data_17329 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17329 _Entry.Title ; The Solution Structure of Calcium Bound CIB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-30 _Entry.Accession_date 2010-11-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Hao Huang . . . 17329 2 Hans Vogel . J. . 17329 3 Hiroaki Ishida . . . 17329 4 Aaron Yamniuk . P. . 17329 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 . 'not applicable' 'not applicable' . 17329 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID calcium . 17329 'Calcium and Integrin Binding protein 1' . 17329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 603 17329 '15N chemical shifts' 162 17329 '1H chemical shifts' 390 17329 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-05-13 2010-11-30 update BMRB 'update entry citation' 17329 1 . . 2011-03-30 2010-11-30 original author 'original release' 17329 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17328 'magnesium bound CIB1' 17329 PDB 1XO5 'crystal structure of CIB1' 17329 PDB 1Y1A 'crystal structure of CIB1' 17329 PDB 2L4H 'BMRB Entry Tracking System' 17329 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17329 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21388953 _Citation.Full_citation . _Citation.Title 'Solution Structures of Ca2+-CIB1 and Mg2+-CIB1 and Their Interactions with the Platelet Integrin {alpha}IIb Cytoplasmic Domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 19 _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 17181 _Citation.Page_last 17192 _Citation.Year 2011 _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 Hao Huang . . . 17329 1 2 Hiroaki Ishida . . . 17329 1 3 Aaron Yamniuk . P. . 17329 1 4 Hans Vogel . J. . 17329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17329 _Assembly.ID 1 _Assembly.Name PROTEIN _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 $CIB1 A . yes native no no . . . 17329 1 2 'CALCIUM ION 1' 2 $CA B . no native no no . . . 17329 1 3 'CALCIUM ION 2' 2 $CA C . no native no no . . . 17329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CIB1 _Entity.Sf_category entity _Entity.Sf_framecode CIB1 _Entity.Entry_ID 17329 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CIB1 _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 ; MGHHHHHHHHHHSSGHIDDD DKHMGGSGSRLSKELLAEYQ DLTFLTKQEILLAHRRFCEL LPQEQRSVESSLRAQVPFEQ ILSLPELKANPFKERICRVF STSPAKDSLSFEDFLDLLSV FSDTATPDIKSHYAFRIFDF DDDGTLNREDLSRLVNCLTG EGEDTRLSASEMKQLIDNIL EESDIDRDGTINLSEFQHVI SRSPDFASSFKIVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21093.814 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17328 . CIB1 . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17329 1 2 no BMRB 18099 . CIB1 . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17329 1 3 no PDB 1DGU . "Homology-Based Model Of Calcium-Saturated Cib (Calcium-And Integrin-Binding Protein)" . . . . . 85.51 183 100.00 100.00 5.10e-126 . . . . 17329 1 4 no PDB 1DGV . "Homology-Based Model Of Apo Cib (Calcium-And Integrin- Binding Protein)" . . . . . 85.51 183 100.00 100.00 5.10e-126 . . . . 17329 1 5 no PDB 1XO5 . "Crystal Structure Of Cib1, An Ef-Hand, Integrin And Kinase- Binding Protein" . . . . . 85.51 183 100.00 100.00 5.10e-126 . . . . 17329 1 6 no PDB 1Y1A . "Crystal Structure Of Calcium And Integrin Binding Protein" . . . . . 85.51 183 100.00 100.00 5.10e-126 . . . . 17329 1 7 no PDB 2L4H . "The Solution Structure Of Calcium Bound Cib1" . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17329 1 8 no PDB 2L4I . "The Solution Structure Of Magnesium Bound Cib1" . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17329 1 9 no PDB 2LM5 . "Solution Structure Of Ca2+-cib1 In Complex With The Cytoplasmic Domain Of The Integrin Aiib Subunit" . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17329 1 10 no DBJ BAA36281 . "KIP [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 17329 1 11 no DBJ BAG70090 . "calcium and integrin binding 1 [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 12 no DBJ BAG70220 . "calcium and integrin binding 1 [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 13 no DBJ BAG72967 . "calcium and integrin binding 1 [synthetic construct]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 14 no EMBL CAG33236 . "CIB1 [Homo sapiens]" . . . . . 89.25 191 99.48 99.48 7.20e-132 . . . . 17329 1 15 no GB AAB39758 . "Snk interacting protein 2-28 [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 17329 1 16 no GB AAB53387 . "DNA-PK interaction protein [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 17329 1 17 no GB AAC51106 . "calcium and integrin binding protein CIB [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 18 no GB AAH00846 . "Calcium and integrin binding 1 (calmyrin) [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 19 no GB ABM82122 . "calcium and integrin binding 1 (calmyrin) [synthetic construct]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 20 no REF NP_006375 . "calcium and integrin-binding protein 1 isoform b [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 21 no REF XP_001096008 . "PREDICTED: calcium and integrin-binding protein 1 isoform 1 [Macaca mulatta]" . . . . . 89.25 191 97.38 98.43 9.06e-129 . . . . 17329 1 22 no REF XP_003268547 . "PREDICTED: calcium and integrin-binding protein 1 [Nomascus leucogenys]" . . . . . 89.25 191 97.91 99.48 9.13e-130 . . . . 17329 1 23 no REF XP_003807774 . "PREDICTED: calcium and integrin-binding protein 1 isoform X4 [Pan paniscus]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 24 no REF XP_003901434 . "PREDICTED: calcium and integrin-binding protein 1 isoform X4 [Papio anubis]" . . . . . 89.25 191 97.91 98.43 1.21e-129 . . . . 17329 1 25 no SP Q99828 . "RecName: Full=Calcium and integrin-binding protein 1; Short=CIB; AltName: Full=Calcium- and integrin-binding protein; Short=CIB" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17329 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -22 MET . 17329 1 2 -21 GLY . 17329 1 3 -20 HIS . 17329 1 4 -19 HIS . 17329 1 5 -18 HIS . 17329 1 6 -17 HIS . 17329 1 7 -16 HIS . 17329 1 8 -15 HIS . 17329 1 9 -14 HIS . 17329 1 10 -13 HIS . 17329 1 11 -12 HIS . 17329 1 12 -11 HIS . 17329 1 13 -10 SER . 17329 1 14 -9 SER . 17329 1 15 -8 GLY . 17329 1 16 -7 HIS . 17329 1 17 -6 ILE . 17329 1 18 -5 ASP . 17329 1 19 -4 ASP . 17329 1 20 -3 ASP . 17329 1 21 -2 ASP . 17329 1 22 -1 LYS . 17329 1 23 0 HIS . 17329 1 24 1 MET . 17329 1 25 2 GLY . 17329 1 26 3 GLY . 17329 1 27 4 SER . 17329 1 28 5 GLY . 17329 1 29 6 SER . 17329 1 30 7 ARG . 17329 1 31 8 LEU . 17329 1 32 9 SER . 17329 1 33 10 LYS . 17329 1 34 11 GLU . 17329 1 35 12 LEU . 17329 1 36 13 LEU . 17329 1 37 14 ALA . 17329 1 38 15 GLU . 17329 1 39 16 TYR . 17329 1 40 17 GLN . 17329 1 41 18 ASP . 17329 1 42 19 LEU . 17329 1 43 20 THR . 17329 1 44 21 PHE . 17329 1 45 22 LEU . 17329 1 46 23 THR . 17329 1 47 24 LYS . 17329 1 48 25 GLN . 17329 1 49 26 GLU . 17329 1 50 27 ILE . 17329 1 51 28 LEU . 17329 1 52 29 LEU . 17329 1 53 30 ALA . 17329 1 54 31 HIS . 17329 1 55 32 ARG . 17329 1 56 33 ARG . 17329 1 57 34 PHE . 17329 1 58 35 CYS . 17329 1 59 36 GLU . 17329 1 60 37 LEU . 17329 1 61 38 LEU . 17329 1 62 39 PRO . 17329 1 63 40 GLN . 17329 1 64 41 GLU . 17329 1 65 42 GLN . 17329 1 66 43 ARG . 17329 1 67 44 SER . 17329 1 68 45 VAL . 17329 1 69 46 GLU . 17329 1 70 47 SER . 17329 1 71 48 SER . 17329 1 72 49 LEU . 17329 1 73 50 ARG . 17329 1 74 51 ALA . 17329 1 75 52 GLN . 17329 1 76 53 VAL . 17329 1 77 54 PRO . 17329 1 78 55 PHE . 17329 1 79 56 GLU . 17329 1 80 57 GLN . 17329 1 81 58 ILE . 17329 1 82 59 LEU . 17329 1 83 60 SER . 17329 1 84 61 LEU . 17329 1 85 62 PRO . 17329 1 86 63 GLU . 17329 1 87 64 LEU . 17329 1 88 65 LYS . 17329 1 89 66 ALA . 17329 1 90 67 ASN . 17329 1 91 68 PRO . 17329 1 92 69 PHE . 17329 1 93 70 LYS . 17329 1 94 71 GLU . 17329 1 95 72 ARG . 17329 1 96 73 ILE . 17329 1 97 74 CYS . 17329 1 98 75 ARG . 17329 1 99 76 VAL . 17329 1 100 77 PHE . 17329 1 101 78 SER . 17329 1 102 79 THR . 17329 1 103 80 SER . 17329 1 104 81 PRO . 17329 1 105 82 ALA . 17329 1 106 83 LYS . 17329 1 107 84 ASP . 17329 1 108 85 SER . 17329 1 109 86 LEU . 17329 1 110 87 SER . 17329 1 111 88 PHE . 17329 1 112 89 GLU . 17329 1 113 90 ASP . 17329 1 114 91 PHE . 17329 1 115 92 LEU . 17329 1 116 93 ASP . 17329 1 117 94 LEU . 17329 1 118 95 LEU . 17329 1 119 96 SER . 17329 1 120 97 VAL . 17329 1 121 98 PHE . 17329 1 122 99 SER . 17329 1 123 100 ASP . 17329 1 124 101 THR . 17329 1 125 102 ALA . 17329 1 126 103 THR . 17329 1 127 104 PRO . 17329 1 128 105 ASP . 17329 1 129 106 ILE . 17329 1 130 107 LYS . 17329 1 131 108 SER . 17329 1 132 109 HIS . 17329 1 133 110 TYR . 17329 1 134 111 ALA . 17329 1 135 112 PHE . 17329 1 136 113 ARG . 17329 1 137 114 ILE . 17329 1 138 115 PHE . 17329 1 139 116 ASP . 17329 1 140 117 PHE . 17329 1 141 118 ASP . 17329 1 142 119 ASP . 17329 1 143 120 ASP . 17329 1 144 121 GLY . 17329 1 145 122 THR . 17329 1 146 123 LEU . 17329 1 147 124 ASN . 17329 1 148 125 ARG . 17329 1 149 126 GLU . 17329 1 150 127 ASP . 17329 1 151 128 LEU . 17329 1 152 129 SER . 17329 1 153 130 ARG . 17329 1 154 131 LEU . 17329 1 155 132 VAL . 17329 1 156 133 ASN . 17329 1 157 134 CYS . 17329 1 158 135 LEU . 17329 1 159 136 THR . 17329 1 160 137 GLY . 17329 1 161 138 GLU . 17329 1 162 139 GLY . 17329 1 163 140 GLU . 17329 1 164 141 ASP . 17329 1 165 142 THR . 17329 1 166 143 ARG . 17329 1 167 144 LEU . 17329 1 168 145 SER . 17329 1 169 146 ALA . 17329 1 170 147 SER . 17329 1 171 148 GLU . 17329 1 172 149 MET . 17329 1 173 150 LYS . 17329 1 174 151 GLN . 17329 1 175 152 LEU . 17329 1 176 153 ILE . 17329 1 177 154 ASP . 17329 1 178 155 ASN . 17329 1 179 156 ILE . 17329 1 180 157 LEU . 17329 1 181 158 GLU . 17329 1 182 159 GLU . 17329 1 183 160 SER . 17329 1 184 161 ASP . 17329 1 185 162 ILE . 17329 1 186 163 ASP . 17329 1 187 164 ARG . 17329 1 188 165 ASP . 17329 1 189 166 GLY . 17329 1 190 167 THR . 17329 1 191 168 ILE . 17329 1 192 169 ASN . 17329 1 193 170 LEU . 17329 1 194 171 SER . 17329 1 195 172 GLU . 17329 1 196 173 PHE . 17329 1 197 174 GLN . 17329 1 198 175 HIS . 17329 1 199 176 VAL . 17329 1 200 177 ILE . 17329 1 201 178 SER . 17329 1 202 179 ARG . 17329 1 203 180 SER . 17329 1 204 181 PRO . 17329 1 205 182 ASP . 17329 1 206 183 PHE . 17329 1 207 184 ALA . 17329 1 208 185 SER . 17329 1 209 186 SER . 17329 1 210 187 PHE . 17329 1 211 188 LYS . 17329 1 212 189 ILE . 17329 1 213 190 VAL . 17329 1 214 191 LEU . 17329 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17329 1 . GLY 2 2 17329 1 . HIS 3 3 17329 1 . HIS 4 4 17329 1 . HIS 5 5 17329 1 . HIS 6 6 17329 1 . HIS 7 7 17329 1 . HIS 8 8 17329 1 . HIS 9 9 17329 1 . HIS 10 10 17329 1 . HIS 11 11 17329 1 . HIS 12 12 17329 1 . SER 13 13 17329 1 . SER 14 14 17329 1 . GLY 15 15 17329 1 . HIS 16 16 17329 1 . ILE 17 17 17329 1 . ASP 18 18 17329 1 . ASP 19 19 17329 1 . ASP 20 20 17329 1 . ASP 21 21 17329 1 . LYS 22 22 17329 1 . HIS 23 23 17329 1 . MET 24 24 17329 1 . GLY 25 25 17329 1 . GLY 26 26 17329 1 . SER 27 27 17329 1 . GLY 28 28 17329 1 . SER 29 29 17329 1 . ARG 30 30 17329 1 . LEU 31 31 17329 1 . SER 32 32 17329 1 . LYS 33 33 17329 1 . GLU 34 34 17329 1 . LEU 35 35 17329 1 . LEU 36 36 17329 1 . ALA 37 37 17329 1 . GLU 38 38 17329 1 . TYR 39 39 17329 1 . GLN 40 40 17329 1 . ASP 41 41 17329 1 . LEU 42 42 17329 1 . THR 43 43 17329 1 . PHE 44 44 17329 1 . LEU 45 45 17329 1 . THR 46 46 17329 1 . LYS 47 47 17329 1 . GLN 48 48 17329 1 . GLU 49 49 17329 1 . ILE 50 50 17329 1 . LEU 51 51 17329 1 . LEU 52 52 17329 1 . ALA 53 53 17329 1 . HIS 54 54 17329 1 . ARG 55 55 17329 1 . ARG 56 56 17329 1 . PHE 57 57 17329 1 . CYS 58 58 17329 1 . GLU 59 59 17329 1 . LEU 60 60 17329 1 . LEU 61 61 17329 1 . PRO 62 62 17329 1 . GLN 63 63 17329 1 . GLU 64 64 17329 1 . GLN 65 65 17329 1 . ARG 66 66 17329 1 . SER 67 67 17329 1 . VAL 68 68 17329 1 . GLU 69 69 17329 1 . SER 70 70 17329 1 . SER 71 71 17329 1 . LEU 72 72 17329 1 . ARG 73 73 17329 1 . ALA 74 74 17329 1 . GLN 75 75 17329 1 . VAL 76 76 17329 1 . PRO 77 77 17329 1 . PHE 78 78 17329 1 . GLU 79 79 17329 1 . GLN 80 80 17329 1 . ILE 81 81 17329 1 . LEU 82 82 17329 1 . SER 83 83 17329 1 . LEU 84 84 17329 1 . PRO 85 85 17329 1 . GLU 86 86 17329 1 . LEU 87 87 17329 1 . LYS 88 88 17329 1 . ALA 89 89 17329 1 . ASN 90 90 17329 1 . PRO 91 91 17329 1 . PHE 92 92 17329 1 . LYS 93 93 17329 1 . GLU 94 94 17329 1 . ARG 95 95 17329 1 . ILE 96 96 17329 1 . CYS 97 97 17329 1 . ARG 98 98 17329 1 . VAL 99 99 17329 1 . PHE 100 100 17329 1 . SER 101 101 17329 1 . THR 102 102 17329 1 . SER 103 103 17329 1 . PRO 104 104 17329 1 . ALA 105 105 17329 1 . LYS 106 106 17329 1 . ASP 107 107 17329 1 . SER 108 108 17329 1 . LEU 109 109 17329 1 . SER 110 110 17329 1 . PHE 111 111 17329 1 . GLU 112 112 17329 1 . ASP 113 113 17329 1 . PHE 114 114 17329 1 . LEU 115 115 17329 1 . ASP 116 116 17329 1 . LEU 117 117 17329 1 . LEU 118 118 17329 1 . SER 119 119 17329 1 . VAL 120 120 17329 1 . PHE 121 121 17329 1 . SER 122 122 17329 1 . ASP 123 123 17329 1 . THR 124 124 17329 1 . ALA 125 125 17329 1 . THR 126 126 17329 1 . PRO 127 127 17329 1 . ASP 128 128 17329 1 . ILE 129 129 17329 1 . LYS 130 130 17329 1 . SER 131 131 17329 1 . HIS 132 132 17329 1 . TYR 133 133 17329 1 . ALA 134 134 17329 1 . PHE 135 135 17329 1 . ARG 136 136 17329 1 . ILE 137 137 17329 1 . PHE 138 138 17329 1 . ASP 139 139 17329 1 . PHE 140 140 17329 1 . ASP 141 141 17329 1 . ASP 142 142 17329 1 . ASP 143 143 17329 1 . GLY 144 144 17329 1 . THR 145 145 17329 1 . LEU 146 146 17329 1 . ASN 147 147 17329 1 . ARG 148 148 17329 1 . GLU 149 149 17329 1 . ASP 150 150 17329 1 . LEU 151 151 17329 1 . SER 152 152 17329 1 . ARG 153 153 17329 1 . LEU 154 154 17329 1 . VAL 155 155 17329 1 . ASN 156 156 17329 1 . CYS 157 157 17329 1 . LEU 158 158 17329 1 . THR 159 159 17329 1 . GLY 160 160 17329 1 . GLU 161 161 17329 1 . GLY 162 162 17329 1 . GLU 163 163 17329 1 . ASP 164 164 17329 1 . THR 165 165 17329 1 . ARG 166 166 17329 1 . LEU 167 167 17329 1 . SER 168 168 17329 1 . ALA 169 169 17329 1 . SER 170 170 17329 1 . GLU 171 171 17329 1 . MET 172 172 17329 1 . LYS 173 173 17329 1 . GLN 174 174 17329 1 . LEU 175 175 17329 1 . ILE 176 176 17329 1 . ASP 177 177 17329 1 . ASN 178 178 17329 1 . ILE 179 179 17329 1 . LEU 180 180 17329 1 . GLU 181 181 17329 1 . GLU 182 182 17329 1 . SER 183 183 17329 1 . ASP 184 184 17329 1 . ILE 185 185 17329 1 . ASP 186 186 17329 1 . ARG 187 187 17329 1 . ASP 188 188 17329 1 . GLY 189 189 17329 1 . THR 190 190 17329 1 . ILE 191 191 17329 1 . ASN 192 192 17329 1 . LEU 193 193 17329 1 . SER 194 194 17329 1 . GLU 195 195 17329 1 . PHE 196 196 17329 1 . GLN 197 197 17329 1 . HIS 198 198 17329 1 . VAL 199 199 17329 1 . ILE 200 200 17329 1 . SER 201 201 17329 1 . ARG 202 202 17329 1 . SER 203 203 17329 1 . PRO 204 204 17329 1 . ASP 205 205 17329 1 . PHE 206 206 17329 1 . ALA 207 207 17329 1 . SER 208 208 17329 1 . SER 209 209 17329 1 . PHE 210 210 17329 1 . LYS 211 211 17329 1 . ILE 212 212 17329 1 . VAL 213 213 17329 1 . LEU 214 214 17329 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17329 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 17329 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 17329 _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 $CIB1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens E.coli . . . . . . . . . . . . . . . . . . . . 17329 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 17329 _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 $CIB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET19b . . . . . . 17329 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 17329 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _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 . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; _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 BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 17329 CA [Ca++] SMILES CACTVS 3.341 17329 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17329 CA [Ca+2] SMILES ACDLabs 10.04 17329 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17329 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17329 CA InChI=1/Ca/q+2 InChI InChI 1.02b 17329 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 17329 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17329 CA 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 CA . CA . . CA . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17329 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CIB1_for_backbone_RDC _Sample.Sf_category sample _Sample.Sf_framecode CIB1_for_backbone_RDC _Sample.Entry_ID 17329 _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 CIB1 '[U-13C; U-15N; U-2H]' . . 1 $CIB1 . . 0.5 . . mM . . . . 17329 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 17329 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17329 1 4 'calcium cloride' 'natural abundance' . . . . . . 4 . . mM . . . . 17329 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17329 1 6 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/mL . . . . 17329 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17329 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17329 1 stop_ save_ save_CIB1_with_I_L_V_methyl_labeled _Sample.Sf_category sample _Sample.Sf_framecode CIB1_with_I_L_V_methyl_labeled _Sample.Entry_ID 17329 _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 CIB1 'I/L/V methyl 13C and 1H, [U,2H]' . . 1 $CIB1 . . 0.5 . . mM . . . . 17329 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 17329 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17329 2 4 'calcium chloride' 'natural abundance' . . . . . . 4 . . mM . . . . 17329 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17329 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17329 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17329 2 stop_ save_ save_CIB1_for_backbone_assignment _Sample.Sf_category sample _Sample.Sf_framecode CIB1_for_backbone_assignment _Sample.Entry_ID 17329 _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 CIB1 '[U-13C; U-15N; U-2H]' . . 1 $CIB1 . . 0.5 . . mM . . . . 17329 3 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 17329 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17329 3 4 'calcium cloride' 'natural abundance' . . . . . . 4 . . mM . . . . 17329 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17329 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17329 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17329 3 stop_ save_ save_CIB1_for_methyl_assignment _Sample.Sf_category sample _Sample.Sf_framecode CIB1_for_methyl_assignment _Sample.Entry_ID 17329 _Sample.ID 4 _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 CIB1 '[U-13C; U-2H]-I/L/V methyl' . . 1 $CIB1 . . 0.5 . . mM . . . . 17329 4 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 17329 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17329 4 4 'calcium cloride' 'natural abundance' . . . . . . 4 . . mM . . . . 17329 4 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17329 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17329 4 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 17329 _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' 200 . mM 17329 1 pH 7.5 . pH 17329 1 pressure 1 . atm 17329 1 temperature 310 . K 17329 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17329 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17329 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17329 1 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 17329 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17329 _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 . 700 . . . 17329 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 17329 _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 IPAP' no . . . . . . . . . . 1 $CIB1_for_backbone_RDC anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 2 '3D HNCO type for CaCO and C'N RDC' no . . . . . . . . . . 1 $CIB1_for_backbone_RDC anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $CIB1_with_I_L_V_methyl_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $CIB1_with_I_L_V_methyl_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 5 '3D HNCO' no . . . . . . . . . . 3 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 6 '3D HN(CA)CO' no . . . . . . . . . . 3 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 7 '3D HNCACB' no . . . . . . . . . . 3 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $CIB1_for_methyl_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17329 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 17329 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17329 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17329 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17329 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 17329 _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 5 '3D HNCO' . . . 17329 1 6 '3D HN(CA)CO' . . . 17329 1 7 '3D HNCACB' . . . 17329 1 8 '3D CBCA(CO)NH' . . . 17329 1 9 '3D HCCH-TOCSY' . . . 17329 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 30 30 ARG C C 13 175.770 0.2 . 1 . . . . 7 R C . 17329 1 2 . 1 1 30 30 ARG CA C 13 54.783 0.2 . 1 . . . . 7 R CA . 17329 1 3 . 1 1 30 30 ARG CB C 13 31.143 0.2 . 1 . . . . 7 R CB . 17329 1 4 . 1 1 31 31 LEU H H 1 7.986 0.01 . 1 . . . . 8 L HN . 17329 1 5 . 1 1 31 31 LEU HD11 H 1 0.642 0.01 . 4 . . . . 8 L HD11 . 17329 1 6 . 1 1 31 31 LEU HD12 H 1 0.642 0.01 . 4 . . . . 8 L HD11 . 17329 1 7 . 1 1 31 31 LEU HD13 H 1 0.642 0.01 . 4 . . . . 8 L HD11 . 17329 1 8 . 1 1 31 31 LEU HD21 H 1 0.276 0.01 . 4 . . . . 8 L HD21 . 17329 1 9 . 1 1 31 31 LEU HD22 H 1 0.276 0.01 . 4 . . . . 8 L HD21 . 17329 1 10 . 1 1 31 31 LEU HD23 H 1 0.276 0.01 . 4 . . . . 8 L HD21 . 17329 1 11 . 1 1 31 31 LEU C C 13 176.033 0.2 . 1 . . . . 8 L C . 17329 1 12 . 1 1 31 31 LEU CA C 13 55.169 0.2 . 1 . . . . 8 L CA . 17329 1 13 . 1 1 31 31 LEU CB C 13 41.846 0.2 . 1 . . . . 8 L CB . 17329 1 14 . 1 1 31 31 LEU CD1 C 13 23.977 0.2 . 2 . . . . 8 L CD1 . 17329 1 15 . 1 1 31 31 LEU CD2 C 13 21.376 0.2 . 2 . . . . 8 L CD2 . 17329 1 16 . 1 1 31 31 LEU N N 15 121.885 0.1 . 1 . . . . 8 L N . 17329 1 17 . 1 1 32 32 SER H H 1 7.686 0.01 . 1 . . . . 9 S HN . 17329 1 18 . 1 1 32 32 SER C C 13 174.555 0.2 . 1 . . . . 9 S C . 17329 1 19 . 1 1 32 32 SER CA C 13 57.117 0.2 . 1 . . . . 9 S CA . 17329 1 20 . 1 1 32 32 SER CB C 13 64.851 0.2 . 1 . . . . 9 S CB . 17329 1 21 . 1 1 32 32 SER N N 15 117.135 0.1 . 1 . . . . 9 S N . 17329 1 22 . 1 1 33 33 LYS C C 13 178.890 0.2 . 1 . . . . 10 K C . 17329 1 23 . 1 1 33 33 LYS CA C 13 58.947 0.2 . 1 . . . . 10 K CA . 17329 1 24 . 1 1 33 33 LYS CB C 13 31.222 0.2 . 1 . . . . 10 K CB . 17329 1 25 . 1 1 34 34 GLU H H 1 8.823 0.01 . 1 . . . . 11 E HN . 17329 1 26 . 1 1 34 34 GLU C C 13 178.936 0.2 . 1 . . . . 11 E C . 17329 1 27 . 1 1 34 34 GLU CA C 13 59.551 0.2 . 1 . . . . 11 E CA . 17329 1 28 . 1 1 34 34 GLU CB C 13 27.963 0.2 . 1 . . . . 11 E CB . 17329 1 29 . 1 1 34 34 GLU N N 15 120.252 0.1 . 1 . . . . 11 E N . 17329 1 30 . 1 1 35 35 LEU H H 1 7.642 0.01 . 1 . . . . 12 L HN . 17329 1 31 . 1 1 35 35 LEU HD11 H 1 0.793 0.01 . 4 . . . . 12 L HD11 . 17329 1 32 . 1 1 35 35 LEU HD12 H 1 0.793 0.01 . 4 . . . . 12 L HD11 . 17329 1 33 . 1 1 35 35 LEU HD13 H 1 0.793 0.01 . 4 . . . . 12 L HD11 . 17329 1 34 . 1 1 35 35 LEU HD21 H 1 0.818 0.01 . 4 . . . . 12 L HD21 . 17329 1 35 . 1 1 35 35 LEU HD22 H 1 0.818 0.01 . 4 . . . . 12 L HD21 . 17329 1 36 . 1 1 35 35 LEU HD23 H 1 0.818 0.01 . 4 . . . . 12 L HD21 . 17329 1 37 . 1 1 35 35 LEU C C 13 178.598 0.2 . 1 . . . . 12 L C . 17329 1 38 . 1 1 35 35 LEU CA C 13 57.047 0.2 . 1 . . . . 12 L CA . 17329 1 39 . 1 1 35 35 LEU CB C 13 41.071 0.2 . 1 . . . . 12 L CB . 17329 1 40 . 1 1 35 35 LEU CD1 C 13 23.105 0.2 . 2 . . . . 12 L CD1 . 17329 1 41 . 1 1 35 35 LEU CD2 C 13 22.200 0.2 . 2 . . . . 12 L CD2 . 17329 1 42 . 1 1 35 35 LEU N N 15 122.924 0.1 . 1 . . . . 12 L N . 17329 1 43 . 1 1 36 36 LEU H H 1 8.309 0.01 . 1 . . . . 13 L HN . 17329 1 44 . 1 1 36 36 LEU HD11 H 1 0.875 0.01 . 4 . . . . 13 L HD11 . 17329 1 45 . 1 1 36 36 LEU HD12 H 1 0.875 0.01 . 4 . . . . 13 L HD11 . 17329 1 46 . 1 1 36 36 LEU HD13 H 1 0.875 0.01 . 4 . . . . 13 L HD11 . 17329 1 47 . 1 1 36 36 LEU HD21 H 1 0.899 0.01 . 4 . . . . 13 L HD21 . 17329 1 48 . 1 1 36 36 LEU HD22 H 1 0.899 0.01 . 4 . . . . 13 L HD21 . 17329 1 49 . 1 1 36 36 LEU HD23 H 1 0.899 0.01 . 4 . . . . 13 L HD21 . 17329 1 50 . 1 1 36 36 LEU C C 13 178.554 0.2 . 1 . . . . 13 L C . 17329 1 51 . 1 1 36 36 LEU CA C 13 57.747 0.2 . 1 . . . . 13 L CA . 17329 1 52 . 1 1 36 36 LEU CB C 13 41.098 0.2 . 1 . . . . 13 L CB . 17329 1 53 . 1 1 36 36 LEU CD1 C 13 23.393 0.2 . 2 . . . . 13 L CD1 . 17329 1 54 . 1 1 36 36 LEU CD2 C 13 22.561 0.2 . 2 . . . . 13 L CD2 . 17329 1 55 . 1 1 36 36 LEU N N 15 118.619 0.1 . 1 . . . . 13 L N . 17329 1 56 . 1 1 37 37 ALA H H 1 7.708 0.01 . 1 . . . . 14 A HN . 17329 1 57 . 1 1 37 37 ALA C C 13 179.931 0.2 . 1 . . . . 14 A C . 17329 1 58 . 1 1 37 37 ALA CA C 13 54.566 0.2 . 1 . . . . 14 A CA . 17329 1 59 . 1 1 37 37 ALA CB C 13 17.370 0.2 . 1 . . . . 14 A CB . 17329 1 60 . 1 1 37 37 ALA N N 15 120.252 0.1 . 1 . . . . 14 A N . 17329 1 61 . 1 1 38 38 GLU H H 1 7.529 0.01 . 1 . . . . 15 E HN . 17329 1 62 . 1 1 38 38 GLU C C 13 179.317 0.2 . 1 . . . . 15 E C . 17329 1 63 . 1 1 38 38 GLU CA C 13 58.691 0.2 . 1 . . . . 15 E CA . 17329 1 64 . 1 1 38 38 GLU CB C 13 28.457 0.2 . 1 . . . . 15 E CB . 17329 1 65 . 1 1 38 38 GLU N N 15 119.658 0.1 . 1 . . . . 15 E N . 17329 1 66 . 1 1 39 39 TYR H H 1 8.232 0.01 . 1 . . . . 16 Y HN . 17329 1 67 . 1 1 39 39 TYR C C 13 179.056 0.2 . 1 . . . . 16 Y C . 17329 1 68 . 1 1 39 39 TYR CA C 13 59.999 0.2 . 1 . . . . 16 Y CA . 17329 1 69 . 1 1 39 39 TYR CB C 13 37.399 0.2 . 1 . . . . 16 Y CB . 17329 1 70 . 1 1 39 39 TYR N N 15 117.135 0.1 . 1 . . . . 16 Y N . 17329 1 71 . 1 1 40 40 GLN H H 1 8.389 0.01 . 1 . . . . 17 Q HN . 17329 1 72 . 1 1 40 40 GLN C C 13 176.879 0.2 . 1 . . . . 17 Q C . 17329 1 73 . 1 1 40 40 GLN CA C 13 58.992 0.2 . 1 . . . . 17 Q CA . 17329 1 74 . 1 1 40 40 GLN CB C 13 28.670 0.2 . 1 . . . . 17 Q CB . 17329 1 75 . 1 1 40 40 GLN N N 15 122.033 0.1 . 1 . . . . 17 Q N . 17329 1 76 . 1 1 41 41 ASP H H 1 7.501 0.01 . 1 . . . . 18 D HN . 17329 1 77 . 1 1 41 41 ASP C C 13 177.530 0.2 . 1 . . . . 18 D C . 17329 1 78 . 1 1 41 41 ASP CA C 13 55.974 0.2 . 1 . . . . 18 D CA . 17329 1 79 . 1 1 41 41 ASP CB C 13 40.557 0.2 . 1 . . . . 18 D CB . 17329 1 80 . 1 1 41 41 ASP N N 15 118.025 0.1 . 1 . . . . 18 D N . 17329 1 81 . 1 1 42 42 LEU H H 1 7.462 0.01 . 1 . . . . 19 L HN . 17329 1 82 . 1 1 42 42 LEU HD11 H 1 0.882 0.01 . 4 . . . . 19 L HD11 . 17329 1 83 . 1 1 42 42 LEU HD12 H 1 0.882 0.01 . 4 . . . . 19 L HD11 . 17329 1 84 . 1 1 42 42 LEU HD13 H 1 0.882 0.01 . 4 . . . . 19 L HD11 . 17329 1 85 . 1 1 42 42 LEU HD21 H 1 0.848 0.01 . 4 . . . . 19 L HD21 . 17329 1 86 . 1 1 42 42 LEU HD22 H 1 0.848 0.01 . 4 . . . . 19 L HD21 . 17329 1 87 . 1 1 42 42 LEU HD23 H 1 0.848 0.01 . 4 . . . . 19 L HD21 . 17329 1 88 . 1 1 42 42 LEU C C 13 177.009 0.2 . 1 . . . . 19 L C . 17329 1 89 . 1 1 42 42 LEU CA C 13 55.572 0.2 . 1 . . . . 19 L CA . 17329 1 90 . 1 1 42 42 LEU CB C 13 43.136 0.2 . 1 . . . . 19 L CB . 17329 1 91 . 1 1 42 42 LEU CD1 C 13 23.417 0.2 . 2 . . . . 19 L CD1 . 17329 1 92 . 1 1 42 42 LEU CD2 C 13 20.921 0.2 . 2 . . . . 19 L CD2 . 17329 1 93 . 1 1 42 42 LEU N N 15 117.729 0.1 . 1 . . . . 19 L N . 17329 1 94 . 1 1 43 43 THR H H 1 7.360 0.01 . 1 . . . . 20 T HN . 17329 1 95 . 1 1 43 43 THR C C 13 173.187 0.2 . 1 . . . . 20 T C . 17329 1 96 . 1 1 43 43 THR CA C 13 60.200 0.2 . 1 . . . . 20 T CA . 17329 1 97 . 1 1 43 43 THR CB C 13 72.191 0.2 . 1 . . . . 20 T CB . 17329 1 98 . 1 1 43 43 THR N N 15 109.416 0.1 . 1 . . . . 20 T N . 17329 1 99 . 1 1 44 44 PHE H H 1 8.133 0.01 . 1 . . . . 21 F HN . 17329 1 100 . 1 1 44 44 PHE C C 13 175.576 0.2 . 1 . . . . 21 F C . 17329 1 101 . 1 1 44 44 PHE CA C 13 57.406 0.2 . 1 . . . . 21 F CA . 17329 1 102 . 1 1 44 44 PHE CB C 13 37.161 0.2 . 1 . . . . 21 F CB . 17329 1 103 . 1 1 44 44 PHE N N 15 117.283 0.1 . 1 . . . . 21 F N . 17329 1 104 . 1 1 45 45 LEU H H 1 7.411 0.01 . 1 . . . . 22 L HN . 17329 1 105 . 1 1 45 45 LEU HD11 H 1 0.711 0.01 . 4 . . . . 22 L HD11 . 17329 1 106 . 1 1 45 45 LEU HD12 H 1 0.711 0.01 . 4 . . . . 22 L HD11 . 17329 1 107 . 1 1 45 45 LEU HD13 H 1 0.711 0.01 . 4 . . . . 22 L HD11 . 17329 1 108 . 1 1 45 45 LEU HD21 H 1 0.756 0.01 . 4 . . . . 22 L HD21 . 17329 1 109 . 1 1 45 45 LEU HD22 H 1 0.756 0.01 . 4 . . . . 22 L HD21 . 17329 1 110 . 1 1 45 45 LEU HD23 H 1 0.756 0.01 . 4 . . . . 22 L HD21 . 17329 1 111 . 1 1 45 45 LEU C C 13 177.158 0.2 . 1 . . . . 22 L C . 17329 1 112 . 1 1 45 45 LEU CA C 13 53.862 0.2 . 1 . . . . 22 L CA . 17329 1 113 . 1 1 45 45 LEU CB C 13 43.198 0.2 . 1 . . . . 22 L CB . 17329 1 114 . 1 1 45 45 LEU CD1 C 13 24.632 0.2 . 2 . . . . 22 L CD1 . 17329 1 115 . 1 1 45 45 LEU CD2 C 13 20.442 0.2 . 2 . . . . 22 L CD2 . 17329 1 116 . 1 1 45 45 LEU N N 15 119.658 0.1 . 1 . . . . 22 L N . 17329 1 117 . 1 1 46 46 THR H H 1 8.893 0.01 . 1 . . . . 23 T HN . 17329 1 118 . 1 1 46 46 THR C C 13 175.911 0.2 . 1 . . . . 23 T C . 17329 1 119 . 1 1 46 46 THR CA C 13 60.401 0.2 . 1 . . . . 23 T CA . 17329 1 120 . 1 1 46 46 THR CB C 13 71.245 0.2 . 1 . . . . 23 T CB . 17329 1 121 . 1 1 46 46 THR N N 15 111.494 0.1 . 1 . . . . 23 T N . 17329 1 122 . 1 1 47 47 LYS H H 1 8.594 0.01 . 1 . . . . 24 K HN . 17329 1 123 . 1 1 47 47 LYS C C 13 178.014 0.2 . 1 . . . . 24 K C . 17329 1 124 . 1 1 47 47 LYS CA C 13 60.401 0.2 . 1 . . . . 24 K CA . 17329 1 125 . 1 1 47 47 LYS CB C 13 31.326 0.2 . 1 . . . . 24 K CB . 17329 1 126 . 1 1 47 47 LYS N N 15 120.252 0.1 . 1 . . . . 24 K N . 17329 1 127 . 1 1 48 48 GLN H H 1 8.366 0.01 . 1 . . . . 25 Q HN . 17329 1 128 . 1 1 48 48 GLN C C 13 178.982 0.2 . 1 . . . . 25 Q C . 17329 1 129 . 1 1 48 48 GLN CA C 13 59.093 0.2 . 1 . . . . 25 Q CA . 17329 1 130 . 1 1 48 48 GLN CB C 13 27.352 0.2 . 1 . . . . 25 Q CB . 17329 1 131 . 1 1 48 48 GLN N N 15 116.393 0.1 . 1 . . . . 25 Q N . 17329 1 132 . 1 1 49 49 GLU H H 1 7.684 0.01 . 1 . . . . 26 E HN . 17329 1 133 . 1 1 49 49 GLU C C 13 179.335 0.2 . 1 . . . . 26 E C . 17329 1 134 . 1 1 49 49 GLU CA C 13 59.194 0.2 . 1 . . . . 26 E CA . 17329 1 135 . 1 1 49 49 GLU CB C 13 30.226 0.2 . 1 . . . . 26 E CB . 17329 1 136 . 1 1 49 49 GLU N N 15 120.104 0.1 . 1 . . . . 26 E N . 17329 1 137 . 1 1 50 50 ILE H H 1 8.283 0.01 . 1 . . . . 27 I HN . 17329 1 138 . 1 1 50 50 ILE HD11 H 1 0.828 0.01 . 1 . . . . 27 I HD11 . 17329 1 139 . 1 1 50 50 ILE HD12 H 1 0.828 0.01 . 1 . . . . 27 I HD11 . 17329 1 140 . 1 1 50 50 ILE HD13 H 1 0.828 0.01 . 1 . . . . 27 I HD11 . 17329 1 141 . 1 1 50 50 ILE C C 13 177.623 0.2 . 1 . . . . 27 I C . 17329 1 142 . 1 1 50 50 ILE CA C 13 65.331 0.2 . 1 . . . . 27 I CA . 17329 1 143 . 1 1 50 50 ILE CB C 13 37.173 0.2 . 1 . . . . 27 I CB . 17329 1 144 . 1 1 50 50 ILE CD1 C 13 11.388 0.2 . 1 . . . . 27 I CD1 . 17329 1 145 . 1 1 50 50 ILE N N 15 122.627 0.1 . 1 . . . . 27 I N . 17329 1 146 . 1 1 51 51 LEU H H 1 8.155 0.01 . 1 . . . . 28 L HN . 17329 1 147 . 1 1 51 51 LEU HD11 H 1 0.957 0.01 . 4 . . . . 28 L HD11 . 17329 1 148 . 1 1 51 51 LEU HD12 H 1 0.957 0.01 . 4 . . . . 28 L HD11 . 17329 1 149 . 1 1 51 51 LEU HD13 H 1 0.957 0.01 . 4 . . . . 28 L HD11 . 17329 1 150 . 1 1 51 51 LEU HD21 H 1 1.030 0.01 . 4 . . . . 28 L HD21 . 17329 1 151 . 1 1 51 51 LEU HD22 H 1 1.030 0.01 . 4 . . . . 28 L HD21 . 17329 1 152 . 1 1 51 51 LEU HD23 H 1 1.030 0.01 . 4 . . . . 28 L HD21 . 17329 1 153 . 1 1 51 51 LEU C C 13 180.471 0.2 . 1 . . . . 28 L C . 17329 1 154 . 1 1 51 51 LEU CA C 13 58.087 0.2 . 1 . . . . 28 L CA . 17329 1 155 . 1 1 51 51 LEU CB C 13 40.834 0.2 . 1 . . . . 28 L CB . 17329 1 156 . 1 1 51 51 LEU CD1 C 13 23.737 0.2 . 2 . . . . 28 L CD1 . 17329 1 157 . 1 1 51 51 LEU CD2 C 13 22.072 0.2 . 2 . . . . 28 L CD2 . 17329 1 158 . 1 1 51 51 LEU N N 15 120.400 0.1 . 1 . . . . 28 L N . 17329 1 159 . 1 1 52 52 LEU H H 1 8.026 0.01 . 1 . . . . 29 L HN . 17329 1 160 . 1 1 52 52 LEU HD11 H 1 0.982 0.01 . 4 . . . . 29 L HD11 . 17329 1 161 . 1 1 52 52 LEU HD12 H 1 0.982 0.01 . 4 . . . . 29 L HD11 . 17329 1 162 . 1 1 52 52 LEU HD13 H 1 0.982 0.01 . 4 . . . . 29 L HD11 . 17329 1 163 . 1 1 52 52 LEU HD21 H 1 0.951 0.01 . 4 . . . . 29 L HD21 . 17329 1 164 . 1 1 52 52 LEU HD22 H 1 0.951 0.01 . 4 . . . . 29 L HD21 . 17329 1 165 . 1 1 52 52 LEU HD23 H 1 0.951 0.01 . 4 . . . . 29 L HD21 . 17329 1 166 . 1 1 52 52 LEU C C 13 178.665 0.2 . 1 . . . . 29 L C . 17329 1 167 . 1 1 52 52 LEU CA C 13 57.685 0.2 . 1 . . . . 29 L CA . 17329 1 168 . 1 1 52 52 LEU CB C 13 40.732 0.2 . 1 . . . . 29 L CB . 17329 1 169 . 1 1 52 52 LEU CD1 C 13 21.882 0.2 . 2 . . . . 29 L CD1 . 17329 1 170 . 1 1 52 52 LEU CD2 C 13 23.066 0.2 . 2 . . . . 29 L CD2 . 17329 1 171 . 1 1 52 52 LEU N N 15 122.033 0.1 . 1 . . . . 29 L N . 17329 1 172 . 1 1 53 53 ALA H H 1 8.441 0.01 . 1 . . . . 30 A HN . 17329 1 173 . 1 1 53 53 ALA C C 13 179.671 0.2 . 1 . . . . 30 A C . 17329 1 174 . 1 1 53 53 ALA CA C 13 55.069 0.2 . 1 . . . . 30 A CA . 17329 1 175 . 1 1 53 53 ALA CB C 13 17.958 0.2 . 1 . . . . 30 A CB . 17329 1 176 . 1 1 53 53 ALA N N 15 122.330 0.1 . 1 . . . . 30 A N . 17329 1 177 . 1 1 54 54 HIS H H 1 8.814 0.01 . 1 . . . . 31 H HN . 17329 1 178 . 1 1 54 54 HIS C C 13 177.400 0.2 . 1 . . . . 31 H C . 17329 1 179 . 1 1 54 54 HIS CA C 13 61.809 0.2 . 1 . . . . 31 H CA . 17329 1 180 . 1 1 54 54 HIS CB C 13 30.699 0.2 . 1 . . . . 31 H CB . 17329 1 181 . 1 1 54 54 HIS N N 15 118.471 0.1 . 1 . . . . 31 H N . 17329 1 182 . 1 1 55 55 ARG H H 1 8.043 0.01 . 1 . . . . 32 R HN . 17329 1 183 . 1 1 55 55 ARG C C 13 179.298 0.2 . 1 . . . . 32 R C . 17329 1 184 . 1 1 55 55 ARG CA C 13 59.624 0.2 . 1 . . . . 32 R CA . 17329 1 185 . 1 1 55 55 ARG CB C 13 29.032 0.2 . 1 . . . . 32 R CB . 17329 1 186 . 1 1 55 55 ARG N N 15 120.994 0.1 . 1 . . . . 32 R N . 17329 1 187 . 1 1 56 56 ARG H H 1 8.380 0.01 . 1 . . . . 33 R HN . 17329 1 188 . 1 1 56 56 ARG C C 13 178.544 0.2 . 1 . . . . 33 R C . 17329 1 189 . 1 1 56 56 ARG CA C 13 57.496 0.2 . 1 . . . . 33 R CA . 17329 1 190 . 1 1 56 56 ARG CB C 13 28.628 0.2 . 1 . . . . 33 R CB . 17329 1 191 . 1 1 56 56 ARG N N 15 117.877 0.1 . 1 . . . . 33 R N . 17329 1 192 . 1 1 57 57 PHE H H 1 8.730 0.01 . 1 . . . . 34 F HN . 17329 1 193 . 1 1 57 57 PHE C C 13 177.354 0.2 . 1 . . . . 34 F C . 17329 1 194 . 1 1 57 57 PHE CA C 13 61.467 0.2 . 1 . . . . 34 F CA . 17329 1 195 . 1 1 57 57 PHE CB C 13 39.728 0.2 . 1 . . . . 34 F CB . 17329 1 196 . 1 1 57 57 PHE N N 15 120.994 0.1 . 1 . . . . 34 F N . 17329 1 197 . 1 1 58 58 CYS H H 1 8.212 0.01 . 1 . . . . 35 C HN . 17329 1 198 . 1 1 58 58 CYS C C 13 176.900 0.2 . 1 . . . . 35 C C . 17329 1 199 . 1 1 58 58 CYS CA C 13 63.812 0.2 . 1 . . . . 35 C CA . 17329 1 200 . 1 1 58 58 CYS CB C 13 26.632 0.2 . 1 . . . . 35 C CB . 17329 1 201 . 1 1 58 58 CYS N N 15 114.166 0.1 . 1 . . . . 35 C N . 17329 1 202 . 1 1 59 59 GLU H H 1 7.281 0.01 . 1 . . . . 36 E HN . 17329 1 203 . 1 1 59 59 GLU C C 13 177.241 0.2 . 1 . . . . 36 E C . 17329 1 204 . 1 1 59 59 GLU CA C 13 57.986 0.2 . 1 . . . . 36 E CA . 17329 1 205 . 1 1 59 59 GLU CB C 13 28.689 0.2 . 1 . . . . 36 E CB . 17329 1 206 . 1 1 59 59 GLU N N 15 117.135 0.1 . 1 . . . . 36 E N . 17329 1 207 . 1 1 60 60 LEU H H 1 7.241 0.01 . 1 . . . . 37 L HN . 17329 1 208 . 1 1 60 60 LEU HD11 H 1 0.567 0.01 . 4 . . . . 37 L HD11 . 17329 1 209 . 1 1 60 60 LEU HD12 H 1 0.567 0.01 . 4 . . . . 37 L HD11 . 17329 1 210 . 1 1 60 60 LEU HD13 H 1 0.567 0.01 . 4 . . . . 37 L HD11 . 17329 1 211 . 1 1 60 60 LEU HD21 H 1 0.692 0.01 . 4 . . . . 37 L HD21 . 17329 1 212 . 1 1 60 60 LEU HD22 H 1 0.692 0.01 . 4 . . . . 37 L HD21 . 17329 1 213 . 1 1 60 60 LEU HD23 H 1 0.692 0.01 . 4 . . . . 37 L HD21 . 17329 1 214 . 1 1 60 60 LEU C C 13 176.735 0.2 . 1 . . . . 37 L C . 17329 1 215 . 1 1 60 60 LEU CA C 13 54.157 0.2 . 1 . . . . 37 L CA . 17329 1 216 . 1 1 60 60 LEU CB C 13 40.800 0.2 . 1 . . . . 37 L CB . 17329 1 217 . 1 1 60 60 LEU CD1 C 13 24.125 0.2 . 2 . . . . 37 L CD1 . 17329 1 218 . 1 1 60 60 LEU CD2 C 13 19.858 0.2 . 2 . . . . 37 L CD2 . 17329 1 219 . 1 1 60 60 LEU N N 15 116.541 0.1 . 1 . . . . 37 L N . 17329 1 220 . 1 1 61 61 LEU H H 1 7.126 0.01 . 1 . . . . 38 L HN . 17329 1 221 . 1 1 61 61 LEU HD11 H 1 0.757 0.01 . 4 . . . . 38 L HD11 . 17329 1 222 . 1 1 61 61 LEU HD12 H 1 0.757 0.01 . 4 . . . . 38 L HD11 . 17329 1 223 . 1 1 61 61 LEU HD13 H 1 0.757 0.01 . 4 . . . . 38 L HD11 . 17329 1 224 . 1 1 61 61 LEU HD21 H 1 0.493 0.01 . 4 . . . . 38 L HD21 . 17329 1 225 . 1 1 61 61 LEU HD22 H 1 0.493 0.01 . 4 . . . . 38 L HD21 . 17329 1 226 . 1 1 61 61 LEU HD23 H 1 0.493 0.01 . 4 . . . . 38 L HD21 . 17329 1 227 . 1 1 61 61 LEU C C 13 174.721 0.2 . 1 . . . . 38 L C . 17329 1 228 . 1 1 61 61 LEU CA C 13 51.731 0.2 . 1 . . . . 38 L CA . 17329 1 229 . 1 1 61 61 LEU CB C 13 40.668 0.2 . 1 . . . . 38 L CB . 17329 1 230 . 1 1 61 61 LEU CD1 C 13 24.307 0.2 . 2 . . . . 38 L CD1 . 17329 1 231 . 1 1 61 61 LEU CD2 C 13 21.536 0.2 . 2 . . . . 38 L CD2 . 17329 1 232 . 1 1 61 61 LEU N N 15 119.658 0.1 . 1 . . . . 38 L N . 17329 1 233 . 1 1 63 63 GLN C C 13 177.686 0.2 . 1 . . . . 40 Q C . 17329 1 234 . 1 1 64 64 GLU H H 1 9.353 0.01 . 1 . . . . 41 E HN . 17329 1 235 . 1 1 64 64 GLU C C 13 177.232 0.2 . 1 . . . . 41 E C . 17329 1 236 . 1 1 64 64 GLU CA C 13 58.525 0.2 . 1 . . . . 41 E CA . 17329 1 237 . 1 1 64 64 GLU CB C 13 27.782 0.2 . 1 . . . . 41 E CB . 17329 1 238 . 1 1 64 64 GLU N N 15 117.135 0.1 . 1 . . . . 41 E N . 17329 1 239 . 1 1 65 65 GLN H H 1 8.045 0.01 . 1 . . . . 42 Q HN . 17329 1 240 . 1 1 65 65 GLN C C 13 174.072 0.2 . 1 . . . . 42 Q C . 17329 1 241 . 1 1 65 65 GLN CA C 13 54.863 0.2 . 1 . . . . 42 Q CA . 17329 1 242 . 1 1 65 65 GLN CB C 13 29.256 0.2 . 1 . . . . 42 Q CB . 17329 1 243 . 1 1 65 65 GLN N N 15 119.213 0.1 . 1 . . . . 42 Q N . 17329 1 244 . 1 1 66 66 ARG H H 1 7.069 0.01 . 1 . . . . 43 R HN . 17329 1 245 . 1 1 66 66 ARG C C 13 176.160 0.2 . 1 . . . . 43 R C . 17329 1 246 . 1 1 66 66 ARG CA C 13 57.094 0.2 . 1 . . . . 43 R CA . 17329 1 247 . 1 1 66 66 ARG CB C 13 29.214 0.2 . 1 . . . . 43 R CB . 17329 1 248 . 1 1 66 66 ARG N N 15 115.354 0.1 . 1 . . . . 43 R N . 17329 1 249 . 1 1 67 67 SER H H 1 7.664 0.01 . 1 . . . . 44 S HN . 17329 1 250 . 1 1 67 67 SER C C 13 175.383 0.2 . 1 . . . . 44 S C . 17329 1 251 . 1 1 67 67 SER CA C 13 57.508 0.2 . 1 . . . . 44 S CA . 17329 1 252 . 1 1 67 67 SER CB C 13 63.926 0.2 . 1 . . . . 44 S CB . 17329 1 253 . 1 1 67 67 SER N N 15 114.760 0.1 . 1 . . . . 44 S N . 17329 1 254 . 1 1 68 68 VAL HG11 H 1 0.841 0.01 . 4 . . . . 45 V HG11 . 17329 1 255 . 1 1 68 68 VAL HG12 H 1 0.841 0.01 . 4 . . . . 45 V HG11 . 17329 1 256 . 1 1 68 68 VAL HG13 H 1 0.841 0.01 . 4 . . . . 45 V HG11 . 17329 1 257 . 1 1 68 68 VAL HG21 H 1 0.913 0.01 . 4 . . . . 45 V HG21 . 17329 1 258 . 1 1 68 68 VAL HG22 H 1 0.913 0.01 . 4 . . . . 45 V HG21 . 17329 1 259 . 1 1 68 68 VAL HG23 H 1 0.913 0.01 . 4 . . . . 45 V HG21 . 17329 1 260 . 1 1 68 68 VAL C C 13 178.236 0.2 . 1 . . . . 45 V C . 17329 1 261 . 1 1 68 68 VAL CA C 13 67.711 0.2 . 1 . . . . 45 V CA . 17329 1 262 . 1 1 68 68 VAL CB C 13 30.496 0.2 . 1 . . . . 45 V CB . 17329 1 263 . 1 1 68 68 VAL CG1 C 13 19.262 0.2 . 2 . . . . 45 V CG1 . 17329 1 264 . 1 1 68 68 VAL CG2 C 13 20.948 0.2 . 2 . . . . 45 V CG2 . 17329 1 265 . 1 1 69 69 GLU H H 1 8.933 0.01 . 1 . . . . 46 E HN . 17329 1 266 . 1 1 69 69 GLU C C 13 179.155 0.2 . 1 . . . . 46 E C . 17329 1 267 . 1 1 69 69 GLU CA C 13 59.768 0.2 . 1 . . . . 46 E CA . 17329 1 268 . 1 1 69 69 GLU CB C 13 28.309 0.2 . 1 . . . . 46 E CB . 17329 1 269 . 1 1 69 69 GLU N N 15 118.471 0.1 . 1 . . . . 46 E N . 17329 1 270 . 1 1 70 70 SER H H 1 7.623 0.01 . 1 . . . . 47 S HN . 17329 1 271 . 1 1 70 70 SER C C 13 178.238 0.2 . 1 . . . . 47 S C . 17329 1 272 . 1 1 70 70 SER CA C 13 60.703 0.2 . 1 . . . . 47 S CA . 17329 1 273 . 1 1 70 70 SER CB C 13 62.715 0.2 . 1 . . . . 47 S CB . 17329 1 274 . 1 1 70 70 SER N N 15 114.314 0.1 . 1 . . . . 47 S N . 17329 1 275 . 1 1 71 71 SER H H 1 8.851 0.01 . 1 . . . . 48 S HN . 17329 1 276 . 1 1 71 71 SER C C 13 176.036 0.2 . 1 . . . . 48 S C . 17329 1 277 . 1 1 71 71 SER CA C 13 61.672 0.2 . 1 . . . . 48 S CA . 17329 1 278 . 1 1 71 71 SER CB C 13 63.586 0.2 . 1 . . . . 48 S CB . 17329 1 279 . 1 1 71 71 SER N N 15 121.438 0.1 . 1 . . . . 48 S N . 17329 1 280 . 1 1 72 72 LEU H H 1 7.260 0.01 . 1 . . . . 49 L HN . 17329 1 281 . 1 1 72 72 LEU HD11 H 1 0.868 0.01 . 4 . . . . 49 L HD11 . 17329 1 282 . 1 1 72 72 LEU HD12 H 1 0.868 0.01 . 4 . . . . 49 L HD11 . 17329 1 283 . 1 1 72 72 LEU HD13 H 1 0.868 0.01 . 4 . . . . 49 L HD11 . 17329 1 284 . 1 1 72 72 LEU HD21 H 1 0.810 0.01 . 4 . . . . 49 L HD21 . 17329 1 285 . 1 1 72 72 LEU HD22 H 1 0.810 0.01 . 4 . . . . 49 L HD21 . 17329 1 286 . 1 1 72 72 LEU HD23 H 1 0.810 0.01 . 4 . . . . 49 L HD21 . 17329 1 287 . 1 1 72 72 LEU C C 13 177.317 0.2 . 1 . . . . 49 L C . 17329 1 288 . 1 1 72 72 LEU CA C 13 56.171 0.2 . 1 . . . . 49 L CA . 17329 1 289 . 1 1 72 72 LEU CB C 13 40.298 0.2 . 1 . . . . 49 L CB . 17329 1 290 . 1 1 72 72 LEU CD1 C 13 23.706 0.2 . 2 . . . . 49 L CD1 . 17329 1 291 . 1 1 72 72 LEU CD2 C 13 20.714 0.2 . 2 . . . . 49 L CD2 . 17329 1 292 . 1 1 72 72 LEU N N 15 120.994 0.1 . 1 . . . . 49 L N . 17329 1 293 . 1 1 73 73 ARG H H 1 7.414 0.01 . 1 . . . . 50 R HN . 17329 1 294 . 1 1 73 73 ARG C C 13 175.925 0.2 . 1 . . . . 50 R C . 17329 1 295 . 1 1 73 73 ARG CA C 13 54.777 0.2 . 1 . . . . 50 R CA . 17329 1 296 . 1 1 73 73 ARG CB C 13 30.706 0.2 . 1 . . . . 50 R CB . 17329 1 297 . 1 1 73 73 ARG N N 15 116.541 0.1 . 1 . . . . 50 R N . 17329 1 298 . 1 1 74 74 ALA H H 1 7.267 0.01 . 1 . . . . 51 A HN . 17329 1 299 . 1 1 74 74 ALA C C 13 176.795 0.2 . 1 . . . . 51 A C . 17329 1 300 . 1 1 74 74 ALA CA C 13 52.333 0.2 . 1 . . . . 51 A CA . 17329 1 301 . 1 1 74 74 ALA CB C 13 20.923 0.2 . 1 . . . . 51 A CB . 17329 1 302 . 1 1 74 74 ALA N N 15 123.963 0.1 . 1 . . . . 51 A N . 17329 1 303 . 1 1 75 75 GLN H H 1 8.344 0.01 . 1 . . . . 52 Q HN . 17329 1 304 . 1 1 75 75 GLN C C 13 175.459 0.2 . 1 . . . . 52 Q C . 17329 1 305 . 1 1 75 75 GLN CA C 13 53.723 0.2 . 1 . . . . 52 Q CA . 17329 1 306 . 1 1 75 75 GLN CB C 13 30.087 0.2 . 1 . . . . 52 Q CB . 17329 1 307 . 1 1 75 75 GLN N N 15 118.619 0.1 . 1 . . . . 52 Q N . 17329 1 308 . 1 1 76 76 VAL H H 1 9.089 0.01 . 1 . . . . 53 V HN . 17329 1 309 . 1 1 76 76 VAL HG11 H 1 0.903 0.01 . 4 . . . . 53 V HG11 . 17329 1 310 . 1 1 76 76 VAL HG12 H 1 0.903 0.01 . 4 . . . . 53 V HG11 . 17329 1 311 . 1 1 76 76 VAL HG13 H 1 0.903 0.01 . 4 . . . . 53 V HG11 . 17329 1 312 . 1 1 76 76 VAL HG21 H 1 0.448 0.01 . 4 . . . . 53 V HG21 . 17329 1 313 . 1 1 76 76 VAL HG22 H 1 0.448 0.01 . 4 . . . . 53 V HG21 . 17329 1 314 . 1 1 76 76 VAL HG23 H 1 0.448 0.01 . 4 . . . . 53 V HG21 . 17329 1 315 . 1 1 76 76 VAL C C 13 173.628 0.2 . 1 . . . . 53 V C . 17329 1 316 . 1 1 76 76 VAL CA C 13 58.886 0.2 . 1 . . . . 53 V CA . 17329 1 317 . 1 1 76 76 VAL CB C 13 32.878 0.2 . 1 . . . . 53 V CB . 17329 1 318 . 1 1 76 76 VAL CG1 C 13 19.941 0.2 . 2 . . . . 53 V CG1 . 17329 1 319 . 1 1 76 76 VAL CG2 C 13 21.347 0.2 . 2 . . . . 53 V CG2 . 17329 1 320 . 1 1 76 76 VAL N N 15 125.447 0.1 . 1 . . . . 53 V N . 17329 1 321 . 1 1 77 77 PRO C C 13 178.126 0.2 . 1 . . . . 54 P C . 17329 1 322 . 1 1 77 77 PRO CA C 13 62.181 0.2 . 1 . . . . 54 P CA . 17329 1 323 . 1 1 77 77 PRO CB C 13 32.285 0.2 . 1 . . . . 54 P CB . 17329 1 324 . 1 1 78 78 PHE H H 1 7.944 0.01 . 1 . . . . 55 F HN . 17329 1 325 . 1 1 78 78 PHE C C 13 177.065 0.2 . 1 . . . . 55 F C . 17329 1 326 . 1 1 78 78 PHE CA C 13 58.057 0.2 . 1 . . . . 55 F CA . 17329 1 327 . 1 1 78 78 PHE CB C 13 36.432 0.2 . 1 . . . . 55 F CB . 17329 1 328 . 1 1 78 78 PHE N N 15 121.440 0.1 . 1 . . . . 55 F N . 17329 1 329 . 1 1 79 79 GLU H H 1 9.287 0.01 . 1 . . . . 56 E HN . 17329 1 330 . 1 1 79 79 GLU C C 13 178.303 0.2 . 1 . . . . 56 E C . 17329 1 331 . 1 1 79 79 GLU CA C 13 60.023 0.2 . 1 . . . . 56 E CA . 17329 1 332 . 1 1 79 79 GLU CB C 13 28.349 0.2 . 1 . . . . 56 E CB . 17329 1 333 . 1 1 79 79 GLU N N 15 117.580 0.1 . 1 . . . . 56 E N . 17329 1 334 . 1 1 80 80 GLN H H 1 7.294 0.01 . 1 . . . . 57 Q HN . 17329 1 335 . 1 1 80 80 GLN C C 13 178.219 0.2 . 1 . . . . 57 Q C . 17329 1 336 . 1 1 80 80 GLN CA C 13 57.417 0.2 . 1 . . . . 57 Q CA . 17329 1 337 . 1 1 80 80 GLN CB C 13 29.345 0.2 . 1 . . . . 57 Q CB . 17329 1 338 . 1 1 80 80 GLN N N 15 115.057 0.1 . 1 . . . . 57 Q N . 17329 1 339 . 1 1 81 81 ILE H H 1 7.408 0.01 . 1 . . . . 58 I HN . 17329 1 340 . 1 1 81 81 ILE HD11 H 1 0.650 0.01 . 1 . . . . 58 I HD11 . 17329 1 341 . 1 1 81 81 ILE HD12 H 1 0.650 0.01 . 1 . . . . 58 I HD11 . 17329 1 342 . 1 1 81 81 ILE HD13 H 1 0.650 0.01 . 1 . . . . 58 I HD11 . 17329 1 343 . 1 1 81 81 ILE C C 13 177.084 0.2 . 1 . . . . 58 I C . 17329 1 344 . 1 1 81 81 ILE CA C 13 61.386 0.2 . 1 . . . . 58 I CA . 17329 1 345 . 1 1 81 81 ILE CB C 13 35.487 0.2 . 1 . . . . 58 I CB . 17329 1 346 . 1 1 81 81 ILE CD1 C 13 7.699 0.2 . 1 . . . . 58 I CD1 . 17329 1 347 . 1 1 81 81 ILE N N 15 121.588 0.1 . 1 . . . . 58 I N . 17329 1 348 . 1 1 82 82 LEU H H 1 8.269 0.01 . 1 . . . . 59 L HN . 17329 1 349 . 1 1 82 82 LEU HD11 H 1 0.812 0.01 . 4 . . . . 59 L HD11 . 17329 1 350 . 1 1 82 82 LEU HD12 H 1 0.812 0.01 . 4 . . . . 59 L HD11 . 17329 1 351 . 1 1 82 82 LEU HD13 H 1 0.812 0.01 . 4 . . . . 59 L HD11 . 17329 1 352 . 1 1 82 82 LEU HD21 H 1 0.672 0.01 . 4 . . . . 59 L HD21 . 17329 1 353 . 1 1 82 82 LEU HD22 H 1 0.672 0.01 . 4 . . . . 59 L HD21 . 17329 1 354 . 1 1 82 82 LEU HD23 H 1 0.672 0.01 . 4 . . . . 59 L HD21 . 17329 1 355 . 1 1 82 82 LEU C C 13 176.395 0.2 . 1 . . . . 59 L C . 17329 1 356 . 1 1 82 82 LEU CA C 13 56.075 0.2 . 1 . . . . 59 L CA . 17329 1 357 . 1 1 82 82 LEU CB C 13 40.547 0.2 . 1 . . . . 59 L CB . 17329 1 358 . 1 1 82 82 LEU CD1 C 13 23.644 0.2 . 2 . . . . 59 L CD1 . 17329 1 359 . 1 1 82 82 LEU CD2 C 13 22.277 0.2 . 2 . . . . 59 L CD2 . 17329 1 360 . 1 1 82 82 LEU N N 15 116.244 0.1 . 1 . . . . 59 L N . 17329 1 361 . 1 1 83 83 SER H H 1 7.121 0.01 . 1 . . . . 60 S HN . 17329 1 362 . 1 1 83 83 SER C C 13 174.807 0.2 . 1 . . . . 60 S C . 17329 1 363 . 1 1 83 83 SER CA C 13 58.360 0.2 . 1 . . . . 60 S CA . 17329 1 364 . 1 1 83 83 SER CB C 13 64.035 0.2 . 1 . . . . 60 S CB . 17329 1 365 . 1 1 83 83 SER N N 15 111.197 0.1 . 1 . . . . 60 S N . 17329 1 366 . 1 1 84 84 LEU H H 1 7.678 0.01 . 1 . . . . 61 L HN . 17329 1 367 . 1 1 84 84 LEU HD11 H 1 1.027 0.01 . 4 . . . . 61 L HD11 . 17329 1 368 . 1 1 84 84 LEU HD12 H 1 1.027 0.01 . 4 . . . . 61 L HD11 . 17329 1 369 . 1 1 84 84 LEU HD13 H 1 1.027 0.01 . 4 . . . . 61 L HD11 . 17329 1 370 . 1 1 84 84 LEU HD21 H 1 1.017 0.01 . 4 . . . . 61 L HD21 . 17329 1 371 . 1 1 84 84 LEU HD22 H 1 1.017 0.01 . 4 . . . . 61 L HD21 . 17329 1 372 . 1 1 84 84 LEU HD23 H 1 1.017 0.01 . 4 . . . . 61 L HD21 . 17329 1 373 . 1 1 84 84 LEU C C 13 176.594 0.2 . 1 . . . . 61 L C . 17329 1 374 . 1 1 84 84 LEU CA C 13 53.501 0.2 . 1 . . . . 61 L CA . 17329 1 375 . 1 1 84 84 LEU CB C 13 39.900 0.2 . 1 . . . . 61 L CB . 17329 1 376 . 1 1 84 84 LEU CD1 C 13 24.063 0.2 . 2 . . . . 61 L CD1 . 17329 1 377 . 1 1 84 84 LEU CD2 C 13 21.756 0.2 . 2 . . . . 61 L CD2 . 17329 1 378 . 1 1 84 84 LEU N N 15 125.596 0.1 . 1 . . . . 61 L N . 17329 1 379 . 1 1 85 85 PRO C C 13 178.403 0.2 . 1 . . . . 62 P C . 17329 1 380 . 1 1 85 85 PRO CA C 13 65.263 0.2 . 1 . . . . 62 P CA . 17329 1 381 . 1 1 85 85 PRO CB C 13 30.958 0.2 . 1 . . . . 62 P CB . 17329 1 382 . 1 1 86 86 GLU H H 1 10.038 0.01 . 1 . . . . 63 E HN . 17329 1 383 . 1 1 86 86 GLU C C 13 176.518 0.2 . 1 . . . . 63 E C . 17329 1 384 . 1 1 86 86 GLU CA C 13 59.518 0.2 . 1 . . . . 63 E CA . 17329 1 385 . 1 1 86 86 GLU CB C 13 27.891 0.2 . 1 . . . . 63 E CB . 17329 1 386 . 1 1 86 86 GLU N N 15 116.838 0.1 . 1 . . . . 63 E N . 17329 1 387 . 1 1 87 87 LEU H H 1 7.411 0.01 . 1 . . . . 64 L HN . 17329 1 388 . 1 1 87 87 LEU HD11 H 1 0.863 0.01 . 4 . . . . 64 L HD11 . 17329 1 389 . 1 1 87 87 LEU HD12 H 1 0.863 0.01 . 4 . . . . 64 L HD11 . 17329 1 390 . 1 1 87 87 LEU HD13 H 1 0.863 0.01 . 4 . . . . 64 L HD11 . 17329 1 391 . 1 1 87 87 LEU HD21 H 1 0.800 0.01 . 4 . . . . 64 L HD21 . 17329 1 392 . 1 1 87 87 LEU HD22 H 1 0.800 0.01 . 4 . . . . 64 L HD21 . 17329 1 393 . 1 1 87 87 LEU HD23 H 1 0.800 0.01 . 4 . . . . 64 L HD21 . 17329 1 394 . 1 1 87 87 LEU C C 13 177.955 0.2 . 1 . . . . 64 L C . 17329 1 395 . 1 1 87 87 LEU CA C 13 54.523 0.2 . 1 . . . . 64 L CA . 17329 1 396 . 1 1 87 87 LEU CB C 13 43.605 0.2 . 1 . . . . 64 L CB . 17329 1 397 . 1 1 87 87 LEU CD1 C 13 23.094 0.2 . 2 . . . . 64 L CD1 . 17329 1 398 . 1 1 87 87 LEU CD2 C 13 22.694 0.2 . 2 . . . . 64 L CD2 . 17329 1 399 . 1 1 87 87 LEU N N 15 117.135 0.1 . 1 . . . . 64 L N . 17329 1 400 . 1 1 88 88 LYS H H 1 7.860 0.01 . 1 . . . . 65 K HN . 17329 1 401 . 1 1 88 88 LYS C C 13 176.796 0.2 . 1 . . . . 65 K C . 17329 1 402 . 1 1 88 88 LYS CA C 13 59.715 0.2 . 1 . . . . 65 K CA . 17329 1 403 . 1 1 88 88 LYS CB C 13 31.602 0.2 . 1 . . . . 65 K CB . 17329 1 404 . 1 1 88 88 LYS N N 15 119.064 0.1 . 1 . . . . 65 K N . 17329 1 405 . 1 1 89 89 ALA C C 13 176.956 0.2 . 1 . . . . 66 A C . 17329 1 406 . 1 1 89 89 ALA CA C 13 51.107 0.2 . 1 . . . . 66 A CA . 17329 1 407 . 1 1 89 89 ALA CB C 13 18.228 0.2 . 1 . . . . 66 A CB . 17329 1 408 . 1 1 90 90 ASN H H 1 7.897 0.01 . 1 . . . . 67 N HN . 17329 1 409 . 1 1 90 90 ASN C C 13 175.586 0.2 . 1 . . . . 67 N C . 17329 1 410 . 1 1 90 90 ASN CA C 13 51.431 0.2 . 1 . . . . 67 N CA . 17329 1 411 . 1 1 90 90 ASN CB C 13 39.589 0.2 . 1 . . . . 67 N CB . 17329 1 412 . 1 1 90 90 ASN N N 15 122.627 0.1 . 1 . . . . 67 N N . 17329 1 413 . 1 1 91 91 PRO C C 13 177.277 0.2 . 1 . . . . 68 P C . 17329 1 414 . 1 1 91 91 PRO CA C 13 63.942 0.2 . 1 . . . . 68 P CA . 17329 1 415 . 1 1 91 91 PRO CB C 13 31.122 0.2 . 1 . . . . 68 P CB . 17329 1 416 . 1 1 92 92 PHE H H 1 8.908 0.01 . 1 . . . . 69 F HN . 17329 1 417 . 1 1 92 92 PHE C C 13 176.716 0.2 . 1 . . . . 69 F C . 17329 1 418 . 1 1 92 92 PHE CA C 13 56.477 0.2 . 1 . . . . 69 F CA . 17329 1 419 . 1 1 92 92 PHE CB C 13 37.709 0.2 . 1 . . . . 69 F CB . 17329 1 420 . 1 1 92 92 PHE N N 15 117.432 0.1 . 1 . . . . 69 F N . 17329 1 421 . 1 1 93 93 LYS H H 1 7.649 0.01 . 1 . . . . 70 K HN . 17329 1 422 . 1 1 93 93 LYS C C 13 175.907 0.2 . 1 . . . . 70 K C . 17329 1 423 . 1 1 93 93 LYS CA C 13 60.099 0.2 . 1 . . . . 70 K CA . 17329 1 424 . 1 1 93 93 LYS CB C 13 30.949 0.2 . 1 . . . . 70 K CB . 17329 1 425 . 1 1 93 93 LYS N N 15 119.213 0.1 . 1 . . . . 70 K N . 17329 1 426 . 1 1 94 94 GLU H H 1 8.595 0.01 . 1 . . . . 71 E HN . 17329 1 427 . 1 1 94 94 GLU C C 13 178.730 0.2 . 1 . . . . 71 E C . 17329 1 428 . 1 1 94 94 GLU CA C 13 60.401 0.2 . 1 . . . . 71 E CA . 17329 1 429 . 1 1 94 94 GLU CB C 13 27.978 0.2 . 1 . . . . 71 E CB . 17329 1 430 . 1 1 94 94 GLU N N 15 120.400 0.1 . 1 . . . . 71 E N . 17329 1 431 . 1 1 95 95 ARG H H 1 7.463 0.01 . 1 . . . . 72 R HN . 17329 1 432 . 1 1 95 95 ARG C C 13 177.858 0.2 . 1 . . . . 72 R C . 17329 1 433 . 1 1 95 95 ARG CA C 13 56.594 0.2 . 1 . . . . 72 R CA . 17329 1 434 . 1 1 95 95 ARG CB C 13 28.226 0.2 . 1 . . . . 72 R CB . 17329 1 435 . 1 1 95 95 ARG N N 15 119.361 0.1 . 1 . . . . 72 R N . 17329 1 436 . 1 1 96 96 ILE H H 1 8.348 0.01 . 1 . . . . 73 I HN . 17329 1 437 . 1 1 96 96 ILE HD11 H 1 0.848 0.01 . 1 . . . . 73 I HD11 . 17329 1 438 . 1 1 96 96 ILE HD12 H 1 0.848 0.01 . 1 . . . . 73 I HD11 . 17329 1 439 . 1 1 96 96 ILE HD13 H 1 0.848 0.01 . 1 . . . . 73 I HD11 . 17329 1 440 . 1 1 96 96 ILE C C 13 177.122 0.2 . 1 . . . . 73 I C . 17329 1 441 . 1 1 96 96 ILE CA C 13 65.848 0.2 . 1 . . . . 73 I CA . 17329 1 442 . 1 1 96 96 ILE CB C 13 37.302 0.2 . 1 . . . . 73 I CB . 17329 1 443 . 1 1 96 96 ILE CD1 C 13 11.651 0.2 . 1 . . . . 73 I CD1 . 17329 1 444 . 1 1 96 96 ILE N N 15 118.768 0.1 . 1 . . . . 73 I N . 17329 1 445 . 1 1 97 97 CYS H H 1 7.261 0.01 . 1 . . . . 74 C HN . 17329 1 446 . 1 1 97 97 CYS C C 13 174.880 0.2 . 1 . . . . 74 C C . 17329 1 447 . 1 1 97 97 CYS CA C 13 64.919 0.2 . 1 . . . . 74 C CA . 17329 1 448 . 1 1 97 97 CYS CB C 13 24.744 0.2 . 1 . . . . 74 C CB . 17329 1 449 . 1 1 97 97 CYS N N 15 115.502 0.1 . 1 . . . . 74 C N . 17329 1 450 . 1 1 98 98 ARG H H 1 7.166 0.01 . 1 . . . . 75 R HN . 17329 1 451 . 1 1 98 98 ARG C C 13 178.365 0.2 . 1 . . . . 75 R C . 17329 1 452 . 1 1 98 98 ARG CA C 13 59.327 0.2 . 1 . . . . 75 R CA . 17329 1 453 . 1 1 98 98 ARG CB C 13 29.241 0.2 . 1 . . . . 75 R CB . 17329 1 454 . 1 1 98 98 ARG N N 15 116.393 0.1 . 1 . . . . 75 R N . 17329 1 455 . 1 1 99 99 VAL H H 1 8.040 0.01 . 1 . . . . 76 V HN . 17329 1 456 . 1 1 99 99 VAL HG11 H 1 0.448 0.01 . 4 . . . . 76 V HG11 . 17329 1 457 . 1 1 99 99 VAL HG12 H 1 0.448 0.01 . 4 . . . . 76 V HG11 . 17329 1 458 . 1 1 99 99 VAL HG13 H 1 0.448 0.01 . 4 . . . . 76 V HG11 . 17329 1 459 . 1 1 99 99 VAL HG21 H 1 0.766 0.01 . 4 . . . . 76 V HG21 . 17329 1 460 . 1 1 99 99 VAL HG22 H 1 0.766 0.01 . 4 . . . . 76 V HG21 . 17329 1 461 . 1 1 99 99 VAL HG23 H 1 0.766 0.01 . 4 . . . . 76 V HG21 . 17329 1 462 . 1 1 99 99 VAL C C 13 176.947 0.2 . 1 . . . . 76 V C . 17329 1 463 . 1 1 99 99 VAL CA C 13 64.975 0.2 . 1 . . . . 76 V CA . 17329 1 464 . 1 1 99 99 VAL CB C 13 30.930 0.2 . 1 . . . . 76 V CB . 17329 1 465 . 1 1 99 99 VAL CG1 C 13 19.086 0.2 . 2 . . . . 76 V CG1 . 17329 1 466 . 1 1 99 99 VAL CG2 C 13 21.209 0.2 . 2 . . . . 76 V CG2 . 17329 1 467 . 1 1 99 99 VAL N N 15 117.135 0.1 . 1 . . . . 76 V N . 17329 1 468 . 1 1 100 100 PHE H H 1 7.413 0.01 . 1 . . . . 77 F HN . 17329 1 469 . 1 1 100 100 PHE C C 13 175.038 0.2 . 1 . . . . 77 F C . 17329 1 470 . 1 1 100 100 PHE CA C 13 60.238 0.2 . 1 . . . . 77 F CA . 17329 1 471 . 1 1 100 100 PHE CB C 13 38.855 0.2 . 1 . . . . 77 F CB . 17329 1 472 . 1 1 100 100 PHE N N 15 115.502 0.1 . 1 . . . . 77 F N . 17329 1 473 . 1 1 101 101 SER H H 1 7.198 0.01 . 1 . . . . 78 S HN . 17329 1 474 . 1 1 101 101 SER C C 13 177.342 0.2 . 1 . . . . 78 S C . 17329 1 475 . 1 1 101 101 SER CA C 13 58.735 0.2 . 1 . . . . 78 S CA . 17329 1 476 . 1 1 101 101 SER CB C 13 64.154 0.2 . 1 . . . . 78 S CB . 17329 1 477 . 1 1 101 101 SER N N 15 112.533 0.1 . 1 . . . . 78 S N . 17329 1 478 . 1 1 102 102 THR H H 1 9.211 0.01 . 1 . . . . 79 T HN . 17329 1 479 . 1 1 102 102 THR C C 13 175.739 0.2 . 1 . . . . 79 T C . 17329 1 480 . 1 1 102 102 THR CA C 13 61.340 0.2 . 1 . . . . 79 T CA . 17329 1 481 . 1 1 102 102 THR CB C 13 68.670 0.2 . 1 . . . . 79 T CB . 17329 1 482 . 1 1 102 102 THR N N 15 120.697 0.1 . 1 . . . . 79 T N . 17329 1 483 . 1 1 103 103 SER H H 1 8.135 0.01 . 1 . . . . 80 S HN . 17329 1 484 . 1 1 103 103 SER C C 13 175.595 0.2 . 1 . . . . 80 S C . 17329 1 485 . 1 1 103 103 SER CA C 13 56.050 0.2 . 1 . . . . 80 S CA . 17329 1 486 . 1 1 103 103 SER CB C 13 63.206 0.2 . 1 . . . . 80 S CB . 17329 1 487 . 1 1 103 103 SER N N 15 121.291 0.1 . 1 . . . . 80 S N . 17329 1 488 . 1 1 105 105 ALA C C 13 177.010 0.2 . 1 . . . . 82 A C . 17329 1 489 . 1 1 105 105 ALA CA C 13 51.372 0.2 . 1 . . . . 82 A CA . 17329 1 490 . 1 1 105 105 ALA CB C 13 17.954 0.2 . 1 . . . . 82 A CB . 17329 1 491 . 1 1 106 106 LYS H H 1 7.998 0.01 . 1 . . . . 83 K HN . 17329 1 492 . 1 1 106 106 LYS C C 13 175.098 0.2 . 1 . . . . 83 K C . 17329 1 493 . 1 1 106 106 LYS CA C 13 55.885 0.2 . 1 . . . . 83 K CA . 17329 1 494 . 1 1 106 106 LYS CB C 13 29.418 0.2 . 1 . . . . 83 K CB . 17329 1 495 . 1 1 106 106 LYS N N 15 115.502 0.1 . 1 . . . . 83 K N . 17329 1 496 . 1 1 107 107 ASP H H 1 7.653 0.01 . 1 . . . . 84 D HN . 17329 1 497 . 1 1 107 107 ASP C C 13 175.873 0.2 . 1 . . . . 84 D C . 17329 1 498 . 1 1 107 107 ASP CA C 13 52.151 0.2 . 1 . . . . 84 D CA . 17329 1 499 . 1 1 107 107 ASP CB C 13 40.587 0.2 . 1 . . . . 84 D CB . 17329 1 500 . 1 1 107 107 ASP N N 15 112.385 0.1 . 1 . . . . 84 D N . 17329 1 501 . 1 1 108 108 SER H H 1 7.274 0.01 . 1 . . . . 85 S HN . 17329 1 502 . 1 1 108 108 SER C C 13 172.858 0.2 . 1 . . . . 85 S C . 17329 1 503 . 1 1 108 108 SER CA C 13 57.087 0.2 . 1 . . . . 85 S CA . 17329 1 504 . 1 1 108 108 SER CB C 13 65.391 0.2 . 1 . . . . 85 S CB . 17329 1 505 . 1 1 108 108 SER N N 15 113.721 0.1 . 1 . . . . 85 S N . 17329 1 506 . 1 1 109 109 LEU H H 1 9.159 0.01 . 1 . . . . 86 L HN . 17329 1 507 . 1 1 109 109 LEU HD11 H 1 1.099 0.01 . 4 . . . . 86 L HD11 . 17329 1 508 . 1 1 109 109 LEU HD12 H 1 1.099 0.01 . 4 . . . . 86 L HD11 . 17329 1 509 . 1 1 109 109 LEU HD13 H 1 1.099 0.01 . 4 . . . . 86 L HD11 . 17329 1 510 . 1 1 109 109 LEU HD21 H 1 1.215 0.01 . 4 . . . . 86 L HD21 . 17329 1 511 . 1 1 109 109 LEU HD22 H 1 1.215 0.01 . 4 . . . . 86 L HD21 . 17329 1 512 . 1 1 109 109 LEU HD23 H 1 1.215 0.01 . 4 . . . . 86 L HD21 . 17329 1 513 . 1 1 109 109 LEU C C 13 176.323 0.2 . 1 . . . . 86 L C . 17329 1 514 . 1 1 109 109 LEU CA C 13 54.331 0.2 . 1 . . . . 86 L CA . 17329 1 515 . 1 1 109 109 LEU CB C 13 44.225 0.2 . 1 . . . . 86 L CB . 17329 1 516 . 1 1 109 109 LEU CD1 C 13 24.442 0.2 . 2 . . . . 86 L CD1 . 17329 1 517 . 1 1 109 109 LEU CD2 C 13 22.598 0.2 . 2 . . . . 86 L CD2 . 17329 1 518 . 1 1 109 109 LEU N N 15 121.440 0.1 . 1 . . . . 86 L N . 17329 1 519 . 1 1 110 110 SER H H 1 8.388 0.01 . 1 . . . . 87 S HN . 17329 1 520 . 1 1 110 110 SER C C 13 174.728 0.2 . 1 . . . . 87 S C . 17329 1 521 . 1 1 110 110 SER CA C 13 56.028 0.2 . 1 . . . . 87 S CA . 17329 1 522 . 1 1 110 110 SER CB C 13 65.431 0.2 . 1 . . . . 87 S CB . 17329 1 523 . 1 1 110 110 SER N N 15 118.174 0.1 . 1 . . . . 87 S N . 17329 1 524 . 1 1 111 111 PHE H H 1 9.912 0.01 . 1 . . . . 88 F HN . 17329 1 525 . 1 1 111 111 PHE C C 13 176.733 0.2 . 1 . . . . 88 F C . 17329 1 526 . 1 1 111 111 PHE CA C 13 60.523 0.2 . 1 . . . . 88 F CA . 17329 1 527 . 1 1 111 111 PHE CB C 13 37.171 0.2 . 1 . . . . 88 F CB . 17329 1 528 . 1 1 111 111 PHE N N 15 122.775 0.1 . 1 . . . . 88 F N . 17329 1 529 . 1 1 112 112 GLU H H 1 8.242 0.01 . 1 . . . . 89 E HN . 17329 1 530 . 1 1 112 112 GLU C C 13 178.383 0.2 . 1 . . . . 89 E C . 17329 1 531 . 1 1 112 112 GLU CA C 13 60.063 0.2 . 1 . . . . 89 E CA . 17329 1 532 . 1 1 112 112 GLU CB C 13 28.097 0.2 . 1 . . . . 89 E CB . 17329 1 533 . 1 1 112 112 GLU N N 15 117.729 0.1 . 1 . . . . 89 E N . 17329 1 534 . 1 1 113 113 ASP H H 1 7.730 0.01 . 1 . . . . 90 D HN . 17329 1 535 . 1 1 113 113 ASP C C 13 177.536 0.2 . 1 . . . . 90 D C . 17329 1 536 . 1 1 113 113 ASP CA C 13 57.067 0.2 . 1 . . . . 90 D CA . 17329 1 537 . 1 1 113 113 ASP CB C 13 41.839 0.2 . 1 . . . . 90 D CB . 17329 1 538 . 1 1 113 113 ASP N N 15 121.885 0.1 . 1 . . . . 90 D N . 17329 1 539 . 1 1 114 114 PHE H H 1 8.082 0.01 . 1 . . . . 91 F HN . 17329 1 540 . 1 1 114 114 PHE C C 13 176.296 0.2 . 1 . . . . 91 F C . 17329 1 541 . 1 1 114 114 PHE CA C 13 59.699 0.2 . 1 . . . . 91 F CA . 17329 1 542 . 1 1 114 114 PHE CB C 13 39.136 0.2 . 1 . . . . 91 F CB . 17329 1 543 . 1 1 114 114 PHE N N 15 120.994 0.1 . 1 . . . . 91 F N . 17329 1 544 . 1 1 115 115 LEU H H 1 8.205 0.01 . 1 . . . . 92 L HN . 17329 1 545 . 1 1 115 115 LEU HD11 H 1 0.074 0.01 . 4 . . . . 92 L HD11 . 17329 1 546 . 1 1 115 115 LEU HD12 H 1 0.074 0.01 . 4 . . . . 92 L HD11 . 17329 1 547 . 1 1 115 115 LEU HD13 H 1 0.074 0.01 . 4 . . . . 92 L HD11 . 17329 1 548 . 1 1 115 115 LEU HD21 H 1 0.319 0.01 . 4 . . . . 92 L HD21 . 17329 1 549 . 1 1 115 115 LEU HD22 H 1 0.319 0.01 . 4 . . . . 92 L HD21 . 17329 1 550 . 1 1 115 115 LEU HD23 H 1 0.319 0.01 . 4 . . . . 92 L HD21 . 17329 1 551 . 1 1 115 115 LEU C C 13 178.952 0.2 . 1 . . . . 92 L C . 17329 1 552 . 1 1 115 115 LEU CA C 13 56.966 0.2 . 1 . . . . 92 L CA . 17329 1 553 . 1 1 115 115 LEU CB C 13 40.417 0.2 . 1 . . . . 92 L CB . 17329 1 554 . 1 1 115 115 LEU CD1 C 13 23.928 0.2 . 2 . . . . 92 L CD1 . 17329 1 555 . 1 1 115 115 LEU CD2 C 13 21.729 0.2 . 2 . . . . 92 L CD2 . 17329 1 556 . 1 1 115 115 LEU N N 15 117.729 0.1 . 1 . . . . 92 L N . 17329 1 557 . 1 1 116 116 ASP H H 1 7.648 0.01 . 1 . . . . 93 D HN . 17329 1 558 . 1 1 116 116 ASP C C 13 176.799 0.2 . 1 . . . . 93 D C . 17329 1 559 . 1 1 116 116 ASP CA C 13 57.411 0.2 . 1 . . . . 93 D CA . 17329 1 560 . 1 1 116 116 ASP CB C 13 39.925 0.2 . 1 . . . . 93 D CB . 17329 1 561 . 1 1 116 116 ASP N N 15 120.252 0.1 . 1 . . . . 93 D N . 17329 1 562 . 1 1 117 117 LEU H H 1 7.249 0.01 . 1 . . . . 94 L HN . 17329 1 563 . 1 1 117 117 LEU HD11 H 1 0.439 0.01 . 4 . . . . 94 L HD11 . 17329 1 564 . 1 1 117 117 LEU HD12 H 1 0.439 0.01 . 4 . . . . 94 L HD11 . 17329 1 565 . 1 1 117 117 LEU HD13 H 1 0.439 0.01 . 4 . . . . 94 L HD11 . 17329 1 566 . 1 1 117 117 LEU HD21 H 1 0.395 0.01 . 4 . . . . 94 L HD21 . 17329 1 567 . 1 1 117 117 LEU HD22 H 1 0.395 0.01 . 4 . . . . 94 L HD21 . 17329 1 568 . 1 1 117 117 LEU HD23 H 1 0.395 0.01 . 4 . . . . 94 L HD21 . 17329 1 569 . 1 1 117 117 LEU C C 13 177.934 0.2 . 1 . . . . 94 L C . 17329 1 570 . 1 1 117 117 LEU CA C 13 57.514 0.2 . 1 . . . . 94 L CA . 17329 1 571 . 1 1 117 117 LEU CB C 13 40.426 0.2 . 1 . . . . 94 L CB . 17329 1 572 . 1 1 117 117 LEU CD1 C 13 24.238 0.2 . 2 . . . . 94 L CD1 . 17329 1 573 . 1 1 117 117 LEU CD2 C 13 22.996 0.2 . 2 . . . . 94 L CD2 . 17329 1 574 . 1 1 117 117 LEU N N 15 121.736 0.1 . 1 . . . . 94 L N . 17329 1 575 . 1 1 118 118 LEU H H 1 7.495 0.01 . 1 . . . . 95 L HN . 17329 1 576 . 1 1 118 118 LEU HD11 H 1 0.230 0.01 . 4 . . . . 95 L HD11 . 17329 1 577 . 1 1 118 118 LEU HD12 H 1 0.230 0.01 . 4 . . . . 95 L HD11 . 17329 1 578 . 1 1 118 118 LEU HD13 H 1 0.230 0.01 . 4 . . . . 95 L HD11 . 17329 1 579 . 1 1 118 118 LEU HD21 H 1 0.407 0.01 . 4 . . . . 95 L HD21 . 17329 1 580 . 1 1 118 118 LEU HD22 H 1 0.407 0.01 . 4 . . . . 95 L HD21 . 17329 1 581 . 1 1 118 118 LEU HD23 H 1 0.407 0.01 . 4 . . . . 95 L HD21 . 17329 1 582 . 1 1 118 118 LEU C C 13 179.547 0.2 . 1 . . . . 95 L C . 17329 1 583 . 1 1 118 118 LEU CA C 13 56.578 0.2 . 1 . . . . 95 L CA . 17329 1 584 . 1 1 118 118 LEU CB C 13 40.871 0.2 . 1 . . . . 95 L CB . 17329 1 585 . 1 1 118 118 LEU CD1 C 13 24.379 0.2 . 2 . . . . 95 L CD1 . 17329 1 586 . 1 1 118 118 LEU CD2 C 13 19.685 0.2 . 2 . . . . 95 L CD2 . 17329 1 587 . 1 1 118 118 LEU N N 15 117.135 0.1 . 1 . . . . 95 L N . 17329 1 588 . 1 1 119 119 SER H H 1 8.381 0.01 . 1 . . . . 96 S HN . 17329 1 589 . 1 1 119 119 SER C C 13 177.576 0.2 . 1 . . . . 96 S C . 17329 1 590 . 1 1 119 119 SER CA C 13 61.134 0.2 . 1 . . . . 96 S CA . 17329 1 591 . 1 1 119 119 SER CB C 13 63.595 0.2 . 1 . . . . 96 S CB . 17329 1 592 . 1 1 119 119 SER N N 15 114.611 0.1 . 1 . . . . 96 S N . 17329 1 593 . 1 1 120 120 VAL HG11 H 1 0.473 0.01 . 4 . . . . 97 V HG11 . 17329 1 594 . 1 1 120 120 VAL HG12 H 1 0.473 0.01 . 4 . . . . 97 V HG11 . 17329 1 595 . 1 1 120 120 VAL HG13 H 1 0.473 0.01 . 4 . . . . 97 V HG11 . 17329 1 596 . 1 1 120 120 VAL HG21 H 1 0.546 0.01 . 4 . . . . 97 V HG21 . 17329 1 597 . 1 1 120 120 VAL HG22 H 1 0.546 0.01 . 4 . . . . 97 V HG21 . 17329 1 598 . 1 1 120 120 VAL HG23 H 1 0.546 0.01 . 4 . . . . 97 V HG21 . 17329 1 599 . 1 1 120 120 VAL CG1 C 13 19.396 0.2 . 2 . . . . 97 V CG1 . 17329 1 600 . 1 1 120 120 VAL CG2 C 13 20.719 0.2 . 2 . . . . 97 V CG2 . 17329 1 601 . 1 1 121 121 PHE C C 13 175.510 0.2 . 1 . . . . 98 F C . 17329 1 602 . 1 1 121 121 PHE CA C 13 57.237 0.2 . 1 . . . . 98 F CA . 17329 1 603 . 1 1 121 121 PHE CB C 13 37.634 0.2 . 1 . . . . 98 F CB . 17329 1 604 . 1 1 122 122 SER H H 1 7.374 0.01 . 1 . . . . 99 S HN . 17329 1 605 . 1 1 122 122 SER C C 13 176.038 0.2 . 1 . . . . 99 S C . 17329 1 606 . 1 1 122 122 SER CA C 13 58.422 0.2 . 1 . . . . 99 S CA . 17329 1 607 . 1 1 122 122 SER CB C 13 64.092 0.2 . 1 . . . . 99 S CB . 17329 1 608 . 1 1 122 122 SER N N 15 116.096 0.1 . 1 . . . . 99 S N . 17329 1 609 . 1 1 123 123 ASP C C 13 177.506 0.2 . 1 . . . . 100 D C . 17329 1 610 . 1 1 123 123 ASP CA C 13 56.438 0.2 . 1 . . . . 100 D CA . 17329 1 611 . 1 1 123 123 ASP CB C 13 40.206 0.2 . 1 . . . . 100 D CB . 17329 1 612 . 1 1 124 124 THR H H 1 8.024 0.01 . 1 . . . . 101 T HN . 17329 1 613 . 1 1 124 124 THR C C 13 174.293 0.2 . 1 . . . . 101 T C . 17329 1 614 . 1 1 124 124 THR CA C 13 61.788 0.2 . 1 . . . . 101 T CA . 17329 1 615 . 1 1 124 124 THR CB C 13 68.658 0.2 . 1 . . . . 101 T CB . 17329 1 616 . 1 1 124 124 THR N N 15 110.158 0.1 . 1 . . . . 101 T N . 17329 1 617 . 1 1 125 125 ALA H H 1 6.847 0.01 . 1 . . . . 102 A HN . 17329 1 618 . 1 1 125 125 ALA C C 13 177.387 0.2 . 1 . . . . 102 A C . 17329 1 619 . 1 1 125 125 ALA CA C 13 51.839 0.2 . 1 . . . . 102 A CA . 17329 1 620 . 1 1 125 125 ALA CB C 13 18.915 0.2 . 1 . . . . 102 A CB . 17329 1 621 . 1 1 125 125 ALA N N 15 124.854 0.1 . 1 . . . . 102 A N . 17329 1 622 . 1 1 126 126 THR H H 1 6.208 0.01 . 1 . . . . 103 T HN . 17329 1 623 . 1 1 126 126 THR CA C 13 59.469 0.2 . 1 . . . . 103 T CA . 17329 1 624 . 1 1 126 126 THR CB C 13 67.803 0.2 . 1 . . . . 103 T CB . 17329 1 625 . 1 1 126 126 THR N N 15 111.939 0.1 . 1 . . . . 103 T N . 17329 1 626 . 1 1 127 127 PRO C C 13 178.835 0.2 . 1 . . . . 104 P C . 17329 1 627 . 1 1 128 128 ASP H H 1 8.505 0.01 . 1 . . . . 105 D HN . 17329 1 628 . 1 1 128 128 ASP C C 13 178.206 0.2 . 1 . . . . 105 D C . 17329 1 629 . 1 1 128 128 ASP CA C 13 56.309 0.2 . 1 . . . . 105 D CA . 17329 1 630 . 1 1 128 128 ASP CB C 13 39.236 0.2 . 1 . . . . 105 D CB . 17329 1 631 . 1 1 128 128 ASP N N 15 116.541 0.1 . 1 . . . . 105 D N . 17329 1 632 . 1 1 129 129 ILE H H 1 7.554 0.01 . 1 . . . . 106 I HN . 17329 1 633 . 1 1 129 129 ILE HD11 H 1 1.019 0.01 . 1 . . . . 106 I HD11 . 17329 1 634 . 1 1 129 129 ILE HD12 H 1 1.019 0.01 . 1 . . . . 106 I HD11 . 17329 1 635 . 1 1 129 129 ILE HD13 H 1 1.019 0.01 . 1 . . . . 106 I HD11 . 17329 1 636 . 1 1 129 129 ILE C C 13 177.815 0.2 . 1 . . . . 106 I C . 17329 1 637 . 1 1 129 129 ILE CA C 13 62.976 0.2 . 1 . . . . 106 I CA . 17329 1 638 . 1 1 129 129 ILE CB C 13 36.962 0.2 . 1 . . . . 106 I CB . 17329 1 639 . 1 1 129 129 ILE CD1 C 13 10.334 0.2 . 1 . . . . 106 I CD1 . 17329 1 640 . 1 1 129 129 ILE N N 15 123.072 0.1 . 1 . . . . 106 I N . 17329 1 641 . 1 1 130 130 LYS H H 1 7.821 0.01 . 1 . . . . 107 K HN . 17329 1 642 . 1 1 130 130 LYS C C 13 179.188 0.2 . 1 . . . . 107 K C . 17329 1 643 . 1 1 130 130 LYS CA C 13 60.227 0.2 . 1 . . . . 107 K CA . 17329 1 644 . 1 1 130 130 LYS CB C 13 32.393 0.2 . 1 . . . . 107 K CB . 17329 1 645 . 1 1 130 130 LYS N N 15 120.252 0.1 . 1 . . . . 107 K N . 17329 1 646 . 1 1 131 131 SER H H 1 8.506 0.01 . 1 . . . . 108 S HN . 17329 1 647 . 1 1 131 131 SER C C 13 175.697 0.2 . 1 . . . . 108 S C . 17329 1 648 . 1 1 131 131 SER CA C 13 61.821 0.2 . 1 . . . . 108 S CA . 17329 1 649 . 1 1 131 131 SER CB C 13 63.001 0.2 . 1 . . . . 108 S CB . 17329 1 650 . 1 1 131 131 SER N N 15 113.572 0.1 . 1 . . . . 108 S N . 17329 1 651 . 1 1 132 132 HIS H H 1 7.709 0.01 . 1 . . . . 109 H HN . 17329 1 652 . 1 1 132 132 HIS C C 13 177.872 0.2 . 1 . . . . 109 H C . 17329 1 653 . 1 1 132 132 HIS CA C 13 59.475 0.2 . 1 . . . . 109 H CA . 17329 1 654 . 1 1 132 132 HIS CB C 13 29.821 0.2 . 1 . . . . 109 H CB . 17329 1 655 . 1 1 132 132 HIS N N 15 122.479 0.1 . 1 . . . . 109 H N . 17329 1 656 . 1 1 133 133 TYR H H 1 7.920 0.01 . 1 . . . . 110 Y HN . 17329 1 657 . 1 1 133 133 TYR C C 13 177.739 0.2 . 1 . . . . 110 Y C . 17329 1 658 . 1 1 133 133 TYR CA C 13 63.032 0.2 . 1 . . . . 110 Y CA . 17329 1 659 . 1 1 133 133 TYR CB C 13 38.068 0.2 . 1 . . . . 110 Y CB . 17329 1 660 . 1 1 133 133 TYR N N 15 115.947 0.1 . 1 . . . . 110 Y N . 17329 1 661 . 1 1 134 134 ALA H H 1 8.726 0.01 . 1 . . . . 111 A HN . 17329 1 662 . 1 1 134 134 ALA C C 13 177.454 0.2 . 1 . . . . 111 A C . 17329 1 663 . 1 1 134 134 ALA CA C 13 55.313 0.2 . 1 . . . . 111 A CA . 17329 1 664 . 1 1 134 134 ALA CB C 13 17.341 0.2 . 1 . . . . 111 A CB . 17329 1 665 . 1 1 134 134 ALA N N 15 122.182 0.1 . 1 . . . . 111 A N . 17329 1 666 . 1 1 135 135 PHE H H 1 8.021 0.01 . 1 . . . . 112 F HN . 17329 1 667 . 1 1 135 135 PHE C C 13 175.927 0.2 . 1 . . . . 112 F C . 17329 1 668 . 1 1 135 135 PHE CA C 13 61.868 0.2 . 1 . . . . 112 F CA . 17329 1 669 . 1 1 135 135 PHE CB C 13 38.532 0.2 . 1 . . . . 112 F CB . 17329 1 670 . 1 1 135 135 PHE N N 15 117.580 0.1 . 1 . . . . 112 F N . 17329 1 671 . 1 1 136 136 ARG H H 1 7.190 0.01 . 1 . . . . 113 R HN . 17329 1 672 . 1 1 136 136 ARG C C 13 179.250 0.2 . 1 . . . . 113 R C . 17329 1 673 . 1 1 136 136 ARG CA C 13 58.257 0.2 . 1 . . . . 113 R CA . 17329 1 674 . 1 1 136 136 ARG CB C 13 29.067 0.2 . 1 . . . . 113 R CB . 17329 1 675 . 1 1 136 136 ARG N N 15 113.869 0.1 . 1 . . . . 113 R N . 17329 1 676 . 1 1 137 137 ILE H H 1 7.897 0.01 . 1 . . . . 114 I HN . 17329 1 677 . 1 1 137 137 ILE HD11 H 1 0.566 0.01 . 1 . . . . 114 I HD11 . 17329 1 678 . 1 1 137 137 ILE HD12 H 1 0.566 0.01 . 1 . . . . 114 I HD11 . 17329 1 679 . 1 1 137 137 ILE HD13 H 1 0.566 0.01 . 1 . . . . 114 I HD11 . 17329 1 680 . 1 1 137 137 ILE C C 13 176.512 0.2 . 1 . . . . 114 I C . 17329 1 681 . 1 1 137 137 ILE CA C 13 64.828 0.2 . 1 . . . . 114 I CA . 17329 1 682 . 1 1 137 137 ILE CB C 13 36.112 0.2 . 1 . . . . 114 I CB . 17329 1 683 . 1 1 137 137 ILE CD1 C 13 11.938 0.2 . 1 . . . . 114 I CD1 . 17329 1 684 . 1 1 137 137 ILE N N 15 119.955 0.1 . 1 . . . . 114 I N . 17329 1 685 . 1 1 138 138 PHE H H 1 7.329 0.01 . 1 . . . . 115 F HN . 17329 1 686 . 1 1 138 138 PHE C C 13 174.845 0.2 . 1 . . . . 115 F C . 17329 1 687 . 1 1 138 138 PHE CA C 13 58.917 0.2 . 1 . . . . 115 F CA . 17329 1 688 . 1 1 138 138 PHE CB C 13 37.944 0.2 . 1 . . . . 115 F CB . 17329 1 689 . 1 1 138 138 PHE N N 15 114.611 0.1 . 1 . . . . 115 F N . 17329 1 690 . 1 1 139 139 ASP H H 1 7.242 0.01 . 1 . . . . 116 D HN . 17329 1 691 . 1 1 139 139 ASP C C 13 176.539 0.2 . 1 . . . . 116 D C . 17329 1 692 . 1 1 139 139 ASP CA C 13 51.749 0.2 . 1 . . . . 116 D CA . 17329 1 693 . 1 1 139 139 ASP CB C 13 37.480 0.2 . 1 . . . . 116 D CB . 17329 1 694 . 1 1 139 139 ASP N N 15 119.955 0.1 . 1 . . . . 116 D N . 17329 1 695 . 1 1 140 140 PHE H H 1 7.711 0.01 . 1 . . . . 117 F HN . 17329 1 696 . 1 1 140 140 PHE C C 13 176.678 0.2 . 1 . . . . 117 F C . 17329 1 697 . 1 1 140 140 PHE CA C 13 61.570 0.2 . 1 . . . . 117 F CA . 17329 1 698 . 1 1 140 140 PHE CB C 13 39.078 0.2 . 1 . . . . 117 F CB . 17329 1 699 . 1 1 140 140 PHE N N 15 124.557 0.1 . 1 . . . . 117 F N . 17329 1 700 . 1 1 141 141 ASP H H 1 8.380 0.01 . 1 . . . . 118 D HN . 17329 1 701 . 1 1 141 141 ASP C C 13 175.511 0.2 . 1 . . . . 118 D C . 17329 1 702 . 1 1 141 141 ASP CA C 13 52.580 0.2 . 1 . . . . 118 D CA . 17329 1 703 . 1 1 141 141 ASP CB C 13 39.173 0.2 . 1 . . . . 118 D CB . 17329 1 704 . 1 1 141 141 ASP N N 15 114.166 0.1 . 1 . . . . 118 D N . 17329 1 705 . 1 1 142 142 ASP H H 1 8.053 0.01 . 1 . . . . 119 D HN . 17329 1 706 . 1 1 142 142 ASP C C 13 175.215 0.2 . 1 . . . . 119 D C . 17329 1 707 . 1 1 142 142 ASP CA C 13 56.000 0.2 . 1 . . . . 119 D CA . 17329 1 708 . 1 1 142 142 ASP CB C 13 39.522 0.2 . 1 . . . . 119 D CB . 17329 1 709 . 1 1 142 142 ASP N N 15 117.877 0.1 . 1 . . . . 119 D N . 17329 1 710 . 1 1 143 143 ASP H H 1 8.266 0.01 . 1 . . . . 120 D HN . 17329 1 711 . 1 1 143 143 ASP C C 13 178.291 0.2 . 1 . . . . 120 D C . 17329 1 712 . 1 1 143 143 ASP CA C 13 53.781 0.2 . 1 . . . . 120 D CA . 17329 1 713 . 1 1 143 143 ASP CB C 13 40.744 0.2 . 1 . . . . 120 D CB . 17329 1 714 . 1 1 143 143 ASP N N 15 117.729 0.1 . 1 . . . . 120 D N . 17329 1 715 . 1 1 144 144 GLY H H 1 10.721 0.01 . 1 . . . . 121 G HN . 17329 1 716 . 1 1 144 144 GLY C C 13 173.544 0.2 . 1 . . . . 121 G C . 17329 1 717 . 1 1 144 144 GLY CA C 13 45.139 0.2 . 1 . . . . 121 G CA . 17329 1 718 . 1 1 144 144 GLY N N 15 114.314 0.1 . 1 . . . . 121 G N . 17329 1 719 . 1 1 145 145 THR H H 1 7.936 0.01 . 1 . . . . 122 T HN . 17329 1 720 . 1 1 145 145 THR C C 13 172.705 0.2 . 1 . . . . 122 T C . 17329 1 721 . 1 1 145 145 THR CA C 13 59.954 0.2 . 1 . . . . 122 T CA . 17329 1 722 . 1 1 145 145 THR CB C 13 72.487 0.2 . 1 . . . . 122 T CB . 17329 1 723 . 1 1 145 145 THR N N 15 111.346 0.1 . 1 . . . . 122 T N . 17329 1 724 . 1 1 146 146 LEU H H 1 9.660 0.01 . 1 . . . . 123 L HN . 17329 1 725 . 1 1 146 146 LEU HD11 H 1 0.523 0.01 . 4 . . . . 123 L HD11 . 17329 1 726 . 1 1 146 146 LEU HD12 H 1 0.523 0.01 . 4 . . . . 123 L HD11 . 17329 1 727 . 1 1 146 146 LEU HD13 H 1 0.523 0.01 . 4 . . . . 123 L HD11 . 17329 1 728 . 1 1 146 146 LEU HD21 H 1 0.098 0.01 . 4 . . . . 123 L HD21 . 17329 1 729 . 1 1 146 146 LEU HD22 H 1 0.098 0.01 . 4 . . . . 123 L HD21 . 17329 1 730 . 1 1 146 146 LEU HD23 H 1 0.098 0.01 . 4 . . . . 123 L HD21 . 17329 1 731 . 1 1 146 146 LEU C C 13 175.684 0.2 . 1 . . . . 123 L C . 17329 1 732 . 1 1 146 146 LEU CA C 13 52.928 0.2 . 1 . . . . 123 L CA . 17329 1 733 . 1 1 146 146 LEU CB C 13 39.774 0.2 . 1 . . . . 123 L CB . 17329 1 734 . 1 1 146 146 LEU CD1 C 13 24.558 0.2 . 2 . . . . 123 L CD1 . 17329 1 735 . 1 1 146 146 LEU CD2 C 13 19.591 0.2 . 2 . . . . 123 L CD2 . 17329 1 736 . 1 1 146 146 LEU N N 15 126.338 0.1 . 1 . . . . 123 L N . 17329 1 737 . 1 1 147 147 ASN H H 1 8.003 0.01 . 1 . . . . 124 N HN . 17329 1 738 . 1 1 147 147 ASN C C 13 175.201 0.2 . 1 . . . . 124 N C . 17329 1 739 . 1 1 147 147 ASN CA C 13 50.477 0.2 . 1 . . . . 124 N CA . 17329 1 740 . 1 1 147 147 ASN CB C 13 37.664 0.2 . 1 . . . . 124 N CB . 17329 1 741 . 1 1 147 147 ASN N N 15 123.221 0.1 . 1 . . . . 124 N N . 17329 1 742 . 1 1 148 148 ARG C C 13 178.484 0.2 . 1 . . . . 125 R C . 17329 1 743 . 1 1 148 148 ARG CA C 13 61.227 0.2 . 1 . . . . 125 R CA . 17329 1 744 . 1 1 148 148 ARG CB C 13 29.161 0.2 . 1 . . . . 125 R CB . 17329 1 745 . 1 1 149 149 GLU H H 1 7.700 0.01 . 1 . . . . 126 E HN . 17329 1 746 . 1 1 149 149 GLU C C 13 179.595 0.2 . 1 . . . . 126 E C . 17329 1 747 . 1 1 149 149 GLU CA C 13 59.476 0.2 . 1 . . . . 126 E CA . 17329 1 748 . 1 1 149 149 GLU CB C 13 28.246 0.2 . 1 . . . . 126 E CB . 17329 1 749 . 1 1 149 149 GLU N N 15 120.549 0.1 . 1 . . . . 126 E N . 17329 1 750 . 1 1 150 150 ASP H H 1 8.510 0.01 . 1 . . . . 127 D HN . 17329 1 751 . 1 1 150 150 ASP C C 13 180.311 0.2 . 1 . . . . 127 D C . 17329 1 752 . 1 1 150 150 ASP CA C 13 56.880 0.2 . 1 . . . . 127 D CA . 17329 1 753 . 1 1 150 150 ASP CB C 13 41.255 0.2 . 1 . . . . 127 D CB . 17329 1 754 . 1 1 150 150 ASP N N 15 122.627 0.1 . 1 . . . . 127 D N . 17329 1 755 . 1 1 151 151 LEU H H 1 8.831 0.01 . 1 . . . . 128 L HN . 17329 1 756 . 1 1 151 151 LEU HD11 H 1 0.767 0.01 . 4 . . . . 128 L HD11 . 17329 1 757 . 1 1 151 151 LEU HD12 H 1 0.767 0.01 . 4 . . . . 128 L HD11 . 17329 1 758 . 1 1 151 151 LEU HD13 H 1 0.767 0.01 . 4 . . . . 128 L HD11 . 17329 1 759 . 1 1 151 151 LEU HD21 H 1 0.821 0.01 . 4 . . . . 128 L HD21 . 17329 1 760 . 1 1 151 151 LEU HD22 H 1 0.821 0.01 . 4 . . . . 128 L HD21 . 17329 1 761 . 1 1 151 151 LEU HD23 H 1 0.821 0.01 . 4 . . . . 128 L HD21 . 17329 1 762 . 1 1 151 151 LEU C C 13 178.344 0.2 . 1 . . . . 128 L C . 17329 1 763 . 1 1 151 151 LEU CA C 13 56.951 0.2 . 1 . . . . 128 L CA . 17329 1 764 . 1 1 151 151 LEU CB C 13 41.343 0.2 . 1 . . . . 128 L CB . 17329 1 765 . 1 1 151 151 LEU CD1 C 13 23.846 0.2 . 2 . . . . 128 L CD1 . 17329 1 766 . 1 1 151 151 LEU CD2 C 13 21.494 0.2 . 2 . . . . 128 L CD2 . 17329 1 767 . 1 1 151 151 LEU N N 15 119.064 0.1 . 1 . . . . 128 L N . 17329 1 768 . 1 1 152 152 SER H H 1 8.139 0.01 . 1 . . . . 129 S HN . 17329 1 769 . 1 1 152 152 SER C C 13 175.830 0.2 . 1 . . . . 129 S C . 17329 1 770 . 1 1 152 152 SER CA C 13 61.576 0.2 . 1 . . . . 129 S CA . 17329 1 771 . 1 1 152 152 SER CB C 13 62.538 0.2 . 1 . . . . 129 S CB . 17329 1 772 . 1 1 152 152 SER N N 15 116.838 0.1 . 1 . . . . 129 S N . 17329 1 773 . 1 1 153 153 ARG H H 1 7.162 0.01 . 1 . . . . 130 R HN . 17329 1 774 . 1 1 153 153 ARG C C 13 178.696 0.2 . 1 . . . . 130 R C . 17329 1 775 . 1 1 153 153 ARG CA C 13 58.748 0.2 . 1 . . . . 130 R CA . 17329 1 776 . 1 1 153 153 ARG CB C 13 29.251 0.2 . 1 . . . . 130 R CB . 17329 1 777 . 1 1 153 153 ARG N N 15 120.697 0.1 . 1 . . . . 130 R N . 17329 1 778 . 1 1 154 154 LEU H H 1 7.262 0.01 . 1 . . . . 131 L HN . 17329 1 779 . 1 1 154 154 LEU HD11 H 1 0.388 0.01 . 4 . . . . 131 L HD11 . 17329 1 780 . 1 1 154 154 LEU HD12 H 1 0.388 0.01 . 4 . . . . 131 L HD11 . 17329 1 781 . 1 1 154 154 LEU HD13 H 1 0.388 0.01 . 4 . . . . 131 L HD11 . 17329 1 782 . 1 1 154 154 LEU HD21 H 1 0.615 0.01 . 4 . . . . 131 L HD21 . 17329 1 783 . 1 1 154 154 LEU HD22 H 1 0.615 0.01 . 4 . . . . 131 L HD21 . 17329 1 784 . 1 1 154 154 LEU HD23 H 1 0.615 0.01 . 4 . . . . 131 L HD21 . 17329 1 785 . 1 1 154 154 LEU C C 13 178.327 0.2 . 1 . . . . 131 L C . 17329 1 786 . 1 1 154 154 LEU CA C 13 58.188 0.2 . 1 . . . . 131 L CA . 17329 1 787 . 1 1 154 154 LEU CB C 13 40.280 0.2 . 1 . . . . 131 L CB . 17329 1 788 . 1 1 154 154 LEU CD1 C 13 22.484 0.2 . 2 . . . . 131 L CD1 . 17329 1 789 . 1 1 154 154 LEU CD2 C 13 23.839 0.2 . 2 . . . . 131 L CD2 . 17329 1 790 . 1 1 154 154 LEU N N 15 121.143 0.1 . 1 . . . . 131 L N . 17329 1 791 . 1 1 155 155 VAL H H 1 8.404 0.01 . 1 . . . . 132 V HN . 17329 1 792 . 1 1 155 155 VAL HG11 H 1 0.940 0.01 . 4 . . . . 132 V HG11 . 17329 1 793 . 1 1 155 155 VAL HG12 H 1 0.940 0.01 . 4 . . . . 132 V HG11 . 17329 1 794 . 1 1 155 155 VAL HG13 H 1 0.940 0.01 . 4 . . . . 132 V HG11 . 17329 1 795 . 1 1 155 155 VAL HG21 H 1 0.972 0.01 . 4 . . . . 132 V HG21 . 17329 1 796 . 1 1 155 155 VAL HG22 H 1 0.972 0.01 . 4 . . . . 132 V HG21 . 17329 1 797 . 1 1 155 155 VAL HG23 H 1 0.972 0.01 . 4 . . . . 132 V HG21 . 17329 1 798 . 1 1 155 155 VAL C C 13 178.615 0.2 . 1 . . . . 132 V C . 17329 1 799 . 1 1 155 155 VAL CA C 13 66.425 0.2 . 1 . . . . 132 V CA . 17329 1 800 . 1 1 155 155 VAL CB C 13 30.684 0.2 . 1 . . . . 132 V CB . 17329 1 801 . 1 1 155 155 VAL CG1 C 13 20.593 0.2 . 2 . . . . 132 V CG1 . 17329 1 802 . 1 1 155 155 VAL CG2 C 13 20.805 0.2 . 2 . . . . 132 V CG2 . 17329 1 803 . 1 1 155 155 VAL N N 15 118.471 0.1 . 1 . . . . 132 V N . 17329 1 804 . 1 1 156 156 ASN H H 1 7.951 0.01 . 1 . . . . 133 N HN . 17329 1 805 . 1 1 156 156 ASN C C 13 177.249 0.2 . 1 . . . . 133 N C . 17329 1 806 . 1 1 156 156 ASN CA C 13 55.874 0.2 . 1 . . . . 133 N CA . 17329 1 807 . 1 1 156 156 ASN CB C 13 38.186 0.2 . 1 . . . . 133 N CB . 17329 1 808 . 1 1 156 156 ASN N N 15 119.064 0.1 . 1 . . . . 133 N N . 17329 1 809 . 1 1 157 157 CYS H H 1 7.887 0.01 . 1 . . . . 134 C HN . 17329 1 810 . 1 1 157 157 CYS C C 13 176.430 0.2 . 1 . . . . 134 C C . 17329 1 811 . 1 1 157 157 CYS CA C 13 61.797 0.2 . 1 . . . . 134 C CA . 17329 1 812 . 1 1 157 157 CYS CB C 13 27.203 0.2 . 1 . . . . 134 C CB . 17329 1 813 . 1 1 157 157 CYS N N 15 118.471 0.1 . 1 . . . . 134 C N . 17329 1 814 . 1 1 158 158 LEU H H 1 8.079 0.01 . 1 . . . . 135 L HN . 17329 1 815 . 1 1 158 158 LEU HD11 H 1 0.727 0.01 . 4 . . . . 135 L HD11 . 17329 1 816 . 1 1 158 158 LEU HD12 H 1 0.727 0.01 . 4 . . . . 135 L HD11 . 17329 1 817 . 1 1 158 158 LEU HD13 H 1 0.727 0.01 . 4 . . . . 135 L HD11 . 17329 1 818 . 1 1 158 158 LEU HD21 H 1 0.777 0.01 . 4 . . . . 135 L HD21 . 17329 1 819 . 1 1 158 158 LEU HD22 H 1 0.777 0.01 . 4 . . . . 135 L HD21 . 17329 1 820 . 1 1 158 158 LEU HD23 H 1 0.777 0.01 . 4 . . . . 135 L HD21 . 17329 1 821 . 1 1 158 158 LEU C C 13 178.386 0.2 . 1 . . . . 135 L C . 17329 1 822 . 1 1 158 158 LEU CA C 13 56.384 0.2 . 1 . . . . 135 L CA . 17329 1 823 . 1 1 158 158 LEU CB C 13 41.192 0.2 . 1 . . . . 135 L CB . 17329 1 824 . 1 1 158 158 LEU CD1 C 13 23.443 0.2 . 2 . . . . 135 L CD1 . 17329 1 825 . 1 1 158 158 LEU CD2 C 13 20.924 0.2 . 2 . . . . 135 L CD2 . 17329 1 826 . 1 1 158 158 LEU N N 15 118.916 0.1 . 1 . . . . 135 L N . 17329 1 827 . 1 1 159 159 THR H H 1 7.853 0.01 . 1 . . . . 136 T HN . 17329 1 828 . 1 1 159 159 THR C C 13 175.650 0.2 . 1 . . . . 136 T C . 17329 1 829 . 1 1 159 159 THR CA C 13 62.312 0.2 . 1 . . . . 136 T CA . 17329 1 830 . 1 1 159 159 THR CB C 13 69.929 0.2 . 1 . . . . 136 T CB . 17329 1 831 . 1 1 159 159 THR N N 15 110.158 0.1 . 1 . . . . 136 T N . 17329 1 832 . 1 1 160 160 GLY H H 1 7.837 0.01 . 1 . . . . 137 G HN . 17329 1 833 . 1 1 160 160 GLY C C 13 174.199 0.2 . 1 . . . . 137 G C . 17329 1 834 . 1 1 160 160 GLY CA C 13 45.310 0.2 . 1 . . . . 137 G CA . 17329 1 835 . 1 1 160 160 GLY N N 15 110.900 0.1 . 1 . . . . 137 G N . 17329 1 836 . 1 1 161 161 GLU H H 1 8.232 0.01 . 1 . . . . 138 E HN . 17329 1 837 . 1 1 161 161 GLU C C 13 176.935 0.2 . 1 . . . . 138 E C . 17329 1 838 . 1 1 161 161 GLU CA C 13 56.276 0.2 . 1 . . . . 138 E CA . 17329 1 839 . 1 1 161 161 GLU CB C 13 29.608 0.2 . 1 . . . . 138 E CB . 17329 1 840 . 1 1 161 161 GLU N N 15 120.549 0.1 . 1 . . . . 138 E N . 17329 1 841 . 1 1 162 162 GLY H H 1 8.299 0.01 . 1 . . . . 139 G HN . 17329 1 842 . 1 1 162 162 GLY C C 13 174.321 0.2 . 1 . . . . 139 G C . 17329 1 843 . 1 1 162 162 GLY CA C 13 44.908 0.2 . 1 . . . . 139 G CA . 17329 1 844 . 1 1 162 162 GLY N N 15 110.158 0.1 . 1 . . . . 139 G N . 17329 1 845 . 1 1 164 164 ASP C C 13 176.285 0.2 . 1 . . . . 141 D C . 17329 1 846 . 1 1 164 164 ASP CA C 13 54.413 0.2 . 1 . . . . 141 D CA . 17329 1 847 . 1 1 164 164 ASP CB C 13 40.400 0.2 . 1 . . . . 141 D CB . 17329 1 848 . 1 1 165 165 THR H H 1 7.671 0.01 . 1 . . . . 142 T HN . 17329 1 849 . 1 1 165 165 THR C C 13 174.254 0.2 . 1 . . . . 142 T C . 17329 1 850 . 1 1 165 165 THR CA C 13 61.608 0.2 . 1 . . . . 142 T CA . 17329 1 851 . 1 1 165 165 THR CB C 13 69.230 0.2 . 1 . . . . 142 T CB . 17329 1 852 . 1 1 165 165 THR N N 15 113.572 0.1 . 1 . . . . 142 T N . 17329 1 853 . 1 1 166 166 ARG H H 1 8.128 0.01 . 1 . . . . 143 R HN . 17329 1 854 . 1 1 166 166 ARG C C 13 176.366 0.2 . 1 . . . . 143 R C . 17329 1 855 . 1 1 166 166 ARG CA C 13 55.775 0.2 . 1 . . . . 143 R CA . 17329 1 856 . 1 1 166 166 ARG CB C 13 30.015 0.2 . 1 . . . . 143 R CB . 17329 1 857 . 1 1 166 166 ARG N N 15 123.963 0.1 . 1 . . . . 143 R N . 17329 1 858 . 1 1 167 167 LEU H H 1 8.325 0.01 . 1 . . . . 144 L HN . 17329 1 859 . 1 1 167 167 LEU HD11 H 1 0.858 0.01 . 4 . . . . 144 L HD11 . 17329 1 860 . 1 1 167 167 LEU HD12 H 1 0.858 0.01 . 4 . . . . 144 L HD11 . 17329 1 861 . 1 1 167 167 LEU HD13 H 1 0.858 0.01 . 4 . . . . 144 L HD11 . 17329 1 862 . 1 1 167 167 LEU HD21 H 1 0.840 0.01 . 4 . . . . 144 L HD21 . 17329 1 863 . 1 1 167 167 LEU HD22 H 1 0.840 0.01 . 4 . . . . 144 L HD21 . 17329 1 864 . 1 1 167 167 LEU HD23 H 1 0.840 0.01 . 4 . . . . 144 L HD21 . 17329 1 865 . 1 1 167 167 LEU C C 13 177.578 0.2 . 1 . . . . 144 L C . 17329 1 866 . 1 1 167 167 LEU CA C 13 54.478 0.2 . 1 . . . . 144 L CA . 17329 1 867 . 1 1 167 167 LEU CB C 13 42.314 0.2 . 1 . . . . 144 L CB . 17329 1 868 . 1 1 167 167 LEU CD2 C 13 21.587 0.2 . 2 . . . . 144 L CD2 . 17329 1 869 . 1 1 167 167 LEU N N 15 124.111 0.1 . 1 . . . . 144 L N . 17329 1 870 . 1 1 168 168 SER H H 1 8.975 0.01 . 1 . . . . 145 S HN . 17329 1 871 . 1 1 168 168 SER C C 13 174.679 0.2 . 1 . . . . 145 S C . 17329 1 872 . 1 1 168 168 SER CA C 13 57.190 0.2 . 1 . . . . 145 S CA . 17329 1 873 . 1 1 168 168 SER CB C 13 64.953 0.2 . 1 . . . . 145 S CB . 17329 1 874 . 1 1 168 168 SER N N 15 119.955 0.1 . 1 . . . . 145 S N . 17329 1 875 . 1 1 170 170 SER C C 13 177.168 0.2 . 1 . . . . 147 S C . 17329 1 876 . 1 1 170 170 SER CA C 13 60.488 0.2 . 1 . . . . 147 S CA . 17329 1 877 . 1 1 170 170 SER CB C 13 62.203 0.2 . 1 . . . . 147 S CB . 17329 1 878 . 1 1 171 171 GLU H H 1 7.697 0.01 . 1 . . . . 148 E HN . 17329 1 879 . 1 1 171 171 GLU C C 13 179.261 0.2 . 1 . . . . 148 E C . 17329 1 880 . 1 1 171 171 GLU CA C 13 58.789 0.2 . 1 . . . . 148 E CA . 17329 1 881 . 1 1 171 171 GLU CB C 13 29.622 0.2 . 1 . . . . 148 E CB . 17329 1 882 . 1 1 171 171 GLU N N 15 124.854 0.1 . 1 . . . . 148 E N . 17329 1 883 . 1 1 172 172 MET H H 1 8.593 0.01 . 1 . . . . 149 M HN . 17329 1 884 . 1 1 172 172 MET C C 13 177.139 0.2 . 1 . . . . 149 M C . 17329 1 885 . 1 1 172 172 MET CA C 13 57.886 0.2 . 1 . . . . 149 M CA . 17329 1 886 . 1 1 172 172 MET CB C 13 31.225 0.2 . 1 . . . . 149 M CB . 17329 1 887 . 1 1 172 172 MET N N 15 120.400 0.1 . 1 . . . . 149 M N . 17329 1 888 . 1 1 173 173 LYS H H 1 7.784 0.01 . 1 . . . . 150 K HN . 17329 1 889 . 1 1 173 173 LYS C C 13 177.940 0.2 . 1 . . . . 150 K C . 17329 1 890 . 1 1 173 173 LYS CA C 13 59.596 0.2 . 1 . . . . 150 K CA . 17329 1 891 . 1 1 173 173 LYS CB C 13 31.329 0.2 . 1 . . . . 150 K CB . 17329 1 892 . 1 1 173 173 LYS N N 15 119.213 0.1 . 1 . . . . 150 K N . 17329 1 893 . 1 1 174 174 GLN H H 1 7.498 0.01 . 1 . . . . 151 Q HN . 17329 1 894 . 1 1 174 174 GLN C C 13 178.126 0.2 . 1 . . . . 151 Q C . 17329 1 895 . 1 1 174 174 GLN CA C 13 58.288 0.2 . 1 . . . . 151 Q CA . 17329 1 896 . 1 1 174 174 GLN CB C 13 28.121 0.2 . 1 . . . . 151 Q CB . 17329 1 897 . 1 1 174 174 GLN N N 15 116.986 0.1 . 1 . . . . 151 Q N . 17329 1 898 . 1 1 175 175 LEU H H 1 7.876 0.01 . 1 . . . . 152 L HN . 17329 1 899 . 1 1 175 175 LEU HD11 H 1 0.947 0.01 . 4 . . . . 152 L HD11 . 17329 1 900 . 1 1 175 175 LEU HD12 H 1 0.947 0.01 . 4 . . . . 152 L HD11 . 17329 1 901 . 1 1 175 175 LEU HD13 H 1 0.947 0.01 . 4 . . . . 152 L HD11 . 17329 1 902 . 1 1 175 175 LEU HD21 H 1 0.918 0.01 . 4 . . . . 152 L HD21 . 17329 1 903 . 1 1 175 175 LEU HD22 H 1 0.918 0.01 . 4 . . . . 152 L HD21 . 17329 1 904 . 1 1 175 175 LEU HD23 H 1 0.918 0.01 . 4 . . . . 152 L HD21 . 17329 1 905 . 1 1 175 175 LEU C C 13 179.689 0.2 . 1 . . . . 152 L C . 17329 1 906 . 1 1 175 175 LEU CA C 13 58.087 0.2 . 1 . . . . 152 L CA . 17329 1 907 . 1 1 175 175 LEU CB C 13 40.930 0.2 . 1 . . . . 152 L CB . 17329 1 908 . 1 1 175 175 LEU CD1 C 13 23.449 0.2 . 2 . . . . 152 L CD1 . 17329 1 909 . 1 1 175 175 LEU CD2 C 13 22.545 0.2 . 2 . . . . 152 L CD2 . 17329 1 910 . 1 1 175 175 LEU N N 15 120.697 0.1 . 1 . . . . 152 L N . 17329 1 911 . 1 1 176 176 ILE H H 1 8.214 0.01 . 1 . . . . 153 I HN . 17329 1 912 . 1 1 176 176 ILE HD11 H 1 0.715 0.01 . 1 . . . . 153 I HD11 . 17329 1 913 . 1 1 176 176 ILE HD12 H 1 0.715 0.01 . 1 . . . . 153 I HD11 . 17329 1 914 . 1 1 176 176 ILE HD13 H 1 0.715 0.01 . 1 . . . . 153 I HD11 . 17329 1 915 . 1 1 176 176 ILE C C 13 177.660 0.2 . 1 . . . . 153 I C . 17329 1 916 . 1 1 176 176 ILE CA C 13 65.230 0.2 . 1 . . . . 153 I CA . 17329 1 917 . 1 1 176 176 ILE CB C 13 37.039 0.2 . 1 . . . . 153 I CB . 17329 1 918 . 1 1 176 176 ILE CD1 C 13 11.574 0.2 . 1 . . . . 153 I CD1 . 17329 1 919 . 1 1 176 176 ILE N N 15 120.252 0.1 . 1 . . . . 153 I N . 17329 1 920 . 1 1 177 177 ASP H H 1 8.671 0.01 . 1 . . . . 154 D HN . 17329 1 921 . 1 1 177 177 ASP C C 13 179.522 0.2 . 1 . . . . 154 D C . 17329 1 922 . 1 1 177 177 ASP CA C 13 57.483 0.2 . 1 . . . . 154 D CA . 17329 1 923 . 1 1 177 177 ASP CB C 13 38.930 0.2 . 1 . . . . 154 D CB . 17329 1 924 . 1 1 177 177 ASP N N 15 120.549 0.1 . 1 . . . . 154 D N . 17329 1 925 . 1 1 178 178 ASN H H 1 8.198 0.01 . 1 . . . . 155 N HN . 17329 1 926 . 1 1 178 178 ASN C C 13 177.586 0.2 . 1 . . . . 155 N C . 17329 1 927 . 1 1 178 178 ASN CA C 13 56.075 0.2 . 1 . . . . 155 N CA . 17329 1 928 . 1 1 178 178 ASN CB C 13 38.006 0.2 . 1 . . . . 155 N CB . 17329 1 929 . 1 1 178 178 ASN N N 15 119.658 0.1 . 1 . . . . 155 N N . 17329 1 930 . 1 1 179 179 ILE H H 1 8.023 0.01 . 1 . . . . 156 I HN . 17329 1 931 . 1 1 179 179 ILE HD11 H 1 0.666 0.01 . 1 . . . . 156 I HD11 . 17329 1 932 . 1 1 179 179 ILE HD12 H 1 0.666 0.01 . 1 . . . . 156 I HD11 . 17329 1 933 . 1 1 179 179 ILE HD13 H 1 0.666 0.01 . 1 . . . . 156 I HD11 . 17329 1 934 . 1 1 179 179 ILE C C 13 178.684 0.2 . 1 . . . . 156 I C . 17329 1 935 . 1 1 179 179 ILE CA C 13 65.029 0.2 . 1 . . . . 156 I CA . 17329 1 936 . 1 1 179 179 ILE CB C 13 37.015 0.2 . 1 . . . . 156 I CB . 17329 1 937 . 1 1 179 179 ILE CD1 C 13 11.986 0.2 . 1 . . . . 156 I CD1 . 17329 1 938 . 1 1 179 179 ILE N N 15 122.479 0.1 . 1 . . . . 156 I N . 17329 1 939 . 1 1 180 180 LEU H H 1 8.173 0.01 . 1 . . . . 157 L HN . 17329 1 940 . 1 1 180 180 LEU HD11 H 1 0.853 0.01 . 4 . . . . 157 L HD11 . 17329 1 941 . 1 1 180 180 LEU HD12 H 1 0.853 0.01 . 4 . . . . 157 L HD11 . 17329 1 942 . 1 1 180 180 LEU HD13 H 1 0.853 0.01 . 4 . . . . 157 L HD11 . 17329 1 943 . 1 1 180 180 LEU HD21 H 1 0.640 0.01 . 4 . . . . 157 L HD21 . 17329 1 944 . 1 1 180 180 LEU HD22 H 1 0.640 0.01 . 4 . . . . 157 L HD21 . 17329 1 945 . 1 1 180 180 LEU HD23 H 1 0.640 0.01 . 4 . . . . 157 L HD21 . 17329 1 946 . 1 1 180 180 LEU C C 13 179.261 0.2 . 1 . . . . 157 L C . 17329 1 947 . 1 1 180 180 LEU CA C 13 57.483 0.2 . 1 . . . . 157 L CA . 17329 1 948 . 1 1 180 180 LEU CB C 13 40.246 0.2 . 1 . . . . 157 L CB . 17329 1 949 . 1 1 180 180 LEU CD1 C 13 24.593 0.2 . 2 . . . . 157 L CD1 . 17329 1 950 . 1 1 180 180 LEU CD2 C 13 20.563 0.2 . 2 . . . . 157 L CD2 . 17329 1 951 . 1 1 180 180 LEU N N 15 120.104 0.1 . 1 . . . . 157 L N . 17329 1 952 . 1 1 181 181 GLU H H 1 8.440 0.01 . 1 . . . . 158 E HN . 17329 1 953 . 1 1 181 181 GLU C C 13 178.833 0.2 . 1 . . . . 158 E C . 17329 1 954 . 1 1 181 181 GLU CA C 13 59.194 0.2 . 1 . . . . 158 E CA . 17329 1 955 . 1 1 181 181 GLU CB C 13 28.803 0.2 . 1 . . . . 158 E CB . 17329 1 956 . 1 1 181 181 GLU N N 15 120.846 0.1 . 1 . . . . 158 E N . 17329 1 957 . 1 1 182 182 GLU H H 1 7.722 0.01 . 1 . . . . 159 E HN . 17329 1 958 . 1 1 182 182 GLU C C 13 178.982 0.2 . 1 . . . . 159 E C . 17329 1 959 . 1 1 182 182 GLU CA C 13 57.886 0.2 . 1 . . . . 159 E CA . 17329 1 960 . 1 1 182 182 GLU CB C 13 30.406 0.2 . 1 . . . . 159 E CB . 17329 1 961 . 1 1 182 182 GLU N N 15 115.057 0.1 . 1 . . . . 159 E N . 17329 1 962 . 1 1 183 183 SER H H 1 8.127 0.01 . 1 . . . . 160 S HN . 17329 1 963 . 1 1 183 183 SER C C 13 174.198 0.2 . 1 . . . . 160 S C . 17329 1 964 . 1 1 183 183 SER CA C 13 59.596 0.2 . 1 . . . . 160 S CA . 17329 1 965 . 1 1 183 183 SER CB C 13 64.941 0.2 . 1 . . . . 160 S CB . 17329 1 966 . 1 1 183 183 SER N N 15 111.049 0.1 . 1 . . . . 160 S N . 17329 1 967 . 1 1 184 184 ASP H H 1 8.231 0.01 . 1 . . . . 161 D HN . 17329 1 968 . 1 1 184 184 ASP C C 13 177.456 0.2 . 1 . . . . 161 D C . 17329 1 969 . 1 1 184 184 ASP CA C 13 52.453 0.2 . 1 . . . . 161 D CA . 17329 1 970 . 1 1 184 184 ASP CB C 13 37.053 0.2 . 1 . . . . 161 D CB . 17329 1 971 . 1 1 184 184 ASP N N 15 120.697 0.1 . 1 . . . . 161 D N . 17329 1 972 . 1 1 185 185 ILE H H 1 7.847 0.01 . 1 . . . . 162 I HN . 17329 1 973 . 1 1 185 185 ILE HD11 H 1 0.777 0.01 . 1 . . . . 162 I HD11 . 17329 1 974 . 1 1 185 185 ILE HD12 H 1 0.777 0.01 . 1 . . . . 162 I HD11 . 17329 1 975 . 1 1 185 185 ILE HD13 H 1 0.777 0.01 . 1 . . . . 162 I HD11 . 17329 1 976 . 1 1 185 185 ILE C C 13 177.865 0.2 . 1 . . . . 162 I C . 17329 1 977 . 1 1 185 185 ILE CA C 13 63.218 0.2 . 1 . . . . 162 I CA . 17329 1 978 . 1 1 185 185 ILE CB C 13 37.072 0.2 . 1 . . . . 162 I CB . 17329 1 979 . 1 1 185 185 ILE CD1 C 13 9.715 0.2 . 1 . . . . 162 I CD1 . 17329 1 980 . 1 1 185 185 ILE N N 15 126.338 0.1 . 1 . . . . 162 I N . 17329 1 981 . 1 1 186 186 ASP H H 1 8.117 0.01 . 1 . . . . 163 D HN . 17329 1 982 . 1 1 186 186 ASP C C 13 175.911 0.2 . 1 . . . . 163 D C . 17329 1 983 . 1 1 186 186 ASP CA C 13 53.157 0.2 . 1 . . . . 163 D CA . 17329 1 984 . 1 1 186 186 ASP CB C 13 38.554 0.2 . 1 . . . . 163 D CB . 17329 1 985 . 1 1 186 186 ASP N N 15 117.135 0.1 . 1 . . . . 163 D N . 17329 1 986 . 1 1 187 187 ARG H H 1 7.616 0.01 . 1 . . . . 164 R HN . 17329 1 987 . 1 1 187 187 ARG C C 13 175.911 0.2 . 1 . . . . 164 R C . 17329 1 988 . 1 1 187 187 ARG CA C 13 56.175 0.2 . 1 . . . . 164 R CA . 17329 1 989 . 1 1 187 187 ARG CB C 13 25.609 0.2 . 1 . . . . 164 R CB . 17329 1 990 . 1 1 187 187 ARG N N 15 115.502 0.1 . 1 . . . . 164 R N . 17329 1 991 . 1 1 188 188 ASP H H 1 8.594 0.01 . 1 . . . . 165 D HN . 17329 1 992 . 1 1 188 188 ASP C C 13 177.716 0.2 . 1 . . . . 165 D C . 17329 1 993 . 1 1 188 188 ASP CA C 13 53.459 0.2 . 1 . . . . 165 D CA . 17329 1 994 . 1 1 188 188 ASP CB C 13 40.471 0.2 . 1 . . . . 165 D CB . 17329 1 995 . 1 1 188 188 ASP N N 15 120.400 0.1 . 1 . . . . 165 D N . 17329 1 996 . 1 1 189 189 GLY H H 1 10.509 0.01 . 1 . . . . 166 G HN . 17329 1 997 . 1 1 189 189 GLY C C 13 173.175 0.2 . 1 . . . . 166 G C . 17329 1 998 . 1 1 189 189 GLY CA C 13 45.109 0.2 . 1 . . . . 166 G CA . 17329 1 999 . 1 1 189 189 GLY N N 15 114.463 0.1 . 1 . . . . 166 G N . 17329 1 1000 . 1 1 190 190 THR H H 1 8.125 0.01 . 1 . . . . 167 T HN . 17329 1 1001 . 1 1 190 190 THR C C 13 173.622 0.2 . 1 . . . . 167 T C . 17329 1 1002 . 1 1 190 190 THR CA C 13 59.294 0.2 . 1 . . . . 167 T CA . 17329 1 1003 . 1 1 190 190 THR CB C 13 72.051 0.2 . 1 . . . . 167 T CB . 17329 1 1004 . 1 1 190 190 THR N N 15 110.752 0.1 . 1 . . . . 167 T N . 17329 1 1005 . 1 1 191 191 ILE H H 1 8.916 0.01 . 1 . . . . 168 I HN . 17329 1 1006 . 1 1 191 191 ILE HD11 H 1 0.702 0.01 . 1 . . . . 168 I HD11 . 17329 1 1007 . 1 1 191 191 ILE HD12 H 1 0.702 0.01 . 1 . . . . 168 I HD11 . 17329 1 1008 . 1 1 191 191 ILE HD13 H 1 0.702 0.01 . 1 . . . . 168 I HD11 . 17329 1 1009 . 1 1 191 191 ILE C C 13 175.352 0.2 . 1 . . . . 168 I C . 17329 1 1010 . 1 1 191 191 ILE CA C 13 56.578 0.2 . 1 . . . . 168 I CA . 17329 1 1011 . 1 1 191 191 ILE CB C 13 37.405 0.2 . 1 . . . . 168 I CB . 17329 1 1012 . 1 1 191 191 ILE CD1 C 13 8.393 0.2 . 1 . . . . 168 I CD1 . 17329 1 1013 . 1 1 191 191 ILE N N 15 125.002 0.1 . 1 . . . . 168 I N . 17329 1 1014 . 1 1 192 192 ASN H H 1 9.065 0.01 . 1 . . . . 169 N HN . 17329 1 1015 . 1 1 192 192 ASN C C 13 175.148 0.2 . 1 . . . . 169 N C . 17329 1 1016 . 1 1 192 192 ASN CA C 13 51.246 0.2 . 1 . . . . 169 N CA . 17329 1 1017 . 1 1 192 192 ASN CB C 13 37.550 0.2 . 1 . . . . 169 N CB . 17329 1 1018 . 1 1 192 192 ASN N N 15 109.861 0.1 . 1 . . . . 169 N N . 17329 1 1019 . 1 1 193 193 LEU H H 1 8.105 0.01 . 1 . . . . 170 L HN . 17329 1 1020 . 1 1 193 193 LEU HD11 H 1 0.445 0.01 . 4 . . . . 170 L HD11 . 17329 1 1021 . 1 1 193 193 LEU HD12 H 1 0.445 0.01 . 4 . . . . 170 L HD11 . 17329 1 1022 . 1 1 193 193 LEU HD13 H 1 0.445 0.01 . 4 . . . . 170 L HD11 . 17329 1 1023 . 1 1 193 193 LEU HD21 H 1 0.524 0.01 . 4 . . . . 170 L HD21 . 17329 1 1024 . 1 1 193 193 LEU HD22 H 1 0.524 0.01 . 4 . . . . 170 L HD21 . 17329 1 1025 . 1 1 193 193 LEU HD23 H 1 0.524 0.01 . 4 . . . . 170 L HD21 . 17329 1 1026 . 1 1 193 193 LEU C C 13 178.442 0.2 . 1 . . . . 170 L C . 17329 1 1027 . 1 1 193 193 LEU CA C 13 58.791 0.2 . 1 . . . . 170 L CA . 17329 1 1028 . 1 1 193 193 LEU CB C 13 40.208 0.2 . 1 . . . . 170 L CB . 17329 1 1029 . 1 1 193 193 LEU CD1 C 13 21.233 0.2 . 2 . . . . 170 L CD1 . 17329 1 1030 . 1 1 193 193 LEU CD2 C 13 23.482 0.2 . 2 . . . . 170 L CD2 . 17329 1 1031 . 1 1 193 193 LEU N N 15 119.955 0.1 . 1 . . . . 170 L N . 17329 1 1032 . 1 1 194 194 SER H H 1 7.780 0.01 . 1 . . . . 171 S HN . 17329 1 1033 . 1 1 194 194 SER C C 13 178.330 0.2 . 1 . . . . 171 S C . 17329 1 1034 . 1 1 194 194 SER CA C 13 61.105 0.2 . 1 . . . . 171 S CA . 17329 1 1035 . 1 1 194 194 SER CB C 13 62.374 0.2 . 1 . . . . 171 S CB . 17329 1 1036 . 1 1 194 194 SER N N 15 114.463 0.1 . 1 . . . . 171 S N . 17329 1 1037 . 1 1 195 195 GLU H H 1 8.540 0.01 . 1 . . . . 172 E HN . 17329 1 1038 . 1 1 195 195 GLU C C 13 179.335 0.2 . 1 . . . . 172 E C . 17329 1 1039 . 1 1 195 195 GLU CA C 13 58.188 0.2 . 1 . . . . 172 E CA . 17329 1 1040 . 1 1 195 195 GLU CB C 13 28.902 0.2 . 1 . . . . 172 E CB . 17329 1 1041 . 1 1 195 195 GLU N N 15 123.963 0.1 . 1 . . . . 172 E N . 17329 1 1042 . 1 1 196 196 PHE H H 1 9.168 0.01 . 1 . . . . 173 F HN . 17329 1 1043 . 1 1 196 196 PHE C C 13 176.488 0.2 . 1 . . . . 173 F C . 17329 1 1044 . 1 1 196 196 PHE CA C 13 60.502 0.2 . 1 . . . . 173 F CA . 17329 1 1045 . 1 1 196 196 PHE CB C 13 39.190 0.2 . 1 . . . . 173 F CB . 17329 1 1046 . 1 1 196 196 PHE N N 15 122.627 0.1 . 1 . . . . 173 F N . 17329 1 1047 . 1 1 197 197 GLN H H 1 7.931 0.01 . 1 . . . . 174 Q HN . 17329 1 1048 . 1 1 197 197 GLN C C 13 178.461 0.2 . 1 . . . . 174 Q C . 17329 1 1049 . 1 1 197 197 GLN CA C 13 58.489 0.2 . 1 . . . . 174 Q CA . 17329 1 1050 . 1 1 197 197 GLN CB C 13 27.088 0.2 . 1 . . . . 174 Q CB . 17329 1 1051 . 1 1 197 197 GLN N N 15 116.244 0.1 . 1 . . . . 174 Q N . 17329 1 1052 . 1 1 198 198 HIS H H 1 7.511 0.01 . 1 . . . . 175 H HN . 17329 1 1053 . 1 1 198 198 HIS C C 13 178.330 0.2 . 1 . . . . 175 H C . 17329 1 1054 . 1 1 198 198 HIS CA C 13 59.596 0.2 . 1 . . . . 175 H CA . 17329 1 1055 . 1 1 198 198 HIS CB C 13 30.171 0.2 . 1 . . . . 175 H CB . 17329 1 1056 . 1 1 198 198 HIS N N 15 119.510 0.1 . 1 . . . . 175 H N . 17329 1 1057 . 1 1 199 199 VAL H H 1 7.862 0.01 . 1 . . . . 176 V HN . 17329 1 1058 . 1 1 199 199 VAL HG11 H 1 0.748 0.01 . 4 . . . . 176 V HG11 . 17329 1 1059 . 1 1 199 199 VAL HG12 H 1 0.748 0.01 . 4 . . . . 176 V HG11 . 17329 1 1060 . 1 1 199 199 VAL HG13 H 1 0.748 0.01 . 4 . . . . 176 V HG11 . 17329 1 1061 . 1 1 199 199 VAL HG21 H 1 1.154 0.01 . 4 . . . . 176 V HG21 . 17329 1 1062 . 1 1 199 199 VAL HG22 H 1 1.154 0.01 . 4 . . . . 176 V HG21 . 17329 1 1063 . 1 1 199 199 VAL HG23 H 1 1.154 0.01 . 4 . . . . 176 V HG21 . 17329 1 1064 . 1 1 199 199 VAL C C 13 178.647 0.2 . 1 . . . . 176 V C . 17329 1 1065 . 1 1 199 199 VAL CA C 13 65.633 0.2 . 1 . . . . 176 V CA . 17329 1 1066 . 1 1 199 199 VAL CB C 13 30.581 0.2 . 1 . . . . 176 V CB . 17329 1 1067 . 1 1 199 199 VAL CG1 C 13 19.057 0.2 . 2 . . . . 176 V CG1 . 17329 1 1068 . 1 1 199 199 VAL CG2 C 13 21.544 0.2 . 2 . . . . 176 V CG2 . 17329 1 1069 . 1 1 199 199 VAL N N 15 121.588 0.1 . 1 . . . . 176 V N . 17329 1 1070 . 1 1 200 200 ILE H H 1 7.600 0.01 . 1 . . . . 177 I HN . 17329 1 1071 . 1 1 200 200 ILE HD11 H 1 0.419 0.01 . 1 . . . . 177 I HD11 . 17329 1 1072 . 1 1 200 200 ILE HD12 H 1 0.419 0.01 . 1 . . . . 177 I HD11 . 17329 1 1073 . 1 1 200 200 ILE HD13 H 1 0.419 0.01 . 1 . . . . 177 I HD11 . 17329 1 1074 . 1 1 200 200 ILE C C 13 177.698 0.2 . 1 . . . . 177 I C . 17329 1 1075 . 1 1 200 200 ILE CA C 13 62.413 0.2 . 1 . . . . 177 I CA . 17329 1 1076 . 1 1 200 200 ILE CB C 13 35.999 0.2 . 1 . . . . 177 I CB . 17329 1 1077 . 1 1 200 200 ILE CD1 C 13 10.861 0.2 . 1 . . . . 177 I CD1 . 17329 1 1078 . 1 1 200 200 ILE N N 15 114.166 0.1 . 1 . . . . 177 I N . 17329 1 1079 . 1 1 201 201 SER H H 1 7.372 0.01 . 1 . . . . 178 S HN . 17329 1 1080 . 1 1 201 201 SER C C 13 175.371 0.2 . 1 . . . . 178 S C . 17329 1 1081 . 1 1 201 201 SER CA C 13 60.502 0.2 . 1 . . . . 178 S CA . 17329 1 1082 . 1 1 201 201 SER CB C 13 62.999 0.2 . 1 . . . . 178 S CB . 17329 1 1083 . 1 1 201 201 SER N N 15 116.689 0.1 . 1 . . . . 178 S N . 17329 1 1084 . 1 1 202 202 ARG H H 1 7.263 0.01 . 1 . . . . 179 R HN . 17329 1 1085 . 1 1 202 202 ARG C C 13 176.060 0.2 . 1 . . . . 179 R C . 17329 1 1086 . 1 1 202 202 ARG CA C 13 56.075 0.2 . 1 . . . . 179 R CA . 17329 1 1087 . 1 1 202 202 ARG CB C 13 29.548 0.2 . 1 . . . . 179 R CB . 17329 1 1088 . 1 1 202 202 ARG N N 15 119.510 0.1 . 1 . . . . 179 R N . 17329 1 1089 . 1 1 203 203 SER H H 1 7.533 0.01 . 1 . . . . 180 S HN . 17329 1 1090 . 1 1 203 203 SER C C 13 172.457 0.2 . 1 . . . . 180 S C . 17329 1 1091 . 1 1 203 203 SER CA C 13 55.371 0.2 . 1 . . . . 180 S CA . 17329 1 1092 . 1 1 203 203 SER CB C 13 63.562 0.2 . 1 . . . . 180 S CB . 17329 1 1093 . 1 1 203 203 SER N N 15 115.502 0.1 . 1 . . . . 180 S N . 17329 1 1094 . 1 1 205 205 ASP C C 13 177.747 0.2 . 1 . . . . 182 D C . 17329 1 1095 . 1 1 205 205 ASP CA C 13 54.756 0.2 . 1 . . . . 182 D CA . 17329 1 1096 . 1 1 205 205 ASP CB C 13 39.987 0.2 . 1 . . . . 182 D CB . 17329 1 1097 . 1 1 206 206 PHE H H 1 7.897 0.01 . 1 . . . . 183 F HN . 17329 1 1098 . 1 1 206 206 PHE C C 13 176.329 0.2 . 1 . . . . 183 F C . 17329 1 1099 . 1 1 206 206 PHE CA C 13 59.744 0.2 . 1 . . . . 183 F CA . 17329 1 1100 . 1 1 206 206 PHE CB C 13 38.120 0.2 . 1 . . . . 183 F CB . 17329 1 1101 . 1 1 206 206 PHE N N 15 120.697 0.1 . 1 . . . . 183 F N . 17329 1 1102 . 1 1 207 207 ALA H H 1 7.938 0.01 . 1 . . . . 184 A HN . 17329 1 1103 . 1 1 207 207 ALA C C 13 178.777 0.2 . 1 . . . . 184 A C . 17329 1 1104 . 1 1 207 207 ALA CA C 13 53.250 0.2 . 1 . . . . 184 A CA . 17329 1 1105 . 1 1 207 207 ALA CB C 13 17.546 0.2 . 1 . . . . 184 A CB . 17329 1 1106 . 1 1 207 207 ALA N N 15 121.440 0.1 . 1 . . . . 184 A N . 17329 1 1107 . 1 1 208 208 SER H H 1 7.799 0.01 . 1 . . . . 185 S HN . 17329 1 1108 . 1 1 208 208 SER C C 13 176.127 0.2 . 1 . . . . 185 S C . 17329 1 1109 . 1 1 208 208 SER CA C 13 60.512 0.2 . 1 . . . . 185 S CA . 17329 1 1110 . 1 1 208 208 SER CB C 13 62.609 0.2 . 1 . . . . 185 S CB . 17329 1 1111 . 1 1 208 208 SER N N 15 114.018 0.1 . 1 . . . . 185 S N . 17329 1 1112 . 1 1 209 209 SER H H 1 7.743 0.01 . 1 . . . . 186 S HN . 17329 1 1113 . 1 1 209 209 SER C C 13 173.971 0.2 . 1 . . . . 186 S C . 17329 1 1114 . 1 1 209 209 SER CA C 13 60.373 0.2 . 1 . . . . 186 S CA . 17329 1 1115 . 1 1 209 209 SER CB C 13 63.024 0.2 . 1 . . . . 186 S CB . 17329 1 1116 . 1 1 209 209 SER N N 15 116.689 0.1 . 1 . . . . 186 S N . 17329 1 1117 . 1 1 210 210 PHE H H 1 7.237 0.01 . 1 . . . . 187 F HN . 17329 1 1118 . 1 1 210 210 PHE C C 13 173.690 0.2 . 1 . . . . 187 F C . 17329 1 1119 . 1 1 210 210 PHE CA C 13 55.943 0.2 . 1 . . . . 187 F CA . 17329 1 1120 . 1 1 210 210 PHE CB C 13 37.586 0.2 . 1 . . . . 187 F CB . 17329 1 1121 . 1 1 210 210 PHE N N 15 119.213 0.1 . 1 . . . . 187 F N . 17329 1 1122 . 1 1 211 211 LYS H H 1 7.079 0.01 . 1 . . . . 188 K HN . 17329 1 1123 . 1 1 211 211 LYS C C 13 175.599 0.2 . 1 . . . . 188 K C . 17329 1 1124 . 1 1 211 211 LYS CA C 13 56.075 0.2 . 1 . . . . 188 K CA . 17329 1 1125 . 1 1 211 211 LYS CB C 13 32.242 0.2 . 1 . . . . 188 K CB . 17329 1 1126 . 1 1 211 211 LYS N N 15 119.361 0.1 . 1 . . . . 188 K N . 17329 1 1127 . 1 1 212 212 ILE HD11 H 1 0.699 0.01 . 1 . . . . 189 I HD11 . 17329 1 1128 . 1 1 212 212 ILE HD12 H 1 0.699 0.01 . 1 . . . . 189 I HD11 . 17329 1 1129 . 1 1 212 212 ILE HD13 H 1 0.699 0.01 . 1 . . . . 189 I HD11 . 17329 1 1130 . 1 1 212 212 ILE C C 13 174.428 0.2 . 1 . . . . 189 I C . 17329 1 1131 . 1 1 212 212 ILE CA C 13 60.284 0.2 . 1 . . . . 189 I CA . 17329 1 1132 . 1 1 212 212 ILE CB C 13 38.191 0.2 . 1 . . . . 189 I CB . 17329 1 1133 . 1 1 212 212 ILE CD1 C 13 10.669 0.2 . 1 . . . . 189 I CD1 . 17329 1 1134 . 1 1 213 213 VAL H H 1 8.001 0.01 . 1 . . . . 190 V HN . 17329 1 1135 . 1 1 213 213 VAL HG11 H 1 0.971 0.01 . 4 . . . . 190 V HG11 . 17329 1 1136 . 1 1 213 213 VAL HG12 H 1 0.971 0.01 . 4 . . . . 190 V HG11 . 17329 1 1137 . 1 1 213 213 VAL HG13 H 1 0.971 0.01 . 4 . . . . 190 V HG11 . 17329 1 1138 . 1 1 213 213 VAL HG21 H 1 0.929 0.01 . 4 . . . . 190 V HG21 . 17329 1 1139 . 1 1 213 213 VAL HG22 H 1 0.929 0.01 . 4 . . . . 190 V HG21 . 17329 1 1140 . 1 1 213 213 VAL HG23 H 1 0.929 0.01 . 4 . . . . 190 V HG21 . 17329 1 1141 . 1 1 213 213 VAL C C 13 174.558 0.2 . 1 . . . . 190 V C . 17329 1 1142 . 1 1 213 213 VAL CA C 13 61.175 0.2 . 1 . . . . 190 V CA . 17329 1 1143 . 1 1 213 213 VAL CB C 13 32.744 0.2 . 1 . . . . 190 V CB . 17329 1 1144 . 1 1 213 213 VAL CG1 C 13 19.556 0.2 . 2 . . . . 190 V CG1 . 17329 1 1145 . 1 1 213 213 VAL CG2 C 13 18.961 0.2 . 2 . . . . 190 V CG2 . 17329 1 1146 . 1 1 213 213 VAL N N 15 124.557 0.1 . 1 . . . . 190 V N . 17329 1 1147 . 1 1 214 214 LEU H H 1 7.864 0.01 . 1 . . . . 191 L HN . 17329 1 1148 . 1 1 214 214 LEU HD11 H 1 0.749 0.01 . 4 . . . . 191 L HD11 . 17329 1 1149 . 1 1 214 214 LEU HD12 H 1 0.749 0.01 . 4 . . . . 191 L HD11 . 17329 1 1150 . 1 1 214 214 LEU HD13 H 1 0.749 0.01 . 4 . . . . 191 L HD11 . 17329 1 1151 . 1 1 214 214 LEU C C 13 181.671 0.2 . 1 . . . . 191 L C . 17329 1 1152 . 1 1 214 214 LEU CA C 13 55.709 0.2 . 1 . . . . 191 L CA . 17329 1 1153 . 1 1 214 214 LEU CB C 13 42.163 0.2 . 1 . . . . 191 L CB . 17329 1 1154 . 1 1 214 214 LEU CD1 C 13 20.924 0.2 . 2 . . . . 191 L CD1 . 17329 1 1155 . 1 1 214 214 LEU N N 15 130.643 0.1 . 1 . . . . 191 L N . 17329 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 5 17329 1 1 6 17329 1 1 7 17329 1 1 8 17329 1 1 9 17329 1 1 10 17329 1 2 31 17329 1 2 32 17329 1 2 33 17329 1 2 34 17329 1 2 35 17329 1 2 36 17329 1 3 44 17329 1 3 45 17329 1 3 46 17329 1 3 47 17329 1 3 48 17329 1 3 49 17329 1 4 82 17329 1 4 83 17329 1 4 84 17329 1 4 85 17329 1 4 86 17329 1 4 87 17329 1 5 105 17329 1 5 106 17329 1 5 107 17329 1 5 108 17329 1 5 109 17329 1 5 110 17329 1 6 147 17329 1 6 148 17329 1 6 149 17329 1 6 150 17329 1 6 151 17329 1 6 152 17329 1 7 160 17329 1 7 161 17329 1 7 162 17329 1 7 163 17329 1 7 164 17329 1 7 165 17329 1 8 208 17329 1 8 209 17329 1 8 210 17329 1 8 211 17329 1 8 212 17329 1 8 213 17329 1 9 221 17329 1 9 222 17329 1 9 223 17329 1 9 224 17329 1 9 225 17329 1 9 226 17329 1 10 254 17329 1 10 255 17329 1 10 256 17329 1 10 257 17329 1 10 258 17329 1 10 259 17329 1 11 281 17329 1 11 282 17329 1 11 283 17329 1 11 284 17329 1 11 285 17329 1 11 286 17329 1 12 309 17329 1 12 310 17329 1 12 311 17329 1 12 312 17329 1 12 313 17329 1 12 314 17329 1 13 349 17329 1 13 350 17329 1 13 351 17329 1 13 352 17329 1 13 353 17329 1 13 354 17329 1 14 367 17329 1 14 368 17329 1 14 369 17329 1 14 370 17329 1 14 371 17329 1 14 372 17329 1 15 388 17329 1 15 389 17329 1 15 390 17329 1 15 391 17329 1 15 392 17329 1 15 393 17329 1 16 456 17329 1 16 457 17329 1 16 458 17329 1 16 459 17329 1 16 460 17329 1 16 461 17329 1 17 507 17329 1 17 508 17329 1 17 509 17329 1 17 510 17329 1 17 511 17329 1 17 512 17329 1 18 545 17329 1 18 546 17329 1 18 547 17329 1 18 548 17329 1 18 549 17329 1 18 550 17329 1 19 563 17329 1 19 564 17329 1 19 565 17329 1 19 566 17329 1 19 567 17329 1 19 568 17329 1 20 576 17329 1 20 577 17329 1 20 578 17329 1 20 579 17329 1 20 580 17329 1 20 581 17329 1 21 593 17329 1 21 594 17329 1 21 595 17329 1 21 596 17329 1 21 597 17329 1 21 598 17329 1 22 725 17329 1 22 726 17329 1 22 727 17329 1 22 728 17329 1 22 729 17329 1 22 730 17329 1 23 756 17329 1 23 757 17329 1 23 758 17329 1 23 759 17329 1 23 760 17329 1 23 761 17329 1 24 779 17329 1 24 780 17329 1 24 781 17329 1 24 782 17329 1 24 783 17329 1 24 784 17329 1 25 792 17329 1 25 793 17329 1 25 794 17329 1 25 795 17329 1 25 796 17329 1 25 797 17329 1 26 815 17329 1 26 816 17329 1 26 817 17329 1 26 818 17329 1 26 819 17329 1 26 820 17329 1 27 859 17329 1 27 860 17329 1 27 861 17329 1 27 862 17329 1 27 863 17329 1 27 864 17329 1 28 899 17329 1 28 900 17329 1 28 901 17329 1 28 902 17329 1 28 903 17329 1 28 904 17329 1 29 940 17329 1 29 941 17329 1 29 942 17329 1 29 943 17329 1 29 944 17329 1 29 945 17329 1 30 1020 17329 1 30 1021 17329 1 30 1022 17329 1 30 1023 17329 1 30 1024 17329 1 30 1025 17329 1 31 1058 17329 1 31 1059 17329 1 31 1060 17329 1 31 1061 17329 1 31 1062 17329 1 31 1063 17329 1 32 1135 17329 1 32 1136 17329 1 32 1137 17329 1 32 1138 17329 1 32 1139 17329 1 32 1140 17329 1 33 1148 17329 1 33 1149 17329 1 33 1150 17329 1 stop_ save_