data_6580 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6580 _Entry.Title ; assignment of mouse socs3 by NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-04 _Entry.Accession_date 2005-04-05 _Entry.Last_release_date 2005-12-16 _Entry.Original_release_date 2005-12-16 _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 'Assignment of mouse socs3 bound to a phosphotyrosine containing peptide from the gp-130 receptor' _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 Jeffrey Babon . J. . 6580 2 Shenggen Yao . . . 6580 3 David deSouza . P. . 6580 4 Christopher Harrison . F. . 6580 5 Louis Fabri . J. . 6580 6 Edvards Liepinsch . . . 6580 7 Gottfried Otting . . . 6580 8 Manuel Baca . . . 6580 9 Raymond Norton . S. . 6580 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6580 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 478 6580 '15N chemical shifts' 146 6580 '1H chemical shifts' 755 6580 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 . . 2005-12-16 2005-04-04 original author . 6580 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2BBU 'BMRB Entry Tracking System' 6580 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6580 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16302975 _Citation.Full_citation . _Citation.Title ; Secondary structure assignment of mouse SOCS3 by NMR defines the domain boundaries and identifies an unstructured insertion in the SH2 domain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 272 _Citation.Journal_issue 23 _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 6120 _Citation.Page_last 6130 _Citation.Year 2005 _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 Jeffrey Babon . J. . 6580 1 2 Shenggen Yao . . . 6580 1 3 David deSouza . P. . 6580 1 4 Christopher Harrison . F. . 6580 1 5 Louis Fabri . J. . 6580 1 6 Edvards Liepinsh . . . 6580 1 7 Sergio Scrofani . D. . 6580 1 8 Manuel Baca . . . 6580 1 9 Raymond Norton . S. . 6580 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cytokine signalling' 6580 1 Kinase 6580 1 NMR 6580 1 'PEST sequence' 6580 1 'SH2 domain' 6580 1 SOCS 6580 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6580 _Assembly.ID 1 _Assembly.Name 'socs3 bound to a phosphotyrosine peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _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-ligand system' 6580 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 'mouse socs3' 1 $mouse_socs3 . . yes native no no . . . 6580 1 2 'gp130 phosphopeptide' 2 $gp130_phosphopeptide . . yes native no no . . . 6580 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 6580 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cytokine signalling' 6580 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mouse_socs3 _Entity.Sf_category entity _Entity.Sf_framecode mouse_socs3 _Entity.Entry_ID 6580 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mouse socs3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details protein _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LKTFSSKSEYQLVVNAVRKL QESGFYWSAVTGGEANLLLS AEPAGTFLIRDSSDQRHFFT LSVKTQSGTKNLRIQCEGGS FSLQSDPRSTQPVPRFDCVL KLVHHYMPPPGTPSFSLPPT EPSSEVPEQPPAQALPGSTP KRAYYIYSGGEKIPLVLSRP LSSN ; _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2BBU . "Solution Structure Of Mouse Socs3 In Complex With A Phosphopeptide From The Gp130 Receptor" . . . . . 100.00 164 100.00 100.00 1.10e-89 . . . . 6580 1 no DBJ BAC32977 . "unnamed protein product [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no DBJ BAE23929 . "unnamed protein product [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no DBJ BAE29797 . "unnamed protein product [Mus musculus]" . . . . . 100.00 225 99.39 99.39 2.16e-89 . . . . 6580 1 no DBJ BAE30668 . "unnamed protein product [Mus musculus]" . . . . . 100.00 225 99.39 99.39 2.16e-89 . . . . 6580 1 no DBJ BAE31222 . "unnamed protein product [Mus musculus]" . . . . . 100.00 225 99.39 99.39 2.16e-89 . . . . 6580 1 no EMBL CAB56083 . "suppressor of cytokine signaling 3 [Rattus norvegicus]" . . . . . 100.00 225 96.95 96.95 1.03e-86 . . . . 6580 1 no EMBL CAM19105 . "suppressor of cytokine signaling 3 [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no GB AAB62403 . "suppressor of cytokine signalling-3 [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no GB AAC26223 . "suppressor of cytokine signaling-3 [Rattus norvegicus]" . . . . . 100.00 225 96.95 97.56 7.02e-87 . . . . 6580 1 no GB AAH52031 . "Suppressor of cytokine signaling 3 [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no GB AAK60601 . "suppressor of cytokine signaling 3 [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no GB EDL34646 . "suppressor of cytokine signaling 3 [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no REF NP_031733 . "suppressor of cytokine signaling 3 [Mus musculus]" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no REF NP_446017 . "suppressor of cytokine signaling 3 [Rattus norvegicus]" . . . . . 100.00 225 96.95 97.56 7.02e-87 . . . . 6580 1 no SP O35718 . "RecName: Full=Suppressor of cytokine signaling 3; Short=SOCS-3; AltName: Full=Cytokine-inducible SH2 protein 3; Short=CIS-3; Al" . . . . . 100.00 225 100.00 100.00 5.06e-90 . . . . 6580 1 no SP O88583 . "RecName: Full=Suppressor of cytokine signaling 3; Short=SOCS-3; AltName: Full=Cytokine-inducible SH2 protein 3" . . . . . 100.00 225 96.95 97.56 7.02e-87 . . . . 6580 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cytokine signalling' 6580 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID soc3_mouse . 6580 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 22 LEU . 6580 1 2 23 LYS . 6580 1 3 24 THR . 6580 1 4 25 PHE . 6580 1 5 26 SER . 6580 1 6 27 SER . 6580 1 7 28 LYS . 6580 1 8 29 SER . 6580 1 9 30 GLU . 6580 1 10 31 TYR . 6580 1 11 32 GLN . 6580 1 12 33 LEU . 6580 1 13 34 VAL . 6580 1 14 35 VAL . 6580 1 15 36 ASN . 6580 1 16 37 ALA . 6580 1 17 38 VAL . 6580 1 18 39 ARG . 6580 1 19 40 LYS . 6580 1 20 41 LEU . 6580 1 21 42 GLN . 6580 1 22 43 GLU . 6580 1 23 44 SER . 6580 1 24 45 GLY . 6580 1 25 46 PHE . 6580 1 26 47 TYR . 6580 1 27 48 TRP . 6580 1 28 49 SER . 6580 1 29 50 ALA . 6580 1 30 51 VAL . 6580 1 31 52 THR . 6580 1 32 53 GLY . 6580 1 33 54 GLY . 6580 1 34 55 GLU . 6580 1 35 56 ALA . 6580 1 36 57 ASN . 6580 1 37 58 LEU . 6580 1 38 59 LEU . 6580 1 39 60 LEU . 6580 1 40 61 SER . 6580 1 41 62 ALA . 6580 1 42 63 GLU . 6580 1 43 64 PRO . 6580 1 44 65 ALA . 6580 1 45 66 GLY . 6580 1 46 67 THR . 6580 1 47 68 PHE . 6580 1 48 69 LEU . 6580 1 49 70 ILE . 6580 1 50 71 ARG . 6580 1 51 72 ASP . 6580 1 52 73 SER . 6580 1 53 74 SER . 6580 1 54 75 ASP . 6580 1 55 76 GLN . 6580 1 56 77 ARG . 6580 1 57 78 HIS . 6580 1 58 79 PHE . 6580 1 59 80 PHE . 6580 1 60 81 THR . 6580 1 61 82 LEU . 6580 1 62 83 SER . 6580 1 63 84 VAL . 6580 1 64 85 LYS . 6580 1 65 86 THR . 6580 1 66 87 GLN . 6580 1 67 88 SER . 6580 1 68 89 GLY . 6580 1 69 90 THR . 6580 1 70 91 LYS . 6580 1 71 92 ASN . 6580 1 72 93 LEU . 6580 1 73 94 ARG . 6580 1 74 95 ILE . 6580 1 75 96 GLN . 6580 1 76 97 CYS . 6580 1 77 98 GLU . 6580 1 78 99 GLY . 6580 1 79 100 GLY . 6580 1 80 101 SER . 6580 1 81 102 PHE . 6580 1 82 103 SER . 6580 1 83 104 LEU . 6580 1 84 105 GLN . 6580 1 85 106 SER . 6580 1 86 107 ASP . 6580 1 87 108 PRO . 6580 1 88 109 ARG . 6580 1 89 110 SER . 6580 1 90 111 THR . 6580 1 91 112 GLN . 6580 1 92 113 PRO . 6580 1 93 114 VAL . 6580 1 94 115 PRO . 6580 1 95 116 ARG . 6580 1 96 117 PHE . 6580 1 97 118 ASP . 6580 1 98 119 CYS . 6580 1 99 120 VAL . 6580 1 100 121 LEU . 6580 1 101 122 LYS . 6580 1 102 123 LEU . 6580 1 103 124 VAL . 6580 1 104 125 HIS . 6580 1 105 126 HIS . 6580 1 106 127 TYR . 6580 1 107 128 MET . 6580 1 108 129 PRO . 6580 1 109 130 PRO . 6580 1 110 131 PRO . 6580 1 111 132 GLY . 6580 1 112 133 THR . 6580 1 113 134 PRO . 6580 1 114 135 SER . 6580 1 115 136 PHE . 6580 1 116 137 SER . 6580 1 117 138 LEU . 6580 1 118 139 PRO . 6580 1 119 140 PRO . 6580 1 120 141 THR . 6580 1 121 142 GLU . 6580 1 122 143 PRO . 6580 1 123 144 SER . 6580 1 124 145 SER . 6580 1 125 146 GLU . 6580 1 126 147 VAL . 6580 1 127 148 PRO . 6580 1 128 149 GLU . 6580 1 129 150 GLN . 6580 1 130 151 PRO . 6580 1 131 152 PRO . 6580 1 132 153 ALA . 6580 1 133 154 GLN . 6580 1 134 155 ALA . 6580 1 135 156 LEU . 6580 1 136 157 PRO . 6580 1 137 158 GLY . 6580 1 138 159 SER . 6580 1 139 160 THR . 6580 1 140 161 PRO . 6580 1 141 162 LYS . 6580 1 142 163 ARG . 6580 1 143 164 ALA . 6580 1 144 165 TYR . 6580 1 145 166 TYR . 6580 1 146 167 ILE . 6580 1 147 168 TYR . 6580 1 148 169 SER . 6580 1 149 170 GLY . 6580 1 150 171 GLY . 6580 1 151 172 GLU . 6580 1 152 173 LYS . 6580 1 153 174 ILE . 6580 1 154 175 PRO . 6580 1 155 176 LEU . 6580 1 156 177 VAL . 6580 1 157 178 LEU . 6580 1 158 179 SER . 6580 1 159 180 ARG . 6580 1 160 181 PRO . 6580 1 161 182 LEU . 6580 1 162 183 SER . 6580 1 163 184 SER . 6580 1 164 185 ASN . 6580 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 . LEU 1 1 6580 1 . LYS 2 2 6580 1 . THR 3 3 6580 1 . PHE 4 4 6580 1 . SER 5 5 6580 1 . SER 6 6 6580 1 . LYS 7 7 6580 1 . SER 8 8 6580 1 . GLU 9 9 6580 1 . TYR 10 10 6580 1 . GLN 11 11 6580 1 . LEU 12 12 6580 1 . VAL 13 13 6580 1 . VAL 14 14 6580 1 . ASN 15 15 6580 1 . ALA 16 16 6580 1 . VAL 17 17 6580 1 . ARG 18 18 6580 1 . LYS 19 19 6580 1 . LEU 20 20 6580 1 . GLN 21 21 6580 1 . GLU 22 22 6580 1 . SER 23 23 6580 1 . GLY 24 24 6580 1 . PHE 25 25 6580 1 . TYR 26 26 6580 1 . TRP 27 27 6580 1 . SER 28 28 6580 1 . ALA 29 29 6580 1 . VAL 30 30 6580 1 . THR 31 31 6580 1 . GLY 32 32 6580 1 . GLY 33 33 6580 1 . GLU 34 34 6580 1 . ALA 35 35 6580 1 . ASN 36 36 6580 1 . LEU 37 37 6580 1 . LEU 38 38 6580 1 . LEU 39 39 6580 1 . SER 40 40 6580 1 . ALA 41 41 6580 1 . GLU 42 42 6580 1 . PRO 43 43 6580 1 . ALA 44 44 6580 1 . GLY 45 45 6580 1 . THR 46 46 6580 1 . PHE 47 47 6580 1 . LEU 48 48 6580 1 . ILE 49 49 6580 1 . ARG 50 50 6580 1 . ASP 51 51 6580 1 . SER 52 52 6580 1 . SER 53 53 6580 1 . ASP 54 54 6580 1 . GLN 55 55 6580 1 . ARG 56 56 6580 1 . HIS 57 57 6580 1 . PHE 58 58 6580 1 . PHE 59 59 6580 1 . THR 60 60 6580 1 . LEU 61 61 6580 1 . SER 62 62 6580 1 . VAL 63 63 6580 1 . LYS 64 64 6580 1 . THR 65 65 6580 1 . GLN 66 66 6580 1 . SER 67 67 6580 1 . GLY 68 68 6580 1 . THR 69 69 6580 1 . LYS 70 70 6580 1 . ASN 71 71 6580 1 . LEU 72 72 6580 1 . ARG 73 73 6580 1 . ILE 74 74 6580 1 . GLN 75 75 6580 1 . CYS 76 76 6580 1 . GLU 77 77 6580 1 . GLY 78 78 6580 1 . GLY 79 79 6580 1 . SER 80 80 6580 1 . PHE 81 81 6580 1 . SER 82 82 6580 1 . LEU 83 83 6580 1 . GLN 84 84 6580 1 . SER 85 85 6580 1 . ASP 86 86 6580 1 . PRO 87 87 6580 1 . ARG 88 88 6580 1 . SER 89 89 6580 1 . THR 90 90 6580 1 . GLN 91 91 6580 1 . PRO 92 92 6580 1 . VAL 93 93 6580 1 . PRO 94 94 6580 1 . ARG 95 95 6580 1 . PHE 96 96 6580 1 . ASP 97 97 6580 1 . CYS 98 98 6580 1 . VAL 99 99 6580 1 . LEU 100 100 6580 1 . LYS 101 101 6580 1 . LEU 102 102 6580 1 . VAL 103 103 6580 1 . HIS 104 104 6580 1 . HIS 105 105 6580 1 . TYR 106 106 6580 1 . MET 107 107 6580 1 . PRO 108 108 6580 1 . PRO 109 109 6580 1 . PRO 110 110 6580 1 . GLY 111 111 6580 1 . THR 112 112 6580 1 . PRO 113 113 6580 1 . SER 114 114 6580 1 . PHE 115 115 6580 1 . SER 116 116 6580 1 . LEU 117 117 6580 1 . PRO 118 118 6580 1 . PRO 119 119 6580 1 . THR 120 120 6580 1 . GLU 121 121 6580 1 . PRO 122 122 6580 1 . SER 123 123 6580 1 . SER 124 124 6580 1 . GLU 125 125 6580 1 . VAL 126 126 6580 1 . PRO 127 127 6580 1 . GLU 128 128 6580 1 . GLN 129 129 6580 1 . PRO 130 130 6580 1 . PRO 131 131 6580 1 . ALA 132 132 6580 1 . GLN 133 133 6580 1 . ALA 134 134 6580 1 . LEU 135 135 6580 1 . PRO 136 136 6580 1 . GLY 137 137 6580 1 . SER 138 138 6580 1 . THR 139 139 6580 1 . PRO 140 140 6580 1 . LYS 141 141 6580 1 . ARG 142 142 6580 1 . ALA 143 143 6580 1 . TYR 144 144 6580 1 . TYR 145 145 6580 1 . ILE 146 146 6580 1 . TYR 147 147 6580 1 . SER 148 148 6580 1 . GLY 149 149 6580 1 . GLY 150 150 6580 1 . GLU 151 151 6580 1 . LYS 152 152 6580 1 . ILE 153 153 6580 1 . PRO 154 154 6580 1 . LEU 155 155 6580 1 . VAL 156 156 6580 1 . LEU 157 157 6580 1 . SER 158 158 6580 1 . ARG 159 159 6580 1 . PRO 160 160 6580 1 . LEU 161 161 6580 1 . SER 162 162 6580 1 . SER 163 163 6580 1 . ASN 164 164 6580 1 stop_ save_ save_gp130_phosphopeptide _Entity.Sf_category entity _Entity.Sf_framecode gp130_phosphopeptide _Entity.Entry_ID 6580 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'gp130 phosphopeptide' _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 STASTVEXSTVVHSG _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; STASTVEpYSTVVHSG pY=phosphotyrosine ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'peptide from the mouse gp130 receptor' 6580 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 6580 2 2 . THR . 6580 2 3 . ALA . 6580 2 4 . SER . 6580 2 5 . THR . 6580 2 6 . VAL . 6580 2 7 . GLU . 6580 2 8 . PTR . 6580 2 9 . SER . 6580 2 10 . THR . 6580 2 11 . VAL . 6580 2 12 . VAL . 6580 2 13 . HIS . 6580 2 14 . SER . 6580 2 15 . GLY . 6580 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 6580 2 . THR 2 2 6580 2 . ALA 3 3 6580 2 . SER 4 4 6580 2 . THR 5 5 6580 2 . VAL 6 6 6580 2 . GLU 7 7 6580 2 . PTR 8 8 6580 2 . SER 9 9 6580 2 . THR 10 10 6580 2 . VAL 11 11 6580 2 . VAL 12 12 6580 2 . HIS 13 13 6580 2 . SER 14 14 6580 2 . GLY 15 15 6580 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6580 _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 $mouse_socs3 . 10090 organism . 'Mus musculus' 'domestic mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6580 1 2 2 $gp130_phosphopeptide . 10090 organism . 'Mus musculus' 'domestic mouse' . . Eukaryota Metazoa Mus musculua . . . . . . . . . . . . . . . . . . . . . 6580 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 6580 _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 $mouse_socs3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6580 1 2 2 $gp130_phosphopeptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6580 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 6580 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 3 12:30:47 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 6580 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6580 PTR DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 6580 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 6580 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 6580 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 6580 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 6580 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6580 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 6580 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 6580 PTR CA . CA . . C . . S 0 . . . . no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 6580 PTR C . C . . C . . N 0 . . . . no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 6580 PTR O . O . . O . . N 0 . . . . no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 6580 PTR OXT . OXT . . O . . N 0 . . . . no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 6580 PTR CB . CB . . C . . N 0 . . . . no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 6580 PTR CG . CG . . C . . N 0 . . . . yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 6580 PTR CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 6580 PTR CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 6580 PTR CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 6580 PTR CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 6580 PTR CZ . CZ . . C . . N 0 . . . . yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 6580 PTR OH . OH . . O . . N 0 . . . . no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 6580 PTR P . P . . P . . N 0 . . . . no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 6580 PTR O1P . O1P . . O . . N 0 . . . . no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 6580 PTR O2P . O2P . . O . . N 0 . . . . no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 6580 PTR O3P . O3P . . O . . N 0 . . . . no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 6580 PTR H . H . . H . . N 0 . . . . no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 6580 PTR HN2 . HN2 . . H . . N 0 . . . . no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 6580 PTR HA . HA . . H . . N 0 . . . . no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 6580 PTR HXT . HXT . . H . . N 0 . . . . no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 6580 PTR HB2 . HB2 . . H . . N 0 . . . . no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 6580 PTR HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 6580 PTR HD1 . HD1 . . H . . N 0 . . . . no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 6580 PTR HD2 . HD2 . . H . . N 0 . . . . no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 6580 PTR HE1 . HE1 . . H . . N 0 . . . . no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 6580 PTR HE2 . HE2 . . H . . N 0 . . . . no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 6580 PTR HO2P . HO2P . . H . . N 0 . . . . no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 6580 PTR HO3P . HO3P . . H . . N 0 . . . . no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 6580 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 6580 PTR 2 . SING N H no N 2 . 6580 PTR 3 . SING N HN2 no N 3 . 6580 PTR 4 . SING CA C no N 4 . 6580 PTR 5 . SING CA CB no N 5 . 6580 PTR 6 . SING CA HA no N 6 . 6580 PTR 7 . DOUB C O no N 7 . 6580 PTR 8 . SING C OXT no N 8 . 6580 PTR 9 . SING OXT HXT no N 9 . 6580 PTR 10 . SING CB CG no N 10 . 6580 PTR 11 . SING CB HB2 no N 11 . 6580 PTR 12 . SING CB HB3 no N 12 . 6580 PTR 13 . DOUB CG CD1 yes N 13 . 6580 PTR 14 . SING CG CD2 yes N 14 . 6580 PTR 15 . SING CD1 CE1 yes N 15 . 6580 PTR 16 . SING CD1 HD1 no N 16 . 6580 PTR 17 . DOUB CD2 CE2 yes N 17 . 6580 PTR 18 . SING CD2 HD2 no N 18 . 6580 PTR 19 . DOUB CE1 CZ yes N 19 . 6580 PTR 20 . SING CE1 HE1 no N 20 . 6580 PTR 21 . SING CE2 CZ yes N 21 . 6580 PTR 22 . SING CE2 HE2 no N 22 . 6580 PTR 23 . SING CZ OH no N 23 . 6580 PTR 24 . SING OH P no N 24 . 6580 PTR 25 . DOUB P O1P no N 25 . 6580 PTR 26 . SING P O2P no N 26 . 6580 PTR 27 . SING P O3P no N 27 . 6580 PTR 28 . SING O2P HO2P no N 28 . 6580 PTR 29 . SING O3P HO3P no N 29 . 6580 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6580 _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 'mouse socs3' '[U-13C; U-15N]' . . 1 $mouse_socs3 . . . 0.4 0.5 mM . . . . 6580 1 2 'gp130 phosphopeptide' '[U-13C; U-15N]' . . 2 $gp130_phosphopeptide . . . 0.4 0.5 mM . . . . 6580 1 3 water . . . . . . . . . . mM . . . . 6580 1 4 'glutamic acid' . . . . . . . 50 . . mM . . . . 6580 1 5 arginine . . . . . . . 50 . . mM . . . . 6580 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6580 _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 'mouse socs3' [U-13C] . . 1 $mouse_socs3 . . . 0.4 0.5 mM . . . . 6580 2 2 'gp130 phosphopeptide' [U-13C] . . 2 $gp130_phosphopeptide . . . 0.4 0.5 mM . . . . 6580 2 3 water . . . . . . . . . . mM . . . . 6580 2 4 'glutamic acid' . . . . . . . 50 . . mM . . . . 6580 2 5 arginine . . . . . . . 50 . . mM . . . . 6580 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6580 _Sample.ID 3 _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 'mouse socs3' [U-15N] . . 1 $mouse_socs3 . . . 0.4 0.5 mM . . . . 6580 3 2 'gp130 phosphopeptide' [U-15N] . . 2 $gp130_phosphopeptide . . . 0.4 0.5 mM . . . . 6580 3 3 water . . . . . . . . . . mM . . . . 6580 3 4 'glutamic acid' . . . . . . . 50 . . mM . . . . 6580 3 5 arginine . . . . . . . 50 . . mM . . . . 6580 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6580 _Sample.ID 4 _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 'mouse socs3' . . . 1 $mouse_socs3 . . . 0.4 0.5 mM . . . . 6580 4 2 'gp130 phosphopeptide' . . . 2 $gp130_phosphopeptide . . . 0.4 0.5 mM . . . . 6580 4 3 water . . . . . . . . . . mM . . . . 6580 4 4 'glutamic acid' . . . . . . . 50 . . mM . . . . 6580 4 5 arginine . . . . . . . 50 . . mM . . . . 6580 4 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 6580 _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 6.7 0.1 pH 6580 1 temperature 298 0.1 K 6580 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6580 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6580 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _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 6580 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _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 6580 _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 15N-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 2 13C-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 3 13C-NOESY-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 4 13C-HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 5 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 6 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 7 HN(CA)CO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 8 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 9 HCCH-COSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 10 15N-HSQC-NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 11 '2D 1H NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 12 '1H TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6580 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6580 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6580 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6580 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6580 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 6580 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6580 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 LEU H H 1 8.31 0.05 . 1 . . . . 22 LEU H . 6580 1 2 . 1 1 1 1 LEU HA H 1 4.29 0.05 . 1 . . . . 22 LEU HA . 6580 1 3 . 1 1 1 1 LEU HB2 H 1 1.54 0.05 . 1 . . . . 22 LEU HB2 . 6580 1 4 . 1 1 1 1 LEU HB3 H 1 1.54 0.05 . 1 . . . . 22 LEU HB3 . 6580 1 5 . 1 1 1 1 LEU HG H 1 1.34 0.05 . 1 . . . . 22 LEU HG . 6580 1 6 . 1 1 1 1 LEU HD11 H 1 0.78 0.05 . 2 . . . . 22 LEU HD1 . 6580 1 7 . 1 1 1 1 LEU HD12 H 1 0.78 0.05 . 2 . . . . 22 LEU HD1 . 6580 1 8 . 1 1 1 1 LEU HD13 H 1 0.78 0.05 . 2 . . . . 22 LEU HD1 . 6580 1 9 . 1 1 1 1 LEU HD21 H 1 0.82 0.05 . 2 . . . . 22 LEU HD2 . 6580 1 10 . 1 1 1 1 LEU HD22 H 1 0.82 0.05 . 2 . . . . 22 LEU HD2 . 6580 1 11 . 1 1 1 1 LEU HD23 H 1 0.82 0.05 . 2 . . . . 22 LEU HD2 . 6580 1 12 . 1 1 1 1 LEU C C 13 177.1 0.2 . 1 . . . . 22 LEU C . 6580 1 13 . 1 1 1 1 LEU CA C 13 55.6 0.2 . 1 . . . . 22 LEU CA . 6580 1 14 . 1 1 1 1 LEU CB C 13 42.6 0.2 . 1 . . . . 22 LEU CB . 6580 1 15 . 1 1 1 1 LEU N N 15 124.0 0.2 . 1 . . . . 22 LEU N . 6580 1 16 . 1 1 2 2 LYS H H 1 8.15 0.05 . 1 . . . . 23 LYS H . 6580 1 17 . 1 1 2 2 LYS HA H 1 4.29 0.05 . 1 . . . . 23 LYS HA . 6580 1 18 . 1 1 2 2 LYS HB2 H 1 1.49 0.05 . 1 . . . . 23 LYS HB2 . 6580 1 19 . 1 1 2 2 LYS HB3 H 1 1.49 0.05 . 1 . . . . 23 LYS HB3 . 6580 1 20 . 1 1 2 2 LYS HG2 H 1 1.39 0.05 . 1 . . . . 23 LYS HG2 . 6580 1 21 . 1 1 2 2 LYS HG3 H 1 1.39 0.05 . 1 . . . . 23 LYS HG3 . 6580 1 22 . 1 1 2 2 LYS C C 13 175.7 0.2 . 1 . . . . 23 LYS C . 6580 1 23 . 1 1 2 2 LYS CA C 13 55.6 0.2 . 1 . . . . 23 LYS CA . 6580 1 24 . 1 1 2 2 LYS CB C 13 34.0 0.2 . 1 . . . . 23 LYS CB . 6580 1 25 . 1 1 2 2 LYS N N 15 121.5 0.2 . 1 . . . . 23 LYS N . 6580 1 26 . 1 1 3 3 THR H H 1 8.02 0.05 . 1 . . . . 24 THR H . 6580 1 27 . 1 1 3 3 THR HA H 1 4.36 0.05 . 1 . . . . 24 THR HA . 6580 1 28 . 1 1 3 3 THR HB H 1 3.94 0.05 . 1 . . . . 24 THR HB . 6580 1 29 . 1 1 3 3 THR HG21 H 1 1.03 0.05 . 1 . . . . 24 THR HG2 . 6580 1 30 . 1 1 3 3 THR HG22 H 1 1.03 0.05 . 1 . . . . 24 THR HG2 . 6580 1 31 . 1 1 3 3 THR HG23 H 1 1.03 0.05 . 1 . . . . 24 THR HG2 . 6580 1 32 . 1 1 3 3 THR C C 13 173.1 0.2 . 1 . . . . 24 THR C . 6580 1 33 . 1 1 3 3 THR CA C 13 61.6 0.2 . 1 . . . . 24 THR CA . 6580 1 34 . 1 1 3 3 THR N N 15 114.7 0.2 . 1 . . . . 24 THR N . 6580 1 35 . 1 1 4 4 PHE H H 1 8.40 0.05 . 1 . . . . 25 PHE H . 6580 1 36 . 1 1 4 4 PHE HB2 H 1 3.17 0.05 . 2 . . . . 25 PHE HB2 . 6580 1 37 . 1 1 4 4 PHE HB3 H 1 2.87 0.05 . 2 . . . . 25 PHE HB3 . 6580 1 38 . 1 1 4 4 PHE HD1 H 1 7.21 0.05 . 1 . . . . 25 PHE HD1 . 6580 1 39 . 1 1 4 4 PHE HD2 H 1 7.21 0.05 . 1 . . . . 25 PHE HD2 . 6580 1 40 . 1 1 4 4 PHE N N 15 120.9 0.2 . 1 . . . . 25 PHE N . 6580 1 41 . 1 1 8 8 SER C C 13 176.6 0.2 . 1 . . . . 29 SER C . 6580 1 42 . 1 1 8 8 SER CA C 13 61.8 0.2 . 1 . . . . 29 SER CA . 6580 1 43 . 1 1 8 8 SER CB C 13 62.6 0.2 . 1 . . . . 29 SER CB . 6580 1 44 . 1 1 9 9 GLU H H 1 8.00 0.05 . 1 . . . . 30 GLU H . 6580 1 45 . 1 1 9 9 GLU HA H 1 3.93 0.05 . 1 . . . . 30 GLU HA . 6580 1 46 . 1 1 9 9 GLU HB2 H 1 2.07 0.05 . 4 . . . . 30 GLU HB2 . 6580 1 47 . 1 1 9 9 GLU HB3 H 1 2.07 0.05 . 4 . . . . 30 GLU HB3 . 6580 1 48 . 1 1 9 9 GLU HG2 H 1 2.23 0.05 . 4 . . . . 30 GLU HG2 . 6580 1 49 . 1 1 9 9 GLU HG3 H 1 2.23 0.05 . 4 . . . . 30 GLU HG3 . 6580 1 50 . 1 1 9 9 GLU C C 13 176.8 0.2 . 1 . . . . 30 GLU C . 6580 1 51 . 1 1 9 9 GLU CA C 13 59.8 0.2 . 1 . . . . 30 GLU CA . 6580 1 52 . 1 1 9 9 GLU CB C 13 31.4 0.2 . 1 . . . . 30 GLU CB . 6580 1 53 . 1 1 9 9 GLU N N 15 124.7 0.2 . 1 . . . . 30 GLU N . 6580 1 54 . 1 1 10 10 TYR H H 1 7.66 0.05 . 1 . . . . 31 TYR H . 6580 1 55 . 1 1 10 10 TYR HA H 1 3.47 0.05 . 1 . . . . 31 TYR HA . 6580 1 56 . 1 1 10 10 TYR HB2 H 1 2.94 0.05 . 2 . . . . 31 TYR HB2 . 6580 1 57 . 1 1 10 10 TYR HB3 H 1 2.52 0.05 . 2 . . . . 31 TYR HB3 . 6580 1 58 . 1 1 10 10 TYR HD1 H 1 6.52 0.05 . 1 . . . . 31 TYR HD1 . 6580 1 59 . 1 1 10 10 TYR HD2 H 1 6.52 0.05 . 1 . . . . 31 TYR HD2 . 6580 1 60 . 1 1 10 10 TYR HE1 H 1 6.29 0.05 . 1 . . . . 31 TYR HE1 . 6580 1 61 . 1 1 10 10 TYR HE2 H 1 6.29 0.05 . 1 . . . . 31 TYR HE2 . 6580 1 62 . 1 1 10 10 TYR C C 13 175.1 0.2 . 1 . . . . 31 TYR C . 6580 1 63 . 1 1 10 10 TYR CA C 13 60.9 0.2 . 1 . . . . 31 TYR CA . 6580 1 64 . 1 1 10 10 TYR CB C 13 37.8 0.2 . 1 . . . . 31 TYR CB . 6580 1 65 . 1 1 10 10 TYR N N 15 118.4 0.2 . 1 . . . . 31 TYR N . 6580 1 66 . 1 1 11 11 GLN H H 1 8.09 0.05 . 1 . . . . 32 GLN H . 6580 1 67 . 1 1 11 11 GLN HA H 1 3.58 0.05 . 1 . . . . 32 GLN HA . 6580 1 68 . 1 1 11 11 GLN HB2 H 1 2.07 0.05 . 2 . . . . 32 GLN HB2 . 6580 1 69 . 1 1 11 11 GLN HB3 H 1 1.97 0.05 . 2 . . . . 32 GLN HB3 . 6580 1 70 . 1 1 11 11 GLN C C 13 177.9 0.2 . 1 . . . . 32 GLN C . 6580 1 71 . 1 1 11 11 GLN CA C 13 58.6 0.2 . 1 . . . . 32 GLN CA . 6580 1 72 . 1 1 11 11 GLN CB C 13 28.6 0.2 . 1 . . . . 32 GLN CB . 6580 1 73 . 1 1 11 11 GLN N N 15 116.7 0.2 . 1 . . . . 32 GLN N . 6580 1 74 . 1 1 12 12 LEU H H 1 7.73 0.05 . 1 . . . . 33 LEU H . 6580 1 75 . 1 1 12 12 LEU HA H 1 3.58 0.05 . 1 . . . . 33 LEU HA . 6580 1 76 . 1 1 12 12 LEU HB2 H 1 1.67 0.05 . 1 . . . . 33 LEU HB2 . 6580 1 77 . 1 1 12 12 LEU HB3 H 1 1.67 0.05 . 1 . . . . 33 LEU HB3 . 6580 1 78 . 1 1 12 12 LEU HG H 1 1.50 0.05 . 1 . . . . 33 LEU HG . 6580 1 79 . 1 1 12 12 LEU HD11 H 1 0.84 0.05 . 2 . . . . 33 LEU HD1 . 6580 1 80 . 1 1 12 12 LEU HD12 H 1 0.84 0.05 . 2 . . . . 33 LEU HD1 . 6580 1 81 . 1 1 12 12 LEU HD13 H 1 0.84 0.05 . 2 . . . . 33 LEU HD1 . 6580 1 82 . 1 1 12 12 LEU HD21 H 1 0.36 0.05 . 2 . . . . 33 LEU HD2 . 6580 1 83 . 1 1 12 12 LEU HD22 H 1 0.36 0.05 . 2 . . . . 33 LEU HD2 . 6580 1 84 . 1 1 12 12 LEU HD23 H 1 0.36 0.05 . 2 . . . . 33 LEU HD2 . 6580 1 85 . 1 1 12 12 LEU C C 13 179.9 0.2 . 1 . . . . 33 LEU C . 6580 1 86 . 1 1 12 12 LEU CA C 13 58.4 0.2 . 1 . . . . 33 LEU CA . 6580 1 87 . 1 1 12 12 LEU CB C 13 42.6 0.2 . 1 . . . . 33 LEU CB . 6580 1 88 . 1 1 12 12 LEU CG C 13 26.8 0.2 . 1 . . . . 33 LEU CG . 6580 1 89 . 1 1 12 12 LEU CD1 C 13 24.8 0.2 . 2 . . . . 33 LEU CD1 . 6580 1 90 . 1 1 12 12 LEU CD2 C 13 25.9 0.2 . 2 . . . . 33 LEU CD2 . 6580 1 91 . 1 1 12 12 LEU N N 15 120.4 0.2 . 1 . . . . 33 LEU N . 6580 1 92 . 1 1 13 13 VAL H H 1 7.97 0.05 . 1 . . . . 34 VAL H . 6580 1 93 . 1 1 13 13 VAL HA H 1 3.66 0.05 . 1 . . . . 34 VAL HA . 6580 1 94 . 1 1 13 13 VAL HB H 1 1.84 0.05 . 1 . . . . 34 VAL HB . 6580 1 95 . 1 1 13 13 VAL HG11 H 1 0.45 0.05 . 2 . . . . 34 VAL HG1 . 6580 1 96 . 1 1 13 13 VAL HG12 H 1 0.45 0.05 . 2 . . . . 34 VAL HG1 . 6580 1 97 . 1 1 13 13 VAL HG13 H 1 0.45 0.05 . 2 . . . . 34 VAL HG1 . 6580 1 98 . 1 1 13 13 VAL HG21 H 1 0.56 0.05 . 2 . . . . 34 VAL HG2 . 6580 1 99 . 1 1 13 13 VAL HG22 H 1 0.56 0.05 . 2 . . . . 34 VAL HG2 . 6580 1 100 . 1 1 13 13 VAL HG23 H 1 0.56 0.05 . 2 . . . . 34 VAL HG2 . 6580 1 101 . 1 1 13 13 VAL C C 13 177.3 0.2 . 1 . . . . 34 VAL C . 6580 1 102 . 1 1 13 13 VAL CA C 13 67.5 0.2 . 1 . . . . 34 VAL CA . 6580 1 103 . 1 1 13 13 VAL CB C 13 26.2 0.2 . 1 . . . . 34 VAL CB . 6580 1 104 . 1 1 13 13 VAL CG1 C 13 23.4 0.2 . 2 . . . . 34 VAL CG1 . 6580 1 105 . 1 1 13 13 VAL CG2 C 13 21.3 0.2 . 2 . . . . 34 VAL CG2 . 6580 1 106 . 1 1 13 13 VAL N N 15 120.4 0.2 . 1 . . . . 34 VAL N . 6580 1 107 . 1 1 14 14 VAL H H 1 8.33 0.05 . 1 . . . . 35 VAL H . 6580 1 108 . 1 1 14 14 VAL HA H 1 3.48 0.05 . 1 . . . . 35 VAL HA . 6580 1 109 . 1 1 14 14 VAL HB H 1 1.73 0.05 . 1 . . . . 35 VAL HB . 6580 1 110 . 1 1 14 14 VAL HG11 H 1 0.66 0.05 . 2 . . . . 35 VAL HG1 . 6580 1 111 . 1 1 14 14 VAL HG12 H 1 0.66 0.05 . 2 . . . . 35 VAL HG1 . 6580 1 112 . 1 1 14 14 VAL HG13 H 1 0.66 0.05 . 2 . . . . 35 VAL HG1 . 6580 1 113 . 1 1 14 14 VAL HG21 H 1 0.43 0.05 . 2 . . . . 35 VAL HG2 . 6580 1 114 . 1 1 14 14 VAL HG22 H 1 0.43 0.05 . 2 . . . . 35 VAL HG2 . 6580 1 115 . 1 1 14 14 VAL HG23 H 1 0.43 0.05 . 2 . . . . 35 VAL HG2 . 6580 1 116 . 1 1 14 14 VAL C C 13 179.3 0.2 . 1 . . . . 35 VAL C . 6580 1 117 . 1 1 14 14 VAL CA C 13 67.2 0.2 . 1 . . . . 35 VAL CA . 6580 1 118 . 1 1 14 14 VAL CB C 13 31.6 0.2 . 1 . . . . 35 VAL CB . 6580 1 119 . 1 1 14 14 VAL CG1 C 13 21.2 0.2 . 2 . . . . 35 VAL CG1 . 6580 1 120 . 1 1 14 14 VAL CG2 C 13 22.2 0.2 . 2 . . . . 35 VAL CG2 . 6580 1 121 . 1 1 14 14 VAL N N 15 119.9 0.2 . 1 . . . . 35 VAL N . 6580 1 122 . 1 1 15 15 ASN H H 1 7.99 0.05 . 1 . . . . 36 ASN H . 6580 1 123 . 1 1 15 15 ASN HA H 1 4.37 0.05 . 1 . . . . 36 ASN HA . 6580 1 124 . 1 1 15 15 ASN HB2 H 1 2.91 0.05 . 1 . . . . 36 ASN HB2 . 6580 1 125 . 1 1 15 15 ASN HB3 H 1 2.77 0.05 . 1 . . . . 36 ASN HB3 . 6580 1 126 . 1 1 15 15 ASN HD21 H 1 7.72 0.05 . 2 . . . . 36 ASN HD21 . 6580 1 127 . 1 1 15 15 ASN HD22 H 1 6.99 0.05 . 2 . . . . 36 ASN HD22 . 6580 1 128 . 1 1 15 15 ASN C C 13 176.9 0.2 . 1 . . . . 36 ASN C . 6580 1 129 . 1 1 15 15 ASN CA C 13 56.4 0.2 . 1 . . . . 36 ASN CA . 6580 1 130 . 1 1 15 15 ASN CB C 13 38.7 0.2 . 1 . . . . 36 ASN CB . 6580 1 131 . 1 1 15 15 ASN N N 15 118.6 0.2 . 1 . . . . 36 ASN N . 6580 1 132 . 1 1 15 15 ASN ND2 N 15 113.4 0.2 . 1 . . . . 36 ASN ND2 . 6580 1 133 . 1 1 16 16 ALA H H 1 8.05 0.05 . 1 . . . . 37 ALA H . 6580 1 134 . 1 1 16 16 ALA HA H 1 4.25 0.05 . 1 . . . . 37 ALA HA . 6580 1 135 . 1 1 16 16 ALA HB1 H 1 1.50 0.05 . 1 . . . . 37 ALA HB . 6580 1 136 . 1 1 16 16 ALA HB2 H 1 1.50 0.05 . 1 . . . . 37 ALA HB . 6580 1 137 . 1 1 16 16 ALA HB3 H 1 1.50 0.05 . 1 . . . . 37 ALA HB . 6580 1 138 . 1 1 16 16 ALA C C 13 179.8 0.2 . 1 . . . . 37 ALA C . 6580 1 139 . 1 1 16 16 ALA CA C 13 55.6 0.2 . 1 . . . . 37 ALA CA . 6580 1 140 . 1 1 16 16 ALA CB C 13 19.2 0.2 . 1 . . . . 37 ALA CB . 6580 1 141 . 1 1 16 16 ALA N N 15 123.8 0.2 . 1 . . . . 37 ALA N . 6580 1 142 . 1 1 17 17 VAL H H 1 8.77 0.05 . 1 . . . . 38 VAL H . 6580 1 143 . 1 1 17 17 VAL HA H 1 3.13 0.05 . 1 . . . . 38 VAL HA . 6580 1 144 . 1 1 17 17 VAL HB H 1 2.14 0.05 . 1 . . . . 38 VAL HB . 6580 1 145 . 1 1 17 17 VAL HG11 H 1 0.93 0.05 . 2 . . . . 38 VAL HG1 . 6580 1 146 . 1 1 17 17 VAL HG12 H 1 0.93 0.05 . 2 . . . . 38 VAL HG1 . 6580 1 147 . 1 1 17 17 VAL HG13 H 1 0.93 0.05 . 2 . . . . 38 VAL HG1 . 6580 1 148 . 1 1 17 17 VAL HG21 H 1 1.18 0.05 . 2 . . . . 38 VAL HG2 . 6580 1 149 . 1 1 17 17 VAL HG22 H 1 1.18 0.05 . 2 . . . . 38 VAL HG2 . 6580 1 150 . 1 1 17 17 VAL HG23 H 1 1.18 0.05 . 2 . . . . 38 VAL HG2 . 6580 1 151 . 1 1 17 17 VAL C C 13 177.3 0.2 . 1 . . . . 38 VAL C . 6580 1 152 . 1 1 17 17 VAL CA C 13 67.6 0.2 . 1 . . . . 38 VAL CA . 6580 1 153 . 1 1 17 17 VAL CB C 13 31.9 0.2 . 1 . . . . 38 VAL CB . 6580 1 154 . 1 1 17 17 VAL CG1 C 13 21.7 0.2 . 2 . . . . 38 VAL CG1 . 6580 1 155 . 1 1 17 17 VAL CG2 C 13 23.7 0.2 . 2 . . . . 38 VAL CG2 . 6580 1 156 . 1 1 17 17 VAL N N 15 119.0 0.2 . 1 . . . . 38 VAL N . 6580 1 157 . 1 1 18 18 ARG H H 1 7.51 0.05 . 1 . . . . 39 ARG H . 6580 1 158 . 1 1 18 18 ARG HA H 1 4.02 0.05 . 1 . . . . 39 ARG HA . 6580 1 159 . 1 1 18 18 ARG HB2 H 1 1.89 0.05 . 2 . . . . 39 ARG HB2 . 6580 1 160 . 1 1 18 18 ARG C C 13 177.2 0.2 . 1 . . . . 39 ARG C . 6580 1 161 . 1 1 18 18 ARG CA C 13 59.9 0.2 . 1 . . . . 39 ARG CA . 6580 1 162 . 1 1 18 18 ARG CB C 13 30.3 0.2 . 1 . . . . 39 ARG CB . 6580 1 163 . 1 1 18 18 ARG N N 15 119.2 0.2 . 1 . . . . 39 ARG N . 6580 1 164 . 1 1 19 19 LYS H H 1 7.76 0.05 . 1 . . . . 40 LYS H . 6580 1 165 . 1 1 19 19 LYS HA H 1 3.89 0.05 . 1 . . . . 40 LYS HA . 6580 1 166 . 1 1 19 19 LYS HB2 H 1 1.54 0.05 . 2 . . . . 40 LYS HB2 . 6580 1 167 . 1 1 19 19 LYS C C 13 180.1 0.2 . 1 . . . . 40 LYS C . 6580 1 168 . 1 1 19 19 LYS CA C 13 58.8 0.2 . 1 . . . . 40 LYS CA . 6580 1 169 . 1 1 19 19 LYS CB C 13 32.2 0.2 . 1 . . . . 40 LYS CB . 6580 1 170 . 1 1 19 19 LYS N N 15 117.7 0.2 . 1 . . . . 40 LYS N . 6580 1 171 . 1 1 20 20 LEU H H 1 8.66 0.05 . 1 . . . . 41 LEU H . 6580 1 172 . 1 1 20 20 LEU HA H 1 3.50 0.05 . 1 . . . . 41 LEU HA . 6580 1 173 . 1 1 20 20 LEU HB2 H 1 1.30 0.05 . 2 . . . . 41 LEU HB2 . 6580 1 174 . 1 1 20 20 LEU HG H 1 1.09 0.05 . 1 . . . . 41 LEU HG . 6580 1 175 . 1 1 20 20 LEU HD11 H 1 -0.54 0.05 . 2 . . . . 41 LEU HD1 . 6580 1 176 . 1 1 20 20 LEU HD12 H 1 -0.54 0.05 . 2 . . . . 41 LEU HD1 . 6580 1 177 . 1 1 20 20 LEU HD13 H 1 -0.54 0.05 . 2 . . . . 41 LEU HD1 . 6580 1 178 . 1 1 20 20 LEU HD21 H 1 0.23 0.05 . 2 . . . . 41 LEU HD2 . 6580 1 179 . 1 1 20 20 LEU HD22 H 1 0.23 0.05 . 2 . . . . 41 LEU HD2 . 6580 1 180 . 1 1 20 20 LEU HD23 H 1 0.23 0.05 . 2 . . . . 41 LEU HD2 . 6580 1 181 . 1 1 20 20 LEU C C 13 180.6 0.2 . 1 . . . . 41 LEU C . 6580 1 182 . 1 1 20 20 LEU CA C 13 57.7 0.2 . 1 . . . . 41 LEU CA . 6580 1 183 . 1 1 20 20 LEU CB C 13 40.6 0.2 . 1 . . . . 41 LEU CB . 6580 1 184 . 1 1 20 20 LEU CG C 13 26.6 0.2 . 1 . . . . 41 LEU CG . 6580 1 185 . 1 1 20 20 LEU CD1 C 13 24.6 0.2 . 2 . . . . 41 LEU CD1 . 6580 1 186 . 1 1 20 20 LEU CD2 C 13 23.3 0.2 . 2 . . . . 41 LEU CD2 . 6580 1 187 . 1 1 20 20 LEU N N 15 120.7 0.2 . 1 . . . . 41 LEU N . 6580 1 188 . 1 1 21 21 GLN H H 1 8.91 0.05 . 1 . . . . 42 GLN H . 6580 1 189 . 1 1 21 21 GLN HA H 1 4.15 0.05 . 1 . . . . 42 GLN HA . 6580 1 190 . 1 1 21 21 GLN HB2 H 1 2.03 0.05 . 2 . . . . 42 GLN HB2 . 6580 1 191 . 1 1 21 21 GLN HB3 H 1 2.37 0.05 . 2 . . . . 42 GLN HB3 . 6580 1 192 . 1 1 21 21 GLN HG2 H 1 2.64 0.05 . 2 . . . . 42 GLN HG2 . 6580 1 193 . 1 1 21 21 GLN HG3 H 1 2.49 0.05 . 2 . . . . 42 GLN HG3 . 6580 1 194 . 1 1 21 21 GLN HE21 H 1 6.77 0.05 . 2 . . . . 42 GLN HE21 . 6580 1 195 . 1 1 21 21 GLN HE22 H 1 7.41 0.05 . 2 . . . . 42 GLN HE22 . 6580 1 196 . 1 1 21 21 GLN C C 13 178.4 0.2 . 1 . . . . 42 GLN C . 6580 1 197 . 1 1 21 21 GLN CA C 13 59.9 0.2 . 1 . . . . 42 GLN CA . 6580 1 198 . 1 1 21 21 GLN CB C 13 28.4 0.2 . 1 . . . . 42 GLN CB . 6580 1 199 . 1 1 21 21 GLN N N 15 121.5 0.2 . 1 . . . . 42 GLN N . 6580 1 200 . 1 1 21 21 GLN NE2 N 15 110.8 0.2 . 1 . . . . 42 GLN NE2 . 6580 1 201 . 1 1 22 22 GLU H H 1 7.44 0.05 . 1 . . . . 43 GLU H . 6580 1 202 . 1 1 22 22 GLU HA H 1 4.10 0.05 . 1 . . . . 43 GLU HA . 6580 1 203 . 1 1 22 22 GLU HB2 H 1 2.06 0.05 . 2 . . . . 43 GLU HB2 . 6580 1 204 . 1 1 22 22 GLU HB3 H 1 1.96 0.05 . 2 . . . . 43 GLU HB3 . 6580 1 205 . 1 1 22 22 GLU HG2 H 1 2.40 0.05 . 1 . . . . 43 GLU HG2 . 6580 1 206 . 1 1 22 22 GLU HG3 H 1 2.40 0.05 . 1 . . . . 43 GLU HG3 . 6580 1 207 . 1 1 22 22 GLU C C 13 177.7 0.2 . 1 . . . . 43 GLU C . 6580 1 208 . 1 1 22 22 GLU CA C 13 57.7 0.2 . 1 . . . . 43 GLU CA . 6580 1 209 . 1 1 22 22 GLU CB C 13 30.3 0.2 . 1 . . . . 43 GLU CB . 6580 1 210 . 1 1 22 22 GLU N N 15 117.0 0.2 . 1 . . . . 43 GLU N . 6580 1 211 . 1 1 23 23 SER H H 1 7.49 0.05 . 1 . . . . 44 SER H . 6580 1 212 . 1 1 23 23 SER HA H 1 3.97 0.05 . 1 . . . . 44 SER HA . 6580 1 213 . 1 1 23 23 SER HB2 H 1 3.61 0.05 . 1 . . . . 44 SER HB2 . 6580 1 214 . 1 1 23 23 SER HB3 H 1 3.61 0.05 . 1 . . . . 44 SER HB3 . 6580 1 215 . 1 1 23 23 SER C C 13 174.9 0.2 . 1 . . . . 44 SER C . 6580 1 216 . 1 1 23 23 SER CA C 13 61.1 0.2 . 1 . . . . 44 SER CA . 6580 1 217 . 1 1 23 23 SER CB C 13 64.7 0.2 . 1 . . . . 44 SER CB . 6580 1 218 . 1 1 23 23 SER N N 15 115.2 0.2 . 1 . . . . 44 SER N . 6580 1 219 . 1 1 24 24 GLY H H 1 7.36 0.05 . 1 . . . . 45 GLY H . 6580 1 220 . 1 1 24 24 GLY HA2 H 1 4.29 0.05 . 2 . . . . 45 GLY HA2 . 6580 1 221 . 1 1 24 24 GLY HA3 H 1 3.78 0.05 . 2 . . . . 45 GLY HA3 . 6580 1 222 . 1 1 24 24 GLY C C 13 174.3 0.2 . 1 . . . . 45 GLY C . 6580 1 223 . 1 1 24 24 GLY CA C 13 46.4 0.2 . 1 . . . . 45 GLY CA . 6580 1 224 . 1 1 24 24 GLY N N 15 108.6 0.2 . 1 . . . . 45 GLY N . 6580 1 225 . 1 1 25 25 PHE H H 1 7.64 0.05 . 1 . . . . 46 PHE H . 6580 1 226 . 1 1 25 25 PHE HA H 1 5.30 0.05 . 1 . . . . 46 PHE HA . 6580 1 227 . 1 1 25 25 PHE HB2 H 1 2.60 0.05 . 1 . . . . 46 PHE HB2 . 6580 1 228 . 1 1 25 25 PHE HB3 H 1 2.60 0.05 . 1 . . . . 46 PHE HB3 . 6580 1 229 . 1 1 25 25 PHE HD1 H 1 7.02 0.05 . 1 . . . . 46 PHE HD1 . 6580 1 230 . 1 1 25 25 PHE HD2 H 1 7.02 0.05 . 1 . . . . 46 PHE HD2 . 6580 1 231 . 1 1 25 25 PHE HE1 H 1 7.06 0.05 . 1 . . . . 46 PHE HE1 . 6580 1 232 . 1 1 25 25 PHE HE2 H 1 7.06 0.05 . 1 . . . . 46 PHE HE2 . 6580 1 233 . 1 1 25 25 PHE C C 13 173.5 0.2 . 1 . . . . 46 PHE C . 6580 1 234 . 1 1 25 25 PHE CA C 13 56.4 0.2 . 1 . . . . 46 PHE CA . 6580 1 235 . 1 1 25 25 PHE CB C 13 38.7 0.2 . 1 . . . . 46 PHE CB . 6580 1 236 . 1 1 25 25 PHE N N 15 115.6 0.2 . 1 . . . . 46 PHE N . 6580 1 237 . 1 1 26 26 TYR H H 1 7.78 0.05 . 1 . . . . 47 TYR H . 6580 1 238 . 1 1 26 26 TYR HA H 1 5.69 0.05 . 1 . . . . 47 TYR HA . 6580 1 239 . 1 1 26 26 TYR HB2 H 1 2.66 0.05 . 1 . . . . 47 TYR HB2 . 6580 1 240 . 1 1 26 26 TYR HB3 H 1 2.45 0.05 . 1 . . . . 47 TYR HB3 . 6580 1 241 . 1 1 26 26 TYR HD1 H 1 6.74 0.05 . 1 . . . . 47 TYR HD1 . 6580 1 242 . 1 1 26 26 TYR HD2 H 1 6.74 0.05 . 1 . . . . 47 TYR HD2 . 6580 1 243 . 1 1 26 26 TYR HE1 H 1 6.79 0.05 . 1 . . . . 47 TYR HE1 . 6580 1 244 . 1 1 26 26 TYR HE2 H 1 6.79 0.05 . 1 . . . . 47 TYR HE2 . 6580 1 245 . 1 1 26 26 TYR C C 13 175.5 0.2 . 1 . . . . 47 TYR C . 6580 1 246 . 1 1 26 26 TYR CA C 13 54.7 0.2 . 1 . . . . 47 TYR CA . 6580 1 247 . 1 1 26 26 TYR CB C 13 41.6 0.2 . 1 . . . . 47 TYR CB . 6580 1 248 . 1 1 26 26 TYR N N 15 121.3 0.2 . 1 . . . . 47 TYR N . 6580 1 249 . 1 1 27 27 TRP H H 1 9.32 0.05 . 1 . . . . 48 TRP H . 6580 1 250 . 1 1 27 27 TRP HA H 1 4.29 0.05 . 1 . . . . 48 TRP HA . 6580 1 251 . 1 1 27 27 TRP HB2 H 1 3.28 0.05 . 2 . . . . 48 TRP HB2 . 6580 1 252 . 1 1 27 27 TRP HB3 H 1 2.74 0.05 . 2 . . . . 48 TRP HB3 . 6580 1 253 . 1 1 27 27 TRP HD1 H 1 7.40 0.05 . 1 . . . . 48 TRP HD1 . 6580 1 254 . 1 1 27 27 TRP HE1 H 1 9.95 0.05 . 1 . . . . 48 TRP HE1 . 6580 1 255 . 1 1 27 27 TRP HE3 H 1 7.40 0.05 . 1 . . . . 48 TRP HE3 . 6580 1 256 . 1 1 27 27 TRP HZ2 H 1 6.99 0.05 . 1 . . . . 48 TRP HZ2 . 6580 1 257 . 1 1 27 27 TRP HZ3 H 1 6.94 0.05 . 1 . . . . 48 TRP HZ3 . 6580 1 258 . 1 1 27 27 TRP HH2 H 1 7.39 0.05 . 1 . . . . 48 TRP HH2 . 6580 1 259 . 1 1 27 27 TRP C C 13 174.7 0.2 . 1 . . . . 48 TRP C . 6580 1 260 . 1 1 27 27 TRP CA C 13 56.4 0.2 . 1 . . . . 48 TRP CA . 6580 1 261 . 1 1 27 27 TRP CB C 13 28.6 0.2 . 1 . . . . 48 TRP CB . 6580 1 262 . 1 1 27 27 TRP CD1 C 13 126.4 0.2 . 1 . . . . 48 TRP CD1 . 6580 1 263 . 1 1 27 27 TRP CE3 C 13 120.4 0.2 . 1 . . . . 48 TRP CE3 . 6580 1 264 . 1 1 27 27 TRP CZ2 C 13 114.8 0.2 . 1 . . . . 48 TRP CZ2 . 6580 1 265 . 1 1 27 27 TRP CH2 C 13 126.4 0.2 . 1 . . . . 48 TRP CH2 . 6580 1 266 . 1 1 27 27 TRP N N 15 132.9 0.2 . 1 . . . . 48 TRP N . 6580 1 267 . 1 1 27 27 TRP NE1 N 15 128.2 0.2 . 1 . . . . 48 TRP NE1 . 6580 1 268 . 1 1 28 28 SER H H 1 7.01 0.05 . 1 . . . . 49 SER H . 6580 1 269 . 1 1 28 28 SER HA H 1 3.65 0.05 . 1 . . . . 49 SER HA . 6580 1 270 . 1 1 28 28 SER HB2 H 1 3.43 0.05 . 2 . . . . 49 SER HB2 . 6580 1 271 . 1 1 28 28 SER HB3 H 1 3.75 0.05 . 2 . . . . 49 SER HB3 . 6580 1 272 . 1 1 28 28 SER C C 13 174.7 0.2 . 1 . . . . 49 SER C . 6580 1 273 . 1 1 28 28 SER CA C 13 59.4 0.2 . 1 . . . . 49 SER CA . 6580 1 274 . 1 1 28 28 SER CB C 13 63.2 0.2 . 1 . . . . 49 SER CB . 6580 1 275 . 1 1 28 28 SER N N 15 115.6 0.2 . 1 . . . . 49 SER N . 6580 1 276 . 1 1 29 29 ALA H H 1 8.57 0.05 . 1 . . . . 50 ALA H . 6580 1 277 . 1 1 29 29 ALA HA H 1 4.31 0.05 . 1 . . . . 50 ALA HA . 6580 1 278 . 1 1 29 29 ALA HB1 H 1 1.36 0.05 . 1 . . . . 50 ALA HB . 6580 1 279 . 1 1 29 29 ALA HB2 H 1 1.36 0.05 . 1 . . . . 50 ALA HB . 6580 1 280 . 1 1 29 29 ALA HB3 H 1 1.36 0.05 . 1 . . . . 50 ALA HB . 6580 1 281 . 1 1 29 29 ALA C C 13 177.4 0.2 . 1 . . . . 50 ALA C . 6580 1 282 . 1 1 29 29 ALA CA C 13 53.3 0.2 . 1 . . . . 50 ALA CA . 6580 1 283 . 1 1 29 29 ALA CB C 13 18.8 0.2 . 1 . . . . 50 ALA CB . 6580 1 284 . 1 1 29 29 ALA N N 15 124.2 0.2 . 1 . . . . 50 ALA N . 6580 1 285 . 1 1 30 30 VAL H H 1 7.27 0.05 . 1 . . . . 51 VAL H . 6580 1 286 . 1 1 30 30 VAL HA H 1 4.45 0.05 . 1 . . . . 51 VAL HA . 6580 1 287 . 1 1 30 30 VAL HB H 1 2.02 0.05 . 1 . . . . 51 VAL HB . 6580 1 288 . 1 1 30 30 VAL HG11 H 1 0.89 0.05 . 2 . . . . 51 VAL HG1 . 6580 1 289 . 1 1 30 30 VAL HG12 H 1 0.89 0.05 . 2 . . . . 51 VAL HG1 . 6580 1 290 . 1 1 30 30 VAL HG13 H 1 0.89 0.05 . 2 . . . . 51 VAL HG1 . 6580 1 291 . 1 1 30 30 VAL HG21 H 1 0.98 0.05 . 2 . . . . 51 VAL HG2 . 6580 1 292 . 1 1 30 30 VAL HG22 H 1 0.98 0.05 . 2 . . . . 51 VAL HG2 . 6580 1 293 . 1 1 30 30 VAL HG23 H 1 0.98 0.05 . 2 . . . . 51 VAL HG2 . 6580 1 294 . 1 1 30 30 VAL C C 13 175.9 0.2 . 1 . . . . 51 VAL C . 6580 1 295 . 1 1 30 30 VAL CA C 13 62.0 0.2 . 1 . . . . 51 VAL CA . 6580 1 296 . 1 1 30 30 VAL CB C 13 34.1 0.2 . 1 . . . . 51 VAL CB . 6580 1 297 . 1 1 30 30 VAL CG1 C 13 22.3 0.2 . 2 . . . . 51 VAL CG1 . 6580 1 298 . 1 1 30 30 VAL CG2 C 13 22.8 0.2 . 2 . . . . 51 VAL CG2 . 6580 1 299 . 1 1 30 30 VAL N N 15 118.3 0.2 . 1 . . . . 51 VAL N . 6580 1 300 . 1 1 31 31 THR H H 1 8.43 0.05 . 1 . . . . 52 THR H . 6580 1 301 . 1 1 31 31 THR HA H 1 4.54 0.05 . 1 . . . . 52 THR HA . 6580 1 302 . 1 1 31 31 THR HG21 H 1 1.26 0.05 . 1 . . . . 52 THR HG2 . 6580 1 303 . 1 1 31 31 THR HG22 H 1 1.26 0.05 . 1 . . . . 52 THR HG2 . 6580 1 304 . 1 1 31 31 THR HG23 H 1 1.26 0.05 . 1 . . . . 52 THR HG2 . 6580 1 305 . 1 1 31 31 THR C C 13 176.2 0.2 . 1 . . . . 52 THR C . 6580 1 306 . 1 1 31 31 THR CA C 13 60.8 0.2 . 1 . . . . 52 THR CA . 6580 1 307 . 1 1 31 31 THR N N 15 115.8 0.2 . 1 . . . . 52 THR N . 6580 1 308 . 1 1 32 32 GLY H H 1 9.49 0.05 . 1 . . . . 53 GLY H . 6580 1 309 . 1 1 32 32 GLY HA2 H 1 3.75 0.05 . 2 . . . . 53 GLY HA2 . 6580 1 310 . 1 1 32 32 GLY HA3 H 1 3.49 0.05 . 2 . . . . 53 GLY HA3 . 6580 1 311 . 1 1 32 32 GLY C C 13 176.7 0.2 . 1 . . . . 53 GLY C . 6580 1 312 . 1 1 32 32 GLY CA C 13 48.2 0.2 . 1 . . . . 53 GLY CA . 6580 1 313 . 1 1 32 32 GLY N N 15 108.3 0.2 . 1 . . . . 53 GLY N . 6580 1 314 . 1 1 33 33 GLY H H 1 8.79 0.05 . 1 . . . . 54 GLY H . 6580 1 315 . 1 1 33 33 GLY HA2 H 1 3.61 0.05 . 2 . . . . 54 GLY HA2 . 6580 1 316 . 1 1 33 33 GLY HA3 H 1 3.78 0.05 . 2 . . . . 54 GLY HA3 . 6580 1 317 . 1 1 33 33 GLY C C 13 176.8 0.2 . 1 . . . . 54 GLY C . 6580 1 318 . 1 1 33 33 GLY CA C 13 47.2 0.2 . 1 . . . . 54 GLY CA . 6580 1 319 . 1 1 33 33 GLY N N 15 110.8 0.2 . 1 . . . . 54 GLY N . 6580 1 320 . 1 1 34 34 GLU H H 1 7.50 0.05 . 1 . . . . 55 GLU H . 6580 1 321 . 1 1 34 34 GLU HA H 1 3.89 0.05 . 1 . . . . 55 GLU HA . 6580 1 322 . 1 1 34 34 GLU HB2 H 1 2.20 0.05 . 1 . . . . 55 GLU HB2 . 6580 1 323 . 1 1 34 34 GLU HB3 H 1 2.20 0.05 . 1 . . . . 55 GLU HB3 . 6580 1 324 . 1 1 34 34 GLU HG2 H 1 1.85 0.05 . 1 . . . . 55 GLU HG2 . 6580 1 325 . 1 1 34 34 GLU HG3 H 1 1.85 0.05 . 1 . . . . 55 GLU HG3 . 6580 1 326 . 1 1 34 34 GLU C C 13 179.1 0.2 . 1 . . . . 55 GLU C . 6580 1 327 . 1 1 34 34 GLU CA C 13 59.3 0.2 . 1 . . . . 55 GLU CA . 6580 1 328 . 1 1 34 34 GLU CB C 13 30.2 0.2 . 1 . . . . 55 GLU CB . 6580 1 329 . 1 1 34 34 GLU N N 15 122.9 0.2 . 1 . . . . 55 GLU N . 6580 1 330 . 1 1 35 35 ALA H H 1 8.67 0.05 . 1 . . . . 56 ALA H . 6580 1 331 . 1 1 35 35 ALA HA H 1 3.62 0.05 . 1 . . . . 56 ALA HA . 6580 1 332 . 1 1 35 35 ALA HB1 H 1 1.23 0.05 . 1 . . . . 56 ALA HB . 6580 1 333 . 1 1 35 35 ALA HB2 H 1 1.23 0.05 . 1 . . . . 56 ALA HB . 6580 1 334 . 1 1 35 35 ALA HB3 H 1 1.23 0.05 . 1 . . . . 56 ALA HB . 6580 1 335 . 1 1 35 35 ALA C C 13 174.3 0.2 . 1 . . . . 56 ALA C . 6580 1 336 . 1 1 35 35 ALA CA C 13 55.3 0.2 . 1 . . . . 56 ALA CA . 6580 1 337 . 1 1 35 35 ALA CB C 13 17.7 0.2 . 1 . . . . 56 ALA CB . 6580 1 338 . 1 1 35 35 ALA N N 15 122.6 0.2 . 1 . . . . 56 ALA N . 6580 1 339 . 1 1 36 36 ASN H H 1 7.66 0.05 . 1 . . . . 57 ASN H . 6580 1 340 . 1 1 36 36 ASN HA H 1 4.23 0.05 . 1 . . . . 57 ASN HA . 6580 1 341 . 1 1 36 36 ASN HB2 H 1 2.91 0.05 . 1 . . . . 57 ASN HB2 . 6580 1 342 . 1 1 36 36 ASN HB3 H 1 2.75 0.05 . 1 . . . . 57 ASN HB3 . 6580 1 343 . 1 1 36 36 ASN HD21 H 1 6.63 0.05 . 2 . . . . 57 ASN HD21 . 6580 1 344 . 1 1 36 36 ASN HD22 H 1 7.46 0.05 . 2 . . . . 57 ASN HD22 . 6580 1 345 . 1 1 36 36 ASN C C 13 178.3 0.2 . 1 . . . . 57 ASN C . 6580 1 346 . 1 1 36 36 ASN CA C 13 56.0 0.2 . 1 . . . . 57 ASN CA . 6580 1 347 . 1 1 36 36 ASN CB C 13 38.2 0.2 . 1 . . . . 57 ASN CB . 6580 1 348 . 1 1 36 36 ASN N N 15 115.2 0.2 . 1 . . . . 57 ASN N . 6580 1 349 . 1 1 36 36 ASN ND2 N 15 110.9 0.2 . 1 . . . . 57 ASN ND2 . 6580 1 350 . 1 1 37 37 LEU H H 1 7.10 0.05 . 1 . . . . 58 LEU H . 6580 1 351 . 1 1 37 37 LEU HA H 1 4.03 0.05 . 1 . . . . 58 LEU HA . 6580 1 352 . 1 1 37 37 LEU HB2 H 1 1.76 0.05 . 2 . . . . 58 LEU HB2 . 6580 1 353 . 1 1 37 37 LEU HB3 H 1 1.62 0.05 . 2 . . . . 58 LEU HB3 . 6580 1 354 . 1 1 37 37 LEU HG H 1 1.40 0.05 . 1 . . . . 58 LEU HG . 6580 1 355 . 1 1 37 37 LEU HD11 H 1 0.51 0.05 . 2 . . . . 58 LEU HD1 . 6580 1 356 . 1 1 37 37 LEU HD12 H 1 0.51 0.05 . 2 . . . . 58 LEU HD1 . 6580 1 357 . 1 1 37 37 LEU HD13 H 1 0.51 0.05 . 2 . . . . 58 LEU HD1 . 6580 1 358 . 1 1 37 37 LEU HD21 H 1 0.82 0.05 . 2 . . . . 58 LEU HD2 . 6580 1 359 . 1 1 37 37 LEU HD22 H 1 0.82 0.05 . 2 . . . . 58 LEU HD2 . 6580 1 360 . 1 1 37 37 LEU HD23 H 1 0.82 0.05 . 2 . . . . 58 LEU HD2 . 6580 1 361 . 1 1 37 37 LEU C C 13 180.3 0.2 . 1 . . . . 58 LEU C . 6580 1 362 . 1 1 37 37 LEU CA C 13 58.2 0.2 . 1 . . . . 58 LEU CA . 6580 1 363 . 1 1 37 37 LEU CB C 13 42.1 0.2 . 1 . . . . 58 LEU CB . 6580 1 364 . 1 1 37 37 LEU N N 15 119.9 0.2 . 1 . . . . 58 LEU N . 6580 1 365 . 1 1 38 38 LEU H H 1 8.24 0.05 . 1 . . . . 59 LEU H . 6580 1 366 . 1 1 38 38 LEU HA H 1 3.83 0.05 . 1 . . . . 59 LEU HA . 6580 1 367 . 1 1 38 38 LEU HG H 1 1.40 0.05 . 1 . . . . 59 LEU HG . 6580 1 368 . 1 1 38 38 LEU HD11 H 1 0.49 0.05 . 2 . . . . 59 LEU HD1 . 6580 1 369 . 1 1 38 38 LEU HD12 H 1 0.49 0.05 . 2 . . . . 59 LEU HD1 . 6580 1 370 . 1 1 38 38 LEU HD13 H 1 0.49 0.05 . 2 . . . . 59 LEU HD1 . 6580 1 371 . 1 1 38 38 LEU HD21 H 1 0.02 0.05 . 2 . . . . 59 LEU HD2 . 6580 1 372 . 1 1 38 38 LEU HD22 H 1 0.02 0.05 . 2 . . . . 59 LEU HD2 . 6580 1 373 . 1 1 38 38 LEU HD23 H 1 0.02 0.05 . 2 . . . . 59 LEU HD2 . 6580 1 374 . 1 1 38 38 LEU C C 13 179.2 0.2 . 1 . . . . 59 LEU C . 6580 1 375 . 1 1 38 38 LEU CA C 13 58.0 0.2 . 1 . . . . 59 LEU CA . 6580 1 376 . 1 1 38 38 LEU CB C 13 42.8 0.2 . 1 . . . . 59 LEU CB . 6580 1 377 . 1 1 38 38 LEU CG C 13 27.0 0.2 . 1 . . . . 59 LEU CG . 6580 1 378 . 1 1 38 38 LEU CD1 C 13 23.0 0.2 . 2 . . . . 59 LEU CD1 . 6580 1 379 . 1 1 38 38 LEU CD2 C 13 25.4 0.2 . 2 . . . . 59 LEU CD2 . 6580 1 380 . 1 1 38 38 LEU N N 15 121.5 0.2 . 1 . . . . 59 LEU N . 6580 1 381 . 1 1 39 39 LEU H H 1 7.60 0.05 . 1 . . . . 60 LEU H . 6580 1 382 . 1 1 39 39 LEU HA H 1 3.94 0.05 . 1 . . . . 60 LEU HA . 6580 1 383 . 1 1 39 39 LEU HB2 H 1 1.74 0.05 . 2 . . . . 60 LEU HB2 . 6580 1 384 . 1 1 39 39 LEU HB3 H 1 1.61 0.05 . 2 . . . . 60 LEU HB3 . 6580 1 385 . 1 1 39 39 LEU HD11 H 1 0.80 0.05 . 1 . . . . 60 LEU HD1 . 6580 1 386 . 1 1 39 39 LEU HD12 H 1 0.80 0.05 . 1 . . . . 60 LEU HD1 . 6580 1 387 . 1 1 39 39 LEU HD13 H 1 0.80 0.05 . 1 . . . . 60 LEU HD1 . 6580 1 388 . 1 1 39 39 LEU HD21 H 1 0.50 0.05 . 1 . . . . 60 LEU HD2 . 6580 1 389 . 1 1 39 39 LEU HD22 H 1 0.50 0.05 . 1 . . . . 60 LEU HD2 . 6580 1 390 . 1 1 39 39 LEU HD23 H 1 0.50 0.05 . 1 . . . . 60 LEU HD2 . 6580 1 391 . 1 1 39 39 LEU C C 13 178.6 0.2 . 1 . . . . 60 LEU C . 6580 1 392 . 1 1 39 39 LEU CA C 13 55.5 0.2 . 1 . . . . 60 LEU CA . 6580 1 393 . 1 1 39 39 LEU CB C 13 42.4 0.2 . 1 . . . . 60 LEU CB . 6580 1 394 . 1 1 39 39 LEU N N 15 114.5 0.2 . 1 . . . . 60 LEU N . 6580 1 395 . 1 1 40 40 SER H H 1 7.44 0.05 . 1 . . . . 61 SER H . 6580 1 396 . 1 1 40 40 SER HA H 1 3.93 0.05 . 1 . . . . 61 SER HA . 6580 1 397 . 1 1 40 40 SER HB2 H 1 4.05 0.05 . 1 . . . . 61 SER HB2 . 6580 1 398 . 1 1 40 40 SER HB3 H 1 4.05 0.05 . 1 . . . . 61 SER HB3 . 6580 1 399 . 1 1 40 40 SER C C 13 175.7 0.2 . 1 . . . . 61 SER C . 6580 1 400 . 1 1 40 40 SER CA C 13 62.9 0.2 . 1 . . . . 61 SER CA . 6580 1 401 . 1 1 40 40 SER CB C 13 63.9 0.2 . 1 . . . . 61 SER CB . 6580 1 402 . 1 1 40 40 SER N N 15 116.1 0.2 . 1 . . . . 61 SER N . 6580 1 403 . 1 1 41 41 ALA H H 1 8.38 0.05 . 1 . . . . 62 ALA H . 6580 1 404 . 1 1 41 41 ALA HA H 1 4.54 0.05 . 1 . . . . 62 ALA HA . 6580 1 405 . 1 1 41 41 ALA HB1 H 1 1.34 0.05 . 1 . . . . 62 ALA HB . 6580 1 406 . 1 1 41 41 ALA HB2 H 1 1.34 0.05 . 1 . . . . 62 ALA HB . 6580 1 407 . 1 1 41 41 ALA HB3 H 1 1.34 0.05 . 1 . . . . 62 ALA HB . 6580 1 408 . 1 1 41 41 ALA C C 13 177.3 0.2 . 1 . . . . 62 ALA C . 6580 1 409 . 1 1 41 41 ALA CA C 13 51.7 0.2 . 1 . . . . 62 ALA CA . 6580 1 410 . 1 1 41 41 ALA CB C 13 19.2 0.2 . 1 . . . . 62 ALA CB . 6580 1 411 . 1 1 41 41 ALA N N 15 122.2 0.2 . 1 . . . . 62 ALA N . 6580 1 412 . 1 1 42 42 GLU H H 1 7.24 0.05 . 1 . . . . 63 GLU H . 6580 1 413 . 1 1 42 42 GLU HA H 1 4.43 0.05 . 1 . . . . 63 GLU HA . 6580 1 414 . 1 1 42 42 GLU HB2 H 1 2.25 0.05 . 2 . . . . 63 GLU HB2 . 6580 1 415 . 1 1 42 42 GLU HB3 H 1 2.16 0.05 . 2 . . . . 63 GLU HB3 . 6580 1 416 . 1 1 42 42 GLU HG2 H 1 2.33 0.05 . 1 . . . . 63 GLU HG2 . 6580 1 417 . 1 1 42 42 GLU HG3 H 1 2.33 0.05 . 1 . . . . 63 GLU HG3 . 6580 1 418 . 1 1 42 42 GLU CA C 13 53.8 0.2 . 1 . . . . 63 GLU CA . 6580 1 419 . 1 1 42 42 GLU N N 15 118.6 0.2 . 1 . . . . 63 GLU N . 6580 1 420 . 1 1 43 43 PRO HA H 1 4.41 0.05 . 1 . . . . 64 PRO HA . 6580 1 421 . 1 1 43 43 PRO C C 13 177.6 0.2 . 1 . . . . 64 PRO C . 6580 1 422 . 1 1 43 43 PRO CA C 13 62.1 0.2 . 1 . . . . 64 PRO CA . 6580 1 423 . 1 1 43 43 PRO CB C 13 32.8 0.2 . 1 . . . . 64 PRO CB . 6580 1 424 . 1 1 44 44 ALA H H 1 8.77 0.05 . 1 . . . . 65 ALA H . 6580 1 425 . 1 1 44 44 ALA HA H 1 3.66 0.05 . 1 . . . . 65 ALA HA . 6580 1 426 . 1 1 44 44 ALA HB1 H 1 1.23 0.05 . 1 . . . . 65 ALA HB . 6580 1 427 . 1 1 44 44 ALA HB2 H 1 1.23 0.05 . 1 . . . . 65 ALA HB . 6580 1 428 . 1 1 44 44 ALA HB3 H 1 1.23 0.05 . 1 . . . . 65 ALA HB . 6580 1 429 . 1 1 44 44 ALA C C 13 177.5 0.2 . 1 . . . . 65 ALA C . 6580 1 430 . 1 1 44 44 ALA CA C 13 53.9 0.2 . 1 . . . . 65 ALA CA . 6580 1 431 . 1 1 44 44 ALA CB C 13 17.8 0.2 . 1 . . . . 65 ALA CB . 6580 1 432 . 1 1 44 44 ALA N N 15 124.5 0.2 . 1 . . . . 65 ALA N . 6580 1 433 . 1 1 45 45 GLY H H 1 8.94 0.05 . 1 . . . . 66 GLY H . 6580 1 434 . 1 1 45 45 GLY HA2 H 1 3.90 0.05 . 2 . . . . 66 GLY HA2 . 6580 1 435 . 1 1 45 45 GLY HA3 H 1 4.59 0.05 . 2 . . . . 66 GLY HA3 . 6580 1 436 . 1 1 45 45 GLY C C 13 175.1 0.2 . 1 . . . . 66 GLY C . 6580 1 437 . 1 1 45 45 GLY CA C 13 44.5 0.2 . 1 . . . . 66 GLY CA . 6580 1 438 . 1 1 45 45 GLY N N 15 111.1 0.2 . 1 . . . . 66 GLY N . 6580 1 439 . 1 1 46 46 THR H H 1 7.80 0.05 . 1 . . . . 67 THR H . 6580 1 440 . 1 1 46 46 THR HA H 1 5.61 0.05 . 1 . . . . 67 THR HA . 6580 1 441 . 1 1 46 46 THR HB H 1 3.79 0.05 . 1 . . . . 67 THR HB . 6580 1 442 . 1 1 46 46 THR HG21 H 1 1.12 0.05 . 1 . . . . 67 THR HG2 . 6580 1 443 . 1 1 46 46 THR HG22 H 1 1.12 0.05 . 1 . . . . 67 THR HG2 . 6580 1 444 . 1 1 46 46 THR HG23 H 1 1.12 0.05 . 1 . . . . 67 THR HG2 . 6580 1 445 . 1 1 46 46 THR C C 13 173.2 0.2 . 1 . . . . 67 THR C . 6580 1 446 . 1 1 46 46 THR CA C 13 63.2 0.2 . 1 . . . . 67 THR CA . 6580 1 447 . 1 1 46 46 THR N N 15 120.2 0.2 . 1 . . . . 67 THR N . 6580 1 448 . 1 1 47 47 PHE H H 1 8.30 0.05 . 1 . . . . 68 PHE H . 6580 1 449 . 1 1 47 47 PHE HA H 1 5.74 0.05 . 1 . . . . 68 PHE HA . 6580 1 450 . 1 1 47 47 PHE HB2 H 1 2.97 0.05 . 2 . . . . 68 PHE HB2 . 6580 1 451 . 1 1 47 47 PHE HB3 H 1 2.66 0.05 . 2 . . . . 68 PHE HB3 . 6580 1 452 . 1 1 47 47 PHE C C 13 170.7 0.2 . 1 . . . . 68 PHE C . 6580 1 453 . 1 1 47 47 PHE CA C 13 55.6 0.2 . 1 . . . . 68 PHE CA . 6580 1 454 . 1 1 47 47 PHE CB C 13 44.4 0.2 . 1 . . . . 68 PHE CB . 6580 1 455 . 1 1 47 47 PHE N N 15 122.8 0.2 . 1 . . . . 68 PHE N . 6580 1 456 . 1 1 48 48 LEU H H 1 9.20 0.05 . 1 . . . . 69 LEU H . 6580 1 457 . 1 1 48 48 LEU HA H 1 4.84 0.05 . 1 . . . . 69 LEU HA . 6580 1 458 . 1 1 48 48 LEU HB2 H 1 1.54 0.05 . 1 . . . . 69 LEU HB2 . 6580 1 459 . 1 1 48 48 LEU HB3 H 1 1.54 0.05 . 1 . . . . 69 LEU HB3 . 6580 1 460 . 1 1 48 48 LEU HG H 1 1.56 0.05 . 1 . . . . 69 LEU HG . 6580 1 461 . 1 1 48 48 LEU HD11 H 1 -0.05 0.05 . 2 . . . . 69 LEU HD1 . 6580 1 462 . 1 1 48 48 LEU HD12 H 1 -0.05 0.05 . 2 . . . . 69 LEU HD1 . 6580 1 463 . 1 1 48 48 LEU HD13 H 1 -0.05 0.05 . 2 . . . . 69 LEU HD1 . 6580 1 464 . 1 1 48 48 LEU HD21 H 1 0.55 0.05 . 2 . . . . 69 LEU HD2 . 6580 1 465 . 1 1 48 48 LEU HD22 H 1 0.55 0.05 . 2 . . . . 69 LEU HD2 . 6580 1 466 . 1 1 48 48 LEU HD23 H 1 0.55 0.05 . 2 . . . . 69 LEU HD2 . 6580 1 467 . 1 1 48 48 LEU C C 13 174.6 0.2 . 1 . . . . 69 LEU C . 6580 1 468 . 1 1 48 48 LEU CA C 13 54.5 0.2 . 1 . . . . 69 LEU CA . 6580 1 469 . 1 1 48 48 LEU CB C 13 45.2 0.2 . 1 . . . . 69 LEU CB . 6580 1 470 . 1 1 48 48 LEU CG C 13 26.0 0.2 . 1 . . . . 69 LEU CG . 6580 1 471 . 1 1 48 48 LEU CD1 C 13 27.7 0.2 . 2 . . . . 69 LEU CD1 . 6580 1 472 . 1 1 48 48 LEU CD2 C 13 25.3 0.2 . 2 . . . . 69 LEU CD2 . 6580 1 473 . 1 1 48 48 LEU N N 15 114.7 0.2 . 1 . . . . 69 LEU N . 6580 1 474 . 1 1 49 49 ILE H H 1 8.63 0.05 . 1 . . . . 70 ILE H . 6580 1 475 . 1 1 49 49 ILE HA H 1 5.26 0.05 . 1 . . . . 70 ILE HA . 6580 1 476 . 1 1 49 49 ILE HG21 H 1 0.94 0.05 . 1 . . . . 70 ILE HG2 . 6580 1 477 . 1 1 49 49 ILE HG22 H 1 0.94 0.05 . 1 . . . . 70 ILE HG2 . 6580 1 478 . 1 1 49 49 ILE HG23 H 1 0.94 0.05 . 1 . . . . 70 ILE HG2 . 6580 1 479 . 1 1 49 49 ILE HD11 H 1 0.72 0.05 . 1 . . . . 70 ILE HD1 . 6580 1 480 . 1 1 49 49 ILE HD12 H 1 0.72 0.05 . 1 . . . . 70 ILE HD1 . 6580 1 481 . 1 1 49 49 ILE HD13 H 1 0.72 0.05 . 1 . . . . 70 ILE HD1 . 6580 1 482 . 1 1 49 49 ILE C C 13 172.7 0.2 . 1 . . . . 70 ILE C . 6580 1 483 . 1 1 49 49 ILE CA C 13 59.5 0.2 . 1 . . . . 70 ILE CA . 6580 1 484 . 1 1 49 49 ILE CB C 13 39.7 0.2 . 1 . . . . 70 ILE CB . 6580 1 485 . 1 1 49 49 ILE CG2 C 13 18.3 0.2 . 1 . . . . 70 ILE CG2 . 6580 1 486 . 1 1 49 49 ILE CD1 C 13 13.2 0.2 . 1 . . . . 70 ILE CD1 . 6580 1 487 . 1 1 49 49 ILE N N 15 119.7 0.2 . 1 . . . . 70 ILE N . 6580 1 488 . 1 1 50 50 ARG H H 1 9.39 0.05 . 1 . . . . 71 ARG H . 6580 1 489 . 1 1 50 50 ARG HA H 1 5.28 0.05 . 1 . . . . 71 ARG HA . 6580 1 490 . 1 1 50 50 ARG C C 13 174.6 0.2 . 1 . . . . 71 ARG C . 6580 1 491 . 1 1 50 50 ARG CA C 13 53.6 0.2 . 1 . . . . 71 ARG CA . 6580 1 492 . 1 1 50 50 ARG CB C 13 34.2 0.2 . 1 . . . . 71 ARG CB . 6580 1 493 . 1 1 50 50 ARG N N 15 124.9 0.2 . 1 . . . . 71 ARG N . 6580 1 494 . 1 1 51 51 ASP H H 1 8.76 0.05 . 1 . . . . 72 ASP H . 6580 1 495 . 1 1 51 51 ASP HA H 1 5.47 0.05 . 1 . . . . 72 ASP HA . 6580 1 496 . 1 1 51 51 ASP HB2 H 1 2.61 0.05 . 2 . . . . 72 ASP HB2 . 6580 1 497 . 1 1 51 51 ASP HB3 H 1 2.70 0.05 . 2 . . . . 72 ASP HB3 . 6580 1 498 . 1 1 51 51 ASP C C 13 177.5 0.2 . 1 . . . . 72 ASP C . 6580 1 499 . 1 1 51 51 ASP CA C 13 55.4 0.2 . 1 . . . . 72 ASP CA . 6580 1 500 . 1 1 51 51 ASP CB C 13 41.0 0.2 . 1 . . . . 72 ASP CB . 6580 1 501 . 1 1 51 51 ASP N N 15 121.3 0.2 . 1 . . . . 72 ASP N . 6580 1 502 . 1 1 52 52 SER H H 1 7.44 0.05 . 1 . . . . 73 SER H . 6580 1 503 . 1 1 52 52 SER HA H 1 4.62 0.05 . 1 . . . . 73 SER HA . 6580 1 504 . 1 1 52 52 SER C C 13 177.5 0.2 . 1 . . . . 73 SER C . 6580 1 505 . 1 1 52 52 SER CA C 13 57.3 0.2 . 1 . . . . 73 SER CA . 6580 1 506 . 1 1 52 52 SER N N 15 115.2 0.2 . 1 . . . . 73 SER N . 6580 1 507 . 1 1 53 53 SER H H 1 10.48 0.05 . 1 . . . . 74 SER H . 6580 1 508 . 1 1 53 53 SER HA H 1 4.32 0.05 . 1 . . . . 74 SER HA . 6580 1 509 . 1 1 53 53 SER HB2 H 1 4.20 0.05 . 1 . . . . 74 SER HB2 . 6580 1 510 . 1 1 53 53 SER HB3 H 1 4.20 0.05 . 1 . . . . 74 SER HB3 . 6580 1 511 . 1 1 53 53 SER C C 13 174.0 0.2 . 1 . . . . 74 SER C . 6580 1 512 . 1 1 53 53 SER CA C 13 60.5 0.2 . 1 . . . . 74 SER CA . 6580 1 513 . 1 1 53 53 SER CB C 13 64.0 0.2 . 1 . . . . 74 SER CB . 6580 1 514 . 1 1 53 53 SER N N 15 128.3 0.2 . 1 . . . . 74 SER N . 6580 1 515 . 1 1 54 54 ASP H H 1 8.56 0.05 . 1 . . . . 75 ASP H . 6580 1 516 . 1 1 54 54 ASP HA H 1 4.44 0.05 . 1 . . . . 75 ASP HA . 6580 1 517 . 1 1 54 54 ASP HB2 H 1 2.44 0.05 . 1 . . . . 75 ASP HB2 . 6580 1 518 . 1 1 54 54 ASP HB3 H 1 2.44 0.05 . 1 . . . . 75 ASP HB3 . 6580 1 519 . 1 1 54 54 ASP C C 13 176.5 0.2 . 1 . . . . 75 ASP C . 6580 1 520 . 1 1 54 54 ASP CA C 13 54.7 0.2 . 1 . . . . 75 ASP CA . 6580 1 521 . 1 1 54 54 ASP CB C 13 37.2 0.2 . 1 . . . . 75 ASP CB . 6580 1 522 . 1 1 54 54 ASP N N 15 125.4 0.2 . 1 . . . . 75 ASP N . 6580 1 523 . 1 1 55 55 GLN H H 1 8.53 0.05 . 1 . . . . 76 GLN H . 6580 1 524 . 1 1 55 55 GLN HA H 1 3.91 0.05 . 1 . . . . 76 GLN HA . 6580 1 525 . 1 1 55 55 GLN HB2 H 1 1.96 0.05 . 1 . . . . 76 GLN HB2 . 6580 1 526 . 1 1 55 55 GLN HB3 H 1 1.96 0.05 . 1 . . . . 76 GLN HB3 . 6580 1 527 . 1 1 55 55 GLN HG2 H 1 2.33 0.05 . 1 . . . . 76 GLN HG2 . 6580 1 528 . 1 1 55 55 GLN HG3 H 1 2.33 0.05 . 1 . . . . 76 GLN HG3 . 6580 1 529 . 1 1 55 55 GLN C C 13 175.6 0.2 . 1 . . . . 76 GLN C . 6580 1 530 . 1 1 55 55 GLN CA C 13 58.8 0.2 . 1 . . . . 76 GLN CA . 6580 1 531 . 1 1 55 55 GLN CB C 13 29.3 0.2 . 1 . . . . 76 GLN CB . 6580 1 532 . 1 1 55 55 GLN N N 15 122.9 0.2 . 1 . . . . 76 GLN N . 6580 1 533 . 1 1 56 56 ARG H H 1 7.95 0.05 . 1 . . . . 77 ARG H . 6580 1 534 . 1 1 56 56 ARG HA H 1 4.09 0.05 . 1 . . . . 77 ARG HA . 6580 1 535 . 1 1 56 56 ARG C C 13 175.0 0.2 . 1 . . . . 77 ARG C . 6580 1 536 . 1 1 56 56 ARG CA C 13 55.4 0.2 . 1 . . . . 77 ARG CA . 6580 1 537 . 1 1 56 56 ARG CB C 13 30.3 0.2 . 1 . . . . 77 ARG CB . 6580 1 538 . 1 1 56 56 ARG N N 15 114.7 0.2 . 1 . . . . 77 ARG N . 6580 1 539 . 1 1 57 57 HIS H H 1 7.42 0.05 . 1 . . . . 78 HIS H . 6580 1 540 . 1 1 57 57 HIS HA H 1 4.54 0.05 . 1 . . . . 78 HIS HA . 6580 1 541 . 1 1 57 57 HIS HB2 H 1 3.10 0.05 . 2 . . . . 78 HIS HB2 . 6580 1 542 . 1 1 57 57 HIS HB3 H 1 2.79 0.05 . 2 . . . . 78 HIS HB3 . 6580 1 543 . 1 1 57 57 HIS C C 13 173.3 0.2 . 1 . . . . 78 HIS C . 6580 1 544 . 1 1 57 57 HIS CA C 13 56.1 0.2 . 1 . . . . 78 HIS CA . 6580 1 545 . 1 1 57 57 HIS CB C 13 32.7 0.2 . 1 . . . . 78 HIS CB . 6580 1 546 . 1 1 57 57 HIS N N 15 115.8 0.2 . 1 . . . . 78 HIS N . 6580 1 547 . 1 1 58 58 PHE H H 1 9.44 0.05 . 1 . . . . 79 PHE H . 6580 1 548 . 1 1 58 58 PHE HA H 1 4.33 0.05 . 1 . . . . 79 PHE HA . 6580 1 549 . 1 1 58 58 PHE HB2 H 1 2.81 0.05 . 2 . . . . 79 PHE HB2 . 6580 1 550 . 1 1 58 58 PHE HB3 H 1 2.28 0.05 . 2 . . . . 79 PHE HB3 . 6580 1 551 . 1 1 58 58 PHE HD1 H 1 6.96 0.05 . 1 . . . . 79 PHE HD1 . 6580 1 552 . 1 1 58 58 PHE HD2 H 1 6.96 0.05 . 1 . . . . 79 PHE HD2 . 6580 1 553 . 1 1 58 58 PHE C C 13 176.7 0.2 . 1 . . . . 79 PHE C . 6580 1 554 . 1 1 58 58 PHE CA C 13 55.9 0.2 . 1 . . . . 79 PHE CA . 6580 1 555 . 1 1 58 58 PHE CB C 13 40.3 0.2 . 1 . . . . 79 PHE CB . 6580 1 556 . 1 1 58 58 PHE N N 15 117.5 0.2 . 1 . . . . 79 PHE N . 6580 1 557 . 1 1 59 59 PHE H H 1 7.26 0.05 . 1 . . . . 80 PHE H . 6580 1 558 . 1 1 59 59 PHE HA H 1 5.86 0.05 . 1 . . . . 80 PHE HA . 6580 1 559 . 1 1 59 59 PHE HB2 H 1 3.28 0.05 . 2 . . . . 80 PHE HB2 . 6580 1 560 . 1 1 59 59 PHE HB3 H 1 2.60 0.05 . 2 . . . . 80 PHE HB3 . 6580 1 561 . 1 1 59 59 PHE HD1 H 1 7.11 0.05 . 1 . . . . 80 PHE HD1 . 6580 1 562 . 1 1 59 59 PHE HD2 H 1 7.11 0.05 . 1 . . . . 80 PHE HD2 . 6580 1 563 . 1 1 59 59 PHE HE1 H 1 7.04 0.05 . 1 . . . . 80 PHE HE1 . 6580 1 564 . 1 1 59 59 PHE HE2 H 1 7.04 0.05 . 1 . . . . 80 PHE HE2 . 6580 1 565 . 1 1 59 59 PHE C C 13 172.6 0.2 . 1 . . . . 80 PHE C . 6580 1 566 . 1 1 59 59 PHE CA C 13 55.6 0.2 . 1 . . . . 80 PHE CA . 6580 1 567 . 1 1 59 59 PHE CB C 13 45.5 0.2 . 1 . . . . 80 PHE CB . 6580 1 568 . 1 1 59 59 PHE N N 15 114.7 0.2 . 1 . . . . 80 PHE N . 6580 1 569 . 1 1 60 60 THR H H 1 9.28 0.05 . 1 . . . . 81 THR H . 6580 1 570 . 1 1 60 60 THR HA H 1 4.74 0.05 . 1 . . . . 81 THR HA . 6580 1 571 . 1 1 60 60 THR HB H 1 4.48 0.05 . 1 . . . . 81 THR HB . 6580 1 572 . 1 1 60 60 THR HG21 H 1 1.13 0.05 . 1 . . . . 81 THR HG2 . 6580 1 573 . 1 1 60 60 THR HG22 H 1 1.13 0.05 . 1 . . . . 81 THR HG2 . 6580 1 574 . 1 1 60 60 THR HG23 H 1 1.13 0.05 . 1 . . . . 81 THR HG2 . 6580 1 575 . 1 1 60 60 THR C C 13 171.5 0.2 . 1 . . . . 81 THR C . 6580 1 576 . 1 1 60 60 THR CA C 13 62.5 0.2 . 1 . . . . 81 THR CA . 6580 1 577 . 1 1 60 60 THR CB C 13 67.8 0.2 . 1 . . . . 81 THR CB . 6580 1 578 . 1 1 60 60 THR N N 15 118.6 0.2 . 1 . . . . 81 THR N . 6580 1 579 . 1 1 61 61 LEU H H 1 9.29 0.05 . 1 . . . . 82 LEU H . 6580 1 580 . 1 1 61 61 LEU HA H 1 5.04 0.05 . 1 . . . . 82 LEU HA . 6580 1 581 . 1 1 61 61 LEU HB2 H 1 1.75 0.05 . 2 . . . . 82 LEU HB2 . 6580 1 582 . 1 1 61 61 LEU HB3 H 1 1.49 0.05 . 2 . . . . 82 LEU HB3 . 6580 1 583 . 1 1 61 61 LEU HG H 1 1.37 0.05 . 1 . . . . 82 LEU HG . 6580 1 584 . 1 1 61 61 LEU HD11 H 1 0.59 0.05 . 2 . . . . 82 LEU HD1 . 6580 1 585 . 1 1 61 61 LEU HD12 H 1 0.59 0.05 . 2 . . . . 82 LEU HD1 . 6580 1 586 . 1 1 61 61 LEU HD13 H 1 0.59 0.05 . 2 . . . . 82 LEU HD1 . 6580 1 587 . 1 1 61 61 LEU HD21 H 1 0.56 0.05 . 2 . . . . 82 LEU HD2 . 6580 1 588 . 1 1 61 61 LEU HD22 H 1 0.56 0.05 . 2 . . . . 82 LEU HD2 . 6580 1 589 . 1 1 61 61 LEU HD23 H 1 0.56 0.05 . 2 . . . . 82 LEU HD2 . 6580 1 590 . 1 1 61 61 LEU C C 13 174.8 0.2 . 1 . . . . 82 LEU C . 6580 1 591 . 1 1 61 61 LEU CA C 13 54.2 0.2 . 1 . . . . 82 LEU CA . 6580 1 592 . 1 1 61 61 LEU CB C 13 45.0 0.2 . 1 . . . . 82 LEU CB . 6580 1 593 . 1 1 61 61 LEU CG C 13 27.8 0.2 . 1 . . . . 82 LEU CG . 6580 1 594 . 1 1 61 61 LEU CD1 C 13 26.0 0.2 . 2 . . . . 82 LEU CD1 . 6580 1 595 . 1 1 61 61 LEU CD2 C 13 26.2 0.2 . 2 . . . . 82 LEU CD2 . 6580 1 596 . 1 1 61 61 LEU N N 15 128.5 0.2 . 1 . . . . 82 LEU N . 6580 1 597 . 1 1 62 62 SER H H 1 8.87 0.05 . 1 . . . . 83 SER H . 6580 1 598 . 1 1 62 62 SER HA H 1 5.15 0.05 . 1 . . . . 83 SER HA . 6580 1 599 . 1 1 62 62 SER HB2 H 1 3.40 0.05 . 2 . . . . 83 SER HB2 . 6580 1 600 . 1 1 62 62 SER HB3 H 1 3.12 0.05 . 2 . . . . 83 SER HB3 . 6580 1 601 . 1 1 62 62 SER C C 13 171.8 0.2 . 1 . . . . 83 SER C . 6580 1 602 . 1 1 62 62 SER CA C 13 58.9 0.2 . 1 . . . . 83 SER CA . 6580 1 603 . 1 1 62 62 SER CB C 13 63.6 0.2 . 1 . . . . 83 SER CB . 6580 1 604 . 1 1 62 62 SER N N 15 124.2 0.2 . 1 . . . . 83 SER N . 6580 1 605 . 1 1 63 63 VAL H H 1 9.03 0.05 . 1 . . . . 84 VAL H . 6580 1 606 . 1 1 63 63 VAL HA H 1 4.85 0.05 . 1 . . . . 84 VAL HA . 6580 1 607 . 1 1 63 63 VAL HB H 1 1.62 0.05 . 1 . . . . 84 VAL HB . 6580 1 608 . 1 1 63 63 VAL HG11 H 1 0.69 0.05 . 2 . . . . 84 VAL HG1 . 6580 1 609 . 1 1 63 63 VAL HG12 H 1 0.69 0.05 . 2 . . . . 84 VAL HG1 . 6580 1 610 . 1 1 63 63 VAL HG13 H 1 0.69 0.05 . 2 . . . . 84 VAL HG1 . 6580 1 611 . 1 1 63 63 VAL HG21 H 1 0.60 0.05 . 2 . . . . 84 VAL HG2 . 6580 1 612 . 1 1 63 63 VAL HG22 H 1 0.60 0.05 . 2 . . . . 84 VAL HG2 . 6580 1 613 . 1 1 63 63 VAL HG23 H 1 0.60 0.05 . 2 . . . . 84 VAL HG2 . 6580 1 614 . 1 1 63 63 VAL C C 13 173.0 0.2 . 1 . . . . 84 VAL C . 6580 1 615 . 1 1 63 63 VAL CA C 13 58.8 0.2 . 1 . . . . 84 VAL CA . 6580 1 616 . 1 1 63 63 VAL CB C 13 36.3 0.2 . 1 . . . . 84 VAL CB . 6580 1 617 . 1 1 63 63 VAL CG1 C 13 21.9 0.2 . 2 . . . . 84 VAL CG1 . 6580 1 618 . 1 1 63 63 VAL CG2 C 13 18.8 0.2 . 2 . . . . 84 VAL CG2 . 6580 1 619 . 1 1 63 63 VAL N N 15 122.2 0.2 . 1 . . . . 84 VAL N . 6580 1 620 . 1 1 64 64 LYS H H 1 9.26 0.05 . 1 . . . . 85 LYS H . 6580 1 621 . 1 1 64 64 LYS HA H 1 5.04 0.05 . 1 . . . . 85 LYS HA . 6580 1 622 . 1 1 64 64 LYS HB2 H 1 1.76 0.05 . 2 . . . . 85 LYS HB2 . 6580 1 623 . 1 1 64 64 LYS C C 13 175.3 0.2 . 1 . . . . 85 LYS C . 6580 1 624 . 1 1 64 64 LYS CA C 13 55.6 0.2 . 1 . . . . 85 LYS CA . 6580 1 625 . 1 1 64 64 LYS CB C 13 29.4 0.2 . 1 . . . . 85 LYS CB . 6580 1 626 . 1 1 64 64 LYS N N 15 128.5 0.2 . 1 . . . . 85 LYS N . 6580 1 627 . 1 1 65 65 THR H H 1 7.94 0.05 . 1 . . . . 86 THR H . 6580 1 628 . 1 1 65 65 THR HA H 1 4.99 0.05 . 1 . . . . 86 THR HA . 6580 1 629 . 1 1 65 65 THR HG21 H 1 1.11 0.05 . 1 . . . . 86 THR HG2 . 6580 1 630 . 1 1 65 65 THR HG22 H 1 1.11 0.05 . 1 . . . . 86 THR HG2 . 6580 1 631 . 1 1 65 65 THR HG23 H 1 1.11 0.05 . 1 . . . . 86 THR HG2 . 6580 1 632 . 1 1 65 65 THR C C 13 172.6 0.2 . 1 . . . . 86 THR C . 6580 1 633 . 1 1 65 65 THR CA C 13 60.5 0.2 . 1 . . . . 86 THR CA . 6580 1 634 . 1 1 65 65 THR N N 15 122.2 0.2 . 1 . . . . 86 THR N . 6580 1 635 . 1 1 66 66 GLN H H 1 9.24 0.05 . 1 . . . . 87 GLN H . 6580 1 636 . 1 1 66 66 GLN HA H 1 4.20 0.05 . 1 . . . . 87 GLN HA . 6580 1 637 . 1 1 66 66 GLN HB2 H 1 2.12 0.05 . 1 . . . . 87 GLN HB2 . 6580 1 638 . 1 1 66 66 GLN HB3 H 1 2.12 0.05 . 1 . . . . 87 GLN HB3 . 6580 1 639 . 1 1 66 66 GLN C C 13 176.0 0.2 . 1 . . . . 87 GLN C . 6580 1 640 . 1 1 66 66 GLN CA C 13 58.4 0.2 . 1 . . . . 87 GLN CA . 6580 1 641 . 1 1 66 66 GLN CB C 13 28.9 0.2 . 1 . . . . 87 GLN CB . 6580 1 642 . 1 1 66 66 GLN N N 15 118.3 0.2 . 1 . . . . 87 GLN N . 6580 1 643 . 1 1 67 67 SER H H 1 8.21 0.05 . 1 . . . . 88 SER H . 6580 1 644 . 1 1 67 67 SER HA H 1 4.64 0.05 . 1 . . . . 88 SER HA . 6580 1 645 . 1 1 67 67 SER HB2 H 1 3.91 0.05 . 2 . . . . 88 SER HB2 . 6580 1 646 . 1 1 67 67 SER HB3 H 1 3.57 0.05 . 2 . . . . 88 SER HB3 . 6580 1 647 . 1 1 67 67 SER C C 13 173.4 0.2 . 1 . . . . 88 SER C . 6580 1 648 . 1 1 67 67 SER CA C 13 56.9 0.2 . 1 . . . . 88 SER CA . 6580 1 649 . 1 1 67 67 SER CB C 13 63.9 0.2 . 1 . . . . 88 SER CB . 6580 1 650 . 1 1 67 67 SER N N 15 113.8 0.2 . 1 . . . . 88 SER N . 6580 1 651 . 1 1 68 68 GLY H H 1 7.32 0.05 . 1 . . . . 89 GLY H . 6580 1 652 . 1 1 68 68 GLY HA2 H 1 4.66 0.05 . 2 . . . . 89 GLY HA2 . 6580 1 653 . 1 1 68 68 GLY HA3 H 1 3.75 0.05 . 2 . . . . 89 GLY HA3 . 6580 1 654 . 1 1 68 68 GLY C C 13 175.4 0.2 . 1 . . . . 89 GLY C . 6580 1 655 . 1 1 68 68 GLY CA C 13 43.8 0.2 . 1 . . . . 89 GLY CA . 6580 1 656 . 1 1 68 68 GLY N N 15 108.1 0.2 . 1 . . . . 89 GLY N . 6580 1 657 . 1 1 69 69 THR H H 1 9.01 0.05 . 1 . . . . 90 THR H . 6580 1 658 . 1 1 69 69 THR HA H 1 4.39 0.05 . 1 . . . . 90 THR HA . 6580 1 659 . 1 1 69 69 THR HB H 1 3.91 0.05 . 1 . . . . 90 THR HB . 6580 1 660 . 1 1 69 69 THR HG21 H 1 1.25 0.05 . 1 . . . . 90 THR HG2 . 6580 1 661 . 1 1 69 69 THR HG22 H 1 1.25 0.05 . 1 . . . . 90 THR HG2 . 6580 1 662 . 1 1 69 69 THR HG23 H 1 1.25 0.05 . 1 . . . . 90 THR HG2 . 6580 1 663 . 1 1 69 69 THR C C 13 174.8 0.2 . 1 . . . . 90 THR C . 6580 1 664 . 1 1 69 69 THR CA C 13 64.6 0.2 . 1 . . . . 90 THR CA . 6580 1 665 . 1 1 69 69 THR CB C 13 68.4 0.2 . 1 . . . . 90 THR CB . 6580 1 666 . 1 1 69 69 THR N N 15 122.6 0.2 . 1 . . . . 90 THR N . 6580 1 667 . 1 1 70 70 LYS H H 1 9.26 0.05 . 1 . . . . 91 LYS H . 6580 1 668 . 1 1 70 70 LYS HA H 1 4.72 0.05 . 1 . . . . 91 LYS HA . 6580 1 669 . 1 1 70 70 LYS C C 13 174.1 0.2 . 1 . . . . 91 LYS C . 6580 1 670 . 1 1 70 70 LYS CA C 13 52.7 0.2 . 1 . . . . 91 LYS CA . 6580 1 671 . 1 1 70 70 LYS CB C 13 34.2 0.2 . 1 . . . . 91 LYS CB . 6580 1 672 . 1 1 70 70 LYS N N 15 127.0 0.2 . 1 . . . . 91 LYS N . 6580 1 673 . 1 1 71 71 ASN H H 1 7.99 0.05 . 1 . . . . 92 ASN H . 6580 1 674 . 1 1 71 71 ASN HA H 1 5.38 0.05 . 1 . . . . 92 ASN HA . 6580 1 675 . 1 1 71 71 ASN C C 13 172.3 0.2 . 1 . . . . 92 ASN C . 6580 1 676 . 1 1 71 71 ASN CA C 13 52.7 0.2 . 1 . . . . 92 ASN CA . 6580 1 677 . 1 1 71 71 ASN CB C 13 42.2 0.2 . 1 . . . . 92 ASN CB . 6580 1 678 . 1 1 71 71 ASN N N 15 118.6 0.2 . 1 . . . . 92 ASN N . 6580 1 679 . 1 1 72 72 LEU H H 1 9.54 0.05 . 1 . . . . 93 LEU H . 6580 1 680 . 1 1 72 72 LEU HA H 1 4.94 0.05 . 1 . . . . 93 LEU HA . 6580 1 681 . 1 1 72 72 LEU HB2 H 1 1.76 0.05 . 2 . . . . 93 LEU HB2 . 6580 1 682 . 1 1 72 72 LEU HB3 H 1 1.52 0.05 . 2 . . . . 93 LEU HB3 . 6580 1 683 . 1 1 72 72 LEU HG H 1 1.38 0.05 . 1 . . . . 93 LEU HG . 6580 1 684 . 1 1 72 72 LEU HD11 H 1 0.50 0.05 . 2 . . . . 93 LEU HD1 . 6580 1 685 . 1 1 72 72 LEU HD12 H 1 0.50 0.05 . 2 . . . . 93 LEU HD1 . 6580 1 686 . 1 1 72 72 LEU HD13 H 1 0.50 0.05 . 2 . . . . 93 LEU HD1 . 6580 1 687 . 1 1 72 72 LEU HD21 H 1 0.54 0.05 . 2 . . . . 93 LEU HD2 . 6580 1 688 . 1 1 72 72 LEU HD22 H 1 0.54 0.05 . 2 . . . . 93 LEU HD2 . 6580 1 689 . 1 1 72 72 LEU HD23 H 1 0.54 0.05 . 2 . . . . 93 LEU HD2 . 6580 1 690 . 1 1 72 72 LEU C C 13 175.6 0.2 . 1 . . . . 93 LEU C . 6580 1 691 . 1 1 72 72 LEU CA C 13 53.0 0.2 . 1 . . . . 93 LEU CA . 6580 1 692 . 1 1 72 72 LEU CB C 13 43.5 0.2 . 1 . . . . 93 LEU CB . 6580 1 693 . 1 1 72 72 LEU CD1 C 13 26.3 0.2 . 2 . . . . 93 LEU CD1 . 6580 1 694 . 1 1 72 72 LEU CD2 C 13 25.8 0.2 . 2 . . . . 93 LEU CD2 . 6580 1 695 . 1 1 72 72 LEU N N 15 124.0 0.2 . 1 . . . . 93 LEU N . 6580 1 696 . 1 1 73 73 ARG H H 1 9.49 0.05 . 1 . . . . 94 ARG H . 6580 1 697 . 1 1 73 73 ARG HA H 1 4.51 0.05 . 1 . . . . 94 ARG HA . 6580 1 698 . 1 1 73 73 ARG HB2 H 1 2.11 0.05 . 1 . . . . 94 ARG HB2 . 6580 1 699 . 1 1 73 73 ARG HB3 H 1 2.11 0.05 . 1 . . . . 94 ARG HB3 . 6580 1 700 . 1 1 73 73 ARG C C 13 175.7 0.2 . 1 . . . . 94 ARG C . 6580 1 701 . 1 1 73 73 ARG CA C 13 58.9 0.2 . 1 . . . . 94 ARG CA . 6580 1 702 . 1 1 73 73 ARG CB C 13 31.5 0.2 . 1 . . . . 94 ARG CB . 6580 1 703 . 1 1 73 73 ARG N N 15 124.5 0.2 . 1 . . . . 94 ARG N . 6580 1 704 . 1 1 74 74 ILE H H 1 8.62 0.05 . 1 . . . . 95 ILE H . 6580 1 705 . 1 1 74 74 ILE HA H 1 4.54 0.05 . 1 . . . . 95 ILE HA . 6580 1 706 . 1 1 74 74 ILE HG21 H 1 1.14 0.05 . 1 . . . . 95 ILE HG2 . 6580 1 707 . 1 1 74 74 ILE HG22 H 1 1.14 0.05 . 1 . . . . 95 ILE HG2 . 6580 1 708 . 1 1 74 74 ILE HG23 H 1 1.14 0.05 . 1 . . . . 95 ILE HG2 . 6580 1 709 . 1 1 74 74 ILE HD11 H 1 0.69 0.05 . 1 . . . . 95 ILE HD1 . 6580 1 710 . 1 1 74 74 ILE HD12 H 1 0.69 0.05 . 1 . . . . 95 ILE HD1 . 6580 1 711 . 1 1 74 74 ILE HD13 H 1 0.69 0.05 . 1 . . . . 95 ILE HD1 . 6580 1 712 . 1 1 74 74 ILE C C 13 176.2 0.2 . 1 . . . . 95 ILE C . 6580 1 713 . 1 1 74 74 ILE CA C 13 61.3 0.2 . 1 . . . . 95 ILE CA . 6580 1 714 . 1 1 74 74 ILE CG2 C 13 18.9 0.2 . 1 . . . . 95 ILE CG2 . 6580 1 715 . 1 1 74 74 ILE CD1 C 13 14.2 0.2 . 1 . . . . 95 ILE CD1 . 6580 1 716 . 1 1 74 74 ILE N N 15 121.7 0.2 . 1 . . . . 95 ILE N . 6580 1 717 . 1 1 75 75 GLN H H 1 9.71 0.05 . 1 . . . . 96 GLN H . 6580 1 718 . 1 1 75 75 GLN HA H 1 4.71 0.05 . 1 . . . . 96 GLN HA . 6580 1 719 . 1 1 75 75 GLN HB2 H 1 2.06 0.05 . 2 . . . . 96 GLN HB2 . 6580 1 720 . 1 1 75 75 GLN HB3 H 1 2.17 0.05 . 2 . . . . 96 GLN HB3 . 6580 1 721 . 1 1 75 75 GLN HG2 H 1 2.29 0.05 . 2 . . . . 96 GLN HG2 . 6580 1 722 . 1 1 75 75 GLN HG3 H 1 2.18 0.05 . 2 . . . . 96 GLN HG3 . 6580 1 723 . 1 1 75 75 GLN HE21 H 1 7.55 0.05 . 2 . . . . 96 GLN HE21 . 6580 1 724 . 1 1 75 75 GLN HE22 H 1 6.84 0.05 . 2 . . . . 96 GLN HE22 . 6580 1 725 . 1 1 75 75 GLN C C 13 174.6 0.2 . 1 . . . . 96 GLN C . 6580 1 726 . 1 1 75 75 GLN CA C 13 55.2 0.2 . 1 . . . . 96 GLN CA . 6580 1 727 . 1 1 75 75 GLN CB C 13 31.1 0.2 . 1 . . . . 96 GLN CB . 6580 1 728 . 1 1 75 75 GLN N N 15 127.8 0.2 . 1 . . . . 96 GLN N . 6580 1 729 . 1 1 75 75 GLN NE2 N 15 112.7 0.2 . 1 . . . . 96 GLN NE2 . 6580 1 730 . 1 1 76 76 CYS H H 1 8.71 0.05 . 1 . . . . 97 CYS H . 6580 1 731 . 1 1 76 76 CYS HA H 1 5.14 0.05 . 1 . . . . 97 CYS HA . 6580 1 732 . 1 1 76 76 CYS HB2 H 1 2.68 0.05 . 2 . . . . 97 CYS HB2 . 6580 1 733 . 1 1 76 76 CYS HB3 H 1 2.79 0.05 . 2 . . . . 97 CYS HB3 . 6580 1 734 . 1 1 76 76 CYS C C 13 173.4 0.2 . 1 . . . . 97 CYS C . 6580 1 735 . 1 1 76 76 CYS CA C 13 58.0 0.2 . 1 . . . . 97 CYS CA . 6580 1 736 . 1 1 76 76 CYS CB C 13 28.6 0.2 . 1 . . . . 97 CYS CB . 6580 1 737 . 1 1 76 76 CYS N N 15 122.2 0.2 . 1 . . . . 97 CYS N . 6580 1 738 . 1 1 77 77 GLU H H 1 8.44 0.05 . 1 . . . . 98 GLU H . 6580 1 739 . 1 1 77 77 GLU HA H 1 4.52 0.05 . 1 . . . . 98 GLU HA . 6580 1 740 . 1 1 77 77 GLU HB2 H 1 2.66 0.05 . 2 . . . . 98 GLU HB2 . 6580 1 741 . 1 1 77 77 GLU C C 13 176.7 0.2 . 1 . . . . 98 GLU C . 6580 1 742 . 1 1 77 77 GLU CA C 13 56.1 0.2 . 1 . . . . 98 GLU CA . 6580 1 743 . 1 1 77 77 GLU CB C 13 32.3 0.2 . 1 . . . . 98 GLU CB . 6580 1 744 . 1 1 77 77 GLU N N 15 126.7 0.2 . 1 . . . . 98 GLU N . 6580 1 745 . 1 1 78 78 GLY H H 1 9.20 0.05 . 1 . . . . 99 GLY H . 6580 1 746 . 1 1 78 78 GLY HA2 H 1 3.76 0.05 . 2 . . . . 99 GLY HA2 . 6580 1 747 . 1 1 78 78 GLY HA3 H 1 4.52 0.05 . 2 . . . . 99 GLY HA3 . 6580 1 748 . 1 1 78 78 GLY C C 13 175.5 0.2 . 1 . . . . 99 GLY C . 6580 1 749 . 1 1 78 78 GLY CA C 13 47.3 0.2 . 1 . . . . 99 GLY CA . 6580 1 750 . 1 1 78 78 GLY N N 15 114.7 0.2 . 1 . . . . 99 GLY N . 6580 1 751 . 1 1 79 79 GLY H H 1 8.65 0.05 . 1 . . . . 100 GLY H . 6580 1 752 . 1 1 79 79 GLY HA2 H 1 3.99 0.05 . 1 . . . . 100 GLY HA2 . 6580 1 753 . 1 1 79 79 GLY HA3 H 1 3.32 0.05 . 1 . . . . 100 GLY HA3 . 6580 1 754 . 1 1 79 79 GLY C C 13 172.7 0.2 . 1 . . . . 100 GLY C . 6580 1 755 . 1 1 79 79 GLY CA C 13 45.7 0.2 . 1 . . . . 100 GLY CA . 6580 1 756 . 1 1 79 79 GLY N N 15 106.8 0.2 . 1 . . . . 100 GLY N . 6580 1 757 . 1 1 80 80 SER H H 1 7.33 0.05 . 1 . . . . 101 SER H . 6580 1 758 . 1 1 80 80 SER HB2 H 1 3.65 0.05 . 2 . . . . 101 SER HB2 . 6580 1 759 . 1 1 80 80 SER HB3 H 1 3.52 0.05 . 2 . . . . 101 SER HB3 . 6580 1 760 . 1 1 80 80 SER C C 13 172.1 0.2 . 1 . . . . 101 SER C . 6580 1 761 . 1 1 80 80 SER CA C 13 57.3 0.2 . 1 . . . . 101 SER CA . 6580 1 762 . 1 1 80 80 SER CB C 13 67.3 0.2 . 1 . . . . 101 SER CB . 6580 1 763 . 1 1 80 80 SER N N 15 112.4 0.2 . 1 . . . . 101 SER N . 6580 1 764 . 1 1 81 81 PHE H H 1 9.80 0.05 . 1 . . . . 102 PHE H . 6580 1 765 . 1 1 81 81 PHE HA H 1 5.93 0.05 . 1 . . . . 102 PHE HA . 6580 1 766 . 1 1 81 81 PHE HB2 H 1 3.02 0.05 . 2 . . . . 102 PHE HB2 . 6580 1 767 . 1 1 81 81 PHE HB3 H 1 2.67 0.05 . 2 . . . . 102 PHE HB3 . 6580 1 768 . 1 1 81 81 PHE HD1 H 1 7.18 0.05 . 1 . . . . 102 PHE HD1 . 6580 1 769 . 1 1 81 81 PHE HD2 H 1 7.18 0.05 . 1 . . . . 102 PHE HD2 . 6580 1 770 . 1 1 81 81 PHE HE1 H 1 7.21 0.05 . 1 . . . . 102 PHE HE1 . 6580 1 771 . 1 1 81 81 PHE HE2 H 1 7.21 0.05 . 1 . . . . 102 PHE HE2 . 6580 1 772 . 1 1 81 81 PHE C C 13 175.7 0.2 . 1 . . . . 102 PHE C . 6580 1 773 . 1 1 81 81 PHE CA C 13 56.9 0.2 . 1 . . . . 102 PHE CA . 6580 1 774 . 1 1 81 81 PHE CB C 13 43.0 0.2 . 1 . . . . 102 PHE CB . 6580 1 775 . 1 1 81 81 PHE N N 15 120.6 0.2 . 1 . . . . 102 PHE N . 6580 1 776 . 1 1 82 82 SER H H 1 8.75 0.05 . 1 . . . . 103 SER H . 6580 1 777 . 1 1 82 82 SER HA H 1 4.95 0.05 . 1 . . . . 103 SER HA . 6580 1 778 . 1 1 82 82 SER HB2 H 1 3.75 0.05 . 1 . . . . 103 SER HB2 . 6580 1 779 . 1 1 82 82 SER HB3 H 1 3.75 0.05 . 1 . . . . 103 SER HB3 . 6580 1 780 . 1 1 82 82 SER C C 13 173.4 0.2 . 1 . . . . 103 SER C . 6580 1 781 . 1 1 82 82 SER CA C 13 58.3 0.2 . 1 . . . . 103 SER CA . 6580 1 782 . 1 1 82 82 SER N N 15 112.2 0.2 . 1 . . . . 103 SER N . 6580 1 783 . 1 1 83 83 LEU H H 1 9.43 0.05 . 1 . . . . 104 LEU H . 6580 1 784 . 1 1 83 83 LEU HB2 H 1 1.62 0.05 . 2 . . . . 104 LEU HB2 . 6580 1 785 . 1 1 83 83 LEU HG H 1 1.52 0.05 . 1 . . . . 104 LEU HG . 6580 1 786 . 1 1 83 83 LEU HD11 H 1 0.56 0.05 . 2 . . . . 104 LEU HD1 . 6580 1 787 . 1 1 83 83 LEU HD12 H 1 0.56 0.05 . 2 . . . . 104 LEU HD1 . 6580 1 788 . 1 1 83 83 LEU HD13 H 1 0.56 0.05 . 2 . . . . 104 LEU HD1 . 6580 1 789 . 1 1 83 83 LEU HD21 H 1 0.10 0.05 . 2 . . . . 104 LEU HD2 . 6580 1 790 . 1 1 83 83 LEU HD22 H 1 0.10 0.05 . 2 . . . . 104 LEU HD2 . 6580 1 791 . 1 1 83 83 LEU HD23 H 1 0.10 0.05 . 2 . . . . 104 LEU HD2 . 6580 1 792 . 1 1 83 83 LEU C C 13 176.8 0.2 . 1 . . . . 104 LEU C . 6580 1 793 . 1 1 83 83 LEU CA C 13 54.5 0.2 . 1 . . . . 104 LEU CA . 6580 1 794 . 1 1 83 83 LEU CB C 13 40.9 0.2 . 1 . . . . 104 LEU CB . 6580 1 795 . 1 1 83 83 LEU CG C 13 26.8 0.2 . 1 . . . . 104 LEU CG . 6580 1 796 . 1 1 83 83 LEU CD1 C 13 23.7 0.2 . 2 . . . . 104 LEU CD1 . 6580 1 797 . 1 1 83 83 LEU CD2 C 13 25.3 0.2 . 2 . . . . 104 LEU CD2 . 6580 1 798 . 1 1 83 83 LEU N N 15 121.1 0.2 . 1 . . . . 104 LEU N . 6580 1 799 . 1 1 84 84 GLN H H 1 8.35 0.05 . 1 . . . . 105 GLN H . 6580 1 800 . 1 1 84 84 GLN HA H 1 4.11 0.05 . 1 . . . . 105 GLN HA . 6580 1 801 . 1 1 84 84 GLN HB2 H 1 2.09 0.05 . 1 . . . . 105 GLN HB2 . 6580 1 802 . 1 1 84 84 GLN HB3 H 1 2.09 0.05 . 1 . . . . 105 GLN HB3 . 6580 1 803 . 1 1 84 84 GLN HG2 H 1 2.36 0.05 . 2 . . . . 105 GLN HG2 . 6580 1 804 . 1 1 84 84 GLN HG3 H 1 2.45 0.05 . 2 . . . . 105 GLN HG3 . 6580 1 805 . 1 1 84 84 GLN HE21 H 1 7.59 0.05 . 2 . . . . 105 GLN HE21 . 6580 1 806 . 1 1 84 84 GLN HE22 H 1 6.88 0.05 . 2 . . . . 105 GLN HE22 . 6580 1 807 . 1 1 84 84 GLN C C 13 176.0 0.2 . 1 . . . . 105 GLN C . 6580 1 808 . 1 1 84 84 GLN CA C 13 57.7 0.2 . 1 . . . . 105 GLN CA . 6580 1 809 . 1 1 84 84 GLN CB C 13 29.7 0.2 . 1 . . . . 105 GLN CB . 6580 1 810 . 1 1 84 84 GLN N N 15 119.2 0.2 . 1 . . . . 105 GLN N . 6580 1 811 . 1 1 84 84 GLN NE2 N 15 112.2 0.2 . 1 . . . . 105 GLN NE2 . 6580 1 812 . 1 1 85 85 SER H H 1 8.72 0.05 . 1 . . . . 106 SER H . 6580 1 813 . 1 1 85 85 SER HA H 1 4.88 0.05 . 1 . . . . 106 SER HA . 6580 1 814 . 1 1 85 85 SER HB2 H 1 3.89 0.05 . 2 . . . . 106 SER HB2 . 6580 1 815 . 1 1 85 85 SER HB3 H 1 3.77 0.05 . 2 . . . . 106 SER HB3 . 6580 1 816 . 1 1 85 85 SER C C 13 173.6 0.2 . 1 . . . . 106 SER C . 6580 1 817 . 1 1 85 85 SER CA C 13 57.6 0.2 . 1 . . . . 106 SER CA . 6580 1 818 . 1 1 85 85 SER CB C 13 65.1 0.2 . 1 . . . . 106 SER CB . 6580 1 819 . 1 1 85 85 SER N N 15 120.4 0.2 . 1 . . . . 106 SER N . 6580 1 820 . 1 1 86 86 ASP H H 1 8.75 0.05 . 1 . . . . 107 ASP H . 6580 1 821 . 1 1 86 86 ASP HA H 1 4.94 0.05 . 1 . . . . 107 ASP HA . 6580 1 822 . 1 1 86 86 ASP HB2 H 1 2.36 0.05 . 2 . . . . 107 ASP HB2 . 6580 1 823 . 1 1 86 86 ASP HB3 H 1 2.59 0.05 . 2 . . . . 107 ASP HB3 . 6580 1 824 . 1 1 86 86 ASP CA C 13 52.1 0.2 . 1 . . . . 107 ASP CA . 6580 1 825 . 1 1 86 86 ASP N N 15 127.8 0.2 . 1 . . . . 107 ASP N . 6580 1 826 . 1 1 87 87 PRO C C 13 177.2 0.2 . 1 . . . . 108 PRO C . 6580 1 827 . 1 1 87 87 PRO CA C 13 65.1 0.2 . 1 . . . . 108 PRO CA . 6580 1 828 . 1 1 87 87 PRO CB C 13 32.6 0.2 . 1 . . . . 108 PRO CB . 6580 1 829 . 1 1 88 88 ARG H H 1 9.53 0.05 . 1 . . . . 109 ARG H . 6580 1 830 . 1 1 88 88 ARG HA H 1 4.18 0.05 . 1 . . . . 109 ARG HA . 6580 1 831 . 1 1 88 88 ARG HB2 H 1 1.96 0.05 . 2 . . . . 109 ARG HB2 . 6580 1 832 . 1 1 88 88 ARG HB3 H 1 1.68 0.05 . 2 . . . . 109 ARG HB3 . 6580 1 833 . 1 1 88 88 ARG C C 13 177.1 0.2 . 1 . . . . 109 ARG C . 6580 1 834 . 1 1 88 88 ARG CA C 13 57.2 0.2 . 1 . . . . 109 ARG CA . 6580 1 835 . 1 1 88 88 ARG CB C 13 29.9 0.2 . 1 . . . . 109 ARG CB . 6580 1 836 . 1 1 88 88 ARG N N 15 118.3 0.2 . 1 . . . . 109 ARG N . 6580 1 837 . 1 1 89 89 SER H H 1 8.27 0.05 . 1 . . . . 110 SER H . 6580 1 838 . 1 1 89 89 SER HA H 1 4.27 0.05 . 1 . . . . 110 SER HA . 6580 1 839 . 1 1 89 89 SER C C 13 173.8 0.2 . 1 . . . . 110 SER C . 6580 1 840 . 1 1 89 89 SER CA C 13 61.2 0.2 . 1 . . . . 110 SER CA . 6580 1 841 . 1 1 89 89 SER CB C 13 64.9 0.2 . 1 . . . . 110 SER CB . 6580 1 842 . 1 1 89 89 SER N N 15 117.2 0.2 . 1 . . . . 110 SER N . 6580 1 843 . 1 1 90 90 THR H H 1 8.38 0.05 . 1 . . . . 111 THR H . 6580 1 844 . 1 1 90 90 THR HA H 1 5.03 0.05 . 1 . . . . 111 THR HA . 6580 1 845 . 1 1 90 90 THR HB H 1 4.23 0.05 . 1 . . . . 111 THR HB . 6580 1 846 . 1 1 90 90 THR HG21 H 1 1.25 0.05 . 1 . . . . 111 THR HG2 . 6580 1 847 . 1 1 90 90 THR HG22 H 1 1.25 0.05 . 1 . . . . 111 THR HG2 . 6580 1 848 . 1 1 90 90 THR HG23 H 1 1.25 0.05 . 1 . . . . 111 THR HG2 . 6580 1 849 . 1 1 90 90 THR C C 13 174.1 0.2 . 1 . . . . 111 THR C . 6580 1 850 . 1 1 90 90 THR CA C 13 61.4 0.2 . 1 . . . . 111 THR CA . 6580 1 851 . 1 1 90 90 THR CB C 13 69.4 0.2 . 1 . . . . 111 THR CB . 6580 1 852 . 1 1 90 90 THR N N 15 112.7 0.2 . 1 . . . . 111 THR N . 6580 1 853 . 1 1 91 91 GLN H H 1 7.64 0.05 . 1 . . . . 112 GLN H . 6580 1 854 . 1 1 91 91 GLN HA H 1 4.76 0.05 . 1 . . . . 112 GLN HA . 6580 1 855 . 1 1 91 91 GLN CA C 13 52.9 0.2 . 1 . . . . 112 GLN CA . 6580 1 856 . 1 1 91 91 GLN N N 15 121.5 0.2 . 1 . . . . 112 GLN N . 6580 1 857 . 1 1 92 92 PRO C C 13 175.2 0.2 . 1 . . . . 113 PRO C . 6580 1 858 . 1 1 92 92 PRO CB C 13 30.4 0.2 . 1 . . . . 113 PRO CB . 6580 1 859 . 1 1 93 93 VAL H H 1 8.26 0.05 . 1 . . . . 114 VAL H . 6580 1 860 . 1 1 93 93 VAL HA H 1 3.13 0.05 . 1 . . . . 114 VAL HA . 6580 1 861 . 1 1 93 93 VAL HB H 1 1.15 0.05 . 1 . . . . 114 VAL HB . 6580 1 862 . 1 1 93 93 VAL HG11 H 1 0.00 0.05 . 2 . . . . 114 VAL HG1 . 6580 1 863 . 1 1 93 93 VAL HG12 H 1 0.00 0.05 . 2 . . . . 114 VAL HG1 . 6580 1 864 . 1 1 93 93 VAL HG13 H 1 0.00 0.05 . 2 . . . . 114 VAL HG1 . 6580 1 865 . 1 1 93 93 VAL HG21 H 1 0.40 0.05 . 2 . . . . 114 VAL HG2 . 6580 1 866 . 1 1 93 93 VAL HG22 H 1 0.40 0.05 . 2 . . . . 114 VAL HG2 . 6580 1 867 . 1 1 93 93 VAL HG23 H 1 0.40 0.05 . 2 . . . . 114 VAL HG2 . 6580 1 868 . 1 1 93 93 VAL N N 15 127.2 0.2 . 1 . . . . 114 VAL N . 6580 1 869 . 1 1 94 94 PRO HA H 1 4.11 0.05 . 1 . . . . 115 PRO HA . 6580 1 870 . 1 1 94 94 PRO C C 13 173.9 0.2 . 1 . . . . 115 PRO C . 6580 1 871 . 1 1 94 94 PRO CA C 13 62.7 0.2 . 1 . . . . 115 PRO CA . 6580 1 872 . 1 1 94 94 PRO CB C 13 32.0 0.2 . 1 . . . . 115 PRO CB . 6580 1 873 . 1 1 95 95 ARG H H 1 7.47 0.05 . 1 . . . . 116 ARG H . 6580 1 874 . 1 1 95 95 ARG HA H 1 4.90 0.05 . 1 . . . . 116 ARG HA . 6580 1 875 . 1 1 95 95 ARG C C 13 175.9 0.2 . 1 . . . . 116 ARG C . 6580 1 876 . 1 1 95 95 ARG CA C 13 54.4 0.2 . 1 . . . . 116 ARG CA . 6580 1 877 . 1 1 95 95 ARG CB C 13 33.8 0.2 . 1 . . . . 116 ARG CB . 6580 1 878 . 1 1 95 95 ARG N N 15 118.3 0.2 . 1 . . . . 116 ARG N . 6580 1 879 . 1 1 96 96 PHE H H 1 8.88 0.05 . 1 . . . . 117 PHE H . 6580 1 880 . 1 1 96 96 PHE HA H 1 5.00 0.05 . 1 . . . . 117 PHE HA . 6580 1 881 . 1 1 96 96 PHE HB2 H 1 2.67 0.05 . 2 . . . . 117 PHE HB2 . 6580 1 882 . 1 1 96 96 PHE HD1 H 1 7.16 0.05 . 1 . . . . 117 PHE HD1 . 6580 1 883 . 1 1 96 96 PHE HD2 H 1 7.16 0.05 . 1 . . . . 117 PHE HD2 . 6580 1 884 . 1 1 96 96 PHE C C 13 175.5 0.2 . 1 . . . . 117 PHE C . 6580 1 885 . 1 1 96 96 PHE CA C 13 56.9 0.2 . 1 . . . . 117 PHE CA . 6580 1 886 . 1 1 96 96 PHE CB C 13 45.9 0.2 . 1 . . . . 117 PHE CB . 6580 1 887 . 1 1 96 96 PHE N N 15 116.7 0.2 . 1 . . . . 117 PHE N . 6580 1 888 . 1 1 97 97 ASP H H 1 9.08 0.05 . 1 . . . . 118 ASP H . 6580 1 889 . 1 1 97 97 ASP HA H 1 4.75 0.05 . 1 . . . . 118 ASP HA . 6580 1 890 . 1 1 97 97 ASP C C 13 174.5 0.2 . 1 . . . . 118 ASP C . 6580 1 891 . 1 1 97 97 ASP CA C 13 53.9 0.2 . 1 . . . . 118 ASP CA . 6580 1 892 . 1 1 97 97 ASP CB C 13 40.4 0.2 . 1 . . . . 118 ASP CB . 6580 1 893 . 1 1 97 97 ASP N N 15 120.8 0.2 . 1 . . . . 118 ASP N . 6580 1 894 . 1 1 98 98 CYS H H 1 7.07 0.05 . 1 . . . . 119 CYS H . 6580 1 895 . 1 1 98 98 CYS HA H 1 4.59 0.05 . 1 . . . . 119 CYS HA . 6580 1 896 . 1 1 98 98 CYS HB2 H 1 2.70 0.05 . 2 . . . . 119 CYS HB2 . 6580 1 897 . 1 1 98 98 CYS HB3 H 1 2.95 0.05 . 2 . . . . 119 CYS HB3 . 6580 1 898 . 1 1 98 98 CYS C C 13 176.4 0.2 . 1 . . . . 119 CYS C . 6580 1 899 . 1 1 98 98 CYS CA C 13 59.4 0.2 . 1 . . . . 119 CYS CA . 6580 1 900 . 1 1 98 98 CYS N N 15 119.7 0.2 . 1 . . . . 119 CYS N . 6580 1 901 . 1 1 99 99 VAL H H 1 8.41 0.05 . 1 . . . . 120 VAL H . 6580 1 902 . 1 1 99 99 VAL HA H 1 3.20 0.05 . 1 . . . . 120 VAL HA . 6580 1 903 . 1 1 99 99 VAL HB H 1 1.15 0.05 . 1 . . . . 120 VAL HB . 6580 1 904 . 1 1 99 99 VAL HG11 H 1 0.43 0.05 . 2 . . . . 120 VAL HG1 . 6580 1 905 . 1 1 99 99 VAL HG12 H 1 0.43 0.05 . 2 . . . . 120 VAL HG1 . 6580 1 906 . 1 1 99 99 VAL HG13 H 1 0.43 0.05 . 2 . . . . 120 VAL HG1 . 6580 1 907 . 1 1 99 99 VAL HG21 H 1 0.01 0.05 . 2 . . . . 120 VAL HG2 . 6580 1 908 . 1 1 99 99 VAL HG22 H 1 0.01 0.05 . 2 . . . . 120 VAL HG2 . 6580 1 909 . 1 1 99 99 VAL HG23 H 1 0.01 0.05 . 2 . . . . 120 VAL HG2 . 6580 1 910 . 1 1 99 99 VAL C C 13 176.1 0.2 . 1 . . . . 120 VAL C . 6580 1 911 . 1 1 99 99 VAL CA C 13 65.5 0.2 . 1 . . . . 120 VAL CA . 6580 1 912 . 1 1 99 99 VAL CB C 13 31.9 0.2 . 1 . . . . 120 VAL CB . 6580 1 913 . 1 1 99 99 VAL CG1 C 13 22.2 0.2 . 2 . . . . 120 VAL CG1 . 6580 1 914 . 1 1 99 99 VAL CG2 C 13 22.3 0.2 . 2 . . . . 120 VAL CG2 . 6580 1 915 . 1 1 99 99 VAL N N 15 130.3 0.2 . 1 . . . . 120 VAL N . 6580 1 916 . 1 1 100 100 LEU H H 1 9.53 0.05 . 1 . . . . 121 LEU H . 6580 1 917 . 1 1 100 100 LEU HA H 1 3.87 0.05 . 1 . . . . 121 LEU HA . 6580 1 918 . 1 1 100 100 LEU HB2 H 1 1.85 0.05 . 1 . . . . 121 LEU HB2 . 6580 1 919 . 1 1 100 100 LEU HG H 1 1.39 0.05 . 1 . . . . 121 LEU HG . 6580 1 920 . 1 1 100 100 LEU HD11 H 1 0.59 0.05 . 2 . . . . 121 LEU HD1 . 6580 1 921 . 1 1 100 100 LEU HD12 H 1 0.59 0.05 . 2 . . . . 121 LEU HD1 . 6580 1 922 . 1 1 100 100 LEU HD13 H 1 0.59 0.05 . 2 . . . . 121 LEU HD1 . 6580 1 923 . 1 1 100 100 LEU HD21 H 1 0.70 0.05 . 2 . . . . 121 LEU HD2 . 6580 1 924 . 1 1 100 100 LEU HD22 H 1 0.70 0.05 . 2 . . . . 121 LEU HD2 . 6580 1 925 . 1 1 100 100 LEU HD23 H 1 0.70 0.05 . 2 . . . . 121 LEU HD2 . 6580 1 926 . 1 1 100 100 LEU C C 13 179.3 0.2 . 1 . . . . 121 LEU C . 6580 1 927 . 1 1 100 100 LEU CA C 13 58.0 0.2 . 1 . . . . 121 LEU CA . 6580 1 928 . 1 1 100 100 LEU CB C 13 40.6 0.2 . 1 . . . . 121 LEU CB . 6580 1 929 . 1 1 100 100 LEU CD1 C 13 24.3 0.2 . 2 . . . . 121 LEU CD1 . 6580 1 930 . 1 1 100 100 LEU CD2 C 13 25.5 0.2 . 2 . . . . 121 LEU CD2 . 6580 1 931 . 1 1 100 100 LEU N N 15 126.3 0.2 . 1 . . . . 121 LEU N . 6580 1 932 . 1 1 101 101 LYS H H 1 7.06 0.05 . 1 . . . . 122 LYS H . 6580 1 933 . 1 1 101 101 LYS HA H 1 3.86 0.05 . 1 . . . . 122 LYS HA . 6580 1 934 . 1 1 101 101 LYS C C 13 178.2 0.2 . 1 . . . . 122 LYS C . 6580 1 935 . 1 1 101 101 LYS CA C 13 59.8 0.2 . 1 . . . . 122 LYS CA . 6580 1 936 . 1 1 101 101 LYS CB C 13 33.8 0.2 . 1 . . . . 122 LYS CB . 6580 1 937 . 1 1 101 101 LYS N N 15 119.9 0.2 . 1 . . . . 122 LYS N . 6580 1 938 . 1 1 102 102 LEU H H 1 6.83 0.05 . 1 . . . . 123 LEU H . 6580 1 939 . 1 1 102 102 LEU HA H 1 2.25 0.05 . 1 . . . . 123 LEU HA . 6580 1 940 . 1 1 102 102 LEU HB2 H 1 1.86 0.05 . 2 . . . . 123 LEU HB2 . 6580 1 941 . 1 1 102 102 LEU HB3 H 1 1.96 0.05 . 2 . . . . 123 LEU HB3 . 6580 1 942 . 1 1 102 102 LEU HG H 1 1.66 0.05 . 1 . . . . 123 LEU HG . 6580 1 943 . 1 1 102 102 LEU HD11 H 1 0.98 0.05 . 2 . . . . 123 LEU HD1 . 6580 1 944 . 1 1 102 102 LEU HD12 H 1 0.98 0.05 . 2 . . . . 123 LEU HD1 . 6580 1 945 . 1 1 102 102 LEU HD13 H 1 0.98 0.05 . 2 . . . . 123 LEU HD1 . 6580 1 946 . 1 1 102 102 LEU HD21 H 1 0.59 0.05 . 2 . . . . 123 LEU HD2 . 6580 1 947 . 1 1 102 102 LEU HD22 H 1 0.59 0.05 . 2 . . . . 123 LEU HD2 . 6580 1 948 . 1 1 102 102 LEU HD23 H 1 0.59 0.05 . 2 . . . . 123 LEU HD2 . 6580 1 949 . 1 1 102 102 LEU C C 13 177.2 0.2 . 1 . . . . 123 LEU C . 6580 1 950 . 1 1 102 102 LEU CA C 13 58.6 0.2 . 1 . . . . 123 LEU CA . 6580 1 951 . 1 1 102 102 LEU CB C 13 44.8 0.2 . 1 . . . . 123 LEU CB . 6580 1 952 . 1 1 102 102 LEU CG C 13 28.3 0.2 . 1 . . . . 123 LEU CG . 6580 1 953 . 1 1 102 102 LEU CD1 C 13 28.7 0.2 . 1 . . . . 123 LEU CD1 . 6580 1 954 . 1 1 102 102 LEU CD2 C 13 24.3 0.2 . 1 . . . . 123 LEU CD2 . 6580 1 955 . 1 1 102 102 LEU N N 15 121.1 0.2 . 1 . . . . 123 LEU N . 6580 1 956 . 1 1 103 103 VAL H H 1 7.76 0.05 . 1 . . . . 124 VAL H . 6580 1 957 . 1 1 103 103 VAL HA H 1 3.00 0.05 . 1 . . . . 124 VAL HA . 6580 1 958 . 1 1 103 103 VAL HB H 1 1.96 0.05 . 1 . . . . 124 VAL HB . 6580 1 959 . 1 1 103 103 VAL HG11 H 1 0.61 0.05 . 2 . . . . 124 VAL HG1 . 6580 1 960 . 1 1 103 103 VAL HG12 H 1 0.61 0.05 . 2 . . . . 124 VAL HG1 . 6580 1 961 . 1 1 103 103 VAL HG13 H 1 0.61 0.05 . 2 . . . . 124 VAL HG1 . 6580 1 962 . 1 1 103 103 VAL HG21 H 1 0.84 0.05 . 2 . . . . 124 VAL HG2 . 6580 1 963 . 1 1 103 103 VAL HG22 H 1 0.84 0.05 . 2 . . . . 124 VAL HG2 . 6580 1 964 . 1 1 103 103 VAL HG23 H 1 0.84 0.05 . 2 . . . . 124 VAL HG2 . 6580 1 965 . 1 1 103 103 VAL C C 13 177.5 0.2 . 1 . . . . 124 VAL C . 6580 1 966 . 1 1 103 103 VAL CA C 13 67.7 0.2 . 1 . . . . 124 VAL CA . 6580 1 967 . 1 1 103 103 VAL CB C 13 31.6 0.2 . 1 . . . . 124 VAL CB . 6580 1 968 . 1 1 103 103 VAL CG1 C 13 22.4 0.2 . 2 . . . . 124 VAL CG1 . 6580 1 969 . 1 1 103 103 VAL CG2 C 13 23.1 0.2 . 2 . . . . 124 VAL CG2 . 6580 1 970 . 1 1 103 103 VAL N N 15 118.1 0.2 . 1 . . . . 124 VAL N . 6580 1 971 . 1 1 104 104 HIS H H 1 8.05 0.05 . 1 . . . . 125 HIS H . 6580 1 972 . 1 1 104 104 HIS HA H 1 3.94 0.05 . 1 . . . . 125 HIS HA . 6580 1 973 . 1 1 104 104 HIS C C 13 177.2 0.2 . 1 . . . . 125 HIS C . 6580 1 974 . 1 1 104 104 HIS CA C 13 59.4 0.2 . 1 . . . . 125 HIS CA . 6580 1 975 . 1 1 104 104 HIS CB C 13 30.2 0.2 . 1 . . . . 125 HIS CB . 6580 1 976 . 1 1 104 104 HIS N N 15 114.7 0.2 . 1 . . . . 125 HIS N . 6580 1 977 . 1 1 105 105 HIS H H 1 7.65 0.05 . 1 . . . . 126 HIS H . 6580 1 978 . 1 1 105 105 HIS HA H 1 3.94 0.05 . 1 . . . . 126 HIS HA . 6580 1 979 . 1 1 105 105 HIS HB2 H 1 2.89 0.05 . 2 . . . . 126 HIS HB2 . 6580 1 980 . 1 1 105 105 HIS HB3 H 1 2.73 0.05 . 2 . . . . 126 HIS HB3 . 6580 1 981 . 1 1 105 105 HIS HD2 H 1 7.42 0.05 . 1 . . . . 126 HIS HD2 . 6580 1 982 . 1 1 105 105 HIS HE1 H 1 7.97 0.05 . 1 . . . . 126 HIS HE1 . 6580 1 983 . 1 1 105 105 HIS C C 13 175.7 0.2 . 1 . . . . 126 HIS C . 6580 1 984 . 1 1 105 105 HIS CA C 13 60.4 0.2 . 1 . . . . 126 HIS CA . 6580 1 985 . 1 1 105 105 HIS CB C 13 29.9 0.2 . 1 . . . . 126 HIS CB . 6580 1 986 . 1 1 105 105 HIS N N 15 118.8 0.2 . 1 . . . . 126 HIS N . 6580 1 987 . 1 1 106 106 TYR H H 1 7.03 0.05 . 1 . . . . 127 TYR H . 6580 1 988 . 1 1 106 106 TYR HA H 1 3.95 0.05 . 1 . . . . 127 TYR HA . 6580 1 989 . 1 1 106 106 TYR HD1 H 1 6.86 0.05 . 1 . . . . 127 TYR HD1 . 6580 1 990 . 1 1 106 106 TYR HD2 H 1 6.86 0.05 . 1 . . . . 127 TYR HD2 . 6580 1 991 . 1 1 106 106 TYR HE1 H 1 6.24 0.05 . 1 . . . . 127 TYR HE1 . 6580 1 992 . 1 1 106 106 TYR HE2 H 1 6.24 0.05 . 1 . . . . 127 TYR HE2 . 6580 1 993 . 1 1 106 106 TYR C C 13 175.3 0.2 . 1 . . . . 127 TYR C . 6580 1 994 . 1 1 106 106 TYR CA C 13 59.8 0.2 . 1 . . . . 127 TYR CA . 6580 1 995 . 1 1 106 106 TYR CB C 13 39.2 0.2 . 1 . . . . 127 TYR CB . 6580 1 996 . 1 1 106 106 TYR N N 15 112.9 0.2 . 1 . . . . 127 TYR N . 6580 1 997 . 1 1 107 107 MET H H 1 7.24 0.05 . 1 . . . . 128 MET H . 6580 1 998 . 1 1 107 107 MET HA H 1 4.70 0.05 . 1 . . . . 128 MET HA . 6580 1 999 . 1 1 107 107 MET HB2 H 1 2.22 0.05 . 2 . . . . 128 MET HB2 . 6580 1 1000 . 1 1 107 107 MET HB3 H 1 1.76 0.05 . 2 . . . . 128 MET HB3 . 6580 1 1001 . 1 1 107 107 MET CA C 13 55.6 0.2 . 1 . . . . 128 MET CA . 6580 1 1002 . 1 1 107 107 MET N N 15 122.0 0.2 . 1 . . . . 128 MET N . 6580 1 1003 . 1 1 110 110 PRO HA H 1 4.32 0.05 . 1 . . . . 131 PRO HA . 6580 1 1004 . 1 1 110 110 PRO C C 13 177.5 0.2 . 1 . . . . 131 PRO C . 6580 1 1005 . 1 1 110 110 PRO CA C 13 64.0 0.2 . 1 . . . . 131 PRO CA . 6580 1 1006 . 1 1 110 110 PRO CB C 13 32.4 0.2 . 1 . . . . 131 PRO CB . 6580 1 1007 . 1 1 111 111 GLY H H 1 8.51 0.05 . 1 . . . . 132 GLY H . 6580 1 1008 . 1 1 111 111 GLY HA2 H 1 4.31 0.05 . 1 . . . . 132 GLY HA2 . 6580 1 1009 . 1 1 111 111 GLY HA3 H 1 4.31 0.05 . 1 . . . . 132 GLY HA3 . 6580 1 1010 . 1 1 111 111 GLY C C 13 174.1 0.2 . 1 . . . . 132 GLY C . 6580 1 1011 . 1 1 111 111 GLY CA C 13 45.5 0.2 . 1 . . . . 132 GLY CA . 6580 1 1012 . 1 1 111 111 GLY N N 15 109.7 0.2 . 1 . . . . 132 GLY N . 6580 1 1013 . 1 1 113 113 PRO HA H 1 4.36 0.05 . 1 . . . . 134 PRO HA . 6580 1 1014 . 1 1 113 113 PRO C C 13 176.6 0.2 . 1 . . . . 134 PRO C . 6580 1 1015 . 1 1 113 113 PRO CA C 13 63.7 0.2 . 1 . . . . 134 PRO CA . 6580 1 1016 . 1 1 113 113 PRO CB C 13 32.5 0.2 . 1 . . . . 134 PRO CB . 6580 1 1017 . 1 1 114 114 SER H H 1 8.32 0.05 . 1 . . . . 135 SER H . 6580 1 1018 . 1 1 114 114 SER HA H 1 4.31 0.05 . 1 . . . . 135 SER HA . 6580 1 1019 . 1 1 114 114 SER HB2 H 1 3.72 0.05 . 1 . . . . 135 SER HB2 . 6580 1 1020 . 1 1 114 114 SER HB3 H 1 3.72 0.05 . 1 . . . . 135 SER HB3 . 6580 1 1021 . 1 1 114 114 SER C C 13 174.0 0.2 . 1 . . . . 135 SER C . 6580 1 1022 . 1 1 114 114 SER CA C 13 58.7 0.2 . 1 . . . . 135 SER CA . 6580 1 1023 . 1 1 114 114 SER CB C 13 63.9 0.2 . 1 . . . . 135 SER CB . 6580 1 1024 . 1 1 114 114 SER N N 15 115.8 0.2 . 1 . . . . 135 SER N . 6580 1 1025 . 1 1 115 115 PHE H H 1 8.07 0.05 . 1 . . . . 136 PHE H . 6580 1 1026 . 1 1 115 115 PHE HA H 1 4.62 0.05 . 1 . . . . 136 PHE HA . 6580 1 1027 . 1 1 115 115 PHE HB2 H 1 2.99 0.05 . 2 . . . . 136 PHE HB2 . 6580 1 1028 . 1 1 115 115 PHE HB3 H 1 3.09 0.05 . 2 . . . . 136 PHE HB3 . 6580 1 1029 . 1 1 115 115 PHE C C 13 175.1 0.2 . 1 . . . . 136 PHE C . 6580 1 1030 . 1 1 115 115 PHE CA C 13 58.0 0.2 . 1 . . . . 136 PHE CA . 6580 1 1031 . 1 1 115 115 PHE CB C 13 40.0 0.2 . 1 . . . . 136 PHE CB . 6580 1 1032 . 1 1 115 115 PHE N N 15 121.3 0.2 . 1 . . . . 136 PHE N . 6580 1 1033 . 1 1 116 116 SER HA H 1 3.71 0.05 . 1 . . . . 137 SER HA . 6580 1 1034 . 1 1 116 116 SER C C 13 173.3 0.2 . 1 . . . . 137 SER C . 6580 1 1035 . 1 1 116 116 SER CA C 13 58.0 0.2 . 1 . . . . 137 SER CA . 6580 1 1036 . 1 1 116 116 SER CB C 13 64.3 0.2 . 1 . . . . 137 SER CB . 6580 1 1037 . 1 1 116 116 SER N N 15 117.4 0.2 . 1 . . . . 137 SER N . 6580 1 1038 . 1 1 117 117 LEU H H 1 8.15 0.05 . 1 . . . . 138 LEU H . 6580 1 1039 . 1 1 117 117 LEU HA H 1 4.38 0.05 . 1 . . . . 138 LEU HA . 6580 1 1040 . 1 1 117 117 LEU CA C 13 53.1 0.2 . 1 . . . . 138 LEU CA . 6580 1 1041 . 1 1 117 117 LEU N N 15 125.1 0.2 . 1 . . . . 138 LEU N . 6580 1 1042 . 1 1 119 119 PRO C C 13 176.9 0.2 . 1 . . . . 140 PRO C . 6580 1 1043 . 1 1 119 119 PRO CA C 13 63.4 0.2 . 1 . . . . 140 PRO CA . 6580 1 1044 . 1 1 119 119 PRO CB C 13 32.5 0.2 . 1 . . . . 140 PRO CB . 6580 1 1045 . 1 1 120 120 THR HA H 1 4.45 0.05 . 1 . . . . 141 THR HA . 6580 1 1046 . 1 1 120 120 THR CA C 13 62.1 0.2 . 1 . . . . 141 THR CA . 6580 1 1047 . 1 1 120 120 THR N N 15 114.0 0.2 . 1 . . . . 141 THR N . 6580 1 1048 . 1 1 120 120 THR H H 1 8.14 0.05 . 1 . . . . 141 THR H . 6580 1 1049 . 1 1 120 120 THR HB H 1 4.11 0.05 . 1 . . . . 141 THR HB . 6580 1 1050 . 1 1 120 120 THR HG21 H 1 1.14 0.05 . 1 . . . . 141 THR HG2 . 6580 1 1051 . 1 1 120 120 THR HG22 H 1 1.14 0.05 . 1 . . . . 141 THR HG2 . 6580 1 1052 . 1 1 120 120 THR HG23 H 1 1.14 0.05 . 1 . . . . 141 THR HG2 . 6580 1 1053 . 1 1 120 120 THR C C 13 174.3 0.2 . 1 . . . . 141 THR C . 6580 1 1054 . 1 1 120 120 THR CB C 13 70.2 0.2 . 1 . . . . 141 THR CB . 6580 1 1055 . 1 1 121 121 GLU H H 1 8.25 0.05 . 1 . . . . 142 GLU H . 6580 1 1056 . 1 1 121 121 GLU HA H 1 4.22 0.05 . 1 . . . . 142 GLU HA . 6580 1 1057 . 1 1 121 121 GLU CA C 13 54.5 0.2 . 1 . . . . 142 GLU CA . 6580 1 1058 . 1 1 121 121 GLU CB C 13 32.5 0.2 . 1 . . . . 142 GLU CB . 6580 1 1059 . 1 1 121 121 GLU N N 15 124.0 0.2 . 1 . . . . 142 GLU N . 6580 1 1060 . 1 1 122 122 PRO C C 13 176.8 0.2 . 1 . . . . 143 PRO C . 6580 1 1061 . 1 1 122 122 PRO CA C 13 63.8 0.2 . 1 . . . . 143 PRO CA . 6580 1 1062 . 1 1 122 122 PRO CB C 13 32.6 0.2 . 1 . . . . 143 PRO CB . 6580 1 1063 . 1 1 123 123 SER H H 1 8.42 0.05 . 1 . . . . 144 SER H . 6580 1 1064 . 1 1 123 123 SER HA H 1 4.43 0.05 . 1 . . . . 144 SER HA . 6580 1 1065 . 1 1 123 123 SER C C 13 174.6 0.2 . 1 . . . . 144 SER C . 6580 1 1066 . 1 1 123 123 SER CA C 13 58.4 0.2 . 1 . . . . 144 SER CA . 6580 1 1067 . 1 1 123 123 SER CB C 13 64.2 0.2 . 1 . . . . 144 SER CB . 6580 1 1068 . 1 1 123 123 SER N N 15 115.8 0.2 . 1 . . . . 144 SER N . 6580 1 1069 . 1 1 124 124 SER H H 1 8.33 0.05 . 1 . . . . 145 SER H . 6580 1 1070 . 1 1 124 124 SER HA H 1 4.41 0.05 . 1 . . . . 145 SER HA . 6580 1 1071 . 1 1 124 124 SER C C 13 174.2 0.2 . 1 . . . . 145 SER C . 6580 1 1072 . 1 1 124 124 SER CA C 13 58.7 0.2 . 1 . . . . 145 SER CA . 6580 1 1073 . 1 1 124 124 SER CB C 13 62.2 0.2 . 1 . . . . 145 SER CB . 6580 1 1074 . 1 1 124 124 SER N N 15 117.9 0.2 . 1 . . . . 145 SER N . 6580 1 1075 . 1 1 125 125 GLU H H 1 8.35 0.05 . 1 . . . . 146 GLU H . 6580 1 1076 . 1 1 125 125 GLU HA H 1 4.25 0.05 . 1 . . . . 146 GLU HA . 6580 1 1077 . 1 1 125 125 GLU C C 13 173.4 0.2 . 1 . . . . 146 GLU C . 6580 1 1078 . 1 1 125 125 GLU CA C 13 56.8 0.2 . 1 . . . . 146 GLU CA . 6580 1 1079 . 1 1 125 125 GLU CB C 13 30.6 0.2 . 1 . . . . 146 GLU CB . 6580 1 1080 . 1 1 125 125 GLU N N 15 122.2 0.2 . 1 . . . . 146 GLU N . 6580 1 1081 . 1 1 126 126 VAL H H 1 8.10 0.05 . 1 . . . . 147 VAL H . 6580 1 1082 . 1 1 126 126 VAL HA H 1 4.25 0.05 . 1 . . . . 147 VAL HA . 6580 1 1083 . 1 1 126 126 VAL HB H 1 2.00 0.05 . 1 . . . . 147 VAL HB . 6580 1 1084 . 1 1 126 126 VAL HG11 H 1 0.88 0.05 . 1 . . . . 147 VAL HG1 . 6580 1 1085 . 1 1 126 126 VAL HG12 H 1 0.88 0.05 . 1 . . . . 147 VAL HG1 . 6580 1 1086 . 1 1 126 126 VAL HG13 H 1 0.88 0.05 . 1 . . . . 147 VAL HG1 . 6580 1 1087 . 1 1 126 126 VAL HG21 H 1 0.88 0.05 . 1 . . . . 147 VAL HG2 . 6580 1 1088 . 1 1 126 126 VAL HG22 H 1 0.88 0.05 . 1 . . . . 147 VAL HG2 . 6580 1 1089 . 1 1 126 126 VAL HG23 H 1 0.88 0.05 . 1 . . . . 147 VAL HG2 . 6580 1 1090 . 1 1 126 126 VAL CA C 13 60.1 0.2 . 1 . . . . 147 VAL CA . 6580 1 1091 . 1 1 126 126 VAL CB C 13 32.5 0.2 . 1 . . . . 147 VAL CB . 6580 1 1092 . 1 1 126 126 VAL N N 15 122.4 0.2 . 1 . . . . 147 VAL N . 6580 1 1093 . 1 1 127 127 PRO C C 13 176.6 0.2 . 1 . . . . 148 PRO C . 6580 1 1094 . 1 1 127 127 PRO CA C 13 63.4 0.2 . 1 . . . . 148 PRO CA . 6580 1 1095 . 1 1 127 127 PRO CB C 13 32.6 0.2 . 1 . . . . 148 PRO CB . 6580 1 1096 . 1 1 128 128 GLU H H 1 8.42 0.05 . 1 . . . . 149 GLU H . 6580 1 1097 . 1 1 128 128 GLU HA H 1 4.35 0.05 . 1 . . . . 149 GLU HA . 6580 1 1098 . 1 1 128 128 GLU HB2 H 1 2.30 0.05 . 1 . . . . 149 GLU HB2 . 6580 1 1099 . 1 1 128 128 GLU HB3 H 1 2.30 0.05 . 1 . . . . 149 GLU HB3 . 6580 1 1100 . 1 1 128 128 GLU C C 13 176.1 0.2 . 1 . . . . 149 GLU C . 6580 1 1101 . 1 1 128 128 GLU CA C 13 56.9 0.2 . 1 . . . . 149 GLU CA . 6580 1 1102 . 1 1 128 128 GLU CB C 13 30.6 0.2 . 1 . . . . 149 GLU CB . 6580 1 1103 . 1 1 128 128 GLU N N 15 120.8 0.2 . 1 . . . . 149 GLU N . 6580 1 1104 . 1 1 129 129 GLN H H 1 8.30 0.05 . 1 . . . . 150 GLN H . 6580 1 1105 . 1 1 129 129 GLN HA H 1 4.13 0.05 . 1 . . . . 150 GLN HA . 6580 1 1106 . 1 1 129 129 GLN CA C 13 53.6 0.2 . 1 . . . . 150 GLN CA . 6580 1 1107 . 1 1 129 129 GLN N N 15 122.2 0.2 . 1 . . . . 150 GLN N . 6580 1 1108 . 1 1 131 131 PRO C C 13 176.6 0.2 . 1 . . . . 152 PRO C . 6580 1 1109 . 1 1 131 131 PRO CA C 13 63.2 0.2 . 1 . . . . 152 PRO CA . 6580 1 1110 . 1 1 131 131 PRO CB C 13 32.3 0.2 . 1 . . . . 152 PRO CB . 6580 1 1111 . 1 1 132 132 ALA H H 1 8.36 0.05 . 1 . . . . 153 ALA H . 6580 1 1112 . 1 1 132 132 ALA HA H 1 4.35 0.05 . 1 . . . . 153 ALA HA . 6580 1 1113 . 1 1 132 132 ALA HB1 H 1 1.34 0.05 . 1 . . . . 153 ALA HB . 6580 1 1114 . 1 1 132 132 ALA HB2 H 1 1.34 0.05 . 1 . . . . 153 ALA HB . 6580 1 1115 . 1 1 132 132 ALA HB3 H 1 1.34 0.05 . 1 . . . . 153 ALA HB . 6580 1 1116 . 1 1 132 132 ALA C C 13 177.7 0.2 . 1 . . . . 153 ALA C . 6580 1 1117 . 1 1 132 132 ALA CA C 13 52.9 0.2 . 1 . . . . 153 ALA CA . 6580 1 1118 . 1 1 132 132 ALA CB C 13 19.3 0.2 . 1 . . . . 153 ALA CB . 6580 1 1119 . 1 1 132 132 ALA N N 15 123.8 0.2 . 1 . . . . 153 ALA N . 6580 1 1120 . 1 1 133 133 GLN H H 1 8.22 0.05 . 1 . . . . 154 GLN H . 6580 1 1121 . 1 1 133 133 GLN HA H 1 4.19 0.05 . 1 . . . . 154 GLN HA . 6580 1 1122 . 1 1 133 133 GLN HB2 H 1 1.90 0.05 . 2 . . . . 154 GLN HB2 . 6580 1 1123 . 1 1 133 133 GLN HB3 H 1 2.00 0.05 . 2 . . . . 154 GLN HB3 . 6580 1 1124 . 1 1 133 133 GLN C C 13 175.2 0.2 . 1 . . . . 154 GLN C . 6580 1 1125 . 1 1 133 133 GLN CA C 13 55.7 0.2 . 1 . . . . 154 GLN CA . 6580 1 1126 . 1 1 133 133 GLN CB C 13 30.1 0.2 . 1 . . . . 154 GLN CB . 6580 1 1127 . 1 1 133 133 GLN N N 15 118.8 0.2 . 1 . . . . 154 GLN N . 6580 1 1128 . 1 1 134 134 ALA HA H 1 4.25 0.05 . 1 . . . . 155 ALA HA . 6580 1 1129 . 1 1 134 134 ALA HB1 H 1 1.27 0.05 . 1 . . . . 155 ALA HB . 6580 1 1130 . 1 1 134 134 ALA HB2 H 1 1.27 0.05 . 1 . . . . 155 ALA HB . 6580 1 1131 . 1 1 134 134 ALA HB3 H 1 1.27 0.05 . 1 . . . . 155 ALA HB . 6580 1 1132 . 1 1 134 134 ALA C C 13 177.2 0.2 . 1 . . . . 155 ALA C . 6580 1 1133 . 1 1 134 134 ALA CA C 13 52.4 0.2 . 1 . . . . 155 ALA CA . 6580 1 1134 . 1 1 134 134 ALA CB C 13 19.6 0.2 . 1 . . . . 155 ALA CB . 6580 1 1135 . 1 1 134 134 ALA N N 15 125.4 0.2 . 1 . . . . 155 ALA N . 6580 1 1136 . 1 1 135 135 LEU H H 1 8.25 0.05 . 1 . . . . 156 LEU H . 6580 1 1137 . 1 1 135 135 LEU HA H 1 4.27 0.05 . 1 . . . . 156 LEU HA . 6580 1 1138 . 1 1 135 135 LEU CA C 13 53.4 0.2 . 1 . . . . 156 LEU CA . 6580 1 1139 . 1 1 135 135 LEU N N 15 123.1 0.2 . 1 . . . . 156 LEU N . 6580 1 1140 . 1 1 136 136 PRO C C 13 177.5 0.2 . 1 . . . . 157 PRO C . 6580 1 1141 . 1 1 136 136 PRO CA C 13 63.8 0.2 . 1 . . . . 157 PRO CA . 6580 1 1142 . 1 1 136 136 PRO CB C 13 32.3 0.2 . 1 . . . . 157 PRO CB . 6580 1 1143 . 1 1 137 137 GLY H H 1 8.54 0.05 . 1 . . . . 158 GLY H . 6580 1 1144 . 1 1 137 137 GLY HA2 H 1 4.35 0.05 . 1 . . . . 158 GLY HA2 . 6580 1 1145 . 1 1 137 137 GLY HA3 H 1 4.35 0.05 . 1 . . . . 158 GLY HA3 . 6580 1 1146 . 1 1 137 137 GLY C C 13 174.1 0.2 . 1 . . . . 158 GLY C . 6580 1 1147 . 1 1 137 137 GLY CA C 13 45.7 0.2 . 1 . . . . 158 GLY CA . 6580 1 1148 . 1 1 137 137 GLY N N 15 109.9 0.2 . 1 . . . . 158 GLY N . 6580 1 1149 . 1 1 138 138 SER H H 1 8.05 0.05 . 1 . . . . 159 SER H . 6580 1 1150 . 1 1 138 138 SER HA H 1 4.46 0.05 . 1 . . . . 159 SER HA . 6580 1 1151 . 1 1 138 138 SER C C 13 174.2 0.2 . 1 . . . . 159 SER C . 6580 1 1152 . 1 1 138 138 SER CA C 13 58.6 0.2 . 1 . . . . 159 SER CA . 6580 1 1153 . 1 1 138 138 SER CB C 13 64.1 0.2 . 1 . . . . 159 SER CB . 6580 1 1154 . 1 1 138 138 SER N N 15 115.4 0.2 . 1 . . . . 159 SER N . 6580 1 1155 . 1 1 139 139 THR HA H 1 4.18 0.05 . 1 . . . . 160 THR HA . 6580 1 1156 . 1 1 139 139 THR CA C 13 60.2 0.2 . 1 . . . . 160 THR CA . 6580 1 1157 . 1 1 139 139 THR N N 15 118.3 0.2 . 1 . . . . 160 THR N . 6580 1 1158 . 1 1 140 140 PRO CA C 13 63.4 0.2 . 1 . . . . 161 PRO CA . 6580 1 1159 . 1 1 140 140 PRO CB C 13 32.5 0.2 . 1 . . . . 161 PRO CB . 6580 1 1160 . 1 1 141 141 LYS H H 1 8.43 0.05 . 1 . . . . 162 LYS H . 6580 1 1161 . 1 1 141 141 LYS C C 13 176.0 0.2 . 1 . . . . 162 LYS C . 6580 1 1162 . 1 1 141 141 LYS CA C 13 56.6 0.2 . 1 . . . . 162 LYS CA . 6580 1 1163 . 1 1 141 141 LYS CB C 13 33.2 0.2 . 1 . . . . 162 LYS CB . 6580 1 1164 . 1 1 141 141 LYS N N 15 122.2 0.2 . 1 . . . . 162 LYS N . 6580 1 1165 . 1 1 142 142 ARG H H 1 8.17 0.05 . 1 . . . . 163 ARG H . 6580 1 1166 . 1 1 142 142 ARG HA H 1 4.17 0.05 . 1 . . . . 163 ARG HA . 6580 1 1167 . 1 1 142 142 ARG C C 13 174.4 0.2 . 1 . . . . 163 ARG C . 6580 1 1168 . 1 1 142 142 ARG CA C 13 55.6 0.2 . 1 . . . . 163 ARG CA . 6580 1 1169 . 1 1 142 142 ARG CB C 13 31.3 0.2 . 1 . . . . 163 ARG CB . 6580 1 1170 . 1 1 142 142 ARG N N 15 122.2 0.2 . 1 . . . . 163 ARG N . 6580 1 1171 . 1 1 143 143 ALA H H 1 7.83 0.05 . 1 . . . . 164 ALA H . 6580 1 1172 . 1 1 143 143 ALA HA H 1 4.14 0.05 . 1 . . . . 164 ALA HA . 6580 1 1173 . 1 1 143 143 ALA HB1 H 1 1.07 0.05 . 1 . . . . 164 ALA HB . 6580 1 1174 . 1 1 143 143 ALA HB2 H 1 1.07 0.05 . 1 . . . . 164 ALA HB . 6580 1 1175 . 1 1 143 143 ALA HB3 H 1 1.07 0.05 . 1 . . . . 164 ALA HB . 6580 1 1176 . 1 1 143 143 ALA C C 13 174.8 0.2 . 1 . . . . 164 ALA C . 6580 1 1177 . 1 1 143 143 ALA CA C 13 51.7 0.2 . 1 . . . . 164 ALA CA . 6580 1 1178 . 1 1 143 143 ALA CB C 13 20.8 0.2 . 1 . . . . 164 ALA CB . 6580 1 1179 . 1 1 143 143 ALA N N 15 125.6 0.2 . 1 . . . . 164 ALA N . 6580 1 1180 . 1 1 144 144 TYR H H 1 7.86 0.05 . 1 . . . . 165 TYR H . 6580 1 1181 . 1 1 144 144 TYR HA H 1 5.44 0.05 . 1 . . . . 165 TYR HA . 6580 1 1182 . 1 1 144 144 TYR HB2 H 1 2.88 0.05 . 2 . . . . 165 TYR HB2 . 6580 1 1183 . 1 1 144 144 TYR HB3 H 1 2.69 0.05 . 2 . . . . 165 TYR HB3 . 6580 1 1184 . 1 1 144 144 TYR HD1 H 1 7.07 0.05 . 1 . . . . 165 TYR HD1 . 6580 1 1185 . 1 1 144 144 TYR HD2 H 1 7.07 0.05 . 1 . . . . 165 TYR HD2 . 6580 1 1186 . 1 1 144 144 TYR HE1 H 1 6.71 0.05 . 1 . . . . 165 TYR HE1 . 6580 1 1187 . 1 1 144 144 TYR HE2 H 1 6.71 0.05 . 1 . . . . 165 TYR HE2 . 6580 1 1188 . 1 1 144 144 TYR C C 13 175.4 0.2 . 1 . . . . 165 TYR C . 6580 1 1189 . 1 1 144 144 TYR CA C 13 54.7 0.2 . 1 . . . . 165 TYR CA . 6580 1 1190 . 1 1 144 144 TYR CB C 13 42.6 0.2 . 1 . . . . 165 TYR CB . 6580 1 1191 . 1 1 144 144 TYR N N 15 119.9 0.2 . 1 . . . . 165 TYR N . 6580 1 1192 . 1 1 145 145 TYR H H 1 8.33 0.05 . 1 . . . . 166 TYR H . 6580 1 1193 . 1 1 145 145 TYR HA H 1 5.22 0.05 . 1 . . . . 166 TYR HA . 6580 1 1194 . 1 1 145 145 TYR HB2 H 1 2.42 0.05 . 2 . . . . 166 TYR HB2 . 6580 1 1195 . 1 1 145 145 TYR HB3 H 1 2.72 0.05 . 2 . . . . 166 TYR HB3 . 6580 1 1196 . 1 1 145 145 TYR HD1 H 1 6.57 0.05 . 1 . . . . 166 TYR HD1 . 6580 1 1197 . 1 1 145 145 TYR HD2 H 1 6.57 0.05 . 1 . . . . 166 TYR HD2 . 6580 1 1198 . 1 1 145 145 TYR HE1 H 1 6.53 0.05 . 1 . . . . 166 TYR HE1 . 6580 1 1199 . 1 1 145 145 TYR HE2 H 1 6.53 0.05 . 1 . . . . 166 TYR HE2 . 6580 1 1200 . 1 1 145 145 TYR C C 13 173.3 0.2 . 1 . . . . 166 TYR C . 6580 1 1201 . 1 1 145 145 TYR CA C 13 56.4 0.2 . 1 . . . . 166 TYR CA . 6580 1 1202 . 1 1 145 145 TYR CB C 13 42.5 0.2 . 1 . . . . 166 TYR CB . 6580 1 1203 . 1 1 145 145 TYR N N 15 119.0 0.2 . 1 . . . . 166 TYR N . 6580 1 1204 . 1 1 146 146 ILE H H 1 9.47 0.05 . 1 . . . . 167 ILE H . 6580 1 1205 . 1 1 146 146 ILE HA H 1 4.60 0.05 . 1 . . . . 167 ILE HA . 6580 1 1206 . 1 1 146 146 ILE HB H 1 1.70 0.05 . 1 . . . . 167 ILE HB . 6580 1 1207 . 1 1 146 146 ILE HG12 H 1 1.45 0.05 . 1 . . . . 167 ILE HG12 . 6580 1 1208 . 1 1 146 146 ILE HG13 H 1 1.45 0.05 . 1 . . . . 167 ILE HG13 . 6580 1 1209 . 1 1 146 146 ILE HG21 H 1 0.87 0.05 . 1 . . . . 167 ILE HG2 . 6580 1 1210 . 1 1 146 146 ILE HG22 H 1 0.87 0.05 . 1 . . . . 167 ILE HG2 . 6580 1 1211 . 1 1 146 146 ILE HG23 H 1 0.87 0.05 . 1 . . . . 167 ILE HG2 . 6580 1 1212 . 1 1 146 146 ILE HD11 H 1 0.63 0.05 . 1 . . . . 167 ILE HD1 . 6580 1 1213 . 1 1 146 146 ILE HD12 H 1 0.63 0.05 . 1 . . . . 167 ILE HD1 . 6580 1 1214 . 1 1 146 146 ILE HD13 H 1 0.63 0.05 . 1 . . . . 167 ILE HD1 . 6580 1 1215 . 1 1 146 146 ILE C C 13 174.9 0.2 . 1 . . . . 167 ILE C . 6580 1 1216 . 1 1 146 146 ILE CA C 13 60.6 0.2 . 1 . . . . 167 ILE CA . 6580 1 1217 . 1 1 146 146 ILE CB C 13 41.8 0.2 . 1 . . . . 167 ILE CB . 6580 1 1218 . 1 1 146 146 ILE CG2 C 13 18.5 0.2 . 1 . . . . 167 ILE CG2 . 6580 1 1219 . 1 1 146 146 ILE CD1 C 13 14.6 0.2 . 1 . . . . 167 ILE CD1 . 6580 1 1220 . 1 1 146 146 ILE N N 15 119.5 0.2 . 1 . . . . 167 ILE N . 6580 1 1221 . 1 1 147 147 TYR H H 1 9.37 0.05 . 1 . . . . 168 TYR H . 6580 1 1222 . 1 1 147 147 TYR HA H 1 5.28 0.05 . 1 . . . . 168 TYR HA . 6580 1 1223 . 1 1 147 147 TYR HB2 H 1 2.96 0.05 . 2 . . . . 168 TYR HB2 . 6580 1 1224 . 1 1 147 147 TYR HB3 H 1 2.74 0.05 . 2 . . . . 168 TYR HB3 . 6580 1 1225 . 1 1 147 147 TYR HD1 H 1 6.56 0.05 . 1 . . . . 168 TYR HD1 . 6580 1 1226 . 1 1 147 147 TYR HD2 H 1 6.56 0.05 . 1 . . . . 168 TYR HD2 . 6580 1 1227 . 1 1 147 147 TYR HE1 H 1 6.86 0.05 . 1 . . . . 168 TYR HE1 . 6580 1 1228 . 1 1 147 147 TYR HE2 H 1 6.86 0.05 . 1 . . . . 168 TYR HE2 . 6580 1 1229 . 1 1 147 147 TYR C C 13 176.2 0.2 . 1 . . . . 168 TYR C . 6580 1 1230 . 1 1 147 147 TYR CA C 13 57.6 0.2 . 1 . . . . 168 TYR CA . 6580 1 1231 . 1 1 147 147 TYR CB C 13 39.4 0.2 . 1 . . . . 168 TYR CB . 6580 1 1232 . 1 1 147 147 TYR N N 15 127.2 0.2 . 1 . . . . 168 TYR N . 6580 1 1233 . 1 1 148 148 SER H H 1 8.61 0.05 . 1 . . . . 169 SER H . 6580 1 1234 . 1 1 148 148 SER HA H 1 4.63 0.05 . 1 . . . . 169 SER HA . 6580 1 1235 . 1 1 148 148 SER HB2 H 1 3.61 0.05 . 2 . . . . 169 SER HB2 . 6580 1 1236 . 1 1 148 148 SER HB3 H 1 3.48 0.05 . 2 . . . . 169 SER HB3 . 6580 1 1237 . 1 1 148 148 SER CA C 13 57.3 0.2 . 1 . . . . 169 SER CA . 6580 1 1238 . 1 1 148 148 SER N N 15 119.0 0.2 . 1 . . . . 169 SER N . 6580 1 1239 . 1 1 149 149 GLY C C 13 174.9 0.2 . 1 . . . . 170 GLY C . 6580 1 1240 . 1 1 150 150 GLY H H 1 8.28 0.05 . 1 . . . . 171 GLY H . 6580 1 1241 . 1 1 150 150 GLY HA2 H 1 4.07 0.05 . 2 . . . . 171 GLY HA2 . 6580 1 1242 . 1 1 150 150 GLY HA3 H 1 3.72 0.05 . 2 . . . . 171 GLY HA3 . 6580 1 1243 . 1 1 150 150 GLY C C 13 173.3 0.2 . 1 . . . . 171 GLY C . 6580 1 1244 . 1 1 150 150 GLY CA C 13 45.3 0.2 . 1 . . . . 171 GLY CA . 6580 1 1245 . 1 1 150 150 GLY N N 15 108.1 0.2 . 1 . . . . 171 GLY N . 6580 1 1246 . 1 1 151 151 GLU H H 1 7.71 0.05 . 1 . . . . 172 GLU H . 6580 1 1247 . 1 1 151 151 GLU HA H 1 4.42 0.05 . 1 . . . . 172 GLU HA . 6580 1 1248 . 1 1 151 151 GLU HB2 H 1 2.20 0.05 . 4 . . . . 172 GLU HB2 . 6580 1 1249 . 1 1 151 151 GLU HB3 H 1 2.20 0.05 . 4 . . . . 172 GLU HB3 . 6580 1 1250 . 1 1 151 151 GLU HG2 H 1 2.20 0.05 . 4 . . . . 172 GLU HG2 . 6580 1 1251 . 1 1 151 151 GLU HG3 H 1 2.20 0.05 . 4 . . . . 172 GLU HG3 . 6580 1 1252 . 1 1 151 151 GLU C C 13 174.2 0.2 . 1 . . . . 172 GLU C . 6580 1 1253 . 1 1 151 151 GLU CA C 13 55.3 0.2 . 1 . . . . 172 GLU CA . 6580 1 1254 . 1 1 151 151 GLU CB C 13 32.5 0.2 . 1 . . . . 172 GLU CB . 6580 1 1255 . 1 1 151 151 GLU N N 15 120.4 0.2 . 1 . . . . 172 GLU N . 6580 1 1256 . 1 1 152 152 LYS H H 1 8.46 0.05 . 1 . . . . 173 LYS H . 6580 1 1257 . 1 1 152 152 LYS HA H 1 4.31 0.05 . 1 . . . . 173 LYS HA . 6580 1 1258 . 1 1 152 152 LYS HB2 H 1 1.92 0.05 . 1 . . . . 173 LYS HB2 . 6580 1 1259 . 1 1 152 152 LYS HB3 H 1 1.92 0.05 . 1 . . . . 173 LYS HB3 . 6580 1 1260 . 1 1 152 152 LYS C C 13 175.5 0.2 . 1 . . . . 173 LYS C . 6580 1 1261 . 1 1 152 152 LYS CA C 13 55.8 0.2 . 1 . . . . 173 LYS CA . 6580 1 1262 . 1 1 152 152 LYS CB C 13 33.0 0.2 . 1 . . . . 173 LYS CB . 6580 1 1263 . 1 1 152 152 LYS N N 15 123.6 0.2 . 1 . . . . 173 LYS N . 6580 1 1264 . 1 1 153 153 ILE H H 1 9.26 0.05 . 1 . . . . 174 ILE H . 6580 1 1265 . 1 1 153 153 ILE HA H 1 4.41 0.05 . 1 . . . . 174 ILE HA . 6580 1 1266 . 1 1 153 153 ILE HB H 1 1.92 0.05 . 1 . . . . 174 ILE HB . 6580 1 1267 . 1 1 153 153 ILE HG12 H 1 1.48 0.05 . 1 . . . . 174 ILE HG12 . 6580 1 1268 . 1 1 153 153 ILE HG13 H 1 1.48 0.05 . 1 . . . . 174 ILE HG13 . 6580 1 1269 . 1 1 153 153 ILE HG21 H 1 0.92 0.05 . 1 . . . . 174 ILE HG2 . 6580 1 1270 . 1 1 153 153 ILE HG22 H 1 0.92 0.05 . 1 . . . . 174 ILE HG2 . 6580 1 1271 . 1 1 153 153 ILE HG23 H 1 0.92 0.05 . 1 . . . . 174 ILE HG2 . 6580 1 1272 . 1 1 153 153 ILE HD11 H 1 0.77 0.05 . 1 . . . . 174 ILE HD1 . 6580 1 1273 . 1 1 153 153 ILE HD12 H 1 0.77 0.05 . 1 . . . . 174 ILE HD1 . 6580 1 1274 . 1 1 153 153 ILE HD13 H 1 0.77 0.05 . 1 . . . . 174 ILE HD1 . 6580 1 1275 . 1 1 153 153 ILE CA C 13 58.3 0.2 . 1 . . . . 174 ILE CA . 6580 1 1276 . 1 1 153 153 ILE CG2 C 13 17.1 0.2 . 1 . . . . 174 ILE CG2 . 6580 1 1277 . 1 1 153 153 ILE CD1 C 13 14.7 0.2 . 1 . . . . 174 ILE CD1 . 6580 1 1278 . 1 1 153 153 ILE N N 15 127.0 0.2 . 1 . . . . 174 ILE N . 6580 1 1279 . 1 1 154 154 PRO C C 13 175.5 0.2 . 1 . . . . 175 PRO C . 6580 1 1280 . 1 1 154 154 PRO CA C 13 63.7 0.2 . 1 . . . . 175 PRO CA . 6580 1 1281 . 1 1 154 154 PRO CB C 13 32.8 0.2 . 1 . . . . 175 PRO CB . 6580 1 1282 . 1 1 155 155 LEU H H 1 8.13 0.05 . 1 . . . . 176 LEU H . 6580 1 1283 . 1 1 155 155 LEU HA H 1 4.28 0.05 . 1 . . . . 176 LEU HA . 6580 1 1284 . 1 1 155 155 LEU HG H 1 1.14 0.05 . 1 . . . . 176 LEU HG . 6580 1 1285 . 1 1 155 155 LEU HD11 H 1 0.42 0.05 . 2 . . . . 176 LEU HD1 . 6580 1 1286 . 1 1 155 155 LEU HD12 H 1 0.42 0.05 . 2 . . . . 176 LEU HD1 . 6580 1 1287 . 1 1 155 155 LEU HD13 H 1 0.42 0.05 . 2 . . . . 176 LEU HD1 . 6580 1 1288 . 1 1 155 155 LEU HD21 H 1 0.48 0.05 . 2 . . . . 176 LEU HD2 . 6580 1 1289 . 1 1 155 155 LEU HD22 H 1 0.48 0.05 . 2 . . . . 176 LEU HD2 . 6580 1 1290 . 1 1 155 155 LEU HD23 H 1 0.48 0.05 . 2 . . . . 176 LEU HD2 . 6580 1 1291 . 1 1 155 155 LEU C C 13 174.5 0.2 . 1 . . . . 176 LEU C . 6580 1 1292 . 1 1 155 155 LEU CA C 13 54.2 0.2 . 1 . . . . 176 LEU CA . 6580 1 1293 . 1 1 155 155 LEU CB C 13 42.1 0.2 . 1 . . . . 176 LEU CB . 6580 1 1294 . 1 1 155 155 LEU CG C 13 28.1 0.2 . 1 . . . . 176 LEU CG . 6580 1 1295 . 1 1 155 155 LEU CD1 C 13 26.7 0.2 . 2 . . . . 176 LEU CD1 . 6580 1 1296 . 1 1 155 155 LEU CD2 C 13 23.7 0.2 . 2 . . . . 176 LEU CD2 . 6580 1 1297 . 1 1 155 155 LEU N N 15 125.3 0.2 . 1 . . . . 176 LEU N . 6580 1 1298 . 1 1 156 156 VAL H H 1 8.15 0.05 . 1 . . . . 177 VAL H . 6580 1 1299 . 1 1 156 156 VAL HA H 1 4.17 0.05 . 1 . . . . 177 VAL HA . 6580 1 1300 . 1 1 156 156 VAL HB H 1 1.87 0.05 . 1 . . . . 177 VAL HB . 6580 1 1301 . 1 1 156 156 VAL HG11 H 1 0.73 0.05 . 2 . . . . 177 VAL HG1 . 6580 1 1302 . 1 1 156 156 VAL HG12 H 1 0.73 0.05 . 2 . . . . 177 VAL HG1 . 6580 1 1303 . 1 1 156 156 VAL HG13 H 1 0.73 0.05 . 2 . . . . 177 VAL HG1 . 6580 1 1304 . 1 1 156 156 VAL HG21 H 1 0.79 0.05 . 2 . . . . 177 VAL HG2 . 6580 1 1305 . 1 1 156 156 VAL HG22 H 1 0.79 0.05 . 2 . . . . 177 VAL HG2 . 6580 1 1306 . 1 1 156 156 VAL HG23 H 1 0.79 0.05 . 2 . . . . 177 VAL HG2 . 6580 1 1307 . 1 1 156 156 VAL C C 13 173.9 0.2 . 1 . . . . 177 VAL C . 6580 1 1308 . 1 1 156 156 VAL CA C 13 61.9 0.2 . 1 . . . . 177 VAL CA . 6580 1 1309 . 1 1 156 156 VAL CB C 13 34.6 0.2 . 1 . . . . 177 VAL CB . 6580 1 1310 . 1 1 156 156 VAL CG1 C 13 20.9 0.2 . 2 . . . . 177 VAL CG1 . 6580 1 1311 . 1 1 156 156 VAL CG2 C 13 21.0 0.2 . 2 . . . . 177 VAL CG2 . 6580 1 1312 . 1 1 156 156 VAL N N 15 129.4 0.2 . 1 . . . . 177 VAL N . 6580 1 1313 . 1 1 157 157 LEU H H 1 8.40 0.05 . 1 . . . . 178 LEU H . 6580 1 1314 . 1 1 157 157 LEU HA H 1 4.34 0.05 . 1 . . . . 178 LEU HA . 6580 1 1315 . 1 1 157 157 LEU HG H 1 0.98 0.05 . 1 . . . . 178 LEU HG . 6580 1 1316 . 1 1 157 157 LEU HD11 H 1 0.04 0.05 . 2 . . . . 178 LEU HD1 . 6580 1 1317 . 1 1 157 157 LEU HD12 H 1 0.04 0.05 . 2 . . . . 178 LEU HD1 . 6580 1 1318 . 1 1 157 157 LEU HD13 H 1 0.04 0.05 . 2 . . . . 178 LEU HD1 . 6580 1 1319 . 1 1 157 157 LEU HD21 H 1 0.16 0.05 . 2 . . . . 178 LEU HD2 . 6580 1 1320 . 1 1 157 157 LEU HD22 H 1 0.16 0.05 . 2 . . . . 178 LEU HD2 . 6580 1 1321 . 1 1 157 157 LEU HD23 H 1 0.16 0.05 . 2 . . . . 178 LEU HD2 . 6580 1 1322 . 1 1 157 157 LEU C C 13 174.2 0.2 . 1 . . . . 178 LEU C . 6580 1 1323 . 1 1 157 157 LEU CA C 13 53.1 0.2 . 1 . . . . 178 LEU CA . 6580 1 1324 . 1 1 157 157 LEU CB C 13 41.3 0.2 . 1 . . . . 178 LEU CB . 6580 1 1325 . 1 1 157 157 LEU CG C 13 27.3 0.2 . 1 . . . . 178 LEU CG . 6580 1 1326 . 1 1 157 157 LEU CD1 C 13 24.4 0.2 . 2 . . . . 178 LEU CD1 . 6580 1 1327 . 1 1 157 157 LEU CD2 C 13 25.9 0.2 . 2 . . . . 178 LEU CD2 . 6580 1 1328 . 1 1 157 157 LEU N N 15 128.9 0.2 . 1 . . . . 178 LEU N . 6580 1 1329 . 1 1 158 158 SER H H 1 8.76 0.05 . 1 . . . . 179 SER H . 6580 1 1330 . 1 1 158 158 SER HA H 1 4.62 0.05 . 1 . . . . 179 SER HA . 6580 1 1331 . 1 1 158 158 SER C C 13 175.4 0.2 . 1 . . . . 179 SER C . 6580 1 1332 . 1 1 158 158 SER CA C 13 59.0 0.2 . 1 . . . . 179 SER CA . 6580 1 1333 . 1 1 158 158 SER CB C 13 65.6 0.2 . 1 . . . . 179 SER CB . 6580 1 1334 . 1 1 158 158 SER N N 15 113.8 0.2 . 1 . . . . 179 SER N . 6580 1 1335 . 1 1 159 159 ARG H H 1 7.74 0.05 . 1 . . . . 180 ARG H . 6580 1 1336 . 1 1 159 159 ARG HA H 1 5.64 0.05 . 1 . . . . 180 ARG HA . 6580 1 1337 . 1 1 159 159 ARG HB2 H 1 1.65 0.05 . 2 . . . . 180 ARG HB2 . 6580 1 1338 . 1 1 159 159 ARG HB3 H 1 1.54 0.05 . 2 . . . . 180 ARG HB3 . 6580 1 1339 . 1 1 159 159 ARG CA C 13 53.4 0.2 . 1 . . . . 180 ARG CA . 6580 1 1340 . 1 1 159 159 ARG N N 15 121.8 0.2 . 1 . . . . 180 ARG N . 6580 1 1341 . 1 1 160 160 PRO HA H 1 3.09 0.05 . 1 . . . . 181 PRO HA . 6580 1 1342 . 1 1 160 160 PRO C C 13 176.8 0.2 . 1 . . . . 181 PRO C . 6580 1 1343 . 1 1 160 160 PRO CA C 13 61.6 0.2 . 1 . . . . 181 PRO CA . 6580 1 1344 . 1 1 160 160 PRO CB C 13 31.9 0.2 . 1 . . . . 181 PRO CB . 6580 1 1345 . 1 1 161 161 LEU H H 1 8.54 0.05 . 1 . . . . 182 LEU H . 6580 1 1346 . 1 1 161 161 LEU HA H 1 4.31 0.05 . 1 . . . . 182 LEU HA . 6580 1 1347 . 1 1 161 161 LEU HB2 H 1 1.73 0.05 . 2 . . . . 182 LEU HB2 . 6580 1 1348 . 1 1 161 161 LEU HB3 H 1 1.77 0.05 . 2 . . . . 182 LEU HB3 . 6580 1 1349 . 1 1 161 161 LEU HG H 1 1.52 0.05 . 1 . . . . 182 LEU HG . 6580 1 1350 . 1 1 161 161 LEU HD11 H 1 0.82 0.05 . 2 . . . . 182 LEU HD1 . 6580 1 1351 . 1 1 161 161 LEU HD12 H 1 0.82 0.05 . 2 . . . . 182 LEU HD1 . 6580 1 1352 . 1 1 161 161 LEU HD13 H 1 0.82 0.05 . 2 . . . . 182 LEU HD1 . 6580 1 1353 . 1 1 161 161 LEU HD21 H 1 0.31 0.05 . 2 . . . . 182 LEU HD2 . 6580 1 1354 . 1 1 161 161 LEU HD22 H 1 0.31 0.05 . 2 . . . . 182 LEU HD2 . 6580 1 1355 . 1 1 161 161 LEU HD23 H 1 0.31 0.05 . 2 . . . . 182 LEU HD2 . 6580 1 1356 . 1 1 161 161 LEU C C 13 176.5 0.2 . 1 . . . . 182 LEU C . 6580 1 1357 . 1 1 161 161 LEU CA C 13 54.3 0.2 . 1 . . . . 182 LEU CA . 6580 1 1358 . 1 1 161 161 LEU CB C 13 42.6 0.2 . 1 . . . . 182 LEU CB . 6580 1 1359 . 1 1 161 161 LEU CG C 13 27.0 0.2 . 1 . . . . 182 LEU CG . 6580 1 1360 . 1 1 161 161 LEU CD1 C 13 24.0 0.2 . 2 . . . . 182 LEU CD1 . 6580 1 1361 . 1 1 161 161 LEU CD2 C 13 27.0 0.2 . 2 . . . . 182 LEU CD2 . 6580 1 1362 . 1 1 161 161 LEU N N 15 126.3 0.2 . 1 . . . . 182 LEU N . 6580 1 1363 . 1 1 162 162 SER H H 1 8.42 0.05 . 1 . . . . 183 SER H . 6580 1 1364 . 1 1 162 162 SER HA H 1 4.41 0.05 . 1 . . . . 183 SER HA . 6580 1 1365 . 1 1 162 162 SER C C 13 176.0 0.2 . 1 . . . . 183 SER C . 6580 1 1366 . 1 1 162 162 SER CA C 13 58.5 0.2 . 1 . . . . 183 SER CA . 6580 1 1367 . 1 1 162 162 SER CB C 13 64.3 0.2 . 1 . . . . 183 SER CB . 6580 1 1368 . 1 1 162 162 SER N N 15 122.3 0.2 . 1 . . . . 183 SER N . 6580 1 1369 . 1 1 163 163 SER H H 1 8.70 0.05 . 1 . . . . 184 SER H . 6580 1 1370 . 1 1 163 163 SER HA H 1 4.42 0.05 . 1 . . . . 184 SER HA . 6580 1 1371 . 1 1 163 163 SER C C 13 174.8 0.2 . 1 . . . . 184 SER C . 6580 1 1372 . 1 1 163 163 SER CA C 13 57.7 0.2 . 1 . . . . 184 SER CA . 6580 1 1373 . 1 1 163 163 SER CB C 13 63.2 0.2 . 1 . . . . 184 SER CB . 6580 1 1374 . 1 1 163 163 SER N N 15 120.4 0.2 . 1 . . . . 184 SER N . 6580 1 1375 . 1 1 164 164 ASN H H 1 8.01 0.05 . 1 . . . . 185 ASN H . 6580 1 1376 . 1 1 164 164 ASN C C 13 175.4 0.2 . 1 . . . . 185 ASN C . 6580 1 1377 . 1 1 164 164 ASN CA C 13 53.9 0.2 . 1 . . . . 185 ASN CA . 6580 1 1378 . 1 1 164 164 ASN CB C 13 38.6 0.2 . 1 . . . . 185 ASN CB . 6580 1 1379 . 1 1 164 164 ASN N N 15 120.4 0.2 . 1 . . . . 185 ASN N . 6580 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 46 6580 1 1 47 6580 1 1 48 6580 1 1 49 6580 1 2 1249 6580 1 2 1250 6580 1 2 1251 6580 1 2 1252 6580 1 stop_ save_