data_11508 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11508 _Entry.Title ; Solution structure of the SH2 domain of Csk in complex with a phosphopeptide from Cbp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-10 _Entry.Accession_date 2012-09-14 _Entry.Last_release_date 2013-04-08 _Entry.Original_release_date 2013-04-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hiroaki Tanaka . . . 11508 2 Ken-ichi Akagi . . . 11508 3 Chitose Oneyama . . . 11508 4 Masakazu Tanaka . . . 11508 5 Yuichi Sasaki . . . 11508 6 Takashi Kanou . . . 11508 7 Young-Ho Lee . . . 11508 8 Daisuke Yokogawa . . . 11508 9 Marc-Werner Debenecker . . . 11508 10 Atsushi Nakagawa . . . 11508 11 Masato Okada . . . 11508 12 Takahisa Ikegami . . . 11508 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11508 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Cbp . 11508 Csk . 11508 nmr . 11508 'SH2 domain' . 11508 'solution structure' . 11508 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11508 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 581 11508 '15N chemical shifts' 137 11508 '1H chemical shifts' 887 11508 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 . . 2013-04-08 2012-09-10 original author . 11508 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSY 'BMRB Entry Tracking System' 11508 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11508 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'A new SH2 domain binding mode of C-terminal Src kianse to Cbp/PAG"' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Hiroaki Tanaka . . . 11508 1 2 Ken-ichi Akagi . . . 11508 1 3 Chitose Oneyama . . . 11508 1 4 Masakazu Tanaka . . . 11508 1 5 Yuichi Sasaki . . . 11508 1 6 Takashi Kanou . . . 11508 1 7 Young-Ho Lee . . . 11508 1 8 Daisuke Yokogawa . . . 11508 1 9 Marc-Werner Debenecker . . . 11508 1 10 Atsushi Nakagawa . . . 11508 1 11 Masato Okada . . . 11508 1 12 Takahisa Ikegami . . . 11508 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11508 _Assembly.ID 1 _Assembly.Name 'Csk_SH2:Cbp_phosphopeptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $Csk_SH2_domain A . yes native no no . . . 11508 1 2 entity_2 2 $Cbp_phosphopeptide B . yes native no no . . . 11508 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 48 48 SG . 1 entity_1 1 CYS 90 90 SG . . 122 CYS . . . 164 CYS . 11508 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 48 48 HG . 122 . . 11508 1 2 . 1 1 CYS 90 90 HG . 164 . . 11508 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Csk_SH2_domain _Entity.Sf_category entity _Entity.Sf_framecode Csk_SH2_domain _Entity.Entry_ID 11508 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Csk_SH2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMPWFHGKITREQAER LLYPPETGLFLVRESTNYPG DYTLCVSCEGKVEHYRIMYH ASKLSIDEEVYFENLMQLVE HYTTDADGLCTRLIKPKVM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non native affinity tag' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Src homology 2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11473.218 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P32577 . Csk . . . . . . . . . . . . . . 11508 1 2 no PDB 1K9A . "Crystal Structure Analysis Of Full-Length Carboxyl-Terminal Src Kinase At 2.5 A Resolution" . . . . . 97.98 450 97.94 97.94 2.82e-60 . . . . 11508 1 3 no PDB 2RSY . "Solution Structure Of The Sh2 Domain Of Csk In Complex With A Phosphopeptide From Cbp" . . . . . 100.00 99 100.00 100.00 5.92e-67 . . . . 11508 1 4 no DBJ BAE23297 . "unnamed protein product [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.97e-60 . . . . 11508 1 5 no DBJ BAE33565 . "unnamed protein product [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 1 6 no DBJ BAE42047 . "unnamed protein product [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 1 7 no DBJ BAG60052 . "unnamed protein product [Homo sapiens]" . . . . . 94.95 371 97.87 100.00 7.67e-60 . . . . 11508 1 8 no EMBL CAA41484 . "protein-tyrosine kinase (CSK) [Rattus sp.]" . . . . . 97.98 450 97.94 97.94 2.82e-60 . . . . 11508 1 9 no GB AAA18766 . "Csk [Mus musculus]" . . . . . 97.98 450 97.94 97.94 1.94e-60 . . . . 11508 1 10 no GB AAH18394 . "C-src tyrosine kinase [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 1 11 no GB AAH52006 . "C-src tyrosine kinase [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 1 12 no GB AAH98863 . "C-src tyrosine kinase [Rattus norvegicus]" . . . . . 97.98 450 97.94 97.94 2.82e-60 . . . . 11508 1 13 no GB AAX90624 . "c-src tyrosine kinase [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 1 14 no PRF 1709363A . "protein Tyr kinase CSK" . . . . . 97.98 450 97.94 97.94 2.82e-60 . . . . 11508 1 15 no REF NP_001025210 . "tyrosine-protein kinase CSK [Rattus norvegicus]" . . . . . 97.98 450 97.94 97.94 2.82e-60 . . . . 11508 1 16 no REF NP_001291690 . "tyrosine-protein kinase CSK [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 1 17 no REF NP_031809 . "tyrosine-protein kinase CSK [Mus musculus]" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 1 18 no REF XP_003463668 . "PREDICTED: tyrosine-protein kinase CSK [Cavia porcellus]" . . . . . 97.98 450 96.91 97.94 7.58e-60 . . . . 11508 1 19 no REF XP_004628790 . "PREDICTED: tyrosine-protein kinase CSK [Octodon degus]" . . . . . 97.98 450 96.91 97.94 6.39e-60 . . . . 11508 1 20 no SP P32577 . "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase" . . . . . 97.98 450 97.94 97.94 2.82e-60 . . . . 11508 1 21 no SP P41241 . "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase; AltName: Full=Protein-tyrosine kinase MPK-2; AltName: Fu" . . . . . 97.98 450 97.94 97.94 2.85e-60 . . . . 11508 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 75 GLY . 11508 1 2 76 PRO . 11508 1 3 77 LEU . 11508 1 4 78 GLY . 11508 1 5 79 SER . 11508 1 6 80 MET . 11508 1 7 81 PRO . 11508 1 8 82 TRP . 11508 1 9 83 PHE . 11508 1 10 84 HIS . 11508 1 11 85 GLY . 11508 1 12 86 LYS . 11508 1 13 87 ILE . 11508 1 14 88 THR . 11508 1 15 89 ARG . 11508 1 16 90 GLU . 11508 1 17 91 GLN . 11508 1 18 92 ALA . 11508 1 19 93 GLU . 11508 1 20 94 ARG . 11508 1 21 95 LEU . 11508 1 22 96 LEU . 11508 1 23 97 TYR . 11508 1 24 98 PRO . 11508 1 25 99 PRO . 11508 1 26 100 GLU . 11508 1 27 101 THR . 11508 1 28 102 GLY . 11508 1 29 103 LEU . 11508 1 30 104 PHE . 11508 1 31 105 LEU . 11508 1 32 106 VAL . 11508 1 33 107 ARG . 11508 1 34 108 GLU . 11508 1 35 109 SER . 11508 1 36 110 THR . 11508 1 37 111 ASN . 11508 1 38 112 TYR . 11508 1 39 113 PRO . 11508 1 40 114 GLY . 11508 1 41 115 ASP . 11508 1 42 116 TYR . 11508 1 43 117 THR . 11508 1 44 118 LEU . 11508 1 45 119 CYS . 11508 1 46 120 VAL . 11508 1 47 121 SER . 11508 1 48 122 CYS . 11508 1 49 123 GLU . 11508 1 50 124 GLY . 11508 1 51 125 LYS . 11508 1 52 126 VAL . 11508 1 53 127 GLU . 11508 1 54 128 HIS . 11508 1 55 129 TYR . 11508 1 56 130 ARG . 11508 1 57 131 ILE . 11508 1 58 132 MET . 11508 1 59 133 TYR . 11508 1 60 134 HIS . 11508 1 61 135 ALA . 11508 1 62 136 SER . 11508 1 63 137 LYS . 11508 1 64 138 LEU . 11508 1 65 139 SER . 11508 1 66 140 ILE . 11508 1 67 141 ASP . 11508 1 68 142 GLU . 11508 1 69 143 GLU . 11508 1 70 144 VAL . 11508 1 71 145 TYR . 11508 1 72 146 PHE . 11508 1 73 147 GLU . 11508 1 74 148 ASN . 11508 1 75 149 LEU . 11508 1 76 150 MET . 11508 1 77 151 GLN . 11508 1 78 152 LEU . 11508 1 79 153 VAL . 11508 1 80 154 GLU . 11508 1 81 155 HIS . 11508 1 82 156 TYR . 11508 1 83 157 THR . 11508 1 84 158 THR . 11508 1 85 159 ASP . 11508 1 86 160 ALA . 11508 1 87 161 ASP . 11508 1 88 162 GLY . 11508 1 89 163 LEU . 11508 1 90 164 CYS . 11508 1 91 165 THR . 11508 1 92 166 ARG . 11508 1 93 167 LEU . 11508 1 94 168 ILE . 11508 1 95 169 LYS . 11508 1 96 170 PRO . 11508 1 97 171 LYS . 11508 1 98 172 VAL . 11508 1 99 173 MET . 11508 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11508 1 . PRO 2 2 11508 1 . LEU 3 3 11508 1 . GLY 4 4 11508 1 . SER 5 5 11508 1 . MET 6 6 11508 1 . PRO 7 7 11508 1 . TRP 8 8 11508 1 . PHE 9 9 11508 1 . HIS 10 10 11508 1 . GLY 11 11 11508 1 . LYS 12 12 11508 1 . ILE 13 13 11508 1 . THR 14 14 11508 1 . ARG 15 15 11508 1 . GLU 16 16 11508 1 . GLN 17 17 11508 1 . ALA 18 18 11508 1 . GLU 19 19 11508 1 . ARG 20 20 11508 1 . LEU 21 21 11508 1 . LEU 22 22 11508 1 . TYR 23 23 11508 1 . PRO 24 24 11508 1 . PRO 25 25 11508 1 . GLU 26 26 11508 1 . THR 27 27 11508 1 . GLY 28 28 11508 1 . LEU 29 29 11508 1 . PHE 30 30 11508 1 . LEU 31 31 11508 1 . VAL 32 32 11508 1 . ARG 33 33 11508 1 . GLU 34 34 11508 1 . SER 35 35 11508 1 . THR 36 36 11508 1 . ASN 37 37 11508 1 . TYR 38 38 11508 1 . PRO 39 39 11508 1 . GLY 40 40 11508 1 . ASP 41 41 11508 1 . TYR 42 42 11508 1 . THR 43 43 11508 1 . LEU 44 44 11508 1 . CYS 45 45 11508 1 . VAL 46 46 11508 1 . SER 47 47 11508 1 . CYS 48 48 11508 1 . GLU 49 49 11508 1 . GLY 50 50 11508 1 . LYS 51 51 11508 1 . VAL 52 52 11508 1 . GLU 53 53 11508 1 . HIS 54 54 11508 1 . TYR 55 55 11508 1 . ARG 56 56 11508 1 . ILE 57 57 11508 1 . MET 58 58 11508 1 . TYR 59 59 11508 1 . HIS 60 60 11508 1 . ALA 61 61 11508 1 . SER 62 62 11508 1 . LYS 63 63 11508 1 . LEU 64 64 11508 1 . SER 65 65 11508 1 . ILE 66 66 11508 1 . ASP 67 67 11508 1 . GLU 68 68 11508 1 . GLU 69 69 11508 1 . VAL 70 70 11508 1 . TYR 71 71 11508 1 . PHE 72 72 11508 1 . GLU 73 73 11508 1 . ASN 74 74 11508 1 . LEU 75 75 11508 1 . MET 76 76 11508 1 . GLN 77 77 11508 1 . LEU 78 78 11508 1 . VAL 79 79 11508 1 . GLU 80 80 11508 1 . HIS 81 81 11508 1 . TYR 82 82 11508 1 . THR 83 83 11508 1 . THR 84 84 11508 1 . ASP 85 85 11508 1 . ALA 86 86 11508 1 . ASP 87 87 11508 1 . GLY 88 88 11508 1 . LEU 89 89 11508 1 . CYS 90 90 11508 1 . THR 91 91 11508 1 . ARG 92 92 11508 1 . LEU 93 93 11508 1 . ILE 94 94 11508 1 . LYS 95 95 11508 1 . PRO 96 96 11508 1 . LYS 97 97 11508 1 . VAL 98 98 11508 1 . MET 99 99 11508 1 stop_ save_ save_Cbp_phosphopeptide _Entity.Sf_category entity _Entity.Sf_framecode Cbp_phosphopeptide _Entity.Entry_ID 11508 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Cbp_phosphopeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSKRFSSLSYKSREEDP TLTEEEISAMXSSVNKPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native affinity tag' _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 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Cbp (289-321)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4263.602 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9JM80 . Cbp . . . . . . . . . . . . . . 11508 2 2 no PDB 2RSY . "Solution Structure Of The Sh2 Domain Of Csk In Complex With A Phosphopeptide From Cbp" . . . . . 100.00 38 100.00 100.00 7.52e-16 . . . . 11508 2 3 no DBJ BAA95413 . "Csk binding protein Cbp [Rattus norvegicus]" . . . . . 89.47 424 97.06 97.06 5.60e-11 . . . . 11508 2 4 no DBJ BAC30545 . "unnamed protein product [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 5 no DBJ BAC40842 . "unnamed protein product [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 6 no DBJ BAE33539 . "unnamed protein product [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.37e-11 . . . . 11508 2 7 no DBJ BAE42829 . "unnamed protein product [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 8 no GB AAG44565 . "phosphoprotein-associated with GEMs [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.47e-11 . . . . 11508 2 9 no GB AAI45329 . "Pag1 protein [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 10 no GB AAI45762 . "Pag1 protein [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 11 no GB AAI45764 . "Pag1 protein [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 12 no GB EDL05179 . "phosphoprotein associated with glycosphingolipid microdomains 1, isoform CRA_a [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 13 no REF NP_001181960 . "phosphoprotein associated with glycosphingolipid-enriched microdomains 1 [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 14 no REF NP_071589 . "phosphoprotein associated with glycosphingolipid-enriched microdomains 1 [Rattus norvegicus]" . . . . . 89.47 424 97.06 97.06 5.60e-11 . . . . 11508 2 15 no REF NP_444412 . "phosphoprotein associated with glycosphingolipid-enriched microdomains 1 [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 16 no REF XP_005066844 . "PREDICTED: phosphoprotein associated with glycosphingolipid-enriched microdomains 1 [Mesocricetus auratus]" . . . . . 86.84 429 96.97 96.97 1.84e-10 . . . . 11508 2 17 no REF XP_006530170 . "PREDICTED: phosphoprotein associated with glycosphingolipid-enriched microdomains 1 isoform X1 [Mus musculus]" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 18 no SP Q3U1F9 . "RecName: Full=Phosphoprotein associated with glycosphingolipid-enriched microdomains 1; AltName: Full=Csk-binding protein; AltN" . . . . . 89.47 429 97.06 97.06 5.42e-11 . . . . 11508 2 19 no SP Q9JM80 . "RecName: Full=Phosphoprotein associated with glycosphingolipid-enriched microdomains 1; AltName: Full=Csk-binding protein; AltN" . . . . . 89.47 424 97.06 97.06 5.60e-11 . . . . 11508 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 . GLY . 11508 2 2 . PRO . 11508 2 3 . LEU . 11508 2 4 . GLY . 11508 2 5 . SER . 11508 2 6 . LYS . 11508 2 7 . ARG . 11508 2 8 . PHE . 11508 2 9 . SER . 11508 2 10 . SER . 11508 2 11 . LEU . 11508 2 12 . SER . 11508 2 13 . TYR . 11508 2 14 . LYS . 11508 2 15 . SER . 11508 2 16 . ARG . 11508 2 17 . GLU . 11508 2 18 . GLU . 11508 2 19 . ASP . 11508 2 20 . PRO . 11508 2 21 . THR . 11508 2 22 . LEU . 11508 2 23 . THR . 11508 2 24 . GLU . 11508 2 25 . GLU . 11508 2 26 . GLU . 11508 2 27 . ILE . 11508 2 28 . SER . 11508 2 29 . ALA . 11508 2 30 . MET . 11508 2 31 . PTR . 11508 2 32 . SER . 11508 2 33 . SER . 11508 2 34 . VAL . 11508 2 35 . ASN . 11508 2 36 . LYS . 11508 2 37 . PRO . 11508 2 38 . GLY . 11508 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 . GLY 1 1 11508 2 . PRO 2 2 11508 2 . LEU 3 3 11508 2 . GLY 4 4 11508 2 . SER 5 5 11508 2 . LYS 6 6 11508 2 . ARG 7 7 11508 2 . PHE 8 8 11508 2 . SER 9 9 11508 2 . SER 10 10 11508 2 . LEU 11 11 11508 2 . SER 12 12 11508 2 . TYR 13 13 11508 2 . LYS 14 14 11508 2 . SER 15 15 11508 2 . ARG 16 16 11508 2 . GLU 17 17 11508 2 . GLU 18 18 11508 2 . ASP 19 19 11508 2 . PRO 20 20 11508 2 . THR 21 21 11508 2 . LEU 22 22 11508 2 . THR 23 23 11508 2 . GLU 24 24 11508 2 . GLU 25 25 11508 2 . GLU 26 26 11508 2 . ILE 27 27 11508 2 . SER 28 28 11508 2 . ALA 29 29 11508 2 . MET 30 30 11508 2 . PTR 31 31 11508 2 . SER 32 32 11508 2 . SER 33 33 11508 2 . VAL 34 34 11508 2 . ASN 35 35 11508 2 . LYS 36 36 11508 2 . PRO 37 37 11508 2 . GLY 38 38 11508 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 11508 _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 $Csk_SH2_domain . 10116 organism . 'Rattus norvegicus' Rat . . Eukayota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 11508 1 2 2 $Cbp_phosphopeptide . 10116 organism . 'Rattus norvegicus' Rat . . Eukayota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 11508 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 11508 _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 $Csk_SH2_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli 'Origami B (DE3)' . . . . . . . . . . . . . . . pGEX-6p-1 . . . . . . 11508 1 2 2 $Cbp_phosphopeptide . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-6p-1 . . . . . . 11508 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 11508 _Chem_comp.ID PTR _Chem_comp.Provenance PDB _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PTR _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _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 29 _Chem_comp.Number_atoms_nh 17 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code 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 _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 . _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 11508 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11508 PTR DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 11508 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 11508 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 11508 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 11508 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 11508 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 11508 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 11508 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 . N . . N 0 . . . 1 no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 11508 PTR CA CA CA CA . C . . S 0 . . . 1 no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 11508 PTR C C C C . C . . N 0 . . . 1 no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 11508 PTR O O O O . O . . N 0 . . . 1 no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 11508 PTR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 11508 PTR CB CB CB CB . C . . N 0 . . . 1 no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 11508 PTR CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 11508 PTR CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 11508 PTR CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 11508 PTR CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 11508 PTR CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 11508 PTR CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 11508 PTR OH OH OH OH . O . . N 0 . . . 1 no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 11508 PTR P P P P . P . . N 0 . . . 1 no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 11508 PTR O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 11508 PTR O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 11508 PTR O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 11508 PTR H H H 1HN . H . . N 0 . . . 1 no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 11508 PTR HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 11508 PTR HA HA HA HA . H . . N 0 . . . 1 no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 11508 PTR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 11508 PTR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 11508 PTR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 11508 PTR HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 11508 PTR HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 11508 PTR HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 11508 PTR HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 11508 PTR HO2P HO2P HO2P PHO2 . H . . N 0 . . . 0 no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 11508 PTR HO3P HO3P HO3P PHO3 . H . . N 0 . . . 0 no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 11508 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 . 11508 PTR 2 . SING N H no N 2 . 11508 PTR 3 . SING N HN2 no N 3 . 11508 PTR 4 . SING CA C no N 4 . 11508 PTR 5 . SING CA CB no N 5 . 11508 PTR 6 . SING CA HA no N 6 . 11508 PTR 7 . DOUB C O no N 7 . 11508 PTR 8 . SING C OXT no N 8 . 11508 PTR 9 . SING OXT HXT no N 9 . 11508 PTR 10 . SING CB CG no N 10 . 11508 PTR 11 . SING CB HB2 no N 11 . 11508 PTR 12 . SING CB HB3 no N 12 . 11508 PTR 13 . DOUB CG CD1 yes N 13 . 11508 PTR 14 . SING CG CD2 yes N 14 . 11508 PTR 15 . SING CD1 CE1 yes N 15 . 11508 PTR 16 . SING CD1 HD1 no N 16 . 11508 PTR 17 . DOUB CD2 CE2 yes N 17 . 11508 PTR 18 . SING CD2 HD2 no N 18 . 11508 PTR 19 . DOUB CE1 CZ yes N 19 . 11508 PTR 20 . SING CE1 HE1 no N 20 . 11508 PTR 21 . SING CE2 CZ yes N 21 . 11508 PTR 22 . SING CE2 HE2 no N 22 . 11508 PTR 23 . SING CZ OH no N 23 . 11508 PTR 24 . SING OH P no N 24 . 11508 PTR 25 . DOUB P O1P no N 25 . 11508 PTR 26 . SING P O2P no N 26 . 11508 PTR 27 . SING P O3P no N 27 . 11508 PTR 28 . SING O2P HO2P no N 28 . 11508 PTR 29 . SING O3P HO3P no N 29 . 11508 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11508 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Csk SH2 domain' '[U-13C; U-15N]' . . 1 $Csk_SH2_domain . protein . 0.5 1.0 mM . . . . 11508 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11508 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11508 1 4 'Cbp phosphopeptide' 'natural abundance' . . 2 $Cbp_phosphopeptide . protein . 0.5 1.0 mM . . . . 11508 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11508 1 6 D2O '[U-99% 2H]' . . . . . solvent 10 . . % . . . . 11508 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11508 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Csk SH2 domain' [U-15N] . . 1 $Csk_SH2_domain . protein . 0.5 1.0 mM . . . . 11508 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11508 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11508 2 4 'Cbp phosphopeptide' 'natural abundance' . . 2 $Cbp_phosphopeptide . protein . 0.5 1.0 mM . . . . 11508 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11508 2 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 11508 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11508 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cbp phosphopeptide' '[U-13C; U-15N]' . . 2 $Cbp_phosphopeptide . protein . 0.5 1.0 mM . . . . 11508 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11508 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11508 3 4 'Csk SH2 domain' 'natural abundance' . . 1 $Csk_SH2_domain . protein . 0.5 1.0 mM . . . . 11508 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11508 3 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 11508 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11508 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cbp phosphopeptide' [U-15N] . . 2 $Cbp_phosphopeptide . protein . 0.5 1.0 mM . . . . 11508 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11508 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11508 4 4 'Csk SH2 domain' 'natural abundance' . . 1 $Csk_SH2_domain . protein . 0.5 1.0 mM . . . . 11508 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11508 4 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 11508 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 11508 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Csk SH2 domain' '[U-13C; U-15N]' . . 1 $Csk_SH2_domain . protein . 0.5 1.0 mM . . . . 11508 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11508 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11508 5 4 'Cbp phosphopeptide' 'natural abundance' . . 2 $Cbp_phosphopeptide . protein . 0.5 1.0 mM . . . . 11508 5 5 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 11508 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 11508 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cbp phosphopeptide' '[U-13C; U-15N]' . . 2 $Cbp_phosphopeptide . protein . 0.5 1.0 mM . . . . 11508 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11508 6 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11508 6 4 'Csk SH2 domain' 'natural abundance' . . 1 $Csk_SH2_domain . protein . 0.5 1.0 mM . . . . 11508 6 5 D2O [U-2H] . . . . . . 100 . . % . . . . 11508 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11508 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.076 . M 11508 1 pH 6.0 . pH 11508 1 pressure 1 . atm 11508 1 temperature 298 . K 11508 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11508 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11508 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11508 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11508 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11508 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11508 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11508 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11508 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11508 3 'data analysis' 11508 3 'peak picking' 11508 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11508 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11508 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11508 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11508 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11508 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11508 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 11508 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 11508 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11508 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11508 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'The cryo probe is equipped with to this spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11508 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'The cryo probe is equipped with to this spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11508 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'The cryo probe is equipped with to this spectrometer' . . 11508 1 2 spectrometer_2 Bruker DRX . 800 'The cryo probe is equipped with to this spectrometer' . . 11508 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11508 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 4 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 10 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 17 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 18 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 19 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 20 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 21 '2D DQF-COSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 22 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 23 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 24 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 25 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 26 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 27 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 28 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 29 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 30 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 31 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 32 '2D CBHD' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 33 '2D CBHD' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 34 '2D CBHE' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 35 '2D CBHE' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11508 1 36 '3D 13C-filtered/13C-edited NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 37 '3D 13C-filtered/13C-edited NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 38 '3D 13C,15N-filtered/15N-edited NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11508 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11508 _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 water protons . . . . ppm 4.773 internal direct 0.251449530 . . . . . . . . . 11508 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 11508 1 N 15 water protons . . . . ppm 4.773 internal direct 0.101329118 . . . . . . . . . 11508 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11508 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11508 1 2 '2D 1H-15N HSQC' . . . 11508 1 3 '3D HNCACB' . . . 11508 1 4 '3D HNCACB' . . . 11508 1 5 '3D CBCA(CO)NH' . . . 11508 1 6 '3D CBCA(CO)NH' . . . 11508 1 7 '3D HNCO' . . . 11508 1 8 '3D HNCO' . . . 11508 1 9 '3D HN(CA)CO' . . . 11508 1 10 '3D HN(CA)CO' . . . 11508 1 11 '3D HBHA(CO)NH' . . . 11508 1 12 '3D HBHA(CO)NH' . . . 11508 1 13 '3D 1H-15N TOCSY' . . . 11508 1 14 '3D 1H-15N TOCSY' . . . 11508 1 15 '2D 1H-13C HSQC' . . . 11508 1 16 '2D 1H-13C HSQC' . . . 11508 1 17 '2D 1H-13C HSQC aromatic' . . . 11508 1 18 '2D 1H-13C HSQC aromatic' . . . 11508 1 19 '3D 1H-13C NOESY aromatic' . . . 11508 1 20 '3D 1H-13C NOESY aromatic' . . . 11508 1 21 '2D DQF-COSY' . . . 11508 1 22 '3D C(CO)NH' . . . 11508 1 23 '3D C(CO)NH' . . . 11508 1 24 '3D H(CCO)NH' . . . 11508 1 25 '3D H(CCO)NH' . . . 11508 1 26 '3D HCCH-TOCSY' . . . 11508 1 27 '3D HCCH-TOCSY' . . . 11508 1 28 '3D 1H-15N NOESY' . . . 11508 1 29 '3D 1H-15N NOESY' . . . 11508 1 30 '3D 1H-13C NOESY' . . . 11508 1 31 '3D 1H-13C NOESY' . . . 11508 1 32 '2D CBHD' . . . 11508 1 33 '2D CBHD' . . . 11508 1 34 '2D CBHE' . . . 11508 1 35 '2D CBHE' . . . 11508 1 36 '3D 13C-filtered/13C-edited NOESY' . . . 11508 1 37 '3D 13C-filtered/13C-edited NOESY' . . . 11508 1 38 '3D 13C,15N-filtered/15N-edited NOESY' . . . 11508 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 2 2 PRO HA H 1 4.448 0.005 . 1 . . . A 76 PRO HA . 11508 1 2 . 1 1 2 2 PRO HB2 H 1 1.911 0.011 . 2 . . . A 76 PRO HB2 . 11508 1 3 . 1 1 2 2 PRO HB3 H 1 2.275 0.003 . 2 . . . A 76 PRO HB3 . 11508 1 4 . 1 1 2 2 PRO HG2 H 1 1.962 0.012 . 2 . . . A 76 PRO HG2 . 11508 1 5 . 1 1 2 2 PRO HG3 H 1 1.763 0.01 . 2 . . . A 76 PRO HG3 . 11508 1 6 . 1 1 2 2 PRO HD2 H 1 3.548 0.005 . 2 . . . A 76 PRO HD2 . 11508 1 7 . 1 1 2 2 PRO C C 13 177.093 0 . 1 . . . A 76 PRO C . 11508 1 8 . 1 1 2 2 PRO CA C 13 63.174 0.057 . 1 . . . A 76 PRO CA . 11508 1 9 . 1 1 2 2 PRO CB C 13 32.293 0.036 . 1 . . . A 76 PRO CB . 11508 1 10 . 1 1 2 2 PRO CG C 13 27.01 0.015 . 1 . . . A 76 PRO CG . 11508 1 11 . 1 1 2 2 PRO CD C 13 49.654 0.085 . 1 . . . A 76 PRO CD . 11508 1 12 . 1 1 3 3 LEU H H 1 8.54 0.006 . 1 . . . A 77 LEU H . 11508 1 13 . 1 1 3 3 LEU HA H 1 4.253 0.008 . 1 . . . A 77 LEU HA . 11508 1 14 . 1 1 3 3 LEU HB2 H 1 1.475 0.01 . 2 . . . A 77 LEU HB2 . 11508 1 15 . 1 1 3 3 LEU HB3 H 1 1.6 0.015 . 2 . . . A 77 LEU HB3 . 11508 1 16 . 1 1 3 3 LEU HG H 1 1.536 0.01 . 1 . . . A 77 LEU HG . 11508 1 17 . 1 1 3 3 LEU HD11 H 1 0.785 0.009 . 2 . . . A 77 LEU HD11 . 11508 1 18 . 1 1 3 3 LEU HD12 H 1 0.785 0.009 . 2 . . . A 77 LEU HD12 . 11508 1 19 . 1 1 3 3 LEU HD13 H 1 0.785 0.009 . 2 . . . A 77 LEU HD13 . 11508 1 20 . 1 1 3 3 LEU HD21 H 1 0.826 0.018 . 2 . . . A 77 LEU HD21 . 11508 1 21 . 1 1 3 3 LEU HD22 H 1 0.826 0.018 . 2 . . . A 77 LEU HD22 . 11508 1 22 . 1 1 3 3 LEU HD23 H 1 0.826 0.018 . 2 . . . A 77 LEU HD23 . 11508 1 23 . 1 1 3 3 LEU C C 13 177.892 0 . 1 . . . A 77 LEU C . 11508 1 24 . 1 1 3 3 LEU CA C 13 55.639 0.046 . 1 . . . A 77 LEU CA . 11508 1 25 . 1 1 3 3 LEU CB C 13 42.161 0.07 . 1 . . . A 77 LEU CB . 11508 1 26 . 1 1 3 3 LEU CG C 13 27.004 0.033 . 1 . . . A 77 LEU CG . 11508 1 27 . 1 1 3 3 LEU CD1 C 13 23.679 0.052 . 2 . . . A 77 LEU CD1 . 11508 1 28 . 1 1 3 3 LEU CD2 C 13 24.842 0.077 . 2 . . . A 77 LEU CD2 . 11508 1 29 . 1 1 3 3 LEU N N 15 122.492 0.034 . 1 . . . A 77 LEU N . 11508 1 30 . 1 1 4 4 GLY H H 1 8.296 0.004 . 1 . . . A 78 GLY H . 11508 1 31 . 1 1 4 4 GLY HA2 H 1 3.91 0.028 . 2 . . . A 78 GLY HA2 . 11508 1 32 . 1 1 4 4 GLY C C 13 173.978 0 . 1 . . . A 78 GLY C . 11508 1 33 . 1 1 4 4 GLY CA C 13 45.327 0.087 . 1 . . . A 78 GLY CA . 11508 1 34 . 1 1 4 4 GLY N N 15 108.721 0.032 . 1 . . . A 78 GLY N . 11508 1 35 . 1 1 5 5 SER H H 1 8.015 0.004 . 1 . . . A 79 SER H . 11508 1 36 . 1 1 5 5 SER HA H 1 4.327 0.005 . 1 . . . A 79 SER HA . 11508 1 37 . 1 1 5 5 SER HB2 H 1 3.818 0.004 . 2 . . . A 79 SER HB2 . 11508 1 38 . 1 1 5 5 SER C C 13 173.873 0 . 1 . . . A 79 SER C . 11508 1 39 . 1 1 5 5 SER CA C 13 58.431 0.052 . 1 . . . A 79 SER CA . 11508 1 40 . 1 1 5 5 SER CB C 13 63.633 0.082 . 1 . . . A 79 SER CB . 11508 1 41 . 1 1 5 5 SER N N 15 114.315 0.045 . 1 . . . A 79 SER N . 11508 1 42 . 1 1 6 6 MET H H 1 8.124 0.004 . 1 . . . A 80 MET H . 11508 1 43 . 1 1 6 6 MET HA H 1 3.899 0.012 . 1 . . . A 80 MET HA . 11508 1 44 . 1 1 6 6 MET HB2 H 1 0.212 0.009 . 2 . . . A 80 MET HB2 . 11508 1 45 . 1 1 6 6 MET HB3 H 1 1.439 0.011 . 2 . . . A 80 MET HB3 . 11508 1 46 . 1 1 6 6 MET HG2 H 1 2.031 0.013 . 2 . . . A 80 MET HG2 . 11508 1 47 . 1 1 6 6 MET HG3 H 1 2.162 0.013 . 2 . . . A 80 MET HG3 . 11508 1 48 . 1 1 6 6 MET CA C 13 52.164 0.085 . 1 . . . A 80 MET CA . 11508 1 49 . 1 1 6 6 MET CB C 13 32.981 0.065 . 1 . . . A 80 MET CB . 11508 1 50 . 1 1 6 6 MET CG C 13 31.311 0.018 . 1 . . . A 80 MET CG . 11508 1 51 . 1 1 6 6 MET N N 15 119.748 0.046 . 1 . . . A 80 MET N . 11508 1 52 . 1 1 7 7 PRO HA H 1 4.218 0.006 . 1 . . . A 81 PRO HA . 11508 1 53 . 1 1 7 7 PRO HB2 H 1 1.831 0.012 . 2 . . . A 81 PRO HB2 . 11508 1 54 . 1 1 7 7 PRO HB3 H 1 2.302 0.006 . 2 . . . A 81 PRO HB3 . 11508 1 55 . 1 1 7 7 PRO HG2 H 1 2.043 0.007 . 2 . . . A 81 PRO HG2 . 11508 1 56 . 1 1 7 7 PRO HD2 H 1 3.475 0.014 . 2 . . . A 81 PRO HD2 . 11508 1 57 . 1 1 7 7 PRO HD3 H 1 3.156 0.006 . 2 . . . A 81 PRO HD3 . 11508 1 58 . 1 1 7 7 PRO CA C 13 65.259 0.295 . 1 . . . A 81 PRO CA . 11508 1 59 . 1 1 7 7 PRO CB C 13 31.858 0.089 . 1 . . . A 81 PRO CB . 11508 1 60 . 1 1 7 7 PRO CG C 13 27.55 0.075 . 1 . . . A 81 PRO CG . 11508 1 61 . 1 1 7 7 PRO CD C 13 49.982 0.063 . 1 . . . A 81 PRO CD . 11508 1 62 . 1 1 8 8 TRP H H 1 5.58 0.006 . 1 . . . A 82 TRP H . 11508 1 63 . 1 1 8 8 TRP HA H 1 4.725 0.01 . 1 . . . A 82 TRP HA . 11508 1 64 . 1 1 8 8 TRP HB2 H 1 2.705 0.01 . 2 . . . A 82 TRP HB2 . 11508 1 65 . 1 1 8 8 TRP HB3 H 1 3.681 0.012 . 2 . . . A 82 TRP HB3 . 11508 1 66 . 1 1 8 8 TRP HD1 H 1 7.28 0.009 . 1 . . . A 82 TRP HD1 . 11508 1 67 . 1 1 8 8 TRP HE1 H 1 11.096 0.004 . 1 . . . A 82 TRP HE1 . 11508 1 68 . 1 1 8 8 TRP HZ2 H 1 7.68 0.003 . 1 . . . A 82 TRP HZ2 . 11508 1 69 . 1 1 8 8 TRP HH2 H 1 6.741 0.013 . 1 . . . A 82 TRP HH2 . 11508 1 70 . 1 1 8 8 TRP C C 13 175.871 0 . 1 . . . A 82 TRP C . 11508 1 71 . 1 1 8 8 TRP CA C 13 52.896 0.028 . 1 . . . A 82 TRP CA . 11508 1 72 . 1 1 8 8 TRP CB C 13 30.001 0.049 . 1 . . . A 82 TRP CB . 11508 1 73 . 1 1 8 8 TRP CD1 C 13 129.238 0.012 . 1 . . . A 82 TRP CD1 . 11508 1 74 . 1 1 8 8 TRP CZ2 C 13 114.913 0.01 . 1 . . . A 82 TRP CZ2 . 11508 1 75 . 1 1 8 8 TRP CH2 C 13 125.428 0.016 . 1 . . . A 82 TRP CH2 . 11508 1 76 . 1 1 8 8 TRP N N 15 108.528 0.034 . 1 . . . A 82 TRP N . 11508 1 77 . 1 1 8 8 TRP NE1 N 15 133.07 0.026 . 1 . . . A 82 TRP NE1 . 11508 1 78 . 1 1 9 9 PHE H H 1 7.852 0.005 . 1 . . . A 83 PHE H . 11508 1 79 . 1 1 9 9 PHE HA H 1 5.612 0.017 . 1 . . . A 83 PHE HA . 11508 1 80 . 1 1 9 9 PHE HB2 H 1 2.755 0.011 . 2 . . . A 83 PHE HB2 . 11508 1 81 . 1 1 9 9 PHE HB3 H 1 3.141 0.008 . 2 . . . A 83 PHE HB3 . 11508 1 82 . 1 1 9 9 PHE HD2 H 1 7.252 0.013 . 3 . . . A 83 PHE HD2 . 11508 1 83 . 1 1 9 9 PHE HE2 H 1 7.432 0.009 . 3 . . . A 83 PHE HE2 . 11508 1 84 . 1 1 9 9 PHE HZ H 1 7.842 0.002 . 1 . . . A 83 PHE HZ . 11508 1 85 . 1 1 9 9 PHE C C 13 174.992 0 . 1 . . . A 83 PHE C . 11508 1 86 . 1 1 9 9 PHE CA C 13 57.172 0.033 . 1 . . . A 83 PHE CA . 11508 1 87 . 1 1 9 9 PHE CB C 13 39.318 0.036 . 1 . . . A 83 PHE CB . 11508 1 88 . 1 1 9 9 PHE CD2 C 13 132.246 0.044 . 3 . . . A 83 PHE CD2 . 11508 1 89 . 1 1 9 9 PHE CE2 C 13 131.3 0.042 . 3 . . . A 83 PHE CE2 . 11508 1 90 . 1 1 9 9 PHE CZ C 13 130.422 0.031 . 1 . . . A 83 PHE CZ . 11508 1 91 . 1 1 9 9 PHE N N 15 124.259 0.051 . 1 . . . A 83 PHE N . 11508 1 92 . 1 1 10 10 HIS H H 1 8.696 0.006 . 1 . . . A 84 HIS H . 11508 1 93 . 1 1 10 10 HIS HA H 1 4.682 0.013 . 1 . . . A 84 HIS HA . 11508 1 94 . 1 1 10 10 HIS HB2 H 1 3.385 0.012 . 2 . . . A 84 HIS HB2 . 11508 1 95 . 1 1 10 10 HIS HD2 H 1 7.298 0.012 . 1 . . . A 84 HIS HD2 . 11508 1 96 . 1 1 10 10 HIS HE1 H 1 7.442 0.026 . 1 . . . A 84 HIS HE1 . 11508 1 97 . 1 1 10 10 HIS C C 13 174.807 0 . 1 . . . A 84 HIS C . 11508 1 98 . 1 1 10 10 HIS CA C 13 56.404 0.025 . 1 . . . A 84 HIS CA . 11508 1 99 . 1 1 10 10 HIS CB C 13 33.213 0.022 . 1 . . . A 84 HIS CB . 11508 1 100 . 1 1 10 10 HIS CD2 C 13 116.693 0.026 . 1 . . . A 84 HIS CD2 . 11508 1 101 . 1 1 10 10 HIS CE1 C 13 135.856 0.041 . 1 . . . A 84 HIS CE1 . 11508 1 102 . 1 1 10 10 HIS N N 15 125.424 0.038 . 1 . . . A 84 HIS N . 11508 1 103 . 1 1 11 11 GLY H H 1 5.202 0.005 . 1 . . . A 85 GLY H . 11508 1 104 . 1 1 11 11 GLY HA2 H 1 3.42 0.011 . 2 . . . A 85 GLY HA2 . 11508 1 105 . 1 1 11 11 GLY HA3 H 1 3.779 0.013 . 2 . . . A 85 GLY HA3 . 11508 1 106 . 1 1 11 11 GLY C C 13 174.223 0 . 1 . . . A 85 GLY C . 11508 1 107 . 1 1 11 11 GLY CA C 13 46.832 0.056 . 1 . . . A 85 GLY CA . 11508 1 108 . 1 1 11 11 GLY N N 15 103.606 0.08 . 1 . . . A 85 GLY N . 11508 1 109 . 1 1 12 12 LYS H H 1 9.024 0.003 . 1 . . . A 86 LYS H . 11508 1 110 . 1 1 12 12 LYS HA H 1 4.484 0.01 . 1 . . . A 86 LYS HA . 11508 1 111 . 1 1 12 12 LYS HB2 H 1 1.678 0.009 . 2 . . . A 86 LYS HB2 . 11508 1 112 . 1 1 12 12 LYS HB3 H 1 2.043 0.008 . 2 . . . A 86 LYS HB3 . 11508 1 113 . 1 1 12 12 LYS HG2 H 1 1.159 0.01 . 2 . . . A 86 LYS HG2 . 11508 1 114 . 1 1 12 12 LYS HG3 H 1 1.334 0.005 . 2 . . . A 86 LYS HG3 . 11508 1 115 . 1 1 12 12 LYS HD2 H 1 1.661 0.007 . 2 . . . A 86 LYS HD2 . 11508 1 116 . 1 1 12 12 LYS HE2 H 1 2.965 0.016 . 2 . . . A 86 LYS HE2 . 11508 1 117 . 1 1 12 12 LYS HE3 H 1 3.053 0.017 . 2 . . . A 86 LYS HE3 . 11508 1 118 . 1 1 12 12 LYS C C 13 175.743 0 . 1 . . . A 86 LYS C . 11508 1 119 . 1 1 12 12 LYS CA C 13 56.108 0.11 . 1 . . . A 86 LYS CA . 11508 1 120 . 1 1 12 12 LYS CB C 13 30.738 0.063 . 1 . . . A 86 LYS CB . 11508 1 121 . 1 1 12 12 LYS CG C 13 25.729 0.032 . 1 . . . A 86 LYS CG . 11508 1 122 . 1 1 12 12 LYS CD C 13 29.408 0.061 . 1 . . . A 86 LYS CD . 11508 1 123 . 1 1 12 12 LYS CE C 13 42.275 0.072 . 1 . . . A 86 LYS CE . 11508 1 124 . 1 1 12 12 LYS N N 15 129.645 0.033 . 1 . . . A 86 LYS N . 11508 1 125 . 1 1 13 13 ILE H H 1 6.894 0.004 . 1 . . . A 87 ILE H . 11508 1 126 . 1 1 13 13 ILE HA H 1 4.75 0.012 . 1 . . . A 87 ILE HA . 11508 1 127 . 1 1 13 13 ILE HB H 1 1.922 0.007 . 1 . . . A 87 ILE HB . 11508 1 128 . 1 1 13 13 ILE HG12 H 1 0.725 0.015 . 2 . . . A 87 ILE HG12 . 11508 1 129 . 1 1 13 13 ILE HG13 H 1 1.259 0.008 . 2 . . . A 87 ILE HG13 . 11508 1 130 . 1 1 13 13 ILE HG21 H 1 1.076 0.006 . 1 . . . A 87 ILE HG21 . 11508 1 131 . 1 1 13 13 ILE HG22 H 1 1.076 0.006 . 1 . . . A 87 ILE HG22 . 11508 1 132 . 1 1 13 13 ILE HG23 H 1 1.076 0.006 . 1 . . . A 87 ILE HG23 . 11508 1 133 . 1 1 13 13 ILE HD11 H 1 0.649 0.007 . 1 . . . A 87 ILE HD11 . 11508 1 134 . 1 1 13 13 ILE HD12 H 1 0.649 0.007 . 1 . . . A 87 ILE HD12 . 11508 1 135 . 1 1 13 13 ILE HD13 H 1 0.649 0.007 . 1 . . . A 87 ILE HD13 . 11508 1 136 . 1 1 13 13 ILE C C 13 175.991 0 . 1 . . . A 87 ILE C . 11508 1 137 . 1 1 13 13 ILE CA C 13 60.064 0.056 . 1 . . . A 87 ILE CA . 11508 1 138 . 1 1 13 13 ILE CB C 13 40.429 0.041 . 1 . . . A 87 ILE CB . 11508 1 139 . 1 1 13 13 ILE CG1 C 13 25.519 0.138 . 1 . . . A 87 ILE CG1 . 11508 1 140 . 1 1 13 13 ILE CG2 C 13 17.855 0.058 . 1 . . . A 87 ILE CG2 . 11508 1 141 . 1 1 13 13 ILE CD1 C 13 14.558 0.046 . 1 . . . A 87 ILE CD1 . 11508 1 142 . 1 1 13 13 ILE N N 15 116.991 0.033 . 1 . . . A 87 ILE N . 11508 1 143 . 1 1 14 14 THR H H 1 8.827 0.008 . 1 . . . A 88 THR H . 11508 1 144 . 1 1 14 14 THR HA H 1 4.085 0.01 . 1 . . . A 88 THR HA . 11508 1 145 . 1 1 14 14 THR HB H 1 4.774 0.011 . 1 . . . A 88 THR HB . 11508 1 146 . 1 1 14 14 THR HG21 H 1 1.366 0.005 . 1 . . . A 88 THR HG21 . 11508 1 147 . 1 1 14 14 THR HG22 H 1 1.366 0.005 . 1 . . . A 88 THR HG22 . 11508 1 148 . 1 1 14 14 THR HG23 H 1 1.366 0.005 . 1 . . . A 88 THR HG23 . 11508 1 149 . 1 1 14 14 THR C C 13 174.976 0 . 1 . . . A 88 THR C . 11508 1 150 . 1 1 14 14 THR CA C 13 61.169 0.114 . 1 . . . A 88 THR CA . 11508 1 151 . 1 1 14 14 THR CB C 13 71.179 0.057 . 1 . . . A 88 THR CB . 11508 1 152 . 1 1 14 14 THR CG2 C 13 22.068 0.116 . 1 . . . A 88 THR CG2 . 11508 1 153 . 1 1 14 14 THR N N 15 113.457 0.035 . 1 . . . A 88 THR N . 11508 1 154 . 1 1 15 15 ARG H H 1 9.153 0.01 . 1 . . . A 89 ARG H . 11508 1 155 . 1 1 15 15 ARG HA H 1 3.484 0.009 . 1 . . . A 89 ARG HA . 11508 1 156 . 1 1 15 15 ARG HB3 H 1 1.123 0.016 . 2 . . . A 89 ARG HB3 . 11508 1 157 . 1 1 15 15 ARG HG3 H 1 0.955 0.005 . 2 . . . A 89 ARG HG3 . 11508 1 158 . 1 1 15 15 ARG C C 13 177.576 0 . 1 . . . A 89 ARG C . 11508 1 159 . 1 1 15 15 ARG CA C 13 61.172 0.081 . 1 . . . A 89 ARG CA . 11508 1 160 . 1 1 15 15 ARG CB C 13 28.63 0.054 . 1 . . . A 89 ARG CB . 11508 1 161 . 1 1 15 15 ARG CG C 13 28.028 0 . 1 . . . A 89 ARG CG . 11508 1 162 . 1 1 15 15 ARG CD C 13 41.19 0 . 1 . . . A 89 ARG CD . 11508 1 163 . 1 1 15 15 ARG N N 15 120.936 0.033 . 1 . . . A 89 ARG N . 11508 1 164 . 1 1 16 16 GLU H H 1 8.671 0.006 . 1 . . . A 90 GLU H . 11508 1 165 . 1 1 16 16 GLU HA H 1 3.858 0.003 . 1 . . . A 90 GLU HA . 11508 1 166 . 1 1 16 16 GLU HB2 H 1 1.842 0.009 . 2 . . . A 90 GLU HB2 . 11508 1 167 . 1 1 16 16 GLU HB3 H 1 2.03 0.008 . 2 . . . A 90 GLU HB3 . 11508 1 168 . 1 1 16 16 GLU HG2 H 1 2.161 0.005 . 2 . . . A 90 GLU HG2 . 11508 1 169 . 1 1 16 16 GLU HG3 H 1 2.208 0.013 . 2 . . . A 90 GLU HG3 . 11508 1 170 . 1 1 16 16 GLU C C 13 178.967 0 . 1 . . . A 90 GLU C . 11508 1 171 . 1 1 16 16 GLU CA C 13 59.735 0.068 . 1 . . . A 90 GLU CA . 11508 1 172 . 1 1 16 16 GLU CB C 13 28.927 0.14 . 1 . . . A 90 GLU CB . 11508 1 173 . 1 1 16 16 GLU CG C 13 35.992 0.004 . 1 . . . A 90 GLU CG . 11508 1 174 . 1 1 16 16 GLU N N 15 118.62 0.029 . 1 . . . A 90 GLU N . 11508 1 175 . 1 1 17 17 GLN H H 1 7.98 0.007 . 1 . . . A 91 GLN H . 11508 1 176 . 1 1 17 17 GLN HA H 1 3.873 0.006 . 1 . . . A 91 GLN HA . 11508 1 177 . 1 1 17 17 GLN HB2 H 1 1.875 0.008 . 2 . . . A 91 GLN HB2 . 11508 1 178 . 1 1 17 17 GLN HB3 H 1 2.308 0.011 . 2 . . . A 91 GLN HB3 . 11508 1 179 . 1 1 17 17 GLN HG2 H 1 2.404 0.008 . 2 . . . A 91 GLN HG2 . 11508 1 180 . 1 1 17 17 GLN HE21 H 1 6.906 0.003 . 2 . . . A 91 GLN HE21 . 11508 1 181 . 1 1 17 17 GLN HE22 H 1 7.446 0.009 . 2 . . . A 91 GLN HE22 . 11508 1 182 . 1 1 17 17 GLN C C 13 178.748 0 . 1 . . . A 91 GLN C . 11508 1 183 . 1 1 17 17 GLN CA C 13 58.88 0.128 . 1 . . . A 91 GLN CA . 11508 1 184 . 1 1 17 17 GLN CB C 13 28.489 0.065 . 1 . . . A 91 GLN CB . 11508 1 185 . 1 1 17 17 GLN CG C 13 34.485 0.048 . 1 . . . A 91 GLN CG . 11508 1 186 . 1 1 17 17 GLN N N 15 119.136 0.067 . 1 . . . A 91 GLN N . 11508 1 187 . 1 1 17 17 GLN NE2 N 15 111.423 0.027 . 1 . . . A 91 GLN NE2 . 11508 1 188 . 1 1 18 18 ALA H H 1 8.215 0.006 . 1 . . . A 92 ALA H . 11508 1 189 . 1 1 18 18 ALA HA H 1 3.786 0.007 . 1 . . . A 92 ALA HA . 11508 1 190 . 1 1 18 18 ALA HB1 H 1 1.505 0.008 . 1 . . . A 92 ALA HB1 . 11508 1 191 . 1 1 18 18 ALA HB2 H 1 1.505 0.008 . 1 . . . A 92 ALA HB2 . 11508 1 192 . 1 1 18 18 ALA HB3 H 1 1.505 0.008 . 1 . . . A 92 ALA HB3 . 11508 1 193 . 1 1 18 18 ALA C C 13 178.374 0 . 1 . . . A 92 ALA C . 11508 1 194 . 1 1 18 18 ALA CA C 13 55.027 0.033 . 1 . . . A 92 ALA CA . 11508 1 195 . 1 1 18 18 ALA CB C 13 19.006 0.025 . 1 . . . A 92 ALA CB . 11508 1 196 . 1 1 18 18 ALA N N 15 120.932 0.04 . 1 . . . A 92 ALA N . 11508 1 197 . 1 1 19 19 GLU H H 1 8.359 0.007 . 1 . . . A 93 GLU H . 11508 1 198 . 1 1 19 19 GLU HA H 1 3.77 0.009 . 1 . . . A 93 GLU HA . 11508 1 199 . 1 1 19 19 GLU HB2 H 1 2.025 0.008 . 2 . . . A 93 GLU HB2 . 11508 1 200 . 1 1 19 19 GLU HB3 H 1 2.081 0.011 . 2 . . . A 93 GLU HB3 . 11508 1 201 . 1 1 19 19 GLU HG2 H 1 1.969 0.01 . 2 . . . A 93 GLU HG2 . 11508 1 202 . 1 1 19 19 GLU HG3 H 1 2.771 0.007 . 2 . . . A 93 GLU HG3 . 11508 1 203 . 1 1 19 19 GLU C C 13 178.815 0 . 1 . . . A 93 GLU C . 11508 1 204 . 1 1 19 19 GLU CA C 13 60.611 0.068 . 1 . . . A 93 GLU CA . 11508 1 205 . 1 1 19 19 GLU CB C 13 28.205 0.076 . 1 . . . A 93 GLU CB . 11508 1 206 . 1 1 19 19 GLU CG C 13 38.051 0.033 . 1 . . . A 93 GLU CG . 11508 1 207 . 1 1 19 19 GLU N N 15 114.4 0.022 . 1 . . . A 93 GLU N . 11508 1 208 . 1 1 20 20 ARG H H 1 7.706 0.007 . 1 . . . A 94 ARG H . 11508 1 209 . 1 1 20 20 ARG HA H 1 3.924 0.017 . 1 . . . A 94 ARG HA . 11508 1 210 . 1 1 20 20 ARG HB2 H 1 1.811 0.006 . 2 . . . A 94 ARG HB2 . 11508 1 211 . 1 1 20 20 ARG HG2 H 1 1.55 0.008 . 2 . . . A 94 ARG HG2 . 11508 1 212 . 1 1 20 20 ARG HG3 H 1 1.704 0.01 . 2 . . . A 94 ARG HG3 . 11508 1 213 . 1 1 20 20 ARG HD2 H 1 3.08 0.011 . 2 . . . A 94 ARG HD2 . 11508 1 214 . 1 1 20 20 ARG HD3 H 1 3.111 0.013 . 2 . . . A 94 ARG HD3 . 11508 1 215 . 1 1 20 20 ARG HE H 1 7.314 0.026 . 1 . . . A 94 ARG HE . 11508 1 216 . 1 1 20 20 ARG C C 13 178.973 0 . 1 . . . A 94 ARG C . 11508 1 217 . 1 1 20 20 ARG CA C 13 58.555 0.058 . 1 . . . A 94 ARG CA . 11508 1 218 . 1 1 20 20 ARG CB C 13 30.04 0.065 . 1 . . . A 94 ARG CB . 11508 1 219 . 1 1 20 20 ARG CG C 13 27.689 0.048 . 1 . . . A 94 ARG CG . 11508 1 220 . 1 1 20 20 ARG CD C 13 43.249 0.089 . 1 . . . A 94 ARG CD . 11508 1 221 . 1 1 20 20 ARG N N 15 118.102 0.064 . 1 . . . A 94 ARG N . 11508 1 222 . 1 1 20 20 ARG NE N 15 84.741 0.032 . 1 . . . A 94 ARG NE . 11508 1 223 . 1 1 21 21 LEU H H 1 7.603 0.009 . 1 . . . A 95 LEU H . 11508 1 224 . 1 1 21 21 LEU HA H 1 4.161 0.004 . 1 . . . A 95 LEU HA . 11508 1 225 . 1 1 21 21 LEU HB2 H 1 1.019 0.012 . 2 . . . A 95 LEU HB2 . 11508 1 226 . 1 1 21 21 LEU HB3 H 1 1.818 0.014 . 2 . . . A 95 LEU HB3 . 11508 1 227 . 1 1 21 21 LEU HG H 1 1.739 0.009 . 1 . . . A 95 LEU HG . 11508 1 228 . 1 1 21 21 LEU HD11 H 1 0.646 0.007 . 2 . . . A 95 LEU HD11 . 11508 1 229 . 1 1 21 21 LEU HD12 H 1 0.646 0.007 . 2 . . . A 95 LEU HD12 . 11508 1 230 . 1 1 21 21 LEU HD13 H 1 0.646 0.007 . 2 . . . A 95 LEU HD13 . 11508 1 231 . 1 1 21 21 LEU HD21 H 1 0.88 0.006 . 2 . . . A 95 LEU HD21 . 11508 1 232 . 1 1 21 21 LEU HD22 H 1 0.88 0.006 . 2 . . . A 95 LEU HD22 . 11508 1 233 . 1 1 21 21 LEU HD23 H 1 0.88 0.006 . 2 . . . A 95 LEU HD23 . 11508 1 234 . 1 1 21 21 LEU C C 13 178.027 0 . 1 . . . A 95 LEU C . 11508 1 235 . 1 1 21 21 LEU CA C 13 56.715 0.054 . 1 . . . A 95 LEU CA . 11508 1 236 . 1 1 21 21 LEU CB C 13 42.804 0.033 . 1 . . . A 95 LEU CB . 11508 1 237 . 1 1 21 21 LEU CG C 13 26.833 0.104 . 1 . . . A 95 LEU CG . 11508 1 238 . 1 1 21 21 LEU CD1 C 13 26.601 0.08 . 2 . . . A 95 LEU CD1 . 11508 1 239 . 1 1 21 21 LEU CD2 C 13 22.886 0.056 . 2 . . . A 95 LEU CD2 . 11508 1 240 . 1 1 21 21 LEU N N 15 118.504 0.028 . 1 . . . A 95 LEU N . 11508 1 241 . 1 1 22 22 LEU H H 1 7.098 0.006 . 1 . . . A 96 LEU H . 11508 1 242 . 1 1 22 22 LEU HA H 1 4.313 0.006 . 1 . . . A 96 LEU HA . 11508 1 243 . 1 1 22 22 LEU HB2 H 1 1.416 0.006 . 2 . . . A 96 LEU HB2 . 11508 1 244 . 1 1 22 22 LEU HB3 H 1 1.575 0.006 . 2 . . . A 96 LEU HB3 . 11508 1 245 . 1 1 22 22 LEU HG H 1 1.668 0.005 . 1 . . . A 96 LEU HG . 11508 1 246 . 1 1 22 22 LEU HD11 H 1 0.481 0.013 . 2 . . . A 96 LEU HD11 . 11508 1 247 . 1 1 22 22 LEU HD12 H 1 0.481 0.013 . 2 . . . A 96 LEU HD12 . 11508 1 248 . 1 1 22 22 LEU HD13 H 1 0.481 0.013 . 2 . . . A 96 LEU HD13 . 11508 1 249 . 1 1 22 22 LEU HD21 H 1 0.584 0.009 . 2 . . . A 96 LEU HD21 . 11508 1 250 . 1 1 22 22 LEU HD22 H 1 0.584 0.009 . 2 . . . A 96 LEU HD22 . 11508 1 251 . 1 1 22 22 LEU HD23 H 1 0.584 0.009 . 2 . . . A 96 LEU HD23 . 11508 1 252 . 1 1 22 22 LEU C C 13 172.549 0 . 1 . . . A 96 LEU C . 11508 1 253 . 1 1 22 22 LEU CA C 13 52.676 0.041 . 1 . . . A 96 LEU CA . 11508 1 254 . 1 1 22 22 LEU CB C 13 40.041 0.065 . 1 . . . A 96 LEU CB . 11508 1 255 . 1 1 22 22 LEU CG C 13 26.226 0.029 . 1 . . . A 96 LEU CG . 11508 1 256 . 1 1 22 22 LEU CD1 C 13 23.619 0.038 . 2 . . . A 96 LEU CD1 . 11508 1 257 . 1 1 22 22 LEU CD2 C 13 27.292 0.021 . 2 . . . A 96 LEU CD2 . 11508 1 258 . 1 1 22 22 LEU N N 15 120.368 0.047 . 1 . . . A 96 LEU N . 11508 1 259 . 1 1 23 23 TYR H H 1 7.193 0.008 . 1 . . . A 97 TYR H . 11508 1 260 . 1 1 23 23 TYR HA H 1 4.148 0.007 . 1 . . . A 97 TYR HA . 11508 1 261 . 1 1 23 23 TYR HB2 H 1 2.84 0.005 . 2 . . . A 97 TYR HB2 . 11508 1 262 . 1 1 23 23 TYR HD1 H 1 7.131 0.012 . 3 . . . A 97 TYR HD1 . 11508 1 263 . 1 1 23 23 TYR HE1 H 1 6.867 0.005 . 3 . . . A 97 TYR HE1 . 11508 1 264 . 1 1 23 23 TYR CA C 13 55.985 0.045 . 1 . . . A 97 TYR CA . 11508 1 265 . 1 1 23 23 TYR CB C 13 42.124 0.07 . 1 . . . A 97 TYR CB . 11508 1 266 . 1 1 23 23 TYR CD1 C 13 133.359 0.013 . 3 . . . A 97 TYR CD1 . 11508 1 267 . 1 1 23 23 TYR CE1 C 13 118.37 0.014 . 3 . . . A 97 TYR CE1 . 11508 1 268 . 1 1 23 23 TYR N N 15 119.723 0.026 . 1 . . . A 97 TYR N . 11508 1 269 . 1 1 25 25 PRO HA H 1 4.101 0.007 . 1 . . . A 99 PRO HA . 11508 1 270 . 1 1 25 25 PRO HB2 H 1 1.761 0.009 . 2 . . . A 99 PRO HB2 . 11508 1 271 . 1 1 25 25 PRO HB3 H 1 2.067 0.012 . 2 . . . A 99 PRO HB3 . 11508 1 272 . 1 1 25 25 PRO HG2 H 1 1.957 0.009 . 2 . . . A 99 PRO HG2 . 11508 1 273 . 1 1 25 25 PRO HD2 H 1 3.275 0.009 . 2 . . . A 99 PRO HD2 . 11508 1 274 . 1 1 25 25 PRO HD3 H 1 3.319 0.01 . 2 . . . A 99 PRO HD3 . 11508 1 275 . 1 1 25 25 PRO C C 13 176.376 0 . 1 . . . A 99 PRO C . 11508 1 276 . 1 1 25 25 PRO CA C 13 63.508 0.039 . 1 . . . A 99 PRO CA . 11508 1 277 . 1 1 25 25 PRO CB C 13 32 0.027 . 1 . . . A 99 PRO CB . 11508 1 278 . 1 1 25 25 PRO CG C 13 27.231 0.048 . 1 . . . A 99 PRO CG . 11508 1 279 . 1 1 25 25 PRO CD C 13 50.163 0.032 . 1 . . . A 99 PRO CD . 11508 1 280 . 1 1 26 26 GLU H H 1 7.13 0.004 . 1 . . . A 100 GLU H . 11508 1 281 . 1 1 26 26 GLU HA H 1 4.239 0.008 . 1 . . . A 100 GLU HA . 11508 1 282 . 1 1 26 26 GLU HB2 H 1 1.868 0.016 . 2 . . . A 100 GLU HB2 . 11508 1 283 . 1 1 26 26 GLU HG2 H 1 1.975 0.006 . 2 . . . A 100 GLU HG2 . 11508 1 284 . 1 1 26 26 GLU HG3 H 1 2.106 0.008 . 2 . . . A 100 GLU HG3 . 11508 1 285 . 1 1 26 26 GLU C C 13 174.442 0 . 1 . . . A 100 GLU C . 11508 1 286 . 1 1 26 26 GLU CA C 13 55.905 0.057 . 1 . . . A 100 GLU CA . 11508 1 287 . 1 1 26 26 GLU CB C 13 32.166 0.042 . 1 . . . A 100 GLU CB . 11508 1 288 . 1 1 26 26 GLU CG C 13 35.794 0.061 . 1 . . . A 100 GLU CG . 11508 1 289 . 1 1 26 26 GLU N N 15 122.711 0.061 . 1 . . . A 100 GLU N . 11508 1 290 . 1 1 27 27 THR H H 1 8.686 0.007 . 1 . . . A 101 THR H . 11508 1 291 . 1 1 27 27 THR HA H 1 4.008 0.012 . 1 . . . A 101 THR HA . 11508 1 292 . 1 1 27 27 THR HB H 1 4.038 0.011 . 1 . . . A 101 THR HB . 11508 1 293 . 1 1 27 27 THR HG21 H 1 1.364 0.004 . 1 . . . A 101 THR HG21 . 11508 1 294 . 1 1 27 27 THR HG22 H 1 1.364 0.004 . 1 . . . A 101 THR HG22 . 11508 1 295 . 1 1 27 27 THR HG23 H 1 1.364 0.004 . 1 . . . A 101 THR HG23 . 11508 1 296 . 1 1 27 27 THR C C 13 175.858 0 . 1 . . . A 101 THR C . 11508 1 297 . 1 1 27 27 THR CA C 13 65.209 0.045 . 1 . . . A 101 THR CA . 11508 1 298 . 1 1 27 27 THR CB C 13 68.851 0.06 . 1 . . . A 101 THR CB . 11508 1 299 . 1 1 27 27 THR CG2 C 13 22.621 0.043 . 1 . . . A 101 THR CG2 . 11508 1 300 . 1 1 27 27 THR N N 15 123.934 0.039 . 1 . . . A 101 THR N . 11508 1 301 . 1 1 28 28 GLY H H 1 9.165 0.008 . 1 . . . A 102 GLY H . 11508 1 302 . 1 1 28 28 GLY HA2 H 1 3.594 0.007 . 2 . . . A 102 GLY HA2 . 11508 1 303 . 1 1 28 28 GLY HA3 H 1 4.353 0.01 . 2 . . . A 102 GLY HA3 . 11508 1 304 . 1 1 28 28 GLY C C 13 174.287 0 . 1 . . . A 102 GLY C . 11508 1 305 . 1 1 28 28 GLY CA C 13 46.015 0.04 . 1 . . . A 102 GLY CA . 11508 1 306 . 1 1 28 28 GLY N N 15 113.848 0.029 . 1 . . . A 102 GLY N . 11508 1 307 . 1 1 29 29 LEU H H 1 8.165 0.005 . 1 . . . A 103 LEU H . 11508 1 308 . 1 1 29 29 LEU HA H 1 5.628 0.005 . 1 . . . A 103 LEU HA . 11508 1 309 . 1 1 29 29 LEU HB2 H 1 1.448 0.007 . 2 . . . A 103 LEU HB2 . 11508 1 310 . 1 1 29 29 LEU HB3 H 1 2.03 0.01 . 2 . . . A 103 LEU HB3 . 11508 1 311 . 1 1 29 29 LEU HG H 1 1.458 0.004 . 1 . . . A 103 LEU HG . 11508 1 312 . 1 1 29 29 LEU HD11 H 1 0.898 0.007 . 2 . . . A 103 LEU HD11 . 11508 1 313 . 1 1 29 29 LEU HD12 H 1 0.898 0.007 . 2 . . . A 103 LEU HD12 . 11508 1 314 . 1 1 29 29 LEU HD13 H 1 0.898 0.007 . 2 . . . A 103 LEU HD13 . 11508 1 315 . 1 1 29 29 LEU HD21 H 1 0.835 0.01 . 2 . . . A 103 LEU HD21 . 11508 1 316 . 1 1 29 29 LEU HD22 H 1 0.835 0.01 . 2 . . . A 103 LEU HD22 . 11508 1 317 . 1 1 29 29 LEU HD23 H 1 0.835 0.01 . 2 . . . A 103 LEU HD23 . 11508 1 318 . 1 1 29 29 LEU C C 13 176.738 0 . 1 . . . A 103 LEU C . 11508 1 319 . 1 1 29 29 LEU CA C 13 54.774 0.067 . 1 . . . A 103 LEU CA . 11508 1 320 . 1 1 29 29 LEU CB C 13 44.631 0.061 . 1 . . . A 103 LEU CB . 11508 1 321 . 1 1 29 29 LEU CG C 13 26.845 0.08 . 1 . . . A 103 LEU CG . 11508 1 322 . 1 1 29 29 LEU CD1 C 13 27.038 0.064 . 2 . . . A 103 LEU CD1 . 11508 1 323 . 1 1 29 29 LEU CD2 C 13 23.425 0.035 . 2 . . . A 103 LEU CD2 . 11508 1 324 . 1 1 29 29 LEU N N 15 127.031 0.027 . 1 . . . A 103 LEU N . 11508 1 325 . 1 1 30 30 PHE H H 1 8.334 0.004 . 1 . . . A 104 PHE H . 11508 1 326 . 1 1 30 30 PHE HA H 1 6.135 0.006 . 1 . . . A 104 PHE HA . 11508 1 327 . 1 1 30 30 PHE HB2 H 1 2.708 0.013 . 2 . . . A 104 PHE HB2 . 11508 1 328 . 1 1 30 30 PHE HB3 H 1 3.035 0.012 . 2 . . . A 104 PHE HB3 . 11508 1 329 . 1 1 30 30 PHE HD1 H 1 7.452 0.01 . 3 . . . A 104 PHE HD1 . 11508 1 330 . 1 1 30 30 PHE HD2 H 1 6.473 0.015 . 3 . . . A 104 PHE HD2 . 11508 1 331 . 1 1 30 30 PHE HE1 H 1 6.722 0.012 . 3 . . . A 104 PHE HE1 . 11508 1 332 . 1 1 30 30 PHE HE2 H 1 6.122 0.01 . 3 . . . A 104 PHE HE2 . 11508 1 333 . 1 1 30 30 PHE HZ H 1 6.549 0.007 . 1 . . . A 104 PHE HZ . 11508 1 334 . 1 1 30 30 PHE C C 13 171.878 0 . 1 . . . A 104 PHE C . 11508 1 335 . 1 1 30 30 PHE CA C 13 56.022 0.063 . 1 . . . A 104 PHE CA . 11508 1 336 . 1 1 30 30 PHE CB C 13 45.014 0.046 . 1 . . . A 104 PHE CB . 11508 1 337 . 1 1 30 30 PHE CD1 C 13 133.186 0.034 . 3 . . . A 104 PHE CD1 . 11508 1 338 . 1 1 30 30 PHE CD2 C 13 131.142 0.048 . 3 . . . A 104 PHE CD2 . 11508 1 339 . 1 1 30 30 PHE CE1 C 13 131.279 0.019 . 3 . . . A 104 PHE CE1 . 11508 1 340 . 1 1 30 30 PHE CE2 C 13 130.647 0.039 . 3 . . . A 104 PHE CE2 . 11508 1 341 . 1 1 30 30 PHE CZ C 13 129.597 0.017 . 1 . . . A 104 PHE CZ . 11508 1 342 . 1 1 30 30 PHE N N 15 122.521 0.033 . 1 . . . A 104 PHE N . 11508 1 343 . 1 1 31 31 LEU H H 1 9.214 0.008 . 1 . . . A 105 LEU H . 11508 1 344 . 1 1 31 31 LEU HA H 1 4.921 0.013 . 1 . . . A 105 LEU HA . 11508 1 345 . 1 1 31 31 LEU HB2 H 1 1.881 0.015 . 2 . . . A 105 LEU HB2 . 11508 1 346 . 1 1 31 31 LEU HB3 H 1 2.037 0.008 . 2 . . . A 105 LEU HB3 . 11508 1 347 . 1 1 31 31 LEU HG H 1 1.614 0.006 . 1 . . . A 105 LEU HG . 11508 1 348 . 1 1 31 31 LEU HD11 H 1 0.191 0.012 . 2 . . . A 105 LEU HD11 . 11508 1 349 . 1 1 31 31 LEU HD12 H 1 0.191 0.012 . 2 . . . A 105 LEU HD12 . 11508 1 350 . 1 1 31 31 LEU HD13 H 1 0.191 0.012 . 2 . . . A 105 LEU HD13 . 11508 1 351 . 1 1 31 31 LEU HD21 H 1 0.636 0.007 . 2 . . . A 105 LEU HD21 . 11508 1 352 . 1 1 31 31 LEU HD22 H 1 0.636 0.007 . 2 . . . A 105 LEU HD22 . 11508 1 353 . 1 1 31 31 LEU HD23 H 1 0.636 0.007 . 2 . . . A 105 LEU HD23 . 11508 1 354 . 1 1 31 31 LEU C C 13 174.665 0 . 1 . . . A 105 LEU C . 11508 1 355 . 1 1 31 31 LEU CA C 13 54.809 0.05 . 1 . . . A 105 LEU CA . 11508 1 356 . 1 1 31 31 LEU CB C 13 44.907 0.031 . 1 . . . A 105 LEU CB . 11508 1 357 . 1 1 31 31 LEU CG C 13 25.809 0.078 . 1 . . . A 105 LEU CG . 11508 1 358 . 1 1 31 31 LEU CD1 C 13 27.719 0.07 . 2 . . . A 105 LEU CD1 . 11508 1 359 . 1 1 31 31 LEU CD2 C 13 24.81 0.049 . 2 . . . A 105 LEU CD2 . 11508 1 360 . 1 1 31 31 LEU N N 15 113.638 0.026 . 1 . . . A 105 LEU N . 11508 1 361 . 1 1 32 32 VAL H H 1 9.427 0.008 . 1 . . . A 106 VAL H . 11508 1 362 . 1 1 32 32 VAL HA H 1 5.437 0.011 . 1 . . . A 106 VAL HA . 11508 1 363 . 1 1 32 32 VAL HB H 1 2.401 0.008 . 1 . . . A 106 VAL HB . 11508 1 364 . 1 1 32 32 VAL HG11 H 1 1.038 0.007 . 2 . . . A 106 VAL HG11 . 11508 1 365 . 1 1 32 32 VAL HG12 H 1 1.038 0.007 . 2 . . . A 106 VAL HG12 . 11508 1 366 . 1 1 32 32 VAL HG13 H 1 1.038 0.007 . 2 . . . A 106 VAL HG13 . 11508 1 367 . 1 1 32 32 VAL HG21 H 1 1.312 0.008 . 2 . . . A 106 VAL HG21 . 11508 1 368 . 1 1 32 32 VAL HG22 H 1 1.312 0.008 . 2 . . . A 106 VAL HG22 . 11508 1 369 . 1 1 32 32 VAL HG23 H 1 1.312 0.008 . 2 . . . A 106 VAL HG23 . 11508 1 370 . 1 1 32 32 VAL C C 13 173.398 0 . 1 . . . A 106 VAL C . 11508 1 371 . 1 1 32 32 VAL CA C 13 61.185 0.034 . 1 . . . A 106 VAL CA . 11508 1 372 . 1 1 32 32 VAL CB C 13 35.376 0.028 . 1 . . . A 106 VAL CB . 11508 1 373 . 1 1 32 32 VAL CG1 C 13 22.858 0.036 . 2 . . . A 106 VAL CG1 . 11508 1 374 . 1 1 32 32 VAL CG2 C 13 22.962 0.015 . 2 . . . A 106 VAL CG2 . 11508 1 375 . 1 1 32 32 VAL N N 15 119.542 0.033 . 1 . . . A 106 VAL N . 11508 1 376 . 1 1 33 33 ARG H H 1 9.277 0.006 . 1 . . . A 107 ARG H . 11508 1 377 . 1 1 33 33 ARG HA H 1 5.366 0.009 . 1 . . . A 107 ARG HA . 11508 1 378 . 1 1 33 33 ARG HB2 H 1 1.361 0.008 . 2 . . . A 107 ARG HB2 . 11508 1 379 . 1 1 33 33 ARG HB3 H 1 2.287 0.009 . 2 . . . A 107 ARG HB3 . 11508 1 380 . 1 1 33 33 ARG HG2 H 1 1.605 0.003 . 2 . . . A 107 ARG HG2 . 11508 1 381 . 1 1 33 33 ARG HG3 H 1 1.787 0.014 . 2 . . . A 107 ARG HG3 . 11508 1 382 . 1 1 33 33 ARG HD2 H 1 3.386 0.01 . 2 . . . A 107 ARG HD2 . 11508 1 383 . 1 1 33 33 ARG C C 13 175.939 0 . 1 . . . A 107 ARG C . 11508 1 384 . 1 1 33 33 ARG CA C 13 52.621 0.043 . 1 . . . A 107 ARG CA . 11508 1 385 . 1 1 33 33 ARG CB C 13 34.701 0.035 . 1 . . . A 107 ARG CB . 11508 1 386 . 1 1 33 33 ARG CG C 13 25.537 0.031 . 1 . . . A 107 ARG CG . 11508 1 387 . 1 1 33 33 ARG CD C 13 44.827 0.058 . 1 . . . A 107 ARG CD . 11508 1 388 . 1 1 33 33 ARG N N 15 122.56 0.04 . 1 . . . A 107 ARG N . 11508 1 389 . 1 1 34 34 GLU H H 1 8.321 0.003 . 1 . . . A 108 GLU H . 11508 1 390 . 1 1 34 34 GLU HA H 1 4.44 0.007 . 1 . . . A 108 GLU HA . 11508 1 391 . 1 1 34 34 GLU HB2 H 1 1.665 0.008 . 2 . . . A 108 GLU HB2 . 11508 1 392 . 1 1 34 34 GLU HB3 H 1 2.182 0.007 . 2 . . . A 108 GLU HB3 . 11508 1 393 . 1 1 34 34 GLU HG2 H 1 2.381 0.011 . 2 . . . A 108 GLU HG2 . 11508 1 394 . 1 1 34 34 GLU HG3 H 1 2.609 0.005 . 2 . . . A 108 GLU HG3 . 11508 1 395 . 1 1 34 34 GLU C C 13 176.217 0 . 1 . . . A 108 GLU C . 11508 1 396 . 1 1 34 34 GLU CA C 13 57.679 0.036 . 1 . . . A 108 GLU CA . 11508 1 397 . 1 1 34 34 GLU CB C 13 30.424 0.067 . 1 . . . A 108 GLU CB . 11508 1 398 . 1 1 34 34 GLU CG C 13 37.424 0.061 . 1 . . . A 108 GLU CG . 11508 1 399 . 1 1 34 34 GLU N N 15 122.194 0.062 . 1 . . . A 108 GLU N . 11508 1 400 . 1 1 35 35 SER H H 1 8.328 0.008 . 1 . . . A 109 SER H . 11508 1 401 . 1 1 35 35 SER HA H 1 4.443 0.003 . 1 . . . A 109 SER HA . 11508 1 402 . 1 1 35 35 SER HB2 H 1 3.708 0.009 . 2 . . . A 109 SER HB2 . 11508 1 403 . 1 1 35 35 SER HB3 H 1 3.859 0.007 . 2 . . . A 109 SER HB3 . 11508 1 404 . 1 1 35 35 SER C C 13 176.669 0 . 1 . . . A 109 SER C . 11508 1 405 . 1 1 35 35 SER CA C 13 57.946 0.038 . 1 . . . A 109 SER CA . 11508 1 406 . 1 1 35 35 SER CB C 13 62.986 0.124 . 1 . . . A 109 SER CB . 11508 1 407 . 1 1 35 35 SER N N 15 119.028 0.054 . 1 . . . A 109 SER N . 11508 1 408 . 1 1 36 36 THR H H 1 7.964 0.005 . 1 . . . A 110 THR H . 11508 1 409 . 1 1 36 36 THR HA H 1 4.256 0.01 . 1 . . . A 110 THR HA . 11508 1 410 . 1 1 36 36 THR HB H 1 4.522 0.01 . 1 . . . A 110 THR HB . 11508 1 411 . 1 1 36 36 THR HG21 H 1 1.21 0.004 . 1 . . . A 110 THR HG21 . 11508 1 412 . 1 1 36 36 THR HG22 H 1 1.21 0.004 . 1 . . . A 110 THR HG22 . 11508 1 413 . 1 1 36 36 THR HG23 H 1 1.21 0.004 . 1 . . . A 110 THR HG23 . 11508 1 414 . 1 1 36 36 THR C C 13 175.645 0 . 1 . . . A 110 THR C . 11508 1 415 . 1 1 36 36 THR CA C 13 66.304 0.069 . 1 . . . A 110 THR CA . 11508 1 416 . 1 1 36 36 THR CB C 13 69.012 0.137 . 1 . . . A 110 THR CB . 11508 1 417 . 1 1 36 36 THR CG2 C 13 20.206 0.054 . 1 . . . A 110 THR CG2 . 11508 1 418 . 1 1 36 36 THR N N 15 125.144 0.033 . 1 . . . A 110 THR N . 11508 1 419 . 1 1 37 37 ASN H H 1 10.571 0.005 . 1 . . . A 111 ASN H . 11508 1 420 . 1 1 37 37 ASN HA H 1 4.526 0.045 . 1 . . . A 111 ASN HA . 11508 1 421 . 1 1 37 37 ASN HB2 H 1 2.361 0.012 . 2 . . . A 111 ASN HB2 . 11508 1 422 . 1 1 37 37 ASN HB3 H 1 3.49 0.014 . 2 . . . A 111 ASN HB3 . 11508 1 423 . 1 1 37 37 ASN HD21 H 1 6.849 0.008 . 2 . . . A 111 ASN HD21 . 11508 1 424 . 1 1 37 37 ASN HD22 H 1 7.538 0.007 . 2 . . . A 111 ASN HD22 . 11508 1 425 . 1 1 37 37 ASN C C 13 174.991 0 . 1 . . . A 111 ASN C . 11508 1 426 . 1 1 37 37 ASN CA C 13 54.312 0.07 . 1 . . . A 111 ASN CA . 11508 1 427 . 1 1 37 37 ASN CB C 13 37.303 0.08 . 1 . . . A 111 ASN CB . 11508 1 428 . 1 1 37 37 ASN N N 15 122.337 0.037 . 1 . . . A 111 ASN N . 11508 1 429 . 1 1 37 37 ASN ND2 N 15 107.969 0.039 . 1 . . . A 111 ASN ND2 . 11508 1 430 . 1 1 38 38 TYR H H 1 8.182 0.01 . 1 . . . A 112 TYR H . 11508 1 431 . 1 1 38 38 TYR HA H 1 4.869 0.007 . 1 . . . A 112 TYR HA . 11508 1 432 . 1 1 38 38 TYR HB2 H 1 2.813 0.019 . 2 . . . A 112 TYR HB2 . 11508 1 433 . 1 1 38 38 TYR HB3 H 1 3.148 0.007 . 2 . . . A 112 TYR HB3 . 11508 1 434 . 1 1 38 38 TYR CA C 13 55.613 0.046 . 1 . . . A 112 TYR CA . 11508 1 435 . 1 1 38 38 TYR CB C 13 37.341 0.008 . 1 . . . A 112 TYR CB . 11508 1 436 . 1 1 38 38 TYR N N 15 120.156 0.027 . 1 . . . A 112 TYR N . 11508 1 437 . 1 1 39 39 PRO HA H 1 4.164 0.007 . 1 . . . A 113 PRO HA . 11508 1 438 . 1 1 39 39 PRO HB2 H 1 1.897 0.016 . 2 . . . A 113 PRO HB2 . 11508 1 439 . 1 1 39 39 PRO HB3 H 1 2.292 0.007 . 2 . . . A 113 PRO HB3 . 11508 1 440 . 1 1 39 39 PRO HG2 H 1 2.04 0.003 . 2 . . . A 113 PRO HG2 . 11508 1 441 . 1 1 39 39 PRO HD2 H 1 3.445 0.01 . 2 . . . A 113 PRO HD2 . 11508 1 442 . 1 1 39 39 PRO HD3 H 1 3.548 0.006 . 2 . . . A 113 PRO HD3 . 11508 1 443 . 1 1 39 39 PRO C C 13 178.797 0 . 1 . . . A 113 PRO C . 11508 1 444 . 1 1 39 39 PRO CA C 13 64.054 0.052 . 1 . . . A 113 PRO CA . 11508 1 445 . 1 1 39 39 PRO CB C 13 31.499 0.07 . 1 . . . A 113 PRO CB . 11508 1 446 . 1 1 39 39 PRO CG C 13 27.568 0.048 . 1 . . . A 113 PRO CG . 11508 1 447 . 1 1 39 39 PRO CD C 13 50.123 0.035 . 1 . . . A 113 PRO CD . 11508 1 448 . 1 1 40 40 GLY H H 1 9.056 0.003 . 1 . . . A 114 GLY H . 11508 1 449 . 1 1 40 40 GLY HA2 H 1 3.534 0.01 . 2 . . . A 114 GLY HA2 . 11508 1 450 . 1 1 40 40 GLY HA3 H 1 4.394 0.006 . 2 . . . A 114 GLY HA3 . 11508 1 451 . 1 1 40 40 GLY C C 13 173.075 0 . 1 . . . A 114 GLY C . 11508 1 452 . 1 1 40 40 GLY CA C 13 45.511 0.102 . 1 . . . A 114 GLY CA . 11508 1 453 . 1 1 40 40 GLY N N 15 116.162 0.036 . 1 . . . A 114 GLY N . 11508 1 454 . 1 1 41 41 ASP H H 1 8.106 0.003 . 1 . . . A 115 ASP H . 11508 1 455 . 1 1 41 41 ASP HA H 1 5.235 0.006 . 1 . . . A 115 ASP HA . 11508 1 456 . 1 1 41 41 ASP HB2 H 1 3.09 0.012 . 2 . . . A 115 ASP HB2 . 11508 1 457 . 1 1 41 41 ASP HB3 H 1 3.167 0.014 . 2 . . . A 115 ASP HB3 . 11508 1 458 . 1 1 41 41 ASP C C 13 176.467 0 . 1 . . . A 115 ASP C . 11508 1 459 . 1 1 41 41 ASP CA C 13 53.138 0.078 . 1 . . . A 115 ASP CA . 11508 1 460 . 1 1 41 41 ASP CB C 13 42.031 0.068 . 1 . . . A 115 ASP CB . 11508 1 461 . 1 1 41 41 ASP N N 15 119.654 0.045 . 1 . . . A 115 ASP N . 11508 1 462 . 1 1 42 42 TYR H H 1 8.641 0.007 . 1 . . . A 116 TYR H . 11508 1 463 . 1 1 42 42 TYR HA H 1 5.325 0.004 . 1 . . . A 116 TYR HA . 11508 1 464 . 1 1 42 42 TYR HB2 H 1 2.766 0.01 . 2 . . . A 116 TYR HB2 . 11508 1 465 . 1 1 42 42 TYR HB3 H 1 3.189 0.012 . 2 . . . A 116 TYR HB3 . 11508 1 466 . 1 1 42 42 TYR HD1 H 1 6.916 0.008 . 3 . . . A 116 TYR HD1 . 11508 1 467 . 1 1 42 42 TYR HE1 H 1 6.697 0.013 . 3 . . . A 116 TYR HE1 . 11508 1 468 . 1 1 42 42 TYR C C 13 173.303 0 . 1 . . . A 116 TYR C . 11508 1 469 . 1 1 42 42 TYR CA C 13 56.641 0.075 . 1 . . . A 116 TYR CA . 11508 1 470 . 1 1 42 42 TYR CB C 13 42.774 0.102 . 1 . . . A 116 TYR CB . 11508 1 471 . 1 1 42 42 TYR CD1 C 13 132.445 0.013 . 3 . . . A 116 TYR CD1 . 11508 1 472 . 1 1 42 42 TYR CE1 C 13 118.338 0.025 . 3 . . . A 116 TYR CE1 . 11508 1 473 . 1 1 42 42 TYR N N 15 117.145 0.049 . 1 . . . A 116 TYR N . 11508 1 474 . 1 1 43 43 THR H H 1 9.75 0.007 . 1 . . . A 117 THR H . 11508 1 475 . 1 1 43 43 THR HA H 1 5.342 0.007 . 1 . . . A 117 THR HA . 11508 1 476 . 1 1 43 43 THR HB H 1 3.773 0.007 . 1 . . . A 117 THR HB . 11508 1 477 . 1 1 43 43 THR HG21 H 1 1.586 0.01 . 1 . . . A 117 THR HG21 . 11508 1 478 . 1 1 43 43 THR HG22 H 1 1.586 0.01 . 1 . . . A 117 THR HG22 . 11508 1 479 . 1 1 43 43 THR HG23 H 1 1.586 0.01 . 1 . . . A 117 THR HG23 . 11508 1 480 . 1 1 43 43 THR C C 13 172.909 0 . 1 . . . A 117 THR C . 11508 1 481 . 1 1 43 43 THR CA C 13 61.859 0.046 . 1 . . . A 117 THR CA . 11508 1 482 . 1 1 43 43 THR CB C 13 70.746 0.083 . 1 . . . A 117 THR CB . 11508 1 483 . 1 1 43 43 THR CG2 C 13 26.406 0.056 . 1 . . . A 117 THR CG2 . 11508 1 484 . 1 1 43 43 THR N N 15 117.281 0.026 . 1 . . . A 117 THR N . 11508 1 485 . 1 1 44 44 LEU H H 1 9.671 0.022 . 1 . . . A 118 LEU H . 11508 1 486 . 1 1 44 44 LEU HA H 1 4.983 0.007 . 1 . . . A 118 LEU HA . 11508 1 487 . 1 1 44 44 LEU HB2 H 1 1.378 0.009 . 2 . . . A 118 LEU HB2 . 11508 1 488 . 1 1 44 44 LEU HB3 H 1 2.092 0.012 . 2 . . . A 118 LEU HB3 . 11508 1 489 . 1 1 44 44 LEU HG H 1 1.47 0.008 . 1 . . . A 118 LEU HG . 11508 1 490 . 1 1 44 44 LEU HD11 H 1 0.671 0.007 . 2 . . . A 118 LEU HD11 . 11508 1 491 . 1 1 44 44 LEU HD12 H 1 0.671 0.007 . 2 . . . A 118 LEU HD12 . 11508 1 492 . 1 1 44 44 LEU HD13 H 1 0.671 0.007 . 2 . . . A 118 LEU HD13 . 11508 1 493 . 1 1 44 44 LEU HD21 H 1 0.386 0.017 . 2 . . . A 118 LEU HD21 . 11508 1 494 . 1 1 44 44 LEU HD22 H 1 0.386 0.017 . 2 . . . A 118 LEU HD22 . 11508 1 495 . 1 1 44 44 LEU HD23 H 1 0.386 0.017 . 2 . . . A 118 LEU HD23 . 11508 1 496 . 1 1 44 44 LEU C C 13 174.192 0 . 1 . . . A 118 LEU C . 11508 1 497 . 1 1 44 44 LEU CA C 13 53.733 0.24 . 1 . . . A 118 LEU CA . 11508 1 498 . 1 1 44 44 LEU CB C 13 43.79 0.042 . 1 . . . A 118 LEU CB . 11508 1 499 . 1 1 44 44 LEU CG C 13 27.741 0.038 . 1 . . . A 118 LEU CG . 11508 1 500 . 1 1 44 44 LEU CD1 C 13 23.8 0.023 . 2 . . . A 118 LEU CD1 . 11508 1 501 . 1 1 44 44 LEU CD2 C 13 27.082 0.031 . 2 . . . A 118 LEU CD2 . 11508 1 502 . 1 1 44 44 LEU N N 15 129.431 0.049 . 1 . . . A 118 LEU N . 11508 1 503 . 1 1 45 45 CYS H H 1 9.235 0.004 . 1 . . . A 119 CYS H . 11508 1 504 . 1 1 45 45 CYS HA H 1 5.281 0.014 . 1 . . . A 119 CYS HA . 11508 1 505 . 1 1 45 45 CYS HB2 H 1 2.448 0.02 . 2 . . . A 119 CYS HB2 . 11508 1 506 . 1 1 45 45 CYS HB3 H 1 2.564 0.011 . 2 . . . A 119 CYS HB3 . 11508 1 507 . 1 1 45 45 CYS C C 13 173.079 0 . 1 . . . A 119 CYS C . 11508 1 508 . 1 1 45 45 CYS CA C 13 56.353 0.048 . 1 . . . A 119 CYS CA . 11508 1 509 . 1 1 45 45 CYS CB C 13 29.241 0.017 . 1 . . . A 119 CYS CB . 11508 1 510 . 1 1 45 45 CYS N N 15 128.49 0.029 . 1 . . . A 119 CYS N . 11508 1 511 . 1 1 46 46 VAL H H 1 8.874 0.009 . 1 . . . A 120 VAL H . 11508 1 512 . 1 1 46 46 VAL HA H 1 5.213 0.01 . 1 . . . A 120 VAL HA . 11508 1 513 . 1 1 46 46 VAL HB H 1 1.828 0.008 . 1 . . . A 120 VAL HB . 11508 1 514 . 1 1 46 46 VAL HG11 H 1 0.867 0.006 . 2 . . . A 120 VAL HG11 . 11508 1 515 . 1 1 46 46 VAL HG12 H 1 0.867 0.006 . 2 . . . A 120 VAL HG12 . 11508 1 516 . 1 1 46 46 VAL HG13 H 1 0.867 0.006 . 2 . . . A 120 VAL HG13 . 11508 1 517 . 1 1 46 46 VAL HG21 H 1 0.932 0.008 . 2 . . . A 120 VAL HG21 . 11508 1 518 . 1 1 46 46 VAL HG22 H 1 0.932 0.008 . 2 . . . A 120 VAL HG22 . 11508 1 519 . 1 1 46 46 VAL HG23 H 1 0.932 0.008 . 2 . . . A 120 VAL HG23 . 11508 1 520 . 1 1 46 46 VAL C C 13 173.007 0 . 1 . . . A 120 VAL C . 11508 1 521 . 1 1 46 46 VAL CA C 13 58.962 0.03 . 1 . . . A 120 VAL CA . 11508 1 522 . 1 1 46 46 VAL CB C 13 35.974 0.105 . 1 . . . A 120 VAL CB . 11508 1 523 . 1 1 46 46 VAL CG1 C 13 22.145 0.083 . 2 . . . A 120 VAL CG1 . 11508 1 524 . 1 1 46 46 VAL CG2 C 13 20.534 0.036 . 2 . . . A 120 VAL CG2 . 11508 1 525 . 1 1 46 46 VAL N N 15 121.713 0.035 . 1 . . . A 120 VAL N . 11508 1 526 . 1 1 47 47 SER H H 1 8.644 0.005 . 1 . . . A 121 SER H . 11508 1 527 . 1 1 47 47 SER HA H 1 4.91 0.013 . 1 . . . A 121 SER HA . 11508 1 528 . 1 1 47 47 SER HB2 H 1 3.632 0.012 . 2 . . . A 121 SER HB2 . 11508 1 529 . 1 1 47 47 SER HB3 H 1 4.513 0.009 . 2 . . . A 121 SER HB3 . 11508 1 530 . 1 1 47 47 SER C C 13 174.542 0 . 1 . . . A 121 SER C . 11508 1 531 . 1 1 47 47 SER CA C 13 57.492 0.052 . 1 . . . A 121 SER CA . 11508 1 532 . 1 1 47 47 SER CB C 13 63.893 0.093 . 1 . . . A 121 SER CB . 11508 1 533 . 1 1 47 47 SER N N 15 120.515 0.035 . 1 . . . A 121 SER N . 11508 1 534 . 1 1 48 48 CYS H H 1 9.295 0.006 . 1 . . . A 122 CYS H . 11508 1 535 . 1 1 48 48 CYS HA H 1 4.634 0.006 . 1 . . . A 122 CYS HA . 11508 1 536 . 1 1 48 48 CYS HB2 H 1 3.123 0.006 . 2 . . . A 122 CYS HB2 . 11508 1 537 . 1 1 48 48 CYS HB3 H 1 3.563 0.009 . 2 . . . A 122 CYS HB3 . 11508 1 538 . 1 1 48 48 CYS C C 13 173.723 0 . 1 . . . A 122 CYS C . 11508 1 539 . 1 1 48 48 CYS CA C 13 54.985 0.077 . 1 . . . A 122 CYS CA . 11508 1 540 . 1 1 48 48 CYS CB C 13 46.343 0.095 . 1 . . . A 122 CYS CB . 11508 1 541 . 1 1 48 48 CYS N N 15 126.529 0.039 . 1 . . . A 122 CYS N . 11508 1 542 . 1 1 49 49 GLU H H 1 9.228 0.005 . 1 . . . A 123 GLU H . 11508 1 543 . 1 1 49 49 GLU HA H 1 3.869 0.005 . 1 . . . A 123 GLU HA . 11508 1 544 . 1 1 49 49 GLU HB2 H 1 1.966 0.012 . 2 . . . A 123 GLU HB2 . 11508 1 545 . 1 1 49 49 GLU HB3 H 1 2.28 0.009 . 2 . . . A 123 GLU HB3 . 11508 1 546 . 1 1 49 49 GLU HG2 H 1 2.223 0.005 . 2 . . . A 123 GLU HG2 . 11508 1 547 . 1 1 49 49 GLU HG3 H 1 2.345 0.006 . 2 . . . A 123 GLU HG3 . 11508 1 548 . 1 1 49 49 GLU C C 13 176.028 0 . 1 . . . A 123 GLU C . 11508 1 549 . 1 1 49 49 GLU CA C 13 56.89 0.049 . 1 . . . A 123 GLU CA . 11508 1 550 . 1 1 49 49 GLU CB C 13 27.448 0.032 . 1 . . . A 123 GLU CB . 11508 1 551 . 1 1 49 49 GLU CG C 13 36.345 0.042 . 1 . . . A 123 GLU CG . 11508 1 552 . 1 1 49 49 GLU N N 15 123.556 0.023 . 1 . . . A 123 GLU N . 11508 1 553 . 1 1 50 50 GLY H H 1 9.137 0.003 . 1 . . . A 124 GLY H . 11508 1 554 . 1 1 50 50 GLY HA2 H 1 3.361 0.01 . 2 . . . A 124 GLY HA2 . 11508 1 555 . 1 1 50 50 GLY HA3 H 1 4.203 0.005 . 2 . . . A 124 GLY HA3 . 11508 1 556 . 1 1 50 50 GLY C C 13 173.332 0 . 1 . . . A 124 GLY C . 11508 1 557 . 1 1 50 50 GLY CA C 13 45.399 0.108 . 1 . . . A 124 GLY CA . 11508 1 558 . 1 1 50 50 GLY N N 15 105.022 0.04 . 1 . . . A 124 GLY N . 11508 1 559 . 1 1 51 51 LYS H H 1 7.859 0.005 . 1 . . . A 125 LYS H . 11508 1 560 . 1 1 51 51 LYS HA H 1 4.744 0.012 . 1 . . . A 125 LYS HA . 11508 1 561 . 1 1 51 51 LYS HB2 H 1 1.771 0.009 . 2 . . . A 125 LYS HB2 . 11508 1 562 . 1 1 51 51 LYS HG2 H 1 1.271 0.008 . 2 . . . A 125 LYS HG2 . 11508 1 563 . 1 1 51 51 LYS HG3 H 1 1.372 0.007 . 2 . . . A 125 LYS HG3 . 11508 1 564 . 1 1 51 51 LYS HD2 H 1 1.618 0.007 . 2 . . . A 125 LYS HD2 . 11508 1 565 . 1 1 51 51 LYS HD3 H 1 1.659 0.004 . 2 . . . A 125 LYS HD3 . 11508 1 566 . 1 1 51 51 LYS HE2 H 1 2.919 0.012 . 2 . . . A 125 LYS HE2 . 11508 1 567 . 1 1 51 51 LYS HE3 H 1 2.98 0.009 . 2 . . . A 125 LYS HE3 . 11508 1 568 . 1 1 51 51 LYS C C 13 173.795 0 . 1 . . . A 125 LYS C . 11508 1 569 . 1 1 51 51 LYS CA C 13 54.156 0.123 . 1 . . . A 125 LYS CA . 11508 1 570 . 1 1 51 51 LYS CB C 13 35.241 0.04 . 1 . . . A 125 LYS CB . 11508 1 571 . 1 1 51 51 LYS CG C 13 23.946 0.047 . 1 . . . A 125 LYS CG . 11508 1 572 . 1 1 51 51 LYS CD C 13 28.897 0.018 . 1 . . . A 125 LYS CD . 11508 1 573 . 1 1 51 51 LYS CE C 13 42.214 0.051 . 1 . . . A 125 LYS CE . 11508 1 574 . 1 1 51 51 LYS N N 15 120.603 0.175 . 1 . . . A 125 LYS N . 11508 1 575 . 1 1 52 52 VAL H H 1 8.137 0.017 . 1 . . . A 126 VAL H . 11508 1 576 . 1 1 52 52 VAL HA H 1 4.433 0.009 . 1 . . . A 126 VAL HA . 11508 1 577 . 1 1 52 52 VAL HB H 1 1.842 0.007 . 1 . . . A 126 VAL HB . 11508 1 578 . 1 1 52 52 VAL HG11 H 1 0.957 0.009 . 2 . . . A 126 VAL HG11 . 11508 1 579 . 1 1 52 52 VAL HG12 H 1 0.957 0.009 . 2 . . . A 126 VAL HG12 . 11508 1 580 . 1 1 52 52 VAL HG13 H 1 0.957 0.009 . 2 . . . A 126 VAL HG13 . 11508 1 581 . 1 1 52 52 VAL HG21 H 1 0.159 0.01 . 2 . . . A 126 VAL HG21 . 11508 1 582 . 1 1 52 52 VAL HG22 H 1 0.159 0.01 . 2 . . . A 126 VAL HG22 . 11508 1 583 . 1 1 52 52 VAL HG23 H 1 0.159 0.01 . 2 . . . A 126 VAL HG23 . 11508 1 584 . 1 1 52 52 VAL C C 13 175.348 0 . 1 . . . A 126 VAL C . 11508 1 585 . 1 1 52 52 VAL CA C 13 62.21 0.098 . 1 . . . A 126 VAL CA . 11508 1 586 . 1 1 52 52 VAL CB C 13 32.395 0.068 . 1 . . . A 126 VAL CB . 11508 1 587 . 1 1 52 52 VAL CG1 C 13 23.648 0.041 . 2 . . . A 126 VAL CG1 . 11508 1 588 . 1 1 52 52 VAL CG2 C 13 22.886 0.034 . 2 . . . A 126 VAL CG2 . 11508 1 589 . 1 1 52 52 VAL N N 15 120.379 0.059 . 1 . . . A 126 VAL N . 11508 1 590 . 1 1 53 53 GLU H H 1 8.921 0.009 . 1 . . . A 127 GLU H . 11508 1 591 . 1 1 53 53 GLU HA H 1 4.282 0.012 . 1 . . . A 127 GLU HA . 11508 1 592 . 1 1 53 53 GLU HB2 H 1 1.657 0.013 . 2 . . . A 127 GLU HB2 . 11508 1 593 . 1 1 53 53 GLU HG2 H 1 2.207 0.011 . 2 . . . A 127 GLU HG2 . 11508 1 594 . 1 1 53 53 GLU HG3 H 1 2.609 0.01 . 2 . . . A 127 GLU HG3 . 11508 1 595 . 1 1 53 53 GLU C C 13 174.064 0 . 1 . . . A 127 GLU C . 11508 1 596 . 1 1 53 53 GLU CA C 13 54.608 0.064 . 1 . . . A 127 GLU CA . 11508 1 597 . 1 1 53 53 GLU CB C 13 30.769 0.12 . 1 . . . A 127 GLU CB . 11508 1 598 . 1 1 53 53 GLU CG C 13 35.749 0.15 . 1 . . . A 127 GLU CG . 11508 1 599 . 1 1 53 53 GLU N N 15 127.617 0.035 . 1 . . . A 127 GLU N . 11508 1 600 . 1 1 54 54 HIS H H 1 7.7 0.005 . 1 . . . A 128 HIS H . 11508 1 601 . 1 1 54 54 HIS HA H 1 5.1 0.015 . 1 . . . A 128 HIS HA . 11508 1 602 . 1 1 54 54 HIS HB2 H 1 2.489 0.011 . 2 . . . A 128 HIS HB2 . 11508 1 603 . 1 1 54 54 HIS HB3 H 1 2.73 0.015 . 2 . . . A 128 HIS HB3 . 11508 1 604 . 1 1 54 54 HIS HD2 H 1 6.78 0.01 . 1 . . . A 128 HIS HD2 . 11508 1 605 . 1 1 54 54 HIS HE1 H 1 7.069 0.011 . 1 . . . A 128 HIS HE1 . 11508 1 606 . 1 1 54 54 HIS C C 13 174.164 0 . 1 . . . A 128 HIS C . 11508 1 607 . 1 1 54 54 HIS CA C 13 55.087 0.098 . 1 . . . A 128 HIS CA . 11508 1 608 . 1 1 54 54 HIS CB C 13 33.803 0.036 . 1 . . . A 128 HIS CB . 11508 1 609 . 1 1 54 54 HIS CD2 C 13 119.751 0.018 . 1 . . . A 128 HIS CD2 . 11508 1 610 . 1 1 54 54 HIS CE1 C 13 136.305 0.019 . 1 . . . A 128 HIS CE1 . 11508 1 611 . 1 1 54 54 HIS N N 15 120.554 0.029 . 1 . . . A 128 HIS N . 11508 1 612 . 1 1 55 55 TYR H H 1 9.877 0.006 . 1 . . . A 129 TYR H . 11508 1 613 . 1 1 55 55 TYR HA H 1 5.054 0.009 . 1 . . . A 129 TYR HA . 11508 1 614 . 1 1 55 55 TYR HB2 H 1 2.787 0.013 . 2 . . . A 129 TYR HB2 . 11508 1 615 . 1 1 55 55 TYR HB3 H 1 2.853 0.009 . 2 . . . A 129 TYR HB3 . 11508 1 616 . 1 1 55 55 TYR HD1 H 1 6.827 0.007 . 3 . . . A 129 TYR HD1 . 11508 1 617 . 1 1 55 55 TYR HE1 H 1 6.485 0.008 . 3 . . . A 129 TYR HE1 . 11508 1 618 . 1 1 55 55 TYR C C 13 175.343 0 . 1 . . . A 129 TYR C . 11508 1 619 . 1 1 55 55 TYR CA C 13 56.772 0.098 . 1 . . . A 129 TYR CA . 11508 1 620 . 1 1 55 55 TYR CB C 13 40.304 0.112 . 1 . . . A 129 TYR CB . 11508 1 621 . 1 1 55 55 TYR CD1 C 13 133.492 0.034 . 3 . . . A 129 TYR CD1 . 11508 1 622 . 1 1 55 55 TYR CE1 C 13 118.637 0.033 . 3 . . . A 129 TYR CE1 . 11508 1 623 . 1 1 55 55 TYR N N 15 123.024 0.043 . 1 . . . A 129 TYR N . 11508 1 624 . 1 1 56 56 ARG H H 1 9.539 0.004 . 1 . . . A 130 ARG H . 11508 1 625 . 1 1 56 56 ARG HA H 1 4.399 0.012 . 1 . . . A 130 ARG HA . 11508 1 626 . 1 1 56 56 ARG HB2 H 1 1.348 0.011 . 2 . . . A 130 ARG HB2 . 11508 1 627 . 1 1 56 56 ARG HB3 H 1 1.528 0.008 . 2 . . . A 130 ARG HB3 . 11508 1 628 . 1 1 56 56 ARG HG2 H 1 0.989 0.012 . 2 . . . A 130 ARG HG2 . 11508 1 629 . 1 1 56 56 ARG HG3 H 1 1.16 0.006 . 2 . . . A 130 ARG HG3 . 11508 1 630 . 1 1 56 56 ARG HD3 H 1 2.373 0.015 . 2 . . . A 130 ARG HD3 . 11508 1 631 . 1 1 56 56 ARG HE H 1 6.811 0.008 . 1 . . . A 130 ARG HE . 11508 1 632 . 1 1 56 56 ARG C C 13 174.971 0 . 1 . . . A 130 ARG C . 11508 1 633 . 1 1 56 56 ARG CA C 13 57.086 0.045 . 1 . . . A 130 ARG CA . 11508 1 634 . 1 1 56 56 ARG CB C 13 30.795 0.009 . 1 . . . A 130 ARG CB . 11508 1 635 . 1 1 56 56 ARG CG C 13 25.769 0.057 . 1 . . . A 130 ARG CG . 11508 1 636 . 1 1 56 56 ARG CD C 13 43.282 0.108 . 1 . . . A 130 ARG CD . 11508 1 637 . 1 1 56 56 ARG N N 15 126.493 0.039 . 1 . . . A 130 ARG N . 11508 1 638 . 1 1 56 56 ARG NE N 15 86.016 0.028 . 1 . . . A 130 ARG NE . 11508 1 639 . 1 1 57 57 ILE H H 1 9.515 0.017 . 1 . . . A 131 ILE H . 11508 1 640 . 1 1 57 57 ILE HA H 1 4.155 0.011 . 1 . . . A 131 ILE HA . 11508 1 641 . 1 1 57 57 ILE HB H 1 2.021 0.008 . 1 . . . A 131 ILE HB . 11508 1 642 . 1 1 57 57 ILE HG13 H 1 1.808 0.007 . 2 . . . A 131 ILE HG13 . 11508 1 643 . 1 1 57 57 ILE HG21 H 1 0.787 0.004 . 1 . . . A 131 ILE HG21 . 11508 1 644 . 1 1 57 57 ILE HG22 H 1 0.787 0.004 . 1 . . . A 131 ILE HG22 . 11508 1 645 . 1 1 57 57 ILE HG23 H 1 0.787 0.004 . 1 . . . A 131 ILE HG23 . 11508 1 646 . 1 1 57 57 ILE HD11 H 1 0.83 0.009 . 1 . . . A 131 ILE HD11 . 11508 1 647 . 1 1 57 57 ILE HD12 H 1 0.83 0.009 . 1 . . . A 131 ILE HD12 . 11508 1 648 . 1 1 57 57 ILE HD13 H 1 0.83 0.009 . 1 . . . A 131 ILE HD13 . 11508 1 649 . 1 1 57 57 ILE C C 13 174.86 0 . 1 . . . A 131 ILE C . 11508 1 650 . 1 1 57 57 ILE CA C 13 60.263 0.078 . 1 . . . A 131 ILE CA . 11508 1 651 . 1 1 57 57 ILE CB C 13 38.04 0.026 . 1 . . . A 131 ILE CB . 11508 1 652 . 1 1 57 57 ILE CG1 C 13 25.665 0.049 . 1 . . . A 131 ILE CG1 . 11508 1 653 . 1 1 57 57 ILE CG2 C 13 20.12 0.03 . 1 . . . A 131 ILE CG2 . 11508 1 654 . 1 1 57 57 ILE CD1 C 13 15.531 0.036 . 1 . . . A 131 ILE CD1 . 11508 1 655 . 1 1 57 57 ILE N N 15 128.36 0.032 . 1 . . . A 131 ILE N . 11508 1 656 . 1 1 58 58 MET H H 1 8.633 0.006 . 1 . . . A 132 MET H . 11508 1 657 . 1 1 58 58 MET HA H 1 4.085 0.009 . 1 . . . A 132 MET HA . 11508 1 658 . 1 1 58 58 MET HB2 H 1 1.768 0.007 . 2 . . . A 132 MET HB2 . 11508 1 659 . 1 1 58 58 MET HB3 H 1 2.068 0.008 . 2 . . . A 132 MET HB3 . 11508 1 660 . 1 1 58 58 MET HG2 H 1 2.322 0.006 . 2 . . . A 132 MET HG2 . 11508 1 661 . 1 1 58 58 MET C C 13 175.766 0 . 1 . . . A 132 MET C . 11508 1 662 . 1 1 58 58 MET CA C 13 56.505 0.045 . 1 . . . A 132 MET CA . 11508 1 663 . 1 1 58 58 MET CB C 13 33.921 0.034 . 1 . . . A 132 MET CB . 11508 1 664 . 1 1 58 58 MET CG C 13 32.445 0.021 . 1 . . . A 132 MET CG . 11508 1 665 . 1 1 58 58 MET N N 15 125.874 0.039 . 1 . . . A 132 MET N . 11508 1 666 . 1 1 59 59 TYR H H 1 8.959 0.006 . 1 . . . A 133 TYR H . 11508 1 667 . 1 1 59 59 TYR HA H 1 5.573 0.006 . 1 . . . A 133 TYR HA . 11508 1 668 . 1 1 59 59 TYR HB2 H 1 2.885 0.01 . 2 . . . A 133 TYR HB2 . 11508 1 669 . 1 1 59 59 TYR HB3 H 1 3.499 0.007 . 2 . . . A 133 TYR HB3 . 11508 1 670 . 1 1 59 59 TYR HD1 H 1 7.201 0.008 . 3 . . . A 133 TYR HD1 . 11508 1 671 . 1 1 59 59 TYR HE1 H 1 6.784 0.011 . 3 . . . A 133 TYR HE1 . 11508 1 672 . 1 1 59 59 TYR C C 13 175.466 0 . 1 . . . A 133 TYR C . 11508 1 673 . 1 1 59 59 TYR CA C 13 55.659 0.061 . 1 . . . A 133 TYR CA . 11508 1 674 . 1 1 59 59 TYR CB C 13 39.127 0.02 . 1 . . . A 133 TYR CB . 11508 1 675 . 1 1 59 59 TYR CD1 C 13 133.212 0.006 . 3 . . . A 133 TYR CD1 . 11508 1 676 . 1 1 59 59 TYR CE1 C 13 117.626 0.012 . 3 . . . A 133 TYR CE1 . 11508 1 677 . 1 1 59 59 TYR N N 15 126.525 0.049 . 1 . . . A 133 TYR N . 11508 1 678 . 1 1 60 60 HIS H H 1 8.773 0.003 . 1 . . . A 134 HIS H . 11508 1 679 . 1 1 60 60 HIS HA H 1 4.569 0.01 . 1 . . . A 134 HIS HA . 11508 1 680 . 1 1 60 60 HIS HB2 H 1 3.126 0.008 . 2 . . . A 134 HIS HB2 . 11508 1 681 . 1 1 60 60 HIS HD2 H 1 7.185 0.006 . 1 . . . A 134 HIS HD2 . 11508 1 682 . 1 1 60 60 HIS HE1 H 1 8.469 0.003 . 1 . . . A 134 HIS HE1 . 11508 1 683 . 1 1 60 60 HIS C C 13 173.984 0 . 1 . . . A 134 HIS C . 11508 1 684 . 1 1 60 60 HIS CA C 13 55.32 0.064 . 1 . . . A 134 HIS CA . 11508 1 685 . 1 1 60 60 HIS CB C 13 30.91 0.077 . 1 . . . A 134 HIS CB . 11508 1 686 . 1 1 60 60 HIS CD2 C 13 120.081 0.006 . 1 . . . A 134 HIS CD2 . 11508 1 687 . 1 1 60 60 HIS CE1 C 13 136.802 0 . 1 . . . A 134 HIS CE1 . 11508 1 688 . 1 1 60 60 HIS N N 15 124.499 0.03 . 1 . . . A 134 HIS N . 11508 1 689 . 1 1 61 61 ALA H H 1 9.032 0.006 . 1 . . . A 135 ALA H . 11508 1 690 . 1 1 61 61 ALA HA H 1 3.831 0.004 . 1 . . . A 135 ALA HA . 11508 1 691 . 1 1 61 61 ALA HB1 H 1 1.114 0.004 . 1 . . . A 135 ALA HB1 . 11508 1 692 . 1 1 61 61 ALA HB2 H 1 1.114 0.004 . 1 . . . A 135 ALA HB2 . 11508 1 693 . 1 1 61 61 ALA HB3 H 1 1.114 0.004 . 1 . . . A 135 ALA HB3 . 11508 1 694 . 1 1 61 61 ALA C C 13 176.416 0 . 1 . . . A 135 ALA C . 11508 1 695 . 1 1 61 61 ALA CA C 13 53.293 0.037 . 1 . . . A 135 ALA CA . 11508 1 696 . 1 1 61 61 ALA CB C 13 16.537 0.048 . 1 . . . A 135 ALA CB . 11508 1 697 . 1 1 61 61 ALA N N 15 130.602 0.052 . 1 . . . A 135 ALA N . 11508 1 698 . 1 1 62 62 SER H H 1 8.112 0.004 . 1 . . . A 136 SER H . 11508 1 699 . 1 1 62 62 SER HA H 1 3.967 0.008 . 1 . . . A 136 SER HA . 11508 1 700 . 1 1 62 62 SER HB2 H 1 4.146 0.008 . 2 . . . A 136 SER HB2 . 11508 1 701 . 1 1 62 62 SER HB3 H 1 4.191 0.003 . 2 . . . A 136 SER HB3 . 11508 1 702 . 1 1 62 62 SER C C 13 173.201 0 . 1 . . . A 136 SER C . 11508 1 703 . 1 1 62 62 SER CA C 13 60.231 0.05 . 1 . . . A 136 SER CA . 11508 1 704 . 1 1 62 62 SER CB C 13 62.491 0.077 . 1 . . . A 136 SER CB . 11508 1 705 . 1 1 62 62 SER N N 15 106.542 0.039 . 1 . . . A 136 SER N . 11508 1 706 . 1 1 63 63 LYS H H 1 7.872 0.006 . 1 . . . A 137 LYS H . 11508 1 707 . 1 1 63 63 LYS HA H 1 5.12 0.008 . 1 . . . A 137 LYS HA . 11508 1 708 . 1 1 63 63 LYS HB2 H 1 1.907 0.007 . 2 . . . A 137 LYS HB2 . 11508 1 709 . 1 1 63 63 LYS HB3 H 1 1.934 0.008 . 2 . . . A 137 LYS HB3 . 11508 1 710 . 1 1 63 63 LYS HG2 H 1 1.34 0.006 . 2 . . . A 137 LYS HG2 . 11508 1 711 . 1 1 63 63 LYS HG3 H 1 1.409 0.006 . 2 . . . A 137 LYS HG3 . 11508 1 712 . 1 1 63 63 LYS HD2 H 1 1.345 0.004 . 2 . . . A 137 LYS HD2 . 11508 1 713 . 1 1 63 63 LYS HD3 H 1 1.51 0.007 . 2 . . . A 137 LYS HD3 . 11508 1 714 . 1 1 63 63 LYS HE2 H 1 2.765 0.011 . 2 . . . A 137 LYS HE2 . 11508 1 715 . 1 1 63 63 LYS C C 13 174.547 0 . 1 . . . A 137 LYS C . 11508 1 716 . 1 1 63 63 LYS CA C 13 54.692 0.034 . 1 . . . A 137 LYS CA . 11508 1 717 . 1 1 63 63 LYS CB C 13 37.041 0.012 . 1 . . . A 137 LYS CB . 11508 1 718 . 1 1 63 63 LYS CG C 13 25.196 0.024 . 1 . . . A 137 LYS CG . 11508 1 719 . 1 1 63 63 LYS CD C 13 28.906 0.087 . 1 . . . A 137 LYS CD . 11508 1 720 . 1 1 63 63 LYS CE C 13 42.17 0.015 . 1 . . . A 137 LYS CE . 11508 1 721 . 1 1 63 63 LYS N N 15 120.173 0.078 . 1 . . . A 137 LYS N . 11508 1 722 . 1 1 64 64 LEU H H 1 9.063 0.006 . 1 . . . A 138 LEU H . 11508 1 723 . 1 1 64 64 LEU HA H 1 5.838 0.045 . 1 . . . A 138 LEU HA . 11508 1 724 . 1 1 64 64 LEU HB2 H 1 1.32 0.008 . 2 . . . A 138 LEU HB2 . 11508 1 725 . 1 1 64 64 LEU HB3 H 1 1.554 0.013 . 2 . . . A 138 LEU HB3 . 11508 1 726 . 1 1 64 64 LEU HG H 1 1.613 0.011 . 1 . . . A 138 LEU HG . 11508 1 727 . 1 1 64 64 LEU HD11 H 1 0.623 0.01 . 2 . . . A 138 LEU HD11 . 11508 1 728 . 1 1 64 64 LEU HD12 H 1 0.623 0.01 . 2 . . . A 138 LEU HD12 . 11508 1 729 . 1 1 64 64 LEU HD13 H 1 0.623 0.01 . 2 . . . A 138 LEU HD13 . 11508 1 730 . 1 1 64 64 LEU HD21 H 1 0.774 0.01 . 2 . . . A 138 LEU HD21 . 11508 1 731 . 1 1 64 64 LEU HD22 H 1 0.774 0.01 . 2 . . . A 138 LEU HD22 . 11508 1 732 . 1 1 64 64 LEU HD23 H 1 0.774 0.01 . 2 . . . A 138 LEU HD23 . 11508 1 733 . 1 1 64 64 LEU C C 13 177.624 0 . 1 . . . A 138 LEU C . 11508 1 734 . 1 1 64 64 LEU CA C 13 53.455 0.036 . 1 . . . A 138 LEU CA . 11508 1 735 . 1 1 64 64 LEU CB C 13 46.212 0.004 . 1 . . . A 138 LEU CB . 11508 1 736 . 1 1 64 64 LEU CG C 13 27.399 0.031 . 1 . . . A 138 LEU CG . 11508 1 737 . 1 1 64 64 LEU CD1 C 13 26.109 0.035 . 2 . . . A 138 LEU CD1 . 11508 1 738 . 1 1 64 64 LEU CD2 C 13 25.141 0.017 . 2 . . . A 138 LEU CD2 . 11508 1 739 . 1 1 64 64 LEU N N 15 119.648 0.043 . 1 . . . A 138 LEU N . 11508 1 740 . 1 1 65 65 SER H H 1 8.462 0.007 . 1 . . . A 139 SER H . 11508 1 741 . 1 1 65 65 SER HA H 1 4.506 0.01 . 1 . . . A 139 SER HA . 11508 1 742 . 1 1 65 65 SER HB2 H 1 3.022 0.012 . 2 . . . A 139 SER HB2 . 11508 1 743 . 1 1 65 65 SER HB3 H 1 3.529 0.012 . 2 . . . A 139 SER HB3 . 11508 1 744 . 1 1 65 65 SER C C 13 173.233 0 . 1 . . . A 139 SER C . 11508 1 745 . 1 1 65 65 SER CA C 13 59.072 0.049 . 1 . . . A 139 SER CA . 11508 1 746 . 1 1 65 65 SER CB C 13 67.063 0.101 . 1 . . . A 139 SER CB . 11508 1 747 . 1 1 65 65 SER N N 15 112.074 0.046 . 1 . . . A 139 SER N . 11508 1 748 . 1 1 66 66 ILE H H 1 9.772 0.01 . 1 . . . A 140 ILE H . 11508 1 749 . 1 1 66 66 ILE HA H 1 4.769 0.007 . 1 . . . A 140 ILE HA . 11508 1 750 . 1 1 66 66 ILE HB H 1 1.683 0.008 . 1 . . . A 140 ILE HB . 11508 1 751 . 1 1 66 66 ILE HG12 H 1 1.03 0.017 . 2 . . . A 140 ILE HG12 . 11508 1 752 . 1 1 66 66 ILE HG13 H 1 1.605 0.005 . 2 . . . A 140 ILE HG13 . 11508 1 753 . 1 1 66 66 ILE HG21 H 1 0.8 0.006 . 1 . . . A 140 ILE HG21 . 11508 1 754 . 1 1 66 66 ILE HG22 H 1 0.8 0.006 . 1 . . . A 140 ILE HG22 . 11508 1 755 . 1 1 66 66 ILE HG23 H 1 0.8 0.006 . 1 . . . A 140 ILE HG23 . 11508 1 756 . 1 1 66 66 ILE HD11 H 1 0.363 0.012 . 1 . . . A 140 ILE HD11 . 11508 1 757 . 1 1 66 66 ILE HD12 H 1 0.363 0.012 . 1 . . . A 140 ILE HD12 . 11508 1 758 . 1 1 66 66 ILE HD13 H 1 0.363 0.012 . 1 . . . A 140 ILE HD13 . 11508 1 759 . 1 1 66 66 ILE C C 13 176.896 0 . 1 . . . A 140 ILE C . 11508 1 760 . 1 1 66 66 ILE CA C 13 62.461 0.069 . 1 . . . A 140 ILE CA . 11508 1 761 . 1 1 66 66 ILE CB C 13 39.929 0.044 . 1 . . . A 140 ILE CB . 11508 1 762 . 1 1 66 66 ILE CG1 C 13 29.34 0.084 . 1 . . . A 140 ILE CG1 . 11508 1 763 . 1 1 66 66 ILE CG2 C 13 17.247 0.037 . 1 . . . A 140 ILE CG2 . 11508 1 764 . 1 1 66 66 ILE CD1 C 13 13.855 0.034 . 1 . . . A 140 ILE CD1 . 11508 1 765 . 1 1 66 66 ILE N N 15 125.283 0.035 . 1 . . . A 140 ILE N . 11508 1 766 . 1 1 67 67 ASP H H 1 8.141 0.008 . 1 . . . A 141 ASP H . 11508 1 767 . 1 1 67 67 ASP HA H 1 4.543 0.007 . 1 . . . A 141 ASP HA . 11508 1 768 . 1 1 67 67 ASP HB2 H 1 2.595 0.012 . 2 . . . A 141 ASP HB2 . 11508 1 769 . 1 1 67 67 ASP HB3 H 1 3.07 0.008 . 2 . . . A 141 ASP HB3 . 11508 1 770 . 1 1 67 67 ASP C C 13 176.449 0 . 1 . . . A 141 ASP C . 11508 1 771 . 1 1 67 67 ASP CA C 13 53.326 0.043 . 1 . . . A 141 ASP CA . 11508 1 772 . 1 1 67 67 ASP CB C 13 42.499 0.06 . 1 . . . A 141 ASP CB . 11508 1 773 . 1 1 67 67 ASP N N 15 118.277 0.064 . 1 . . . A 141 ASP N . 11508 1 774 . 1 1 68 68 GLU H H 1 8.532 0.008 . 1 . . . A 142 GLU H . 11508 1 775 . 1 1 68 68 GLU HA H 1 3.218 0.008 . 1 . . . A 142 GLU HA . 11508 1 776 . 1 1 68 68 GLU HB2 H 1 2.181 0.004 . 2 . . . A 142 GLU HB2 . 11508 1 777 . 1 1 68 68 GLU HB3 H 1 2.288 0.004 . 2 . . . A 142 GLU HB3 . 11508 1 778 . 1 1 68 68 GLU HG2 H 1 2.006 0.011 . 2 . . . A 142 GLU HG2 . 11508 1 779 . 1 1 68 68 GLU HG3 H 1 2.042 0.008 . 2 . . . A 142 GLU HG3 . 11508 1 780 . 1 1 68 68 GLU C C 13 173.957 0 . 1 . . . A 142 GLU C . 11508 1 781 . 1 1 68 68 GLU CA C 13 58.706 0.052 . 1 . . . A 142 GLU CA . 11508 1 782 . 1 1 68 68 GLU CB C 13 27.791 0.023 . 1 . . . A 142 GLU CB . 11508 1 783 . 1 1 68 68 GLU CG C 13 38.108 0.01 . 1 . . . A 142 GLU CG . 11508 1 784 . 1 1 68 68 GLU N N 15 114.384 0.044 . 1 . . . A 142 GLU N . 11508 1 785 . 1 1 69 69 GLU H H 1 8.471 0.005 . 1 . . . A 143 GLU H . 11508 1 786 . 1 1 69 69 GLU HA H 1 4.403 0.007 . 1 . . . A 143 GLU HA . 11508 1 787 . 1 1 69 69 GLU HB2 H 1 1.669 0.008 . 2 . . . A 143 GLU HB2 . 11508 1 788 . 1 1 69 69 GLU HB3 H 1 1.854 0.006 . 2 . . . A 143 GLU HB3 . 11508 1 789 . 1 1 69 69 GLU HG2 H 1 2.057 0.012 . 2 . . . A 143 GLU HG2 . 11508 1 790 . 1 1 69 69 GLU HG3 H 1 2.144 0.016 . 2 . . . A 143 GLU HG3 . 11508 1 791 . 1 1 69 69 GLU C C 13 175.769 0 . 1 . . . A 143 GLU C . 11508 1 792 . 1 1 69 69 GLU CA C 13 57.387 0.101 . 1 . . . A 143 GLU CA . 11508 1 793 . 1 1 69 69 GLU CB C 13 32.132 0.073 . 1 . . . A 143 GLU CB . 11508 1 794 . 1 1 69 69 GLU CG C 13 35.686 0.201 . 1 . . . A 143 GLU CG . 11508 1 795 . 1 1 69 69 GLU N N 15 118.121 0.037 . 1 . . . A 143 GLU N . 11508 1 796 . 1 1 70 70 VAL H H 1 9.38 0.008 . 1 . . . A 144 VAL H . 11508 1 797 . 1 1 70 70 VAL HA H 1 4.217 0.007 . 1 . . . A 144 VAL HA . 11508 1 798 . 1 1 70 70 VAL HB H 1 1.718 0.009 . 1 . . . A 144 VAL HB . 11508 1 799 . 1 1 70 70 VAL HG11 H 1 0.513 0.012 . 2 . . . A 144 VAL HG11 . 11508 1 800 . 1 1 70 70 VAL HG12 H 1 0.513 0.012 . 2 . . . A 144 VAL HG12 . 11508 1 801 . 1 1 70 70 VAL HG13 H 1 0.513 0.012 . 2 . . . A 144 VAL HG13 . 11508 1 802 . 1 1 70 70 VAL HG21 H 1 0.626 0.008 . 2 . . . A 144 VAL HG21 . 11508 1 803 . 1 1 70 70 VAL HG22 H 1 0.626 0.008 . 2 . . . A 144 VAL HG22 . 11508 1 804 . 1 1 70 70 VAL HG23 H 1 0.626 0.008 . 2 . . . A 144 VAL HG23 . 11508 1 805 . 1 1 70 70 VAL C C 13 173.96 0 . 1 . . . A 144 VAL C . 11508 1 806 . 1 1 70 70 VAL CA C 13 60.724 0.084 . 1 . . . A 144 VAL CA . 11508 1 807 . 1 1 70 70 VAL CB C 13 33.165 0.042 . 1 . . . A 144 VAL CB . 11508 1 808 . 1 1 70 70 VAL CG1 C 13 21.228 0.035 . 2 . . . A 144 VAL CG1 . 11508 1 809 . 1 1 70 70 VAL CG2 C 13 21.465 0.057 . 2 . . . A 144 VAL CG2 . 11508 1 810 . 1 1 70 70 VAL N N 15 122.58 0.044 . 1 . . . A 144 VAL N . 11508 1 811 . 1 1 71 71 TYR H H 1 8.3 0.004 . 1 . . . A 145 TYR H . 11508 1 812 . 1 1 71 71 TYR HA H 1 4.911 0.011 . 1 . . . A 145 TYR HA . 11508 1 813 . 1 1 71 71 TYR HB2 H 1 2.597 0.007 . 2 . . . A 145 TYR HB2 . 11508 1 814 . 1 1 71 71 TYR HD1 H 1 6.797 0.008 . 3 . . . A 145 TYR HD1 . 11508 1 815 . 1 1 71 71 TYR HE1 H 1 6.504 0.007 . 3 . . . A 145 TYR HE1 . 11508 1 816 . 1 1 71 71 TYR C C 13 174.785 0 . 1 . . . A 145 TYR C . 11508 1 817 . 1 1 71 71 TYR CA C 13 56.087 0.048 . 1 . . . A 145 TYR CA . 11508 1 818 . 1 1 71 71 TYR CB C 13 42.297 0.057 . 1 . . . A 145 TYR CB . 11508 1 819 . 1 1 71 71 TYR CD1 C 13 133.316 0.012 . 3 . . . A 145 TYR CD1 . 11508 1 820 . 1 1 71 71 TYR CE1 C 13 117.728 0.012 . 3 . . . A 145 TYR CE1 . 11508 1 821 . 1 1 71 71 TYR N N 15 126.571 0.033 . 1 . . . A 145 TYR N . 11508 1 822 . 1 1 72 72 PHE H H 1 9.312 0.007 . 1 . . . A 146 PHE H . 11508 1 823 . 1 1 72 72 PHE HA H 1 5.03 0.008 . 1 . . . A 146 PHE HA . 11508 1 824 . 1 1 72 72 PHE HB2 H 1 2.555 0.014 . 2 . . . A 146 PHE HB2 . 11508 1 825 . 1 1 72 72 PHE HB3 H 1 3.614 0.012 . 2 . . . A 146 PHE HB3 . 11508 1 826 . 1 1 72 72 PHE HD1 H 1 7.149 0.011 . 3 . . . A 146 PHE HD1 . 11508 1 827 . 1 1 72 72 PHE HE1 H 1 7.143 0.007 . 3 . . . A 146 PHE HE1 . 11508 1 828 . 1 1 72 72 PHE HZ H 1 6.097 0.008 . 1 . . . A 146 PHE HZ . 11508 1 829 . 1 1 72 72 PHE C C 13 175.583 0 . 1 . . . A 146 PHE C . 11508 1 830 . 1 1 72 72 PHE CA C 13 56.151 0.106 . 1 . . . A 146 PHE CA . 11508 1 831 . 1 1 72 72 PHE CB C 13 43.555 0.011 . 1 . . . A 146 PHE CB . 11508 1 832 . 1 1 72 72 PHE CD1 C 13 132.43 0.034 . 3 . . . A 146 PHE CD1 . 11508 1 833 . 1 1 72 72 PHE CE1 C 13 131.036 0.03 . 3 . . . A 146 PHE CE1 . 11508 1 834 . 1 1 72 72 PHE CZ C 13 129.249 0.01 . 1 . . . A 146 PHE CZ . 11508 1 835 . 1 1 72 72 PHE N N 15 117.359 0.046 . 1 . . . A 146 PHE N . 11508 1 836 . 1 1 73 73 GLU H H 1 8.976 0.007 . 1 . . . A 147 GLU H . 11508 1 837 . 1 1 73 73 GLU HA H 1 4.448 0.005 . 1 . . . A 147 GLU HA . 11508 1 838 . 1 1 73 73 GLU HB2 H 1 2.101 0.004 . 2 . . . A 147 GLU HB2 . 11508 1 839 . 1 1 73 73 GLU HB3 H 1 2.252 0.009 . 2 . . . A 147 GLU HB3 . 11508 1 840 . 1 1 73 73 GLU HG2 H 1 2.395 0.006 . 2 . . . A 147 GLU HG2 . 11508 1 841 . 1 1 73 73 GLU HG3 H 1 2.497 0.013 . 2 . . . A 147 GLU HG3 . 11508 1 842 . 1 1 73 73 GLU C C 13 176.431 0 . 1 . . . A 147 GLU C . 11508 1 843 . 1 1 73 73 GLU CA C 13 57.957 0.118 . 1 . . . A 147 GLU CA . 11508 1 844 . 1 1 73 73 GLU CB C 13 31.048 0.064 . 1 . . . A 147 GLU CB . 11508 1 845 . 1 1 73 73 GLU CG C 13 37.051 0.078 . 1 . . . A 147 GLU CG . 11508 1 846 . 1 1 73 73 GLU N N 15 118.819 0.044 . 1 . . . A 147 GLU N . 11508 1 847 . 1 1 74 74 ASN H H 1 7.546 0.011 . 1 . . . A 148 ASN H . 11508 1 848 . 1 1 74 74 ASN HA H 1 4.613 0.015 . 1 . . . A 148 ASN HA . 11508 1 849 . 1 1 74 74 ASN HB2 H 1 3.02 0.012 . 2 . . . A 148 ASN HB2 . 11508 1 850 . 1 1 74 74 ASN HB3 H 1 3.083 0.012 . 2 . . . A 148 ASN HB3 . 11508 1 851 . 1 1 74 74 ASN HD21 H 1 7.126 0.009 . 2 . . . A 148 ASN HD21 . 11508 1 852 . 1 1 74 74 ASN HD22 H 1 7.793 0.015 . 2 . . . A 148 ASN HD22 . 11508 1 853 . 1 1 74 74 ASN C C 13 175.01 0 . 1 . . . A 148 ASN C . 11508 1 854 . 1 1 74 74 ASN CA C 13 52.172 0.064 . 1 . . . A 148 ASN CA . 11508 1 855 . 1 1 74 74 ASN CB C 13 40.446 0.012 . 1 . . . A 148 ASN CB . 11508 1 856 . 1 1 74 74 ASN N N 15 108.539 0.037 . 1 . . . A 148 ASN N . 11508 1 857 . 1 1 74 74 ASN ND2 N 15 115.968 0.035 . 1 . . . A 148 ASN ND2 . 11508 1 858 . 1 1 75 75 LEU H H 1 9.046 0.012 . 1 . . . A 149 LEU H . 11508 1 859 . 1 1 75 75 LEU HA H 1 3.835 0.007 . 1 . . . A 149 LEU HA . 11508 1 860 . 1 1 75 75 LEU HB2 H 1 1.451 0.009 . 2 . . . A 149 LEU HB2 . 11508 1 861 . 1 1 75 75 LEU HB3 H 1 1.854 0.005 . 2 . . . A 149 LEU HB3 . 11508 1 862 . 1 1 75 75 LEU HG H 1 1.35 0.009 . 1 . . . A 149 LEU HG . 11508 1 863 . 1 1 75 75 LEU HD11 H 1 0.1 0.006 . 2 . . . A 149 LEU HD11 . 11508 1 864 . 1 1 75 75 LEU HD12 H 1 0.1 0.006 . 2 . . . A 149 LEU HD12 . 11508 1 865 . 1 1 75 75 LEU HD13 H 1 0.1 0.006 . 2 . . . A 149 LEU HD13 . 11508 1 866 . 1 1 75 75 LEU HD21 H 1 0.574 0.011 . 2 . . . A 149 LEU HD21 . 11508 1 867 . 1 1 75 75 LEU HD22 H 1 0.574 0.011 . 2 . . . A 149 LEU HD22 . 11508 1 868 . 1 1 75 75 LEU HD23 H 1 0.574 0.011 . 2 . . . A 149 LEU HD23 . 11508 1 869 . 1 1 75 75 LEU C C 13 177.973 0 . 1 . . . A 149 LEU C . 11508 1 870 . 1 1 75 75 LEU CA C 13 57.271 0.086 . 1 . . . A 149 LEU CA . 11508 1 871 . 1 1 75 75 LEU CB C 13 43.649 0.076 . 1 . . . A 149 LEU CB . 11508 1 872 . 1 1 75 75 LEU CG C 13 26.936 0.019 . 1 . . . A 149 LEU CG . 11508 1 873 . 1 1 75 75 LEU CD1 C 13 24.916 0.058 . 2 . . . A 149 LEU CD1 . 11508 1 874 . 1 1 75 75 LEU CD2 C 13 24.455 0.026 . 2 . . . A 149 LEU CD2 . 11508 1 875 . 1 1 75 75 LEU N N 15 118.256 0.033 . 1 . . . A 149 LEU N . 11508 1 876 . 1 1 76 76 MET H H 1 8.3 0.007 . 1 . . . A 150 MET H . 11508 1 877 . 1 1 76 76 MET HA H 1 4.28 0.008 . 1 . . . A 150 MET HA . 11508 1 878 . 1 1 76 76 MET HB2 H 1 2.277 0.011 . 2 . . . A 150 MET HB2 . 11508 1 879 . 1 1 76 76 MET HB3 H 1 2.304 0.009 . 2 . . . A 150 MET HB3 . 11508 1 880 . 1 1 76 76 MET HG2 H 1 2.693 0.015 . 2 . . . A 150 MET HG2 . 11508 1 881 . 1 1 76 76 MET HG3 H 1 2.773 0.025 . 2 . . . A 150 MET HG3 . 11508 1 882 . 1 1 76 76 MET C C 13 178.776 0 . 1 . . . A 150 MET C . 11508 1 883 . 1 1 76 76 MET CA C 13 60.226 0.088 . 1 . . . A 150 MET CA . 11508 1 884 . 1 1 76 76 MET CB C 13 31.224 0.053 . 1 . . . A 150 MET CB . 11508 1 885 . 1 1 76 76 MET CG C 13 32.908 0.038 . 1 . . . A 150 MET CG . 11508 1 886 . 1 1 76 76 MET N N 15 119.635 0.034 . 1 . . . A 150 MET N . 11508 1 887 . 1 1 77 77 GLN H H 1 8.375 0.004 . 1 . . . A 151 GLN H . 11508 1 888 . 1 1 77 77 GLN HA H 1 4.043 0.005 . 1 . . . A 151 GLN HA . 11508 1 889 . 1 1 77 77 GLN HB2 H 1 2.317 0.008 . 2 . . . A 151 GLN HB2 . 11508 1 890 . 1 1 77 77 GLN HG2 H 1 2.609 0.007 . 2 . . . A 151 GLN HG2 . 11508 1 891 . 1 1 77 77 GLN HG3 H 1 2.84 0.007 . 2 . . . A 151 GLN HG3 . 11508 1 892 . 1 1 77 77 GLN HE21 H 1 7.24 0.002 . 2 . . . A 151 GLN HE21 . 11508 1 893 . 1 1 77 77 GLN HE22 H 1 7.583 0.01 . 2 . . . A 151 GLN HE22 . 11508 1 894 . 1 1 77 77 GLN C C 13 178.734 0 . 1 . . . A 151 GLN C . 11508 1 895 . 1 1 77 77 GLN CA C 13 58.205 0.06 . 1 . . . A 151 GLN CA . 11508 1 896 . 1 1 77 77 GLN CB C 13 29.715 0.066 . 1 . . . A 151 GLN CB . 11508 1 897 . 1 1 77 77 GLN CG C 13 33.772 0.076 . 1 . . . A 151 GLN CG . 11508 1 898 . 1 1 77 77 GLN N N 15 118.781 0.043 . 1 . . . A 151 GLN N . 11508 1 899 . 1 1 77 77 GLN NE2 N 15 111.384 0.021 . 1 . . . A 151 GLN NE2 . 11508 1 900 . 1 1 78 78 LEU H H 1 6.83 0.009 . 1 . . . A 152 LEU H . 11508 1 901 . 1 1 78 78 LEU HA H 1 1.98 0.01 . 1 . . . A 152 LEU HA . 11508 1 902 . 1 1 78 78 LEU HB2 H 1 1.046 0.011 . 2 . . . A 152 LEU HB2 . 11508 1 903 . 1 1 78 78 LEU HB3 H 1 1.629 0.012 . 2 . . . A 152 LEU HB3 . 11508 1 904 . 1 1 78 78 LEU HG H 1 1.347 0.011 . 1 . . . A 152 LEU HG . 11508 1 905 . 1 1 78 78 LEU HD11 H 1 0.536 0.008 . 2 . . . A 152 LEU HD11 . 11508 1 906 . 1 1 78 78 LEU HD12 H 1 0.536 0.008 . 2 . . . A 152 LEU HD12 . 11508 1 907 . 1 1 78 78 LEU HD13 H 1 0.536 0.008 . 2 . . . A 152 LEU HD13 . 11508 1 908 . 1 1 78 78 LEU HD21 H 1 0.892 0.008 . 2 . . . A 152 LEU HD21 . 11508 1 909 . 1 1 78 78 LEU HD22 H 1 0.892 0.008 . 2 . . . A 152 LEU HD22 . 11508 1 910 . 1 1 78 78 LEU HD23 H 1 0.892 0.008 . 2 . . . A 152 LEU HD23 . 11508 1 911 . 1 1 78 78 LEU C C 13 177.437 0 . 1 . . . A 152 LEU C . 11508 1 912 . 1 1 78 78 LEU CA C 13 58.805 0.062 . 1 . . . A 152 LEU CA . 11508 1 913 . 1 1 78 78 LEU CB C 13 41.78 0.044 . 1 . . . A 152 LEU CB . 11508 1 914 . 1 1 78 78 LEU CG C 13 27.052 0.062 . 1 . . . A 152 LEU CG . 11508 1 915 . 1 1 78 78 LEU CD1 C 13 24.283 0.032 . 2 . . . A 152 LEU CD1 . 11508 1 916 . 1 1 78 78 LEU CD2 C 13 28.929 0.026 . 2 . . . A 152 LEU CD2 . 11508 1 917 . 1 1 78 78 LEU N N 15 121.953 0.027 . 1 . . . A 152 LEU N . 11508 1 918 . 1 1 79 79 VAL H H 1 8.101 0.008 . 1 . . . A 153 VAL H . 11508 1 919 . 1 1 79 79 VAL HA H 1 2.902 0.007 . 1 . . . A 153 VAL HA . 11508 1 920 . 1 1 79 79 VAL HB H 1 1.543 0.008 . 1 . . . A 153 VAL HB . 11508 1 921 . 1 1 79 79 VAL HG11 H 1 -0.403 0.005 . 2 . . . A 153 VAL HG11 . 11508 1 922 . 1 1 79 79 VAL HG12 H 1 -0.403 0.005 . 2 . . . A 153 VAL HG12 . 11508 1 923 . 1 1 79 79 VAL HG13 H 1 -0.403 0.005 . 2 . . . A 153 VAL HG13 . 11508 1 924 . 1 1 79 79 VAL HG21 H 1 0.084 0.017 . 2 . . . A 153 VAL HG21 . 11508 1 925 . 1 1 79 79 VAL HG22 H 1 0.084 0.017 . 2 . . . A 153 VAL HG22 . 11508 1 926 . 1 1 79 79 VAL HG23 H 1 0.084 0.017 . 2 . . . A 153 VAL HG23 . 11508 1 927 . 1 1 79 79 VAL C C 13 179.036 0 . 1 . . . A 153 VAL C . 11508 1 928 . 1 1 79 79 VAL CA C 13 66.877 0.037 . 1 . . . A 153 VAL CA . 11508 1 929 . 1 1 79 79 VAL CB C 13 31.504 0.035 . 1 . . . A 153 VAL CB . 11508 1 930 . 1 1 79 79 VAL CG1 C 13 22.272 0.042 . 2 . . . A 153 VAL CG1 . 11508 1 931 . 1 1 79 79 VAL CG2 C 13 20.718 0.067 . 2 . . . A 153 VAL CG2 . 11508 1 932 . 1 1 79 79 VAL N N 15 120.435 0.043 . 1 . . . A 153 VAL N . 11508 1 933 . 1 1 80 80 GLU H H 1 8.273 0.008 . 1 . . . A 154 GLU H . 11508 1 934 . 1 1 80 80 GLU HA H 1 3.849 0.01 . 1 . . . A 154 GLU HA . 11508 1 935 . 1 1 80 80 GLU HB2 H 1 2.017 0.005 . 2 . . . A 154 GLU HB2 . 11508 1 936 . 1 1 80 80 GLU HB3 H 1 2.096 0.007 . 2 . . . A 154 GLU HB3 . 11508 1 937 . 1 1 80 80 GLU HG2 H 1 2.234 0.009 . 2 . . . A 154 GLU HG2 . 11508 1 938 . 1 1 80 80 GLU HG3 H 1 2.389 0.013 . 2 . . . A 154 GLU HG3 . 11508 1 939 . 1 1 80 80 GLU C C 13 179.073 0 . 1 . . . A 154 GLU C . 11508 1 940 . 1 1 80 80 GLU CA C 13 59.949 0.022 . 1 . . . A 154 GLU CA . 11508 1 941 . 1 1 80 80 GLU CB C 13 29.255 0.055 . 1 . . . A 154 GLU CB . 11508 1 942 . 1 1 80 80 GLU CG C 13 36.252 0.168 . 1 . . . A 154 GLU CG . 11508 1 943 . 1 1 80 80 GLU N N 15 121.197 0.033 . 1 . . . A 154 GLU N . 11508 1 944 . 1 1 81 81 HIS H H 1 7.708 0.007 . 1 . . . A 155 HIS H . 11508 1 945 . 1 1 81 81 HIS HA H 1 4.132 0.008 . 1 . . . A 155 HIS HA . 11508 1 946 . 1 1 81 81 HIS HB2 H 1 3.099 0.01 . 2 . . . A 155 HIS HB2 . 11508 1 947 . 1 1 81 81 HIS HB3 H 1 3.14 0.005 . 2 . . . A 155 HIS HB3 . 11508 1 948 . 1 1 81 81 HIS HE1 H 1 8.524 0.004 . 1 . . . A 155 HIS HE1 . 11508 1 949 . 1 1 81 81 HIS C C 13 176.892 0 . 1 . . . A 155 HIS C . 11508 1 950 . 1 1 81 81 HIS CA C 13 59.899 0.063 . 1 . . . A 155 HIS CA . 11508 1 951 . 1 1 81 81 HIS CB C 13 28.981 0.031 . 1 . . . A 155 HIS CB . 11508 1 952 . 1 1 81 81 HIS CE1 C 13 137.211 0.007 . 1 . . . A 155 HIS CE1 . 11508 1 953 . 1 1 81 81 HIS N N 15 118.183 0.076 . 1 . . . A 155 HIS N . 11508 1 954 . 1 1 82 82 TYR H H 1 7.448 0.006 . 1 . . . A 156 TYR H . 11508 1 955 . 1 1 82 82 TYR HA H 1 4.945 0.012 . 1 . . . A 156 TYR HA . 11508 1 956 . 1 1 82 82 TYR HB2 H 1 2.122 0.009 . 2 . . . A 156 TYR HB2 . 11508 1 957 . 1 1 82 82 TYR HB3 H 1 3.059 0.013 . 2 . . . A 156 TYR HB3 . 11508 1 958 . 1 1 82 82 TYR HD1 H 1 7.225 0.008 . 3 . . . A 156 TYR HD1 . 11508 1 959 . 1 1 82 82 TYR HE1 H 1 6.774 0.007 . 3 . . . A 156 TYR HE1 . 11508 1 960 . 1 1 82 82 TYR C C 13 175.876 0 . 1 . . . A 156 TYR C . 11508 1 961 . 1 1 82 82 TYR CA C 13 59.977 0.036 . 1 . . . A 156 TYR CA . 11508 1 962 . 1 1 82 82 TYR CB C 13 37.819 0.017 . 1 . . . A 156 TYR CB . 11508 1 963 . 1 1 82 82 TYR CD1 C 13 134.611 0.029 . 3 . . . A 156 TYR CD1 . 11508 1 964 . 1 1 82 82 TYR N N 15 115.595 0.039 . 1 . . . A 156 TYR N . 11508 1 965 . 1 1 83 83 THR H H 1 7.619 0.009 . 1 . . . A 157 THR H . 11508 1 966 . 1 1 83 83 THR HA H 1 4.661 0.007 . 1 . . . A 157 THR HA . 11508 1 967 . 1 1 83 83 THR HB H 1 4.194 0.007 . 1 . . . A 157 THR HB . 11508 1 968 . 1 1 83 83 THR HG21 H 1 1.167 0.004 . 1 . . . A 157 THR HG21 . 11508 1 969 . 1 1 83 83 THR HG22 H 1 1.167 0.004 . 1 . . . A 157 THR HG22 . 11508 1 970 . 1 1 83 83 THR HG23 H 1 1.167 0.004 . 1 . . . A 157 THR HG23 . 11508 1 971 . 1 1 83 83 THR C C 13 175.562 0 . 1 . . . A 157 THR C . 11508 1 972 . 1 1 83 83 THR CA C 13 64.618 0.058 . 1 . . . A 157 THR CA . 11508 1 973 . 1 1 83 83 THR CB C 13 69.282 0.054 . 1 . . . A 157 THR CB . 11508 1 974 . 1 1 83 83 THR CG2 C 13 20.488 0.077 . 1 . . . A 157 THR CG2 . 11508 1 975 . 1 1 83 83 THR N N 15 116.251 0.031 . 1 . . . A 157 THR N . 11508 1 976 . 1 1 84 84 THR H H 1 7.137 0.004 . 1 . . . A 158 THR H . 11508 1 977 . 1 1 84 84 THR HA H 1 3.992 0.01 . 1 . . . A 158 THR HA . 11508 1 978 . 1 1 84 84 THR HB H 1 4.122 0.007 . 1 . . . A 158 THR HB . 11508 1 979 . 1 1 84 84 THR HG21 H 1 1.148 0.007 . 1 . . . A 158 THR HG21 . 11508 1 980 . 1 1 84 84 THR HG22 H 1 1.148 0.007 . 1 . . . A 158 THR HG22 . 11508 1 981 . 1 1 84 84 THR HG23 H 1 1.148 0.007 . 1 . . . A 158 THR HG23 . 11508 1 982 . 1 1 84 84 THR C C 13 174.148 0 . 1 . . . A 158 THR C . 11508 1 983 . 1 1 84 84 THR CA C 13 64.74 0.051 . 1 . . . A 158 THR CA . 11508 1 984 . 1 1 84 84 THR CB C 13 69.126 0.061 . 1 . . . A 158 THR CB . 11508 1 985 . 1 1 84 84 THR CG2 C 13 21.678 0.094 . 1 . . . A 158 THR CG2 . 11508 1 986 . 1 1 84 84 THR N N 15 115.949 0.045 . 1 . . . A 158 THR N . 11508 1 987 . 1 1 85 85 ASP H H 1 7.392 0.008 . 1 . . . A 159 ASP H . 11508 1 988 . 1 1 85 85 ASP HA H 1 4.428 0.008 . 1 . . . A 159 ASP HA . 11508 1 989 . 1 1 85 85 ASP HB2 H 1 2.176 0.011 . 2 . . . A 159 ASP HB2 . 11508 1 990 . 1 1 85 85 ASP HB3 H 1 2.259 0.005 . 2 . . . A 159 ASP HB3 . 11508 1 991 . 1 1 85 85 ASP C C 13 172.421 0 . 1 . . . A 159 ASP C . 11508 1 992 . 1 1 85 85 ASP CA C 13 53.216 0.075 . 1 . . . A 159 ASP CA . 11508 1 993 . 1 1 85 85 ASP CB C 13 44.564 0.094 . 1 . . . A 159 ASP CB . 11508 1 994 . 1 1 85 85 ASP N N 15 120.205 0.058 . 1 . . . A 159 ASP N . 11508 1 995 . 1 1 86 86 ALA H H 1 8.343 0.003 . 1 . . . A 160 ALA H . 11508 1 996 . 1 1 86 86 ALA HA H 1 3.742 0.007 . 1 . . . A 160 ALA HA . 11508 1 997 . 1 1 86 86 ALA HB1 H 1 1.21 0.004 . 1 . . . A 160 ALA HB1 . 11508 1 998 . 1 1 86 86 ALA HB2 H 1 1.21 0.004 . 1 . . . A 160 ALA HB2 . 11508 1 999 . 1 1 86 86 ALA HB3 H 1 1.21 0.004 . 1 . . . A 160 ALA HB3 . 11508 1 1000 . 1 1 86 86 ALA C C 13 178.533 0 . 1 . . . A 160 ALA C . 11508 1 1001 . 1 1 86 86 ALA CA C 13 55.451 0.04 . 1 . . . A 160 ALA CA . 11508 1 1002 . 1 1 86 86 ALA CB C 13 18.305 0.076 . 1 . . . A 160 ALA CB . 11508 1 1003 . 1 1 86 86 ALA N N 15 124.511 0.037 . 1 . . . A 160 ALA N . 11508 1 1004 . 1 1 87 87 ASP H H 1 8.081 0.003 . 1 . . . A 161 ASP H . 11508 1 1005 . 1 1 87 87 ASP HA H 1 4.164 0.006 . 1 . . . A 161 ASP HA . 11508 1 1006 . 1 1 87 87 ASP HB2 H 1 1.973 0.01 . 2 . . . A 161 ASP HB2 . 11508 1 1007 . 1 1 87 87 ASP HB3 H 1 3.163 0.009 . 2 . . . A 161 ASP HB3 . 11508 1 1008 . 1 1 87 87 ASP C C 13 174.523 0 . 1 . . . A 161 ASP C . 11508 1 1009 . 1 1 87 87 ASP CA C 13 54.137 0.05 . 1 . . . A 161 ASP CA . 11508 1 1010 . 1 1 87 87 ASP CB C 13 40.248 0.049 . 1 . . . A 161 ASP CB . 11508 1 1011 . 1 1 87 87 ASP N N 15 110.978 0.028 . 1 . . . A 161 ASP N . 11508 1 1012 . 1 1 88 88 GLY H H 1 8.336 0.009 . 1 . . . A 162 GLY H . 11508 1 1013 . 1 1 88 88 GLY HA2 H 1 3.614 0.009 . 2 . . . A 162 GLY HA2 . 11508 1 1014 . 1 1 88 88 GLY HA3 H 1 4.344 0.01 . 2 . . . A 162 GLY HA3 . 11508 1 1015 . 1 1 88 88 GLY C C 13 176.158 0 . 1 . . . A 162 GLY C . 11508 1 1016 . 1 1 88 88 GLY CA C 13 44.808 0.064 . 1 . . . A 162 GLY CA . 11508 1 1017 . 1 1 88 88 GLY N N 15 102.658 0.026 . 1 . . . A 162 GLY N . 11508 1 1018 . 1 1 89 89 LEU H H 1 8.279 0.006 . 1 . . . A 163 LEU H . 11508 1 1019 . 1 1 89 89 LEU HA H 1 4.05 0.008 . 1 . . . A 163 LEU HA . 11508 1 1020 . 1 1 89 89 LEU HB2 H 1 1.943 0.008 . 2 . . . A 163 LEU HB2 . 11508 1 1021 . 1 1 89 89 LEU HB3 H 1 0.915 0.008 . 2 . . . A 163 LEU HB3 . 11508 1 1022 . 1 1 89 89 LEU HG H 1 1.635 0.011 . 1 . . . A 163 LEU HG . 11508 1 1023 . 1 1 89 89 LEU HD11 H 1 -0.605 0.007 . 2 . . . A 163 LEU HD11 . 11508 1 1024 . 1 1 89 89 LEU HD12 H 1 -0.605 0.007 . 2 . . . A 163 LEU HD12 . 11508 1 1025 . 1 1 89 89 LEU HD13 H 1 -0.605 0.007 . 2 . . . A 163 LEU HD13 . 11508 1 1026 . 1 1 89 89 LEU HD21 H 1 -0.111 0.013 . 2 . . . A 163 LEU HD21 . 11508 1 1027 . 1 1 89 89 LEU HD22 H 1 -0.111 0.013 . 2 . . . A 163 LEU HD22 . 11508 1 1028 . 1 1 89 89 LEU HD23 H 1 -0.111 0.013 . 2 . . . A 163 LEU HD23 . 11508 1 1029 . 1 1 89 89 LEU C C 13 177.515 0 . 1 . . . A 163 LEU C . 11508 1 1030 . 1 1 89 89 LEU CA C 13 54.428 0.049 . 1 . . . A 163 LEU CA . 11508 1 1031 . 1 1 89 89 LEU CB C 13 42.303 0.018 . 1 . . . A 163 LEU CB . 11508 1 1032 . 1 1 89 89 LEU CG C 13 25.355 0.208 . 1 . . . A 163 LEU CG . 11508 1 1033 . 1 1 89 89 LEU CD1 C 13 19.058 0.034 . 2 . . . A 163 LEU CD1 . 11508 1 1034 . 1 1 89 89 LEU CD2 C 13 25.82 0.042 . 2 . . . A 163 LEU CD2 . 11508 1 1035 . 1 1 89 89 LEU N N 15 119.615 0.024 . 1 . . . A 163 LEU N . 11508 1 1036 . 1 1 90 90 CYS H H 1 7.695 0.004 . 1 . . . A 164 CYS H . 11508 1 1037 . 1 1 90 90 CYS HA H 1 4.308 0.01 . 1 . . . A 164 CYS HA . 11508 1 1038 . 1 1 90 90 CYS HB2 H 1 3.243 0.021 . 2 . . . A 164 CYS HB2 . 11508 1 1039 . 1 1 90 90 CYS HB3 H 1 3.357 0.008 . 2 . . . A 164 CYS HB3 . 11508 1 1040 . 1 1 90 90 CYS C C 13 172.956 0 . 1 . . . A 164 CYS C . 11508 1 1041 . 1 1 90 90 CYS CA C 13 58.139 0.025 . 1 . . . A 164 CYS CA . 11508 1 1042 . 1 1 90 90 CYS CB C 13 41.395 0.016 . 1 . . . A 164 CYS CB . 11508 1 1043 . 1 1 90 90 CYS N N 15 114.661 0.029 . 1 . . . A 164 CYS N . 11508 1 1044 . 1 1 91 91 THR H H 1 7.213 0.003 . 1 . . . A 165 THR H . 11508 1 1045 . 1 1 91 91 THR HA H 1 4.36 0.007 . 1 . . . A 165 THR HA . 11508 1 1046 . 1 1 91 91 THR HB H 1 4.25 0.007 . 1 . . . A 165 THR HB . 11508 1 1047 . 1 1 91 91 THR HG21 H 1 1.078 0.008 . 1 . . . A 165 THR HG21 . 11508 1 1048 . 1 1 91 91 THR HG22 H 1 1.078 0.008 . 1 . . . A 165 THR HG22 . 11508 1 1049 . 1 1 91 91 THR HG23 H 1 1.078 0.008 . 1 . . . A 165 THR HG23 . 11508 1 1050 . 1 1 91 91 THR C C 13 170.41 0 . 1 . . . A 165 THR C . 11508 1 1051 . 1 1 91 91 THR CA C 13 59.768 0.046 . 1 . . . A 165 THR CA . 11508 1 1052 . 1 1 91 91 THR CB C 13 68.112 0.092 . 1 . . . A 165 THR CB . 11508 1 1053 . 1 1 91 91 THR CG2 C 13 20.589 0.059 . 1 . . . A 165 THR CG2 . 11508 1 1054 . 1 1 91 91 THR N N 15 113.726 0.053 . 1 . . . A 165 THR N . 11508 1 1055 . 1 1 92 92 ARG H H 1 7.516 0.007 . 1 . . . A 166 ARG H . 11508 1 1056 . 1 1 92 92 ARG HA H 1 4.325 0.009 . 1 . . . A 166 ARG HA . 11508 1 1057 . 1 1 92 92 ARG HB2 H 1 1.5 0.019 . 2 . . . A 166 ARG HB2 . 11508 1 1058 . 1 1 92 92 ARG HB3 H 1 1.678 0.006 . 2 . . . A 166 ARG HB3 . 11508 1 1059 . 1 1 92 92 ARG HG2 H 1 1.267 0.012 . 2 . . . A 166 ARG HG2 . 11508 1 1060 . 1 1 92 92 ARG HG3 H 1 1.421 0.007 . 2 . . . A 166 ARG HG3 . 11508 1 1061 . 1 1 92 92 ARG HD2 H 1 2.963 0.015 . 2 . . . A 166 ARG HD2 . 11508 1 1062 . 1 1 92 92 ARG HD3 H 1 3.152 0.008 . 2 . . . A 166 ARG HD3 . 11508 1 1063 . 1 1 92 92 ARG HE H 1 7.095 0.003 . 1 . . . A 166 ARG HE . 11508 1 1064 . 1 1 92 92 ARG C C 13 176.126 0 . 1 . . . A 166 ARG C . 11508 1 1065 . 1 1 92 92 ARG CA C 13 56.199 0.051 . 1 . . . A 166 ARG CA . 11508 1 1066 . 1 1 92 92 ARG CB C 13 30.503 0.053 . 1 . . . A 166 ARG CB . 11508 1 1067 . 1 1 92 92 ARG CG C 13 27.223 0.075 . 1 . . . A 166 ARG CG . 11508 1 1068 . 1 1 92 92 ARG CD C 13 43.364 0.105 . 1 . . . A 166 ARG CD . 11508 1 1069 . 1 1 92 92 ARG N N 15 121.049 0.041 . 1 . . . A 166 ARG N . 11508 1 1070 . 1 1 92 92 ARG NE N 15 84.318 0.013 . 1 . . . A 166 ARG NE . 11508 1 1071 . 1 1 93 93 LEU H H 1 8.132 0.008 . 1 . . . A 167 LEU H . 11508 1 1072 . 1 1 93 93 LEU HA H 1 3.757 0.007 . 1 . . . A 167 LEU HA . 11508 1 1073 . 1 1 93 93 LEU HB2 H 1 1.131 0.016 . 2 . . . A 167 LEU HB2 . 11508 1 1074 . 1 1 93 93 LEU HB3 H 1 0.104 0.009 . 2 . . . A 167 LEU HB3 . 11508 1 1075 . 1 1 93 93 LEU HG H 1 1.068 0.01 . 1 . . . A 167 LEU HG . 11508 1 1076 . 1 1 93 93 LEU HD11 H 1 -0.199 0.011 . 2 . . . A 167 LEU HD11 . 11508 1 1077 . 1 1 93 93 LEU HD12 H 1 -0.199 0.011 . 2 . . . A 167 LEU HD12 . 11508 1 1078 . 1 1 93 93 LEU HD13 H 1 -0.199 0.011 . 2 . . . A 167 LEU HD13 . 11508 1 1079 . 1 1 93 93 LEU HD21 H 1 0.124 0.006 . 2 . . . A 167 LEU HD21 . 11508 1 1080 . 1 1 93 93 LEU HD22 H 1 0.124 0.006 . 2 . . . A 167 LEU HD22 . 11508 1 1081 . 1 1 93 93 LEU HD23 H 1 0.124 0.006 . 2 . . . A 167 LEU HD23 . 11508 1 1082 . 1 1 93 93 LEU C C 13 175.822 0 . 1 . . . A 167 LEU C . 11508 1 1083 . 1 1 93 93 LEU CA C 13 54.906 0.085 . 1 . . . A 167 LEU CA . 11508 1 1084 . 1 1 93 93 LEU CB C 13 38.036 0.036 . 1 . . . A 167 LEU CB . 11508 1 1085 . 1 1 93 93 LEU CG C 13 25.213 0.05 . 1 . . . A 167 LEU CG . 11508 1 1086 . 1 1 93 93 LEU CD1 C 13 25.21 0.045 . 2 . . . A 167 LEU CD1 . 11508 1 1087 . 1 1 93 93 LEU CD2 C 13 20.881 0.024 . 2 . . . A 167 LEU CD2 . 11508 1 1088 . 1 1 93 93 LEU N N 15 122.103 0.103 . 1 . . . A 167 LEU N . 11508 1 1089 . 1 1 94 94 ILE H H 1 8.382 0.007 . 1 . . . A 168 ILE H . 11508 1 1090 . 1 1 94 94 ILE HA H 1 4.202 0.006 . 1 . . . A 168 ILE HA . 11508 1 1091 . 1 1 94 94 ILE HB H 1 1.652 0.006 . 1 . . . A 168 ILE HB . 11508 1 1092 . 1 1 94 94 ILE HG12 H 1 1.558 0.015 . 2 . . . A 168 ILE HG12 . 11508 1 1093 . 1 1 94 94 ILE HG13 H 1 1.704 0.011 . 2 . . . A 168 ILE HG13 . 11508 1 1094 . 1 1 94 94 ILE HG21 H 1 0.903 0.008 . 1 . . . A 168 ILE HG21 . 11508 1 1095 . 1 1 94 94 ILE HG22 H 1 0.903 0.008 . 1 . . . A 168 ILE HG22 . 11508 1 1096 . 1 1 94 94 ILE HG23 H 1 0.903 0.008 . 1 . . . A 168 ILE HG23 . 11508 1 1097 . 1 1 94 94 ILE HD11 H 1 0.792 0.009 . 1 . . . A 168 ILE HD11 . 11508 1 1098 . 1 1 94 94 ILE HD12 H 1 0.792 0.009 . 1 . . . A 168 ILE HD12 . 11508 1 1099 . 1 1 94 94 ILE HD13 H 1 0.792 0.009 . 1 . . . A 168 ILE HD13 . 11508 1 1100 . 1 1 94 94 ILE C C 13 176.327 0 . 1 . . . A 168 ILE C . 11508 1 1101 . 1 1 94 94 ILE CA C 13 62.789 0.046 . 1 . . . A 168 ILE CA . 11508 1 1102 . 1 1 94 94 ILE CB C 13 40.396 0.028 . 1 . . . A 168 ILE CB . 11508 1 1103 . 1 1 94 94 ILE CG1 C 13 27.752 0.044 . 1 . . . A 168 ILE CG1 . 11508 1 1104 . 1 1 94 94 ILE CG2 C 13 17.459 0.024 . 1 . . . A 168 ILE CG2 . 11508 1 1105 . 1 1 94 94 ILE CD1 C 13 12.176 0.028 . 1 . . . A 168 ILE CD1 . 11508 1 1106 . 1 1 94 94 ILE N N 15 121.408 0.043 . 1 . . . A 168 ILE N . 11508 1 1107 . 1 1 95 95 LYS H H 1 7.846 0.006 . 1 . . . A 169 LYS H . 11508 1 1108 . 1 1 95 95 LYS HA H 1 5.015 0.008 . 1 . . . A 169 LYS HA . 11508 1 1109 . 1 1 95 95 LYS HB2 H 1 1.604 0.009 . 2 . . . A 169 LYS HB2 . 11508 1 1110 . 1 1 95 95 LYS HB3 H 1 1.678 0.005 . 2 . . . A 169 LYS HB3 . 11508 1 1111 . 1 1 95 95 LYS HG2 H 1 1.217 0.007 . 2 . . . A 169 LYS HG2 . 11508 1 1112 . 1 1 95 95 LYS HG3 H 1 1.368 0.01 . 2 . . . A 169 LYS HG3 . 11508 1 1113 . 1 1 95 95 LYS HD2 H 1 1.597 0.006 . 2 . . . A 169 LYS HD2 . 11508 1 1114 . 1 1 95 95 LYS HE2 H 1 2.879 0.015 . 2 . . . A 169 LYS HE2 . 11508 1 1115 . 1 1 95 95 LYS CA C 13 52.597 0.073 . 1 . . . A 169 LYS CA . 11508 1 1116 . 1 1 95 95 LYS CB C 13 35.961 0.049 . 1 . . . A 169 LYS CB . 11508 1 1117 . 1 1 95 95 LYS CG C 13 24.139 0.114 . 1 . . . A 169 LYS CG . 11508 1 1118 . 1 1 95 95 LYS CD C 13 29.557 0.115 . 1 . . . A 169 LYS CD . 11508 1 1119 . 1 1 95 95 LYS CE C 13 41.642 0.09 . 1 . . . A 169 LYS CE . 11508 1 1120 . 1 1 95 95 LYS N N 15 121.527 0.035 . 1 . . . A 169 LYS N . 11508 1 1121 . 1 1 96 96 PRO HA H 1 3.425 0.01 . 1 . . . A 170 PRO HA . 11508 1 1122 . 1 1 96 96 PRO HB2 H 1 1.573 0.006 . 2 . . . A 170 PRO HB2 . 11508 1 1123 . 1 1 96 96 PRO HB3 H 1 1.87 0.011 . 2 . . . A 170 PRO HB3 . 11508 1 1124 . 1 1 96 96 PRO HG2 H 1 2.179 0.005 . 2 . . . A 170 PRO HG2 . 11508 1 1125 . 1 1 96 96 PRO HG3 H 1 2.154 0.004 . 2 . . . A 170 PRO HG3 . 11508 1 1126 . 1 1 96 96 PRO HD2 H 1 3.806 0.015 . 2 . . . A 170 PRO HD2 . 11508 1 1127 . 1 1 96 96 PRO HD3 H 1 3.882 0.013 . 2 . . . A 170 PRO HD3 . 11508 1 1128 . 1 1 96 96 PRO C C 13 176.262 0 . 1 . . . A 170 PRO C . 11508 1 1129 . 1 1 96 96 PRO CA C 13 61.368 0.059 . 1 . . . A 170 PRO CA . 11508 1 1130 . 1 1 96 96 PRO CB C 13 32.772 0.003 . 1 . . . A 170 PRO CB . 11508 1 1131 . 1 1 96 96 PRO CG C 13 26.434 0.028 . 1 . . . A 170 PRO CG . 11508 1 1132 . 1 1 96 96 PRO CD C 13 50.661 0.083 . 1 . . . A 170 PRO CD . 11508 1 1133 . 1 1 97 97 LYS H H 1 8.881 0.005 . 1 . . . A 171 LYS H . 11508 1 1134 . 1 1 97 97 LYS HA H 1 4.578 0.01 . 1 . . . A 171 LYS HA . 11508 1 1135 . 1 1 97 97 LYS HB2 H 1 1.143 0.01 . 2 . . . A 171 LYS HB2 . 11508 1 1136 . 1 1 97 97 LYS HB3 H 1 1.904 0.014 . 2 . . . A 171 LYS HB3 . 11508 1 1137 . 1 1 97 97 LYS HG2 H 1 1.06 0.008 . 2 . . . A 171 LYS HG2 . 11508 1 1138 . 1 1 97 97 LYS HG3 H 1 1.336 0.01 . 2 . . . A 171 LYS HG3 . 11508 1 1139 . 1 1 97 97 LYS HD2 H 1 1.852 0.008 . 2 . . . A 171 LYS HD2 . 11508 1 1140 . 1 1 97 97 LYS HD3 H 1 1.663 0.005 . 2 . . . A 171 LYS HD3 . 11508 1 1141 . 1 1 97 97 LYS HE2 H 1 3.192 0.012 . 2 . . . A 171 LYS HE2 . 11508 1 1142 . 1 1 97 97 LYS HE3 H 1 3.063 0.012 . 2 . . . A 171 LYS HE3 . 11508 1 1143 . 1 1 97 97 LYS C C 13 175.182 0 . 1 . . . A 171 LYS C . 11508 1 1144 . 1 1 97 97 LYS CA C 13 53.654 0.07 . 1 . . . A 171 LYS CA . 11508 1 1145 . 1 1 97 97 LYS CB C 13 30.897 0.053 . 1 . . . A 171 LYS CB . 11508 1 1146 . 1 1 97 97 LYS CG C 13 24.704 0.033 . 1 . . . A 171 LYS CG . 11508 1 1147 . 1 1 97 97 LYS CD C 13 28.147 0.082 . 1 . . . A 171 LYS CD . 11508 1 1148 . 1 1 97 97 LYS CE C 13 42.403 0.037 . 1 . . . A 171 LYS CE . 11508 1 1149 . 1 1 97 97 LYS N N 15 125.349 0.038 . 1 . . . A 171 LYS N . 11508 1 1150 . 1 1 98 98 VAL H H 1 8.046 0.007 . 1 . . . A 172 VAL H . 11508 1 1151 . 1 1 98 98 VAL HA H 1 4.33 0.005 . 1 . . . A 172 VAL HA . 11508 1 1152 . 1 1 98 98 VAL HB H 1 2.164 0.006 . 1 . . . A 172 VAL HB . 11508 1 1153 . 1 1 98 98 VAL HG11 H 1 0.881 0.003 . 2 . . . A 172 VAL HG11 . 11508 1 1154 . 1 1 98 98 VAL HG12 H 1 0.881 0.003 . 2 . . . A 172 VAL HG12 . 11508 1 1155 . 1 1 98 98 VAL HG13 H 1 0.881 0.003 . 2 . . . A 172 VAL HG13 . 11508 1 1156 . 1 1 98 98 VAL HG21 H 1 0.872 0.007 . 2 . . . A 172 VAL HG21 . 11508 1 1157 . 1 1 98 98 VAL HG22 H 1 0.872 0.007 . 2 . . . A 172 VAL HG22 . 11508 1 1158 . 1 1 98 98 VAL HG23 H 1 0.872 0.007 . 2 . . . A 172 VAL HG23 . 11508 1 1159 . 1 1 98 98 VAL C C 13 175.754 0 . 1 . . . A 172 VAL C . 11508 1 1160 . 1 1 98 98 VAL CA C 13 61.462 0.025 . 1 . . . A 172 VAL CA . 11508 1 1161 . 1 1 98 98 VAL CB C 13 32.856 0.032 . 1 . . . A 172 VAL CB . 11508 1 1162 . 1 1 98 98 VAL CG1 C 13 19.205 0.051 . 2 . . . A 172 VAL CG1 . 11508 1 1163 . 1 1 98 98 VAL CG2 C 13 21.826 0.066 . 2 . . . A 172 VAL CG2 . 11508 1 1164 . 1 1 98 98 VAL N N 15 124.806 0.035 . 1 . . . A 172 VAL N . 11508 1 1165 . 1 1 99 99 MET H H 1 7.874 0.006 . 1 . . . A 173 MET H . 11508 1 1166 . 1 1 99 99 MET HA H 1 3.883 0.013 . 1 . . . A 173 MET HA . 11508 1 1167 . 1 1 99 99 MET HB2 H 1 1.424 0.016 . 2 . . . A 173 MET HB2 . 11508 1 1168 . 1 1 99 99 MET HB3 H 1 1.753 0.014 . 2 . . . A 173 MET HB3 . 11508 1 1169 . 1 1 99 99 MET HG2 H 1 2.06 0.007 . 2 . . . A 173 MET HG2 . 11508 1 1170 . 1 1 99 99 MET HG3 H 1 2.13 0.013 . 2 . . . A 173 MET HG3 . 11508 1 1171 . 1 1 99 99 MET CA C 13 58.154 0.082 . 1 . . . A 173 MET CA . 11508 1 1172 . 1 1 99 99 MET CB C 13 33.245 0.053 . 1 . . . A 173 MET CB . 11508 1 1173 . 1 1 99 99 MET CG C 13 32.027 0.005 . 1 . . . A 173 MET CG . 11508 1 1174 . 1 1 99 99 MET N N 15 127.655 0.016 . 1 . . . A 173 MET N . 11508 1 1175 . 2 2 2 2 PRO HA H 1 4.481 0.006 . 1 . . . . 2 PRO HA . 11508 1 1176 . 2 2 2 2 PRO HB2 H 1 1.953 0.003 . 2 . . . . 2 PRO HB2 . 11508 1 1177 . 2 2 2 2 PRO HB3 H 1 2.32 0.004 . 2 . . . . 2 PRO HB3 . 11508 1 1178 . 2 2 2 2 PRO HG2 H 1 2.012 0.005 . 2 . . . . 2 PRO HG2 . 11508 1 1179 . 2 2 2 2 PRO HD2 H 1 3.573 0.006 . 2 . . . . 2 PRO HD2 . 11508 1 1180 . 2 2 2 2 PRO HD3 H 1 3.619 0.012 . 2 . . . . 2 PRO HD3 . 11508 1 1181 . 2 2 2 2 PRO C C 13 177.061 0 . 1 . . . . 2 PRO C . 11508 1 1182 . 2 2 2 2 PRO CA C 13 63.164 0.051 . 1 . . . . 2 PRO CA . 11508 1 1183 . 2 2 2 2 PRO CB C 13 32.352 0.021 . 1 . . . . 2 PRO CB . 11508 1 1184 . 2 2 2 2 PRO CG C 13 27.107 0.031 . 1 . . . . 2 PRO CG . 11508 1 1185 . 2 2 2 2 PRO CD C 13 49.735 0.093 . 1 . . . . 2 PRO CD . 11508 1 1186 . 2 2 3 3 LEU H H 1 8.579 0.007 . 1 . . . . 3 LEU H . 11508 1 1187 . 2 2 3 3 LEU HA H 1 4.352 0.007 . 1 . . . . 3 LEU HA . 11508 1 1188 . 2 2 3 3 LEU HB2 H 1 1.607 0.006 . 2 . . . . 3 LEU HB2 . 11508 1 1189 . 2 2 3 3 LEU HB3 H 1 1.684 0.006 . 2 . . . . 3 LEU HB3 . 11508 1 1190 . 2 2 3 3 LEU HG H 1 1.632 0.014 . 1 . . . . 3 LEU HG . 11508 1 1191 . 2 2 3 3 LEU HD11 H 1 0.898 0.012 . 2 . . . . 3 LEU MD1 . 11508 1 1192 . 2 2 3 3 LEU HD12 H 1 0.898 0.012 . 2 . . . . 3 LEU MD1 . 11508 1 1193 . 2 2 3 3 LEU HD13 H 1 0.898 0.012 . 2 . . . . 3 LEU MD1 . 11508 1 1194 . 2 2 3 3 LEU HD21 H 1 0.942 0.016 . 2 . . . . 3 LEU MD2 . 11508 1 1195 . 2 2 3 3 LEU HD22 H 1 0.942 0.016 . 2 . . . . 3 LEU MD2 . 11508 1 1196 . 2 2 3 3 LEU HD23 H 1 0.942 0.016 . 2 . . . . 3 LEU MD2 . 11508 1 1197 . 2 2 3 3 LEU C C 13 178.048 0 . 1 . . . . 3 LEU C . 11508 1 1198 . 2 2 3 3 LEU CA C 13 55.509 0.039 . 1 . . . . 3 LEU CA . 11508 1 1199 . 2 2 3 3 LEU CB C 13 42.324 0.016 . 1 . . . . 3 LEU CB . 11508 1 1200 . 2 2 3 3 LEU CG C 13 27.051 0.033 . 1 . . . . 3 LEU CG . 11508 1 1201 . 2 2 3 3 LEU CD1 C 13 23.599 0.015 . 2 . . . . 3 LEU CD1 . 11508 1 1202 . 2 2 3 3 LEU CD2 C 13 24.808 0.025 . 2 . . . . 3 LEU CD2 . 11508 1 1203 . 2 2 3 3 LEU N N 15 122.584 0.03 . 1 . . . . 3 LEU N . 11508 1 1204 . 2 2 4 4 GLY H H 1 8.461 0.01 . 1 . . . . 4 GLY H . 11508 1 1205 . 2 2 4 4 GLY HA2 H 1 3.979 0.007 . 2 . . . . 4 GLY HA2 . 11508 1 1206 . 2 2 4 4 GLY HA3 H 1 3.997 0.001 . 2 . . . . 4 GLY HA3 . 11508 1 1207 . 2 2 4 4 GLY C C 13 174.29 0 . 1 . . . . 4 GLY C . 11508 1 1208 . 2 2 4 4 GLY CA C 13 45.381 0.051 . 1 . . . . 4 GLY CA . 11508 1 1209 . 2 2 4 4 GLY N N 15 109.899 0.028 . 1 . . . . 4 GLY N . 11508 1 1210 . 2 2 5 5 SER H H 1 8.225 0.003 . 1 . . . . 5 SER H . 11508 1 1211 . 2 2 5 5 SER HA H 1 4.431 0.007 . 1 . . . . 5 SER HA . 11508 1 1212 . 2 2 5 5 SER HB2 H 1 3.862 0.007 . 2 . . . . 5 SER HB2 . 11508 1 1213 . 2 2 5 5 SER HB3 H 1 3.89 0.003 . 2 . . . . 5 SER HB3 . 11508 1 1214 . 2 2 5 5 SER C C 13 174.618 0 . 1 . . . . 5 SER C . 11508 1 1215 . 2 2 5 5 SER CA C 13 58.393 0.038 . 1 . . . . 5 SER CA . 11508 1 1216 . 2 2 5 5 SER CB C 13 63.985 0.02 . 1 . . . . 5 SER CB . 11508 1 1217 . 2 2 5 5 SER N N 15 115.741 0.034 . 1 . . . . 5 SER N . 11508 1 1218 . 2 2 6 6 LYS H H 1 8.341 0.007 . 1 . . . . 6 LYS H . 11508 1 1219 . 2 2 6 6 LYS HA H 1 4.295 0.008 . 1 . . . . 6 LYS HA . 11508 1 1220 . 2 2 6 6 LYS HB2 H 1 1.709 0.009 . 2 . . . . 6 LYS HB2 . 11508 1 1221 . 2 2 6 6 LYS HB3 H 1 1.777 0.003 . 2 . . . . 6 LYS HB3 . 11508 1 1222 . 2 2 6 6 LYS HG2 H 1 1.308 0.014 . 2 . . . . 6 LYS HG2 . 11508 1 1223 . 2 2 6 6 LYS HG3 H 1 1.429 0.007 . 2 . . . . 6 LYS HG3 . 11508 1 1224 . 2 2 6 6 LYS HD2 H 1 1.656 0.01 . 2 . . . . 6 LYS HD2 . 11508 1 1225 . 2 2 6 6 LYS HD3 H 1 1.727 0.012 . 2 . . . . 6 LYS HD3 . 11508 1 1226 . 2 2 6 6 LYS HE2 H 1 2.97 0.003 . 2 . . . . 6 LYS HE2 . 11508 1 1227 . 2 2 6 6 LYS HE3 H 1 3.01 0.018 . 2 . . . . 6 LYS HE3 . 11508 1 1228 . 2 2 6 6 LYS C C 13 176.264 0 . 1 . . . . 6 LYS C . 11508 1 1229 . 2 2 6 6 LYS CA C 13 56.273 0.059 . 1 . . . . 6 LYS CA . 11508 1 1230 . 2 2 6 6 LYS CB C 13 32.913 0.015 . 1 . . . . 6 LYS CB . 11508 1 1231 . 2 2 6 6 LYS CG C 13 25.393 0.012 . 1 . . . . 6 LYS CG . 11508 1 1232 . 2 2 6 6 LYS CD C 13 29.143 0.04 . 1 . . . . 6 LYS CD . 11508 1 1233 . 2 2 6 6 LYS CE C 13 42.177 0.012 . 1 . . . . 6 LYS CE . 11508 1 1234 . 2 2 6 6 LYS N N 15 123.207 0.026 . 1 . . . . 6 LYS N . 11508 1 1235 . 2 2 7 7 ARG H H 1 8.255 0.008 . 1 . . . . 7 ARG H . 11508 1 1236 . 2 2 7 7 ARG HA H 1 4.222 0.006 . 1 . . . . 7 ARG HA . 11508 1 1237 . 2 2 7 7 ARG HB2 H 1 1.613 0.009 . 2 . . . . 7 ARG HB2 . 11508 1 1238 . 2 2 7 7 ARG HB3 H 1 1.632 0.012 . 2 . . . . 7 ARG HB3 . 11508 1 1239 . 2 2 7 7 ARG HG2 H 1 1.394 0.011 . 2 . . . . 7 ARG HG2 . 11508 1 1240 . 2 2 7 7 ARG HG3 H 1 1.446 0.006 . 2 . . . . 7 ARG HG3 . 11508 1 1241 . 2 2 7 7 ARG HD2 H 1 3.075 0.004 . 2 . . . . 7 ARG HD2 . 11508 1 1242 . 2 2 7 7 ARG HD3 H 1 3.1 0.011 . 2 . . . . 7 ARG HD3 . 11508 1 1243 . 2 2 7 7 ARG HE H 1 7.201 0.001 . 1 . . . . 7 ARG HE . 11508 1 1244 . 2 2 7 7 ARG C C 13 175.938 0 . 1 . . . . 7 ARG C . 11508 1 1245 . 2 2 7 7 ARG CA C 13 56.297 0.033 . 1 . . . . 7 ARG CA . 11508 1 1246 . 2 2 7 7 ARG CB C 13 30.939 0.02 . 1 . . . . 7 ARG CB . 11508 1 1247 . 2 2 7 7 ARG CG C 13 26.925 0.016 . 1 . . . . 7 ARG CG . 11508 1 1248 . 2 2 7 7 ARG CD C 13 43.341 0.024 . 1 . . . . 7 ARG CD . 11508 1 1249 . 2 2 7 7 ARG N N 15 122.109 0.032 . 1 . . . . 7 ARG N . 11508 1 1250 . 2 2 7 7 ARG NE N 15 84.656 0.031 . 1 . . . . 7 ARG NE . 11508 1 1251 . 2 2 8 8 PHE H H 1 8.361 0.002 . 1 . . . . 8 PHE H . 11508 1 1252 . 2 2 8 8 PHE HA H 1 4.705 0.003 . 1 . . . . 8 PHE HA . 11508 1 1253 . 2 2 8 8 PHE HB2 H 1 3 0.013 . 2 . . . . 8 PHE HB2 . 11508 1 1254 . 2 2 8 8 PHE HB3 H 1 3.19 0.007 . 2 . . . . 8 PHE HB3 . 11508 1 1255 . 2 2 8 8 PHE HD1 H 1 7.231 0.015 . 3 . . . . 8 PHE HD1 . 11508 1 1256 . 2 2 8 8 PHE HE1 H 1 7.284 0.011 . 3 . . . . 8 PHE HE1 . 11508 1 1257 . 2 2 8 8 PHE HZ H 1 7.353 0.002 . 1 . . . . 8 PHE HZ . 11508 1 1258 . 2 2 8 8 PHE C C 13 175.565 0 . 1 . . . . 8 PHE C . 11508 1 1259 . 2 2 8 8 PHE CA C 13 57.592 0.024 . 1 . . . . 8 PHE CA . 11508 1 1260 . 2 2 8 8 PHE CB C 13 39.879 0.016 . 1 . . . . 8 PHE CB . 11508 1 1261 . 2 2 8 8 PHE CD1 C 13 131.755 0.113 . 3 . . . . 8 PHE CD1 . 11508 1 1262 . 2 2 8 8 PHE CE1 C 13 131.515 0.068 . 3 . . . . 8 PHE CE1 . 11508 1 1263 . 2 2 8 8 PHE CZ C 13 131.861 0.043 . 1 . . . . 8 PHE CZ . 11508 1 1264 . 2 2 8 8 PHE N N 15 120.995 0.027 . 1 . . . . 8 PHE N . 11508 1 1265 . 2 2 9 9 SER H H 1 8.19 0.008 . 1 . . . . 9 SER H . 11508 1 1266 . 2 2 9 9 SER HA H 1 4.487 0.005 . 1 . . . . 9 SER HA . 11508 1 1267 . 2 2 9 9 SER HB2 H 1 3.821 0.013 . 2 . . . . 9 SER HB2 . 11508 1 1268 . 2 2 9 9 SER HB3 H 1 3.856 0.002 . 2 . . . . 9 SER HB3 . 11508 1 1269 . 2 2 9 9 SER C C 13 174.108 0 . 1 . . . . 9 SER C . 11508 1 1270 . 2 2 9 9 SER CA C 13 58.184 0.05 . 1 . . . . 9 SER CA . 11508 1 1271 . 2 2 9 9 SER CB C 13 64.362 0.024 . 1 . . . . 9 SER CB . 11508 1 1272 . 2 2 9 9 SER N N 15 116.899 0.025 . 1 . . . . 9 SER N . 11508 1 1273 . 2 2 10 10 SER H H 1 8.507 0.004 . 1 . . . . 10 SER H . 11508 1 1274 . 2 2 10 10 SER HA H 1 4.515 0.011 . 1 . . . . 10 SER HA . 11508 1 1275 . 2 2 10 10 SER HB2 H 1 3.87 0.012 . 2 . . . . 10 SER HB2 . 11508 1 1276 . 2 2 10 10 SER HB3 H 1 3.881 0 . 2 . . . . 10 SER HB3 . 11508 1 1277 . 2 2 10 10 SER C C 13 174.241 0 . 1 . . . . 10 SER C . 11508 1 1278 . 2 2 10 10 SER CA C 13 58.52 0.035 . 1 . . . . 10 SER CA . 11508 1 1279 . 2 2 10 10 SER CB C 13 63.86 0.064 . 1 . . . . 10 SER CB . 11508 1 1280 . 2 2 10 10 SER N N 15 117.791 0.028 . 1 . . . . 10 SER N . 11508 1 1281 . 2 2 11 11 LEU H H 1 8.068 0.012 . 1 . . . . 11 LEU H . 11508 1 1282 . 2 2 11 11 LEU HA H 1 4.412 0.011 . 1 . . . . 11 LEU HA . 11508 1 1283 . 2 2 11 11 LEU HB2 H 1 1.554 0.004 . 2 . . . . 11 LEU HB2 . 11508 1 1284 . 2 2 11 11 LEU HG H 1 1.666 0.005 . 1 . . . . 11 LEU HG . 11508 1 1285 . 2 2 11 11 LEU HD11 H 1 0.86 0.007 . 2 . . . . 11 LEU MD1 . 11508 1 1286 . 2 2 11 11 LEU HD12 H 1 0.86 0.007 . 2 . . . . 11 LEU MD1 . 11508 1 1287 . 2 2 11 11 LEU HD13 H 1 0.86 0.007 . 2 . . . . 11 LEU MD1 . 11508 1 1288 . 2 2 11 11 LEU HD21 H 1 0.932 0.007 . 2 . . . . 11 LEU MD2 . 11508 1 1289 . 2 2 11 11 LEU HD22 H 1 0.932 0.007 . 2 . . . . 11 LEU MD2 . 11508 1 1290 . 2 2 11 11 LEU HD23 H 1 0.932 0.007 . 2 . . . . 11 LEU MD2 . 11508 1 1291 . 2 2 11 11 LEU C C 13 176.977 0 . 1 . . . . 11 LEU C . 11508 1 1292 . 2 2 11 11 LEU CA C 13 54.967 0.038 . 1 . . . . 11 LEU CA . 11508 1 1293 . 2 2 11 11 LEU CB C 13 43.287 0.026 . 1 . . . . 11 LEU CB . 11508 1 1294 . 2 2 11 11 LEU CG C 13 26.984 0.032 . 1 . . . . 11 LEU CG . 11508 1 1295 . 2 2 11 11 LEU CD1 C 13 23.925 0.025 . 2 . . . . 11 LEU CD1 . 11508 1 1296 . 2 2 11 11 LEU CD2 C 13 24.994 0.026 . 2 . . . . 11 LEU CD2 . 11508 1 1297 . 2 2 11 11 LEU N N 15 124.235 0.027 . 1 . . . . 11 LEU N . 11508 1 1298 . 2 2 12 12 SER H H 1 8.274 0.008 . 1 . . . . 12 SER H . 11508 1 1299 . 2 2 12 12 SER HA H 1 4.37 0.006 . 1 . . . . 12 SER HA . 11508 1 1300 . 2 2 12 12 SER HB2 H 1 3.831 0.007 . 2 . . . . 12 SER HB2 . 11508 1 1301 . 2 2 12 12 SER HB3 H 1 3.859 0 . 2 . . . . 12 SER HB3 . 11508 1 1302 . 2 2 12 12 SER C C 13 173.259 0 . 1 . . . . 12 SER C . 11508 1 1303 . 2 2 12 12 SER CA C 13 58.506 0.054 . 1 . . . . 12 SER CA . 11508 1 1304 . 2 2 12 12 SER CB C 13 63.762 0.045 . 1 . . . . 12 SER CB . 11508 1 1305 . 2 2 12 12 SER N N 15 117.541 0.027 . 1 . . . . 12 SER N . 11508 1 1306 . 2 2 13 13 TYR H H 1 8.239 0.012 . 1 . . . . 13 TYR H . 11508 1 1307 . 2 2 13 13 TYR HA H 1 4.488 0.006 . 1 . . . . 13 TYR HA . 11508 1 1308 . 2 2 13 13 TYR HB2 H 1 2.569 0.014 . 2 . . . . 13 TYR HB2 . 11508 1 1309 . 2 2 13 13 TYR HB3 H 1 2.861 0.012 . 2 . . . . 13 TYR HB3 . 11508 1 1310 . 2 2 13 13 TYR HD1 H 1 6.659 0.009 . 3 . . . . 13 TYR HD1 . 11508 1 1311 . 2 2 13 13 TYR HE1 H 1 6.737 0.012 . 3 . . . . 13 TYR HE1 . 11508 1 1312 . 2 2 13 13 TYR C C 13 175.262 0 . 1 . . . . 13 TYR C . 11508 1 1313 . 2 2 13 13 TYR CA C 13 58.629 0.072 . 1 . . . . 13 TYR CA . 11508 1 1314 . 2 2 13 13 TYR CB C 13 40.037 0.032 . 1 . . . . 13 TYR CB . 11508 1 1315 . 2 2 13 13 TYR CD1 C 13 132.874 0.015 . 3 . . . . 13 TYR CD1 . 11508 1 1316 . 2 2 13 13 TYR CE1 C 13 118.031 0.017 . 3 . . . . 13 TYR CE1 . 11508 1 1317 . 2 2 13 13 TYR N N 15 122.271 0.029 . 1 . . . . 13 TYR N . 11508 1 1318 . 2 2 14 14 LYS H H 1 6.952 0.007 . 1 . . . . 14 LYS H . 11508 1 1319 . 2 2 14 14 LYS HA H 1 4.064 0.007 . 1 . . . . 14 LYS HA . 11508 1 1320 . 2 2 14 14 LYS HB2 H 1 1.381 0.007 . 2 . . . . 14 LYS HB2 . 11508 1 1321 . 2 2 14 14 LYS HB3 H 1 1.535 0.005 . 2 . . . . 14 LYS HB3 . 11508 1 1322 . 2 2 14 14 LYS HG2 H 1 1.34 0.011 . 2 . . . . 14 LYS HG2 . 11508 1 1323 . 2 2 14 14 LYS HG3 H 1 1.404 0.003 . 2 . . . . 14 LYS HG3 . 11508 1 1324 . 2 2 14 14 LYS HD2 H 1 1.58 0.003 . 2 . . . . 14 LYS HD2 . 11508 1 1325 . 2 2 14 14 LYS HD3 H 1 1.648 0.002 . 2 . . . . 14 LYS HD3 . 11508 1 1326 . 2 2 14 14 LYS HE2 H 1 2.864 0.01 . 2 . . . . 14 LYS HE2 . 11508 1 1327 . 2 2 14 14 LYS C C 13 173.183 0 . 1 . . . . 14 LYS C . 11508 1 1328 . 2 2 14 14 LYS CA C 13 54.765 0.057 . 1 . . . . 14 LYS CA . 11508 1 1329 . 2 2 14 14 LYS CB C 13 36.546 0.048 . 1 . . . . 14 LYS CB . 11508 1 1330 . 2 2 14 14 LYS CG C 13 24.737 0.035 . 1 . . . . 14 LYS CG . 11508 1 1331 . 2 2 14 14 LYS CD C 13 29.418 0.11 . 1 . . . . 14 LYS CD . 11508 1 1332 . 2 2 14 14 LYS CE C 13 42.064 0.019 . 1 . . . . 14 LYS CE . 11508 1 1333 . 2 2 14 14 LYS N N 15 126.832 0.016 . 1 . . . . 14 LYS N . 11508 1 1334 . 2 2 15 15 SER H H 1 8.399 0.008 . 1 . . . . 15 SER H . 11508 1 1335 . 2 2 15 15 SER HA H 1 4.751 0.008 . 1 . . . . 15 SER HA . 11508 1 1336 . 2 2 15 15 SER HB2 H 1 3.753 0.012 . 2 . . . . 15 SER HB2 . 11508 1 1337 . 2 2 15 15 SER HB3 H 1 4.063 0.018 . 2 . . . . 15 SER HB3 . 11508 1 1338 . 2 2 15 15 SER C C 13 176.736 0 . 1 . . . . 15 SER C . 11508 1 1339 . 2 2 15 15 SER CA C 13 55.719 0.014 . 1 . . . . 15 SER CA . 11508 1 1340 . 2 2 15 15 SER CB C 13 64.714 0.032 . 1 . . . . 15 SER CB . 11508 1 1341 . 2 2 15 15 SER N N 15 116.118 0.033 . 1 . . . . 15 SER N . 11508 1 1342 . 2 2 16 16 ARG H H 1 9.224 0.01 . 1 . . . . 16 ARG H . 11508 1 1343 . 2 2 16 16 ARG HA H 1 4.118 0.006 . 1 . . . . 16 ARG HA . 11508 1 1344 . 2 2 16 16 ARG HB2 H 1 1.538 0.007 . 2 . . . . 16 ARG HB2 . 11508 1 1345 . 2 2 16 16 ARG HB3 H 1 1.79 0.009 . 2 . . . . 16 ARG HB3 . 11508 1 1346 . 2 2 16 16 ARG HG2 H 1 1.677 0.002 . 2 . . . . 16 ARG HG2 . 11508 1 1347 . 2 2 16 16 ARG HG3 H 1 1.472 0.006 . 2 . . . . 16 ARG HG3 . 11508 1 1348 . 2 2 16 16 ARG HD2 H 1 3.054 0.008 . 2 . . . . 16 ARG HD2 . 11508 1 1349 . 2 2 16 16 ARG HD3 H 1 3.222 0.008 . 2 . . . . 16 ARG HD3 . 11508 1 1350 . 2 2 16 16 ARG HE H 1 7.433 0.014 . 1 . . . . 16 ARG HE . 11508 1 1351 . 2 2 16 16 ARG C C 13 177.351 0 . 1 . . . . 16 ARG C . 11508 1 1352 . 2 2 16 16 ARG CA C 13 57.713 0.045 . 1 . . . . 16 ARG CA . 11508 1 1353 . 2 2 16 16 ARG CB C 13 30.164 0.038 . 1 . . . . 16 ARG CB . 11508 1 1354 . 2 2 16 16 ARG CG C 13 27.464 0.059 . 1 . . . . 16 ARG CG . 11508 1 1355 . 2 2 16 16 ARG CD C 13 43.929 0.083 . 1 . . . . 16 ARG CD . 11508 1 1356 . 2 2 16 16 ARG N N 15 126.684 0.041 . 1 . . . . 16 ARG N . 11508 1 1357 . 2 2 16 16 ARG NE N 15 83.409 0.028 . 1 . . . . 16 ARG NE . 11508 1 1358 . 2 2 17 17 GLU H H 1 7.958 0.008 . 1 . . . . 17 GLU H . 11508 1 1359 . 2 2 17 17 GLU HA H 1 3.989 0.005 . 1 . . . . 17 GLU HA . 11508 1 1360 . 2 2 17 17 GLU HB2 H 1 1.799 0.006 . 2 . . . . 17 GLU HB2 . 11508 1 1361 . 2 2 17 17 GLU HB3 H 1 1.993 0.01 . 2 . . . . 17 GLU HB3 . 11508 1 1362 . 2 2 17 17 GLU HG2 H 1 2.2 0.006 . 2 . . . . 17 GLU HG2 . 11508 1 1363 . 2 2 17 17 GLU HG3 H 1 2.216 0.011 . 2 . . . . 17 GLU HG3 . 11508 1 1364 . 2 2 17 17 GLU C C 13 177.754 0 . 1 . . . . 17 GLU C . 11508 1 1365 . 2 2 17 17 GLU CA C 13 58.027 0.027 . 1 . . . . 17 GLU CA . 11508 1 1366 . 2 2 17 17 GLU CB C 13 29.425 0.032 . 1 . . . . 17 GLU CB . 11508 1 1367 . 2 2 17 17 GLU CG C 13 36.6 0.054 . 1 . . . . 17 GLU CG . 11508 1 1368 . 2 2 17 17 GLU N N 15 116.866 0.031 . 1 . . . . 17 GLU N . 11508 1 1369 . 2 2 18 18 GLU H H 1 7.298 0.01 . 1 . . . . 18 GLU H . 11508 1 1370 . 2 2 18 18 GLU HA H 1 4.224 0.007 . 1 . . . . 18 GLU HA . 11508 1 1371 . 2 2 18 18 GLU HB2 H 1 2.059 0.006 . 2 . . . . 18 GLU HB2 . 11508 1 1372 . 2 2 18 18 GLU HB3 H 1 2.09 0.014 . 2 . . . . 18 GLU HB3 . 11508 1 1373 . 2 2 18 18 GLU HG2 H 1 2.244 0.012 . 2 . . . . 18 GLU HG2 . 11508 1 1374 . 2 2 18 18 GLU HG3 H 1 2.268 0.013 . 2 . . . . 18 GLU HG3 . 11508 1 1375 . 2 2 18 18 GLU C C 13 176.673 0 . 1 . . . . 18 GLU C . 11508 1 1376 . 2 2 18 18 GLU CA C 13 57.047 0.072 . 1 . . . . 18 GLU CA . 11508 1 1377 . 2 2 18 18 GLU CB C 13 30.748 0.021 . 1 . . . . 18 GLU CB . 11508 1 1378 . 2 2 18 18 GLU CG C 13 36.529 0.031 . 1 . . . . 18 GLU CG . 11508 1 1379 . 2 2 18 18 GLU N N 15 117.327 0.023 . 1 . . . . 18 GLU N . 11508 1 1380 . 2 2 19 19 ASP H H 1 7.674 0.016 . 1 . . . . 19 ASP H . 11508 1 1381 . 2 2 19 19 ASP HA H 1 5.005 0.004 . 1 . . . . 19 ASP HA . 11508 1 1382 . 2 2 19 19 ASP HB2 H 1 2.301 0.006 . 2 . . . . 19 ASP HB2 . 11508 1 1383 . 2 2 19 19 ASP HB3 H 1 2.706 0.01 . 2 . . . . 19 ASP HB3 . 11508 1 1384 . 2 2 19 19 ASP CA C 13 50.665 0.038 . 1 . . . . 19 ASP CA . 11508 1 1385 . 2 2 19 19 ASP CB C 13 41.29 0.021 . 1 . . . . 19 ASP CB . 11508 1 1386 . 2 2 19 19 ASP N N 15 115.87 0.041 . 1 . . . . 19 ASP N . 11508 1 1387 . 2 2 20 20 PRO HA H 1 4.684 0.001 . 1 . . . . 20 PRO HA . 11508 1 1388 . 2 2 20 20 PRO HB2 H 1 2.044 0.006 . 2 . . . . 20 PRO HB2 . 11508 1 1389 . 2 2 20 20 PRO HB3 H 1 2.387 0.011 . 2 . . . . 20 PRO HB3 . 11508 1 1390 . 2 2 20 20 PRO HG2 H 1 1.933 0.008 . 2 . . . . 20 PRO HG2 . 11508 1 1391 . 2 2 20 20 PRO HG3 H 1 2.02 0.006 . 2 . . . . 20 PRO HG3 . 11508 1 1392 . 2 2 20 20 PRO HD2 H 1 3.484 0.016 . 2 . . . . 20 PRO HD2 . 11508 1 1393 . 2 2 20 20 PRO HD3 H 1 3.853 0.008 . 2 . . . . 20 PRO HD3 . 11508 1 1394 . 2 2 20 20 PRO C C 13 177.892 0 . 1 . . . . 20 PRO C . 11508 1 1395 . 2 2 20 20 PRO CA C 13 63.536 0.026 . 1 . . . . 20 PRO CA . 11508 1 1396 . 2 2 20 20 PRO CB C 13 32.317 0.016 . 1 . . . . 20 PRO CB . 11508 1 1397 . 2 2 20 20 PRO CG C 13 26.737 0.03 . 1 . . . . 20 PRO CG . 11508 1 1398 . 2 2 20 20 PRO CD C 13 50.629 0.091 . 1 . . . . 20 PRO CD . 11508 1 1399 . 2 2 21 21 THR H H 1 8.183 0.008 . 1 . . . . 21 THR H . 11508 1 1400 . 2 2 21 21 THR HA H 1 4.337 0.007 . 1 . . . . 21 THR HA . 11508 1 1401 . 2 2 21 21 THR HB H 1 4.355 0.004 . 1 . . . . 21 THR HB . 11508 1 1402 . 2 2 21 21 THR HG21 H 1 1.178 0.005 . 1 . . . . 21 THR MG . 11508 1 1403 . 2 2 21 21 THR HG22 H 1 1.178 0.005 . 1 . . . . 21 THR MG . 11508 1 1404 . 2 2 21 21 THR HG23 H 1 1.178 0.005 . 1 . . . . 21 THR MG . 11508 1 1405 . 2 2 21 21 THR C C 13 175.342 0 . 1 . . . . 21 THR C . 11508 1 1406 . 2 2 21 21 THR CA C 13 62.097 0.033 . 1 . . . . 21 THR CA . 11508 1 1407 . 2 2 21 21 THR CB C 13 69.258 0.022 . 1 . . . . 21 THR CB . 11508 1 1408 . 2 2 21 21 THR CG2 C 13 21.552 0.01 . 1 . . . . 21 THR CG2 . 11508 1 1409 . 2 2 21 21 THR N N 15 109.842 0.017 . 1 . . . . 21 THR N . 11508 1 1410 . 2 2 22 22 LEU H H 1 6.979 0.015 . 1 . . . . 22 LEU H . 11508 1 1411 . 2 2 22 22 LEU HA H 1 4.196 0.012 . 1 . . . . 22 LEU HA . 11508 1 1412 . 2 2 22 22 LEU HB2 H 1 1.252 0.01 . 2 . . . . 22 LEU HB2 . 11508 1 1413 . 2 2 22 22 LEU HB3 H 1 1.596 0.007 . 2 . . . . 22 LEU HB3 . 11508 1 1414 . 2 2 22 22 LEU HG H 1 1.752 0.008 . 1 . . . . 22 LEU HG . 11508 1 1415 . 2 2 22 22 LEU HD11 H 1 0.647 0.003 . 2 . . . . 22 LEU MD1 . 11508 1 1416 . 2 2 22 22 LEU HD12 H 1 0.647 0.003 . 2 . . . . 22 LEU MD1 . 11508 1 1417 . 2 2 22 22 LEU HD13 H 1 0.647 0.003 . 2 . . . . 22 LEU MD1 . 11508 1 1418 . 2 2 22 22 LEU HD21 H 1 0.59 0.008 . 2 . . . . 22 LEU MD2 . 11508 1 1419 . 2 2 22 22 LEU HD22 H 1 0.59 0.008 . 2 . . . . 22 LEU MD2 . 11508 1 1420 . 2 2 22 22 LEU HD23 H 1 0.59 0.008 . 2 . . . . 22 LEU MD2 . 11508 1 1421 . 2 2 22 22 LEU C C 13 177.563 0 . 1 . . . . 22 LEU C . 11508 1 1422 . 2 2 22 22 LEU CA C 13 55.718 0.019 . 1 . . . . 22 LEU CA . 11508 1 1423 . 2 2 22 22 LEU CB C 13 43.602 0.024 . 1 . . . . 22 LEU CB . 11508 1 1424 . 2 2 22 22 LEU CG C 13 26.515 0.072 . 1 . . . . 22 LEU CG . 11508 1 1425 . 2 2 22 22 LEU CD1 C 13 23.794 0.011 . 2 . . . . 22 LEU CD1 . 11508 1 1426 . 2 2 22 22 LEU CD2 C 13 26.284 0.041 . 2 . . . . 22 LEU CD2 . 11508 1 1427 . 2 2 22 22 LEU N N 15 123.247 0.021 . 1 . . . . 22 LEU N . 11508 1 1428 . 2 2 23 23 THR H H 1 8.8 0.005 . 1 . . . . 23 THR H . 11508 1 1429 . 2 2 23 23 THR HA H 1 4.533 0.014 . 1 . . . . 23 THR HA . 11508 1 1430 . 2 2 23 23 THR HB H 1 4.774 0.004 . 1 . . . . 23 THR HB . 11508 1 1431 . 2 2 23 23 THR HG21 H 1 1.383 0.003 . 1 . . . . 23 THR MG . 11508 1 1432 . 2 2 23 23 THR HG22 H 1 1.383 0.003 . 1 . . . . 23 THR MG . 11508 1 1433 . 2 2 23 23 THR HG23 H 1 1.383 0.003 . 1 . . . . 23 THR MG . 11508 1 1434 . 2 2 23 23 THR C C 13 175.569 0 . 1 . . . . 23 THR C . 11508 1 1435 . 2 2 23 23 THR CA C 13 60.095 0.06 . 1 . . . . 23 THR CA . 11508 1 1436 . 2 2 23 23 THR CB C 13 71.799 0.007 . 1 . . . . 23 THR CB . 11508 1 1437 . 2 2 23 23 THR CG2 C 13 21.874 0.012 . 1 . . . . 23 THR CG2 . 11508 1 1438 . 2 2 23 23 THR N N 15 114.497 0.024 . 1 . . . . 23 THR N . 11508 1 1439 . 2 2 24 24 GLU H H 1 8.986 0.013 . 1 . . . . 24 GLU H . 11508 1 1440 . 2 2 24 24 GLU HA H 1 4.035 0.007 . 1 . . . . 24 GLU HA . 11508 1 1441 . 2 2 24 24 GLU HB2 H 1 2.075 0.012 . 2 . . . . 24 GLU HB2 . 11508 1 1442 . 2 2 24 24 GLU HB3 H 1 2.136 0.003 . 2 . . . . 24 GLU HB3 . 11508 1 1443 . 2 2 24 24 GLU HG2 H 1 2.47 0.003 . 2 . . . . 24 GLU HG2 . 11508 1 1444 . 2 2 24 24 GLU HG3 H 1 2.506 0.008 . 2 . . . . 24 GLU HG3 . 11508 1 1445 . 2 2 24 24 GLU C C 13 179.709 0 . 1 . . . . 24 GLU C . 11508 1 1446 . 2 2 24 24 GLU CA C 13 59.32 0.048 . 1 . . . . 24 GLU CA . 11508 1 1447 . 2 2 24 24 GLU CB C 13 28.779 0.026 . 1 . . . . 24 GLU CB . 11508 1 1448 . 2 2 24 24 GLU CG C 13 36.143 0.009 . 1 . . . . 24 GLU CG . 11508 1 1449 . 2 2 24 24 GLU N N 15 119.968 0.026 . 1 . . . . 24 GLU N . 11508 1 1450 . 2 2 25 25 GLU H H 1 8.83 0.008 . 1 . . . . 25 GLU H . 11508 1 1451 . 2 2 25 25 GLU HA H 1 4.119 0.01 . 1 . . . . 25 GLU HA . 11508 1 1452 . 2 2 25 25 GLU HB2 H 1 1.966 0.004 . 2 . . . . 25 GLU HB2 . 11508 1 1453 . 2 2 25 25 GLU HB3 H 1 2.1 0.005 . 2 . . . . 25 GLU HB3 . 11508 1 1454 . 2 2 25 25 GLU HG2 H 1 2.347 0.008 . 2 . . . . 25 GLU HG2 . 11508 1 1455 . 2 2 25 25 GLU HG3 H 1 2.414 0.014 . 2 . . . . 25 GLU HG3 . 11508 1 1456 . 2 2 25 25 GLU C C 13 179.336 0 . 1 . . . . 25 GLU C . 11508 1 1457 . 2 2 25 25 GLU CA C 13 60.004 0.008 . 1 . . . . 25 GLU CA . 11508 1 1458 . 2 2 25 25 GLU CB C 13 29.199 0.041 . 1 . . . . 25 GLU CB . 11508 1 1459 . 2 2 25 25 GLU CG C 13 36.833 0.017 . 1 . . . . 25 GLU CG . 11508 1 1460 . 2 2 25 25 GLU N N 15 119.764 0.025 . 1 . . . . 25 GLU N . 11508 1 1461 . 2 2 26 26 GLU H H 1 7.667 0.004 . 1 . . . . 26 GLU H . 11508 1 1462 . 2 2 26 26 GLU HA H 1 3.928 0.013 . 1 . . . . 26 GLU HA . 11508 1 1463 . 2 2 26 26 GLU HB2 H 1 1.771 0.006 . 2 . . . . 26 GLU HB2 . 11508 1 1464 . 2 2 26 26 GLU HB3 H 1 2.286 0.007 . 2 . . . . 26 GLU HB3 . 11508 1 1465 . 2 2 26 26 GLU HG2 H 1 2.133 0.003 . 2 . . . . 26 GLU HG2 . 11508 1 1466 . 2 2 26 26 GLU HG3 H 1 2.266 0.012 . 2 . . . . 26 GLU HG3 . 11508 1 1467 . 2 2 26 26 GLU C C 13 178.495 0 . 1 . . . . 26 GLU C . 11508 1 1468 . 2 2 26 26 GLU CA C 13 59.266 0.026 . 1 . . . . 26 GLU CA . 11508 1 1469 . 2 2 26 26 GLU CB C 13 29.975 0.033 . 1 . . . . 26 GLU CB . 11508 1 1470 . 2 2 26 26 GLU CG C 13 37.555 0.021 . 1 . . . . 26 GLU CG . 11508 1 1471 . 2 2 26 26 GLU N N 15 120.687 0.026 . 1 . . . . 26 GLU N . 11508 1 1472 . 2 2 27 27 ILE H H 1 8.127 0.008 . 1 . . . . 27 ILE H . 11508 1 1473 . 2 2 27 27 ILE HA H 1 4.004 0.006 . 1 . . . . 27 ILE HA . 11508 1 1474 . 2 2 27 27 ILE HB H 1 1.745 0.01 . 1 . . . . 27 ILE HB . 11508 1 1475 . 2 2 27 27 ILE HG12 H 1 0.859 0.007 . 2 . . . . 27 ILE HG12 . 11508 1 1476 . 2 2 27 27 ILE HG13 H 1 1.683 0.006 . 2 . . . . 27 ILE HG13 . 11508 1 1477 . 2 2 27 27 ILE HG21 H 1 0.735 0.009 . 1 . . . . 27 ILE MG . 11508 1 1478 . 2 2 27 27 ILE HG22 H 1 0.735 0.009 . 1 . . . . 27 ILE MG . 11508 1 1479 . 2 2 27 27 ILE HG23 H 1 0.735 0.009 . 1 . . . . 27 ILE MG . 11508 1 1480 . 2 2 27 27 ILE HD11 H 1 0.563 0.008 . 1 . . . . 27 ILE MD . 11508 1 1481 . 2 2 27 27 ILE HD12 H 1 0.563 0.008 . 1 . . . . 27 ILE MD . 11508 1 1482 . 2 2 27 27 ILE HD13 H 1 0.563 0.008 . 1 . . . . 27 ILE MD . 11508 1 1483 . 2 2 27 27 ILE C C 13 179.282 0 . 1 . . . . 27 ILE C . 11508 1 1484 . 2 2 27 27 ILE CA C 13 64.902 0.033 . 1 . . . . 27 ILE CA . 11508 1 1485 . 2 2 27 27 ILE CB C 13 38.112 0.024 . 1 . . . . 27 ILE CB . 11508 1 1486 . 2 2 27 27 ILE CG1 C 13 29.939 0.086 . 1 . . . . 27 ILE CG1 . 11508 1 1487 . 2 2 27 27 ILE CG2 C 13 18.469 0.023 . 1 . . . . 27 ILE CG2 . 11508 1 1488 . 2 2 27 27 ILE CD1 C 13 13.052 0.016 . 1 . . . . 27 ILE CD1 . 11508 1 1489 . 2 2 27 27 ILE N N 15 118.774 0.03 . 1 . . . . 27 ILE N . 11508 1 1490 . 2 2 28 28 SER H H 1 8.435 0.012 . 1 . . . . 28 SER H . 11508 1 1491 . 2 2 28 28 SER HA H 1 4.446 0.014 . 1 . . . . 28 SER HA . 11508 1 1492 . 2 2 28 28 SER HB2 H 1 4.073 0.018 . 2 . . . . 28 SER HB2 . 11508 1 1493 . 2 2 28 28 SER C C 13 177.12 0 . 1 . . . . 28 SER C . 11508 1 1494 . 2 2 28 28 SER CA C 13 62.092 0.05 . 1 . . . . 28 SER CA . 11508 1 1495 . 2 2 28 28 SER CB C 13 62.849 0.081 . 1 . . . . 28 SER CB . 11508 1 1496 . 2 2 28 28 SER N N 15 114.883 0.024 . 1 . . . . 28 SER N . 11508 1 1497 . 2 2 29 29 ALA H H 1 7.264 0.011 . 1 . . . . 29 ALA H . 11508 1 1498 . 2 2 29 29 ALA HA H 1 4.507 0.009 . 1 . . . . 29 ALA HA . 11508 1 1499 . 2 2 29 29 ALA HB1 H 1 1.607 0.006 . 1 . . . . 29 ALA MB . 11508 1 1500 . 2 2 29 29 ALA HB2 H 1 1.607 0.006 . 1 . . . . 29 ALA MB . 11508 1 1501 . 2 2 29 29 ALA HB3 H 1 1.607 0.006 . 1 . . . . 29 ALA MB . 11508 1 1502 . 2 2 29 29 ALA C C 13 178.156 0 . 1 . . . . 29 ALA C . 11508 1 1503 . 2 2 29 29 ALA CA C 13 53.386 0.038 . 1 . . . . 29 ALA CA . 11508 1 1504 . 2 2 29 29 ALA CB C 13 18.593 0.023 . 1 . . . . 29 ALA CB . 11508 1 1505 . 2 2 29 29 ALA N N 15 120.842 0.028 . 1 . . . . 29 ALA N . 11508 1 1506 . 2 2 30 30 MET H H 1 8.285 0.005 . 1 . . . . 30 MET H . 11508 1 1507 . 2 2 30 30 MET HA H 1 4.55 0.004 . 1 . . . . 30 MET HA . 11508 1 1508 . 2 2 30 30 MET HB2 H 1 2.193 0.007 . 2 . . . . 30 MET HB2 . 11508 1 1509 . 2 2 30 30 MET HB3 H 1 2.544 0.01 . 2 . . . . 30 MET HB3 . 11508 1 1510 . 2 2 30 30 MET HG2 H 1 2.562 0.009 . 2 . . . . 30 MET HG2 . 11508 1 1511 . 2 2 30 30 MET HG3 H 1 3.141 0.007 . 2 . . . . 30 MET HG3 . 11508 1 1512 . 2 2 30 30 MET HE1 H 1 1.957 0.008 . 1 . . . . 30 MET ME . 11508 1 1513 . 2 2 30 30 MET HE2 H 1 1.957 0.008 . 1 . . . . 30 MET ME . 11508 1 1514 . 2 2 30 30 MET HE3 H 1 1.957 0.008 . 1 . . . . 30 MET ME . 11508 1 1515 . 2 2 30 30 MET C C 13 175.048 0 . 1 . . . . 30 MET C . 11508 1 1516 . 2 2 30 30 MET CA C 13 56.342 0.09 . 1 . . . . 30 MET CA . 11508 1 1517 . 2 2 30 30 MET CB C 13 32.077 0.068 . 1 . . . . 30 MET CB . 11508 1 1518 . 2 2 30 30 MET CG C 13 32.136 0.044 . 1 . . . . 30 MET CG . 11508 1 1519 . 2 2 30 30 MET CE C 13 18.237 0.023 . 1 . . . . 30 MET CE . 11508 1 1520 . 2 2 30 30 MET N N 15 116.213 0.037 . 1 . . . . 30 MET N . 11508 1 1521 . 2 2 31 31 PTR C C 13 174.988 0 . . . . . . 31 PTR C . 11508 1 1522 . 2 2 31 31 PTR CA C 13 57.664 0.021 . . . . . . 31 PTR CA . 11508 1 1523 . 2 2 31 31 PTR CB C 13 41.189 0.028 . . . . . . 31 PTR CB . 11508 1 1524 . 2 2 31 31 PTR CD1 C 13 121.837 0.021 . . . . . . 31 PTR CD1 . 11508 1 1525 . 2 2 31 31 PTR CE1 C 13 122.711 0.047 . . . . . . 31 PTR CE1 . 11508 1 1526 . 2 2 31 31 PTR H H 1 8.043 0.007 . . . . . . 31 PTR H . 11508 1 1527 . 2 2 31 31 PTR HA H 1 4.872 0.015 . . . . . . 31 PTR HA . 11508 1 1528 . 2 2 31 31 PTR HB2 H 1 3.123 0.009 . . . . . . 31 PTR HB2 . 11508 1 1529 . 2 2 31 31 PTR HB3 H 1 3.564 0.022 . . . . . . 31 PTR HB3 . 11508 1 1530 . 2 2 31 31 PTR HD1 H 1 7.505 0.013 . . . . . . 31 PTR HD1 . 11508 1 1531 . 2 2 31 31 PTR HE1 H 1 6.723 0.004 . . . . . . 31 PTR HE1 . 11508 1 1532 . 2 2 31 31 PTR N N 15 120.677 0.03 . . . . . . 31 PTR N . 11508 1 1533 . 2 2 32 32 SER H H 1 9.073 0.007 . 1 . . . . 32 SER H . 11508 1 1534 . 2 2 32 32 SER HA H 1 4.462 0.004 . 1 . . . . 32 SER HA . 11508 1 1535 . 2 2 32 32 SER HB2 H 1 2.393 0.014 . 2 . . . . 32 SER HB2 . 11508 1 1536 . 2 2 32 32 SER HB3 H 1 3.419 0.021 . 2 . . . . 32 SER HB3 . 11508 1 1537 . 2 2 32 32 SER C C 13 172.966 0 . 1 . . . . 32 SER C . 11508 1 1538 . 2 2 32 32 SER CA C 13 59.217 0.028 . 1 . . . . 32 SER CA . 11508 1 1539 . 2 2 32 32 SER CB C 13 62.621 0.014 . 1 . . . . 32 SER CB . 11508 1 1540 . 2 2 32 32 SER N N 15 119.116 0.032 . 1 . . . . 32 SER N . 11508 1 1541 . 2 2 33 33 SER H H 1 8.693 0.007 . 1 . . . . 33 SER H . 11508 1 1542 . 2 2 33 33 SER HA H 1 5.015 0.014 . 1 . . . . 33 SER HA . 11508 1 1543 . 2 2 33 33 SER HB2 H 1 3.833 0.021 . 2 . . . . 33 SER HB2 . 11508 1 1544 . 2 2 33 33 SER HB3 H 1 3.937 0.012 . 2 . . . . 33 SER HB3 . 11508 1 1545 . 2 2 33 33 SER C C 13 174.558 0 . 1 . . . . 33 SER C . 11508 1 1546 . 2 2 33 33 SER CA C 13 57.23 0.009 . 1 . . . . 33 SER CA . 11508 1 1547 . 2 2 33 33 SER CB C 13 65.305 0.02 . 1 . . . . 33 SER CB . 11508 1 1548 . 2 2 33 33 SER N N 15 117.256 0.036 . 1 . . . . 33 SER N . 11508 1 1549 . 2 2 34 34 VAL H H 1 8.812 0.017 . 1 . . . . 34 VAL H . 11508 1 1550 . 2 2 34 34 VAL HA H 1 4.014 0.009 . 1 . . . . 34 VAL HA . 11508 1 1551 . 2 2 34 34 VAL HB H 1 1.999 0.01 . 1 . . . . 34 VAL HB . 11508 1 1552 . 2 2 34 34 VAL HG11 H 1 0.984 0.009 . 2 . . . . 34 VAL MG1 . 11508 1 1553 . 2 2 34 34 VAL HG12 H 1 0.984 0.009 . 2 . . . . 34 VAL MG1 . 11508 1 1554 . 2 2 34 34 VAL HG13 H 1 0.984 0.009 . 2 . . . . 34 VAL MG1 . 11508 1 1555 . 2 2 34 34 VAL HG21 H 1 0.991 0.007 . 2 . . . . 34 VAL MG2 . 11508 1 1556 . 2 2 34 34 VAL HG22 H 1 0.991 0.007 . 2 . . . . 34 VAL MG2 . 11508 1 1557 . 2 2 34 34 VAL HG23 H 1 0.991 0.007 . 2 . . . . 34 VAL MG2 . 11508 1 1558 . 2 2 34 34 VAL C C 13 175.401 0 . 1 . . . . 34 VAL C . 11508 1 1559 . 2 2 34 34 VAL CA C 13 62.606 0.031 . 1 . . . . 34 VAL CA . 11508 1 1560 . 2 2 34 34 VAL CB C 13 32.905 0.027 . 1 . . . . 34 VAL CB . 11508 1 1561 . 2 2 34 34 VAL CG1 C 13 20.687 0.021 . 2 . . . . 34 VAL CG1 . 11508 1 1562 . 2 2 34 34 VAL CG2 C 13 22.133 0.022 . 2 . . . . 34 VAL CG2 . 11508 1 1563 . 2 2 34 34 VAL N N 15 121.687 0.036 . 1 . . . . 34 VAL N . 11508 1 1564 . 2 2 35 35 ASN H H 1 8.952 0.015 . 1 . . . . 35 ASN H . 11508 1 1565 . 2 2 35 35 ASN HA H 1 4.944 0.012 . 1 . . . . 35 ASN HA . 11508 1 1566 . 2 2 35 35 ASN HB2 H 1 2.648 0.009 . 2 . . . . 35 ASN HB2 . 11508 1 1567 . 2 2 35 35 ASN HB3 H 1 2.757 0.011 . 2 . . . . 35 ASN HB3 . 11508 1 1568 . 2 2 35 35 ASN HD21 H 1 6.85 0.007 . 2 . . . . 35 ASN HD21 . 11508 1 1569 . 2 2 35 35 ASN HD22 H 1 7.527 0.005 . 2 . . . . 35 ASN HD22 . 11508 1 1570 . 2 2 35 35 ASN C C 13 173.852 0 . 1 . . . . 35 ASN C . 11508 1 1571 . 2 2 35 35 ASN CA C 13 52.392 0.046 . 1 . . . . 35 ASN CA . 11508 1 1572 . 2 2 35 35 ASN CB C 13 39.493 0.039 . 1 . . . . 35 ASN CB . 11508 1 1573 . 2 2 35 35 ASN N N 15 124.491 0.028 . 1 . . . . 35 ASN N . 11508 1 1574 . 2 2 35 35 ASN ND2 N 15 112.981 0.067 . 1 . . . . 35 ASN ND2 . 11508 1 1575 . 2 2 36 36 LYS H H 1 8.552 0.014 . 1 . . . . 36 LYS H . 11508 1 1576 . 2 2 36 36 LYS HA H 1 4.56 0.011 . 1 . . . . 36 LYS HA . 11508 1 1577 . 2 2 36 36 LYS HB2 H 1 1.667 0.006 . 2 . . . . 36 LYS HB2 . 11508 1 1578 . 2 2 36 36 LYS HB3 H 1 1.833 0.006 . 2 . . . . 36 LYS HB3 . 11508 1 1579 . 2 2 36 36 LYS HG2 H 1 1.303 0.014 . 2 . . . . 36 LYS HG2 . 11508 1 1580 . 2 2 36 36 LYS HG3 H 1 1.433 0.006 . 2 . . . . 36 LYS HG3 . 11508 1 1581 . 2 2 36 36 LYS HD2 H 1 1.654 0.007 . 2 . . . . 36 LYS HD2 . 11508 1 1582 . 2 2 36 36 LYS HE2 H 1 2.86 0.017 . 2 . . . . 36 LYS HE2 . 11508 1 1583 . 2 2 36 36 LYS CA C 13 54.273 0.027 . 1 . . . . 36 LYS CA . 11508 1 1584 . 2 2 36 36 LYS CB C 13 32.681 0.048 . 1 . . . . 36 LYS CB . 11508 1 1585 . 2 2 36 36 LYS CG C 13 25.39 0.04 . 1 . . . . 36 LYS CG . 11508 1 1586 . 2 2 36 36 LYS CD C 13 29.185 0.047 . 1 . . . . 36 LYS CD . 11508 1 1587 . 2 2 36 36 LYS CE C 13 42.158 0.036 . 1 . . . . 36 LYS CE . 11508 1 1588 . 2 2 36 36 LYS N N 15 124.424 0.045 . 1 . . . . 36 LYS N . 11508 1 1589 . 2 2 37 37 PRO HA H 1 4.422 0.011 . 1 . . . . 37 PRO HA . 11508 1 1590 . 2 2 37 37 PRO HB2 H 1 1.989 0.003 . 2 . . . . 37 PRO HB2 . 11508 1 1591 . 2 2 37 37 PRO HB3 H 1 2.283 0.01 . 2 . . . . 37 PRO HB3 . 11508 1 1592 . 2 2 37 37 PRO HG2 H 1 2.007 0.011 . 2 . . . . 37 PRO HG2 . 11508 1 1593 . 2 2 37 37 PRO HG3 H 1 2.052 0.016 . 2 . . . . 37 PRO HG3 . 11508 1 1594 . 2 2 37 37 PRO HD2 H 1 3.675 0.019 . 2 . . . . 37 PRO HD2 . 11508 1 1595 . 2 2 37 37 PRO HD3 H 1 3.738 0.011 . 2 . . . . 37 PRO HD3 . 11508 1 1596 . 2 2 37 37 PRO C C 13 176.472 0 . 1 . . . . 37 PRO C . 11508 1 1597 . 2 2 37 37 PRO CA C 13 63.503 0.007 . 1 . . . . 37 PRO CA . 11508 1 1598 . 2 2 37 37 PRO CB C 13 32.155 0.031 . 1 . . . . 37 PRO CB . 11508 1 1599 . 2 2 37 37 PRO CG C 13 27.251 0.021 . 1 . . . . 37 PRO CG . 11508 1 1600 . 2 2 37 37 PRO CD C 13 50.406 0.178 . 1 . . . . 37 PRO CD . 11508 1 1601 . 2 2 38 38 GLY H H 1 8.017 0.004 . 1 . . . . 38 GLY H . 11508 1 1602 . 2 2 38 38 GLY HA2 H 1 3.72 0.01 . 2 . . . . 38 GLY HA2 . 11508 1 1603 . 2 2 38 38 GLY HA3 H 1 3.795 0.008 . 2 . . . . 38 GLY HA3 . 11508 1 1604 . 2 2 38 38 GLY CA C 13 46.138 0.063 . 1 . . . . 38 GLY CA . 11508 1 1605 . 2 2 38 38 GLY N N 15 115.387 0.034 . 1 . . . . 38 GLY N . 11508 1 stop_ save_