data_17328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17328 _Entry.Title ; magnesium 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 . . . 17328 2 Hans Vogel . J. . 17328 3 Hiroaki Ishida . . . 17328 4 Aaron Yamniuk . P. . 17328 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17328 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'calcium and integrin binding protein 1' . 17328 integrin . 17328 magnesium . 17328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 515 17328 '15N chemical shifts' 131 17328 '1H chemical shifts' 353 17328 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' 17328 1 . . 2011-03-30 2010-11-30 original author 'original release' 17328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17329 'calcium bound CIB1' 17328 PDB 1XO5 'crystal str. of Ca-CIB1' 17328 PDB 2L4I 'solution str. of Ca-CIB1' 17328 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17328 _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 . . . 17328 1 2 Hiroaki Ishida . . . 17328 1 3 Aaron Yamniuk . P. . 17328 1 4 Hans Vogel . J. . 17328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17328 _Assembly.ID 1 _Assembly.Name CIB1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CIB1 1 $CIB1 A . yes native no no . . . 17328 1 2 'MAGNESIUM ION_1' 2 $MG B . no native no no . . . 17328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CIB1 _Entity.Sf_category entity _Entity.Sf_framecode CIB1 _Entity.Entry_ID 17328 _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17254.592 _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 17329 . CIB1 . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17328 1 2 no BMRB 18099 . CIB1 . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17328 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 . . . . 17328 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 . . . . 17328 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 . . . . 17328 1 6 no PDB 1Y1A . "Crystal Structure Of Calcium And Integrin Binding Protein" . . . . . 85.51 183 100.00 100.00 5.10e-126 . . . . 17328 1 7 no PDB 2L4H . "The Solution Structure Of Calcium Bound Cib1" . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17328 1 8 no PDB 2L4I . "The Solution Structure Of Magnesium Bound Cib1" . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 17328 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 . . . . 17328 1 10 no DBJ BAA36281 . "KIP [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 17328 1 11 no DBJ BAG70090 . "calcium and integrin binding 1 [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17328 1 12 no DBJ BAG70220 . "calcium and integrin binding 1 [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17328 1 13 no DBJ BAG72967 . "calcium and integrin binding 1 [synthetic construct]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17328 1 14 no EMBL CAG33236 . "CIB1 [Homo sapiens]" . . . . . 89.25 191 99.48 99.48 7.20e-132 . . . . 17328 1 15 no GB AAB39758 . "Snk interacting protein 2-28 [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 17328 1 16 no GB AAB53387 . "DNA-PK interaction protein [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 17328 1 17 no GB AAC51106 . "calcium and integrin binding protein CIB [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17328 1 18 no GB AAH00846 . "Calcium and integrin binding 1 (calmyrin) [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17328 1 19 no GB ABM82122 . "calcium and integrin binding 1 (calmyrin) [synthetic construct]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 17328 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 . . . . 17328 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 . . . . 17328 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 . . . . 17328 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 . . . . 17328 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 . . . . 17328 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 . . . . 17328 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 . 17328 1 2 -21 GLY . 17328 1 3 -20 HIS . 17328 1 4 -19 HIS . 17328 1 5 -18 HIS . 17328 1 6 -17 HIS . 17328 1 7 -16 HIS . 17328 1 8 -15 HIS . 17328 1 9 -14 HIS . 17328 1 10 -13 HIS . 17328 1 11 -12 HIS . 17328 1 12 -11 HIS . 17328 1 13 -10 SER . 17328 1 14 -9 SER . 17328 1 15 -8 GLY . 17328 1 16 -7 HIS . 17328 1 17 -6 ILE . 17328 1 18 -5 ASP . 17328 1 19 -4 ASP . 17328 1 20 -3 ASP . 17328 1 21 -2 ASP . 17328 1 22 -1 LYS . 17328 1 23 0 HIS . 17328 1 24 1 MET . 17328 1 25 2 GLY . 17328 1 26 3 GLY . 17328 1 27 4 SER . 17328 1 28 5 GLY . 17328 1 29 6 SER . 17328 1 30 7 ARG . 17328 1 31 8 LEU . 17328 1 32 9 SER . 17328 1 33 10 LYS . 17328 1 34 11 GLU . 17328 1 35 12 LEU . 17328 1 36 13 LEU . 17328 1 37 14 ALA . 17328 1 38 15 GLU . 17328 1 39 16 TYR . 17328 1 40 17 GLN . 17328 1 41 18 ASP . 17328 1 42 19 LEU . 17328 1 43 20 THR . 17328 1 44 21 PHE . 17328 1 45 22 LEU . 17328 1 46 23 THR . 17328 1 47 24 LYS . 17328 1 48 25 GLN . 17328 1 49 26 GLU . 17328 1 50 27 ILE . 17328 1 51 28 LEU . 17328 1 52 29 LEU . 17328 1 53 30 ALA . 17328 1 54 31 HIS . 17328 1 55 32 ARG . 17328 1 56 33 ARG . 17328 1 57 34 PHE . 17328 1 58 35 CYS . 17328 1 59 36 GLU . 17328 1 60 37 LEU . 17328 1 61 38 LEU . 17328 1 62 39 PRO . 17328 1 63 40 GLN . 17328 1 64 41 GLU . 17328 1 65 42 GLN . 17328 1 66 43 ARG . 17328 1 67 44 SER . 17328 1 68 45 VAL . 17328 1 69 46 GLU . 17328 1 70 47 SER . 17328 1 71 48 SER . 17328 1 72 49 LEU . 17328 1 73 50 ARG . 17328 1 74 51 ALA . 17328 1 75 52 GLN . 17328 1 76 53 VAL . 17328 1 77 54 PRO . 17328 1 78 55 PHE . 17328 1 79 56 GLU . 17328 1 80 57 GLN . 17328 1 81 58 ILE . 17328 1 82 59 LEU . 17328 1 83 60 SER . 17328 1 84 61 LEU . 17328 1 85 62 PRO . 17328 1 86 63 GLU . 17328 1 87 64 LEU . 17328 1 88 65 LYS . 17328 1 89 66 ALA . 17328 1 90 67 ASN . 17328 1 91 68 PRO . 17328 1 92 69 PHE . 17328 1 93 70 LYS . 17328 1 94 71 GLU . 17328 1 95 72 ARG . 17328 1 96 73 ILE . 17328 1 97 74 CYS . 17328 1 98 75 ARG . 17328 1 99 76 VAL . 17328 1 100 77 PHE . 17328 1 101 78 SER . 17328 1 102 79 THR . 17328 1 103 80 SER . 17328 1 104 81 PRO . 17328 1 105 82 ALA . 17328 1 106 83 LYS . 17328 1 107 84 ASP . 17328 1 108 85 SER . 17328 1 109 86 LEU . 17328 1 110 87 SER . 17328 1 111 88 PHE . 17328 1 112 89 GLU . 17328 1 113 90 ASP . 17328 1 114 91 PHE . 17328 1 115 92 LEU . 17328 1 116 93 ASP . 17328 1 117 94 LEU . 17328 1 118 95 LEU . 17328 1 119 96 SER . 17328 1 120 97 VAL . 17328 1 121 98 PHE . 17328 1 122 99 SER . 17328 1 123 100 ASP . 17328 1 124 101 THR . 17328 1 125 102 ALA . 17328 1 126 103 THR . 17328 1 127 104 PRO . 17328 1 128 105 ASP . 17328 1 129 106 ILE . 17328 1 130 107 LYS . 17328 1 131 108 SER . 17328 1 132 109 HIS . 17328 1 133 110 TYR . 17328 1 134 111 ALA . 17328 1 135 112 PHE . 17328 1 136 113 ARG . 17328 1 137 114 ILE . 17328 1 138 115 PHE . 17328 1 139 116 ASP . 17328 1 140 117 PHE . 17328 1 141 118 ASP . 17328 1 142 119 ASP . 17328 1 143 120 ASP . 17328 1 144 121 GLY . 17328 1 145 122 THR . 17328 1 146 123 LEU . 17328 1 147 124 ASN . 17328 1 148 125 ARG . 17328 1 149 126 GLU . 17328 1 150 127 ASP . 17328 1 151 128 LEU . 17328 1 152 129 SER . 17328 1 153 130 ARG . 17328 1 154 131 LEU . 17328 1 155 132 VAL . 17328 1 156 133 ASN . 17328 1 157 134 CYS . 17328 1 158 135 LEU . 17328 1 159 136 THR . 17328 1 160 137 GLY . 17328 1 161 138 GLU . 17328 1 162 139 GLY . 17328 1 163 140 GLU . 17328 1 164 141 ASP . 17328 1 165 142 THR . 17328 1 166 143 ARG . 17328 1 167 144 LEU . 17328 1 168 145 SER . 17328 1 169 146 ALA . 17328 1 170 147 SER . 17328 1 171 148 GLU . 17328 1 172 149 MET . 17328 1 173 150 LYS . 17328 1 174 151 GLN . 17328 1 175 152 LEU . 17328 1 176 153 ILE . 17328 1 177 154 ASP . 17328 1 178 155 ASN . 17328 1 179 156 ILE . 17328 1 180 157 LEU . 17328 1 181 158 GLU . 17328 1 182 159 GLU . 17328 1 183 160 SER . 17328 1 184 161 ASP . 17328 1 185 162 ILE . 17328 1 186 163 ASP . 17328 1 187 164 ARG . 17328 1 188 165 ASP . 17328 1 189 166 GLY . 17328 1 190 167 THR . 17328 1 191 168 ILE . 17328 1 192 169 ASN . 17328 1 193 170 LEU . 17328 1 194 171 SER . 17328 1 195 172 GLU . 17328 1 196 173 PHE . 17328 1 197 174 GLN . 17328 1 198 175 HIS . 17328 1 199 176 VAL . 17328 1 200 177 ILE . 17328 1 201 178 SER . 17328 1 202 179 ARG . 17328 1 203 180 SER . 17328 1 204 181 PRO . 17328 1 205 182 ASP . 17328 1 206 183 PHE . 17328 1 207 184 ALA . 17328 1 208 185 SER . 17328 1 209 186 SER . 17328 1 210 187 PHE . 17328 1 211 188 LYS . 17328 1 212 189 ILE . 17328 1 213 190 VAL . 17328 1 214 191 LEU . 17328 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 17328 1 . GLY 2 2 17328 1 . HIS 3 3 17328 1 . HIS 4 4 17328 1 . HIS 5 5 17328 1 . HIS 6 6 17328 1 . HIS 7 7 17328 1 . HIS 8 8 17328 1 . HIS 9 9 17328 1 . HIS 10 10 17328 1 . HIS 11 11 17328 1 . HIS 12 12 17328 1 . SER 13 13 17328 1 . SER 14 14 17328 1 . GLY 15 15 17328 1 . HIS 16 16 17328 1 . ILE 17 17 17328 1 . ASP 18 18 17328 1 . ASP 19 19 17328 1 . ASP 20 20 17328 1 . ASP 21 21 17328 1 . LYS 22 22 17328 1 . HIS 23 23 17328 1 . MET 24 24 17328 1 . GLY 25 25 17328 1 . GLY 26 26 17328 1 . SER 27 27 17328 1 . GLY 28 28 17328 1 . SER 29 29 17328 1 . ARG 30 30 17328 1 . LEU 31 31 17328 1 . SER 32 32 17328 1 . LYS 33 33 17328 1 . GLU 34 34 17328 1 . LEU 35 35 17328 1 . LEU 36 36 17328 1 . ALA 37 37 17328 1 . GLU 38 38 17328 1 . TYR 39 39 17328 1 . GLN 40 40 17328 1 . ASP 41 41 17328 1 . LEU 42 42 17328 1 . THR 43 43 17328 1 . PHE 44 44 17328 1 . LEU 45 45 17328 1 . THR 46 46 17328 1 . LYS 47 47 17328 1 . GLN 48 48 17328 1 . GLU 49 49 17328 1 . ILE 50 50 17328 1 . LEU 51 51 17328 1 . LEU 52 52 17328 1 . ALA 53 53 17328 1 . HIS 54 54 17328 1 . ARG 55 55 17328 1 . ARG 56 56 17328 1 . PHE 57 57 17328 1 . CYS 58 58 17328 1 . GLU 59 59 17328 1 . LEU 60 60 17328 1 . LEU 61 61 17328 1 . PRO 62 62 17328 1 . GLN 63 63 17328 1 . GLU 64 64 17328 1 . GLN 65 65 17328 1 . ARG 66 66 17328 1 . SER 67 67 17328 1 . VAL 68 68 17328 1 . GLU 69 69 17328 1 . SER 70 70 17328 1 . SER 71 71 17328 1 . LEU 72 72 17328 1 . ARG 73 73 17328 1 . ALA 74 74 17328 1 . GLN 75 75 17328 1 . VAL 76 76 17328 1 . PRO 77 77 17328 1 . PHE 78 78 17328 1 . GLU 79 79 17328 1 . GLN 80 80 17328 1 . ILE 81 81 17328 1 . LEU 82 82 17328 1 . SER 83 83 17328 1 . LEU 84 84 17328 1 . PRO 85 85 17328 1 . GLU 86 86 17328 1 . LEU 87 87 17328 1 . LYS 88 88 17328 1 . ALA 89 89 17328 1 . ASN 90 90 17328 1 . PRO 91 91 17328 1 . PHE 92 92 17328 1 . LYS 93 93 17328 1 . GLU 94 94 17328 1 . ARG 95 95 17328 1 . ILE 96 96 17328 1 . CYS 97 97 17328 1 . ARG 98 98 17328 1 . VAL 99 99 17328 1 . PHE 100 100 17328 1 . SER 101 101 17328 1 . THR 102 102 17328 1 . SER 103 103 17328 1 . PRO 104 104 17328 1 . ALA 105 105 17328 1 . LYS 106 106 17328 1 . ASP 107 107 17328 1 . SER 108 108 17328 1 . LEU 109 109 17328 1 . SER 110 110 17328 1 . PHE 111 111 17328 1 . GLU 112 112 17328 1 . ASP 113 113 17328 1 . PHE 114 114 17328 1 . LEU 115 115 17328 1 . ASP 116 116 17328 1 . LEU 117 117 17328 1 . LEU 118 118 17328 1 . SER 119 119 17328 1 . VAL 120 120 17328 1 . PHE 121 121 17328 1 . SER 122 122 17328 1 . ASP 123 123 17328 1 . THR 124 124 17328 1 . ALA 125 125 17328 1 . THR 126 126 17328 1 . PRO 127 127 17328 1 . ASP 128 128 17328 1 . ILE 129 129 17328 1 . LYS 130 130 17328 1 . SER 131 131 17328 1 . HIS 132 132 17328 1 . TYR 133 133 17328 1 . ALA 134 134 17328 1 . PHE 135 135 17328 1 . ARG 136 136 17328 1 . ILE 137 137 17328 1 . PHE 138 138 17328 1 . ASP 139 139 17328 1 . PHE 140 140 17328 1 . ASP 141 141 17328 1 . ASP 142 142 17328 1 . ASP 143 143 17328 1 . GLY 144 144 17328 1 . THR 145 145 17328 1 . LEU 146 146 17328 1 . ASN 147 147 17328 1 . ARG 148 148 17328 1 . GLU 149 149 17328 1 . ASP 150 150 17328 1 . LEU 151 151 17328 1 . SER 152 152 17328 1 . ARG 153 153 17328 1 . LEU 154 154 17328 1 . VAL 155 155 17328 1 . ASN 156 156 17328 1 . CYS 157 157 17328 1 . LEU 158 158 17328 1 . THR 159 159 17328 1 . GLY 160 160 17328 1 . GLU 161 161 17328 1 . GLY 162 162 17328 1 . GLU 163 163 17328 1 . ASP 164 164 17328 1 . THR 165 165 17328 1 . ARG 166 166 17328 1 . LEU 167 167 17328 1 . SER 168 168 17328 1 . ALA 169 169 17328 1 . SER 170 170 17328 1 . GLU 171 171 17328 1 . MET 172 172 17328 1 . LYS 173 173 17328 1 . GLN 174 174 17328 1 . LEU 175 175 17328 1 . ILE 176 176 17328 1 . ASP 177 177 17328 1 . ASN 178 178 17328 1 . ILE 179 179 17328 1 . LEU 180 180 17328 1 . GLU 181 181 17328 1 . GLU 182 182 17328 1 . SER 183 183 17328 1 . ASP 184 184 17328 1 . ILE 185 185 17328 1 . ASP 186 186 17328 1 . ARG 187 187 17328 1 . ASP 188 188 17328 1 . GLY 189 189 17328 1 . THR 190 190 17328 1 . ILE 191 191 17328 1 . ASN 192 192 17328 1 . LEU 193 193 17328 1 . SER 194 194 17328 1 . GLU 195 195 17328 1 . PHE 196 196 17328 1 . GLN 197 197 17328 1 . HIS 198 198 17328 1 . VAL 199 199 17328 1 . ILE 200 200 17328 1 . SER 201 201 17328 1 . ARG 202 202 17328 1 . SER 203 203 17328 1 . PRO 204 204 17328 1 . ASP 205 205 17328 1 . PHE 206 206 17328 1 . ALA 207 207 17328 1 . SER 208 208 17328 1 . SER 209 209 17328 1 . PHE 210 210 17328 1 . LYS 211 211 17328 1 . ILE 212 212 17328 1 . VAL 213 213 17328 1 . LEU 214 214 17328 1 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 17328 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MG _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 MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . MG . 17328 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 17328 _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 . . . . . . . . . . . . . . . . . . . . . 17328 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 17328 _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 . . . . . . 17328 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 17328 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _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 . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _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 PDBJ _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 Dec 6 14:03:51 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 17328 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 17328 MG [Mg++] SMILES CACTVS 3.341 17328 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 17328 MG [Mg+2] SMILES ACDLabs 10.04 17328 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 17328 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17328 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 17328 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17328 MG 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 MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17328 MG 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 17328 _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 . . . . 17328 1 2 'MAGNESIUM ION' 'natural abundance' . . 2 $MG . . 5 . . mM . . . . 17328 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17328 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17328 1 5 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/mL . . . . 17328 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17328 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17328 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 17328 _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 labeled [U, 2H]' . . 1 $CIB1 . . 0.5 . . mM . . . . 17328 2 2 'MAGNESIUM ION' 'natural abundance' . . 2 $MG . . 5 . . mM . . . . 17328 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17328 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17328 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17328 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17328 2 stop_ save_ save_CIB1_for_methyl_assignment _Sample.Sf_category sample _Sample.Sf_framecode CIB1_for_methyl_assignment _Sample.Entry_ID 17328 _Sample.ID 3 _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 'I/L/V methyl labeled [U, 2H,13C]' . . 1 $CIB1 . . 0.5 . . mM . . . . 17328 3 2 'MAGNESIUM ION' 'natural abundance' . . 2 $MG . . 5 . . mM . . . . 17328 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17328 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17328 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17328 3 stop_ save_ save_CIB1_for_backbone_assignment _Sample.Sf_category sample _Sample.Sf_framecode CIB1_for_backbone_assignment _Sample.Entry_ID 17328 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CIB1 '[U-13C; U-15N; U-2H]' . . 1 $CIB1 . . 0.5 . . mM . . . . 17328 4 2 'MAGNESIUM ION' 'natural abundance' . . 2 $MG . . 5 . . mM . . . . 17328 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17328 4 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17328 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17328 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17328 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 17328 _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 17328 1 pH 7.5 . pH 17328 1 pressure 1 . atm 17328 1 temperature 310 . K 17328 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17328 _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' . . 17328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17328 1 'structure solution' 17328 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17328 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17328 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17328 2 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 17328 _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 17328 _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 . . . 17328 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 17328 _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 IPAP-HSQC' no . . . . . . . . . . 1 $CIB1_for_backbone_RDC anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 2 '3D HNCO type IPAP' no . . . . . . . . . . 1 $CIB1_for_backbone_RDC anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $CIB1_with_I_L_V_methyl_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $CIB1_with_I_L_V_methyl_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 5 '3D HNCO' no . . . . . . . . . . 4 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 6 '3D HN(CA)CO' no . . . . . . . . . . 4 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 7 '3D HNCACB' no . . . . . . . . . . 4 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $CIB1_for_backbone_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $CIB1_for_methyl_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17328 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 17328 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS was used as the standard' 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 . . . 1 $entry_citation . . 1 $entry_citation 17328 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17328 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17328 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 17328 _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' . . . 17328 1 6 '3D HN(CA)CO' . . . 17328 1 7 '3D HNCACB' . . . 17328 1 8 '3D CBCA(CO)NH' . . . 17328 1 9 '3D HCCH-TOCSY' . . . 17328 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 13 175.876 0.2 . 1 . . . . 7 R C . 17328 1 2 . 1 1 30 30 ARG CA C 13 54.933 0.2 . 1 . . . . 7 R CA . 17328 1 3 . 1 1 30 30 ARG CB C 13 31.214 0.2 . 1 . . . . 7 R CB . 17328 1 4 . 1 1 31 31 LEU H H 1 7.930 0.01 . 1 . . . . 8 L HN . 17328 1 5 . 1 1 31 31 LEU HD11 H 1 0.633 0.01 . 4 . . . . 8 L HD11 . 17328 1 6 . 1 1 31 31 LEU HD12 H 1 0.633 0.01 . 4 . . . . 8 L HD11 . 17328 1 7 . 1 1 31 31 LEU HD13 H 1 0.633 0.01 . 4 . . . . 8 L HD11 . 17328 1 8 . 1 1 31 31 LEU HD21 H 1 0.432 0.01 . 4 . . . . 8 L HD21 . 17328 1 9 . 1 1 31 31 LEU HD22 H 1 0.432 0.01 . 4 . . . . 8 L HD21 . 17328 1 10 . 1 1 31 31 LEU HD23 H 1 0.432 0.01 . 4 . . . . 8 L HD21 . 17328 1 11 . 1 1 31 31 LEU C C 13 176.175 0.2 . 1 . . . . 8 L C . 17328 1 12 . 1 1 31 31 LEU CA C 13 55.073 0.2 . 1 . . . . 8 L CA . 17328 1 13 . 1 1 31 31 LEU CB C 13 41.760 0.2 . 1 . . . . 8 L CB . 17328 1 14 . 1 1 31 31 LEU CD1 C 13 24.032 0.2 . 2 . . . . 8 L CD1 . 17328 1 15 . 1 1 31 31 LEU CD2 C 13 21.577 0.2 . 2 . . . . 8 L CD2 . 17328 1 16 . 1 1 31 31 LEU N N 15 121.748 0.1 . 1 . . . . 8 L N . 17328 1 17 . 1 1 32 32 SER H H 1 7.679 0.01 . 1 . . . . 9 S HN . 17328 1 18 . 1 1 32 32 SER C C 13 174.571 0.2 . 1 . . . . 9 S C . 17328 1 19 . 1 1 32 32 SER CA C 13 57.017 0.2 . 1 . . . . 9 S CA . 17328 1 20 . 1 1 32 32 SER CB C 13 64.576 0.2 . 1 . . . . 9 S CB . 17328 1 21 . 1 1 32 32 SER N N 15 117.083 0.1 . 1 . . . . 9 S N . 17328 1 22 . 1 1 33 33 LYS C C 13 178.985 0.2 . 1 . . . . 10 K C . 17328 1 23 . 1 1 33 33 LYS CA C 13 59.060 0.2 . 1 . . . . 10 K CA . 17328 1 24 . 1 1 33 33 LYS CB C 13 31.514 0.2 . 1 . . . . 10 K CB . 17328 1 25 . 1 1 34 34 GLU H H 1 8.738 0.01 . 1 . . . . 11 E HN . 17328 1 26 . 1 1 34 34 GLU C C 13 178.984 0.2 . 1 . . . . 11 E C . 17328 1 27 . 1 1 34 34 GLU CA C 13 59.623 0.2 . 1 . . . . 11 E CA . 17328 1 28 . 1 1 34 34 GLU CB C 13 27.864 0.2 . 1 . . . . 11 E CB . 17328 1 29 . 1 1 34 34 GLU N N 15 120.144 0.1 . 1 . . . . 11 E N . 17328 1 30 . 1 1 35 35 LEU H H 1 7.621 0.01 . 1 . . . . 12 L HN . 17328 1 31 . 1 1 35 35 LEU HD11 H 1 0.808 0.01 . 4 . . . . 12 L HD11 . 17328 1 32 . 1 1 35 35 LEU HD12 H 1 0.808 0.01 . 4 . . . . 12 L HD11 . 17328 1 33 . 1 1 35 35 LEU HD13 H 1 0.808 0.01 . 4 . . . . 12 L HD11 . 17328 1 34 . 1 1 35 35 LEU HD21 H 1 0.820 0.01 . 4 . . . . 12 L HD21 . 17328 1 35 . 1 1 35 35 LEU HD22 H 1 0.820 0.01 . 4 . . . . 12 L HD21 . 17328 1 36 . 1 1 35 35 LEU HD23 H 1 0.820 0.01 . 4 . . . . 12 L HD21 . 17328 1 37 . 1 1 35 35 LEU C C 13 178.688 0.2 . 1 . . . . 12 L C . 17328 1 38 . 1 1 35 35 LEU CA C 13 56.971 0.2 . 1 . . . . 12 L CA . 17328 1 39 . 1 1 35 35 LEU CB C 13 41.031 0.2 . 1 . . . . 12 L CB . 17328 1 40 . 1 1 35 35 LEU CD1 C 13 22.995 0.2 . 2 . . . . 12 L CD1 . 17328 1 41 . 1 1 35 35 LEU CD2 C 13 21.881 0.2 . 2 . . . . 12 L CD2 . 17328 1 42 . 1 1 35 35 LEU N N 15 122.768 0.1 . 1 . . . . 12 L N . 17328 1 43 . 1 1 36 36 LEU H H 1 8.266 0.01 . 1 . . . . 13 L HN . 17328 1 44 . 1 1 36 36 LEU HD11 H 1 0.873 0.01 . 4 . . . . 13 L HD11 . 17328 1 45 . 1 1 36 36 LEU HD12 H 1 0.873 0.01 . 4 . . . . 13 L HD11 . 17328 1 46 . 1 1 36 36 LEU HD13 H 1 0.873 0.01 . 4 . . . . 13 L HD11 . 17328 1 47 . 1 1 36 36 LEU HD21 H 1 0.887 0.01 . 4 . . . . 13 L HD21 . 17328 1 48 . 1 1 36 36 LEU HD22 H 1 0.887 0.01 . 4 . . . . 13 L HD21 . 17328 1 49 . 1 1 36 36 LEU HD23 H 1 0.887 0.01 . 4 . . . . 13 L HD21 . 17328 1 50 . 1 1 36 36 LEU C C 13 178.815 0.2 . 1 . . . . 13 L C . 17328 1 51 . 1 1 36 36 LEU CA C 13 57.740 0.2 . 1 . . . . 13 L CA . 17328 1 52 . 1 1 36 36 LEU CB C 13 41.051 0.2 . 1 . . . . 13 L CB . 17328 1 53 . 1 1 36 36 LEU CD1 C 13 23.041 0.2 . 2 . . . . 13 L CD1 . 17328 1 54 . 1 1 36 36 LEU CD2 C 13 22.156 0.2 . 2 . . . . 13 L CD2 . 17328 1 55 . 1 1 36 36 LEU N N 15 118.540 0.1 . 1 . . . . 13 L N . 17328 1 56 . 1 1 37 37 ALA H H 1 7.670 0.01 . 1 . . . . 14 A HN . 17328 1 57 . 1 1 37 37 ALA C C 13 180.017 0.2 . 1 . . . . 14 A C . 17328 1 58 . 1 1 37 37 ALA CA C 13 54.571 0.2 . 1 . . . . 14 A CA . 17328 1 59 . 1 1 37 37 ALA CB C 13 17.303 0.2 . 1 . . . . 14 A CB . 17328 1 60 . 1 1 37 37 ALA N N 15 120.144 0.1 . 1 . . . . 14 A N . 17328 1 61 . 1 1 38 38 GLU H H 1 7.503 0.01 . 1 . . . . 15 E HN . 17328 1 62 . 1 1 38 38 GLU C C 13 179.327 0.2 . 1 . . . . 15 E C . 17328 1 63 . 1 1 38 38 GLU CA C 13 58.709 0.2 . 1 . . . . 15 E CA . 17328 1 64 . 1 1 38 38 GLU CB C 13 28.482 0.2 . 1 . . . . 15 E CB . 17328 1 65 . 1 1 38 38 GLU N N 15 119.269 0.1 . 1 . . . . 15 E N . 17328 1 66 . 1 1 39 39 TYR H H 1 8.173 0.01 . 1 . . . . 16 Y HN . 17328 1 67 . 1 1 39 39 TYR C C 13 178.972 0.2 . 1 . . . . 16 Y C . 17328 1 68 . 1 1 39 39 TYR CA C 13 60.001 0.2 . 1 . . . . 16 Y CA . 17328 1 69 . 1 1 39 39 TYR CB C 13 37.350 0.2 . 1 . . . . 16 Y CB . 17328 1 70 . 1 1 39 39 TYR N N 15 117.083 0.1 . 1 . . . . 16 Y N . 17328 1 71 . 1 1 40 40 GLN H H 1 8.335 0.01 . 1 . . . . 17 Q HN . 17328 1 72 . 1 1 40 40 GLN C C 13 176.973 0.2 . 1 . . . . 17 Q C . 17328 1 73 . 1 1 40 40 GLN CA C 13 58.874 0.2 . 1 . . . . 17 Q CA . 17328 1 74 . 1 1 40 40 GLN CB C 13 28.554 0.2 . 1 . . . . 17 Q CB . 17328 1 75 . 1 1 40 40 GLN N N 15 121.893 0.1 . 1 . . . . 17 Q N . 17328 1 76 . 1 1 41 41 ASP H H 1 7.483 0.01 . 1 . . . . 18 D HN . 17328 1 77 . 1 1 41 41 ASP C C 13 177.441 0.2 . 1 . . . . 18 D C . 17328 1 78 . 1 1 41 41 ASP CA C 13 55.587 0.2 . 1 . . . . 18 D CA . 17328 1 79 . 1 1 41 41 ASP CB C 13 40.555 0.2 . 1 . . . . 18 D CB . 17328 1 80 . 1 1 41 41 ASP N N 15 117.957 0.1 . 1 . . . . 18 D N . 17328 1 81 . 1 1 42 42 LEU H H 1 7.466 0.01 . 1 . . . . 19 L HN . 17328 1 82 . 1 1 42 42 LEU HD11 H 1 0.872 0.01 . 4 . . . . 19 L HD11 . 17328 1 83 . 1 1 42 42 LEU HD12 H 1 0.872 0.01 . 4 . . . . 19 L HD11 . 17328 1 84 . 1 1 42 42 LEU HD13 H 1 0.872 0.01 . 4 . . . . 19 L HD11 . 17328 1 85 . 1 1 42 42 LEU HD21 H 1 0.848 0.01 . 4 . . . . 19 L HD21 . 17328 1 86 . 1 1 42 42 LEU HD22 H 1 0.848 0.01 . 4 . . . . 19 L HD21 . 17328 1 87 . 1 1 42 42 LEU HD23 H 1 0.848 0.01 . 4 . . . . 19 L HD21 . 17328 1 88 . 1 1 42 42 LEU C C 13 177.091 0.2 . 1 . . . . 19 L C . 17328 1 89 . 1 1 42 42 LEU CA C 13 55.622 0.2 . 1 . . . . 19 L CA . 17328 1 90 . 1 1 42 42 LEU CB C 13 42.872 0.2 . 1 . . . . 19 L CB . 17328 1 91 . 1 1 42 42 LEU CD1 C 13 23.039 0.2 . 2 . . . . 19 L CD1 . 17328 1 92 . 1 1 42 42 LEU CD2 C 13 20.802 0.2 . 2 . . . . 19 L CD2 . 17328 1 93 . 1 1 42 42 LEU N N 15 117.812 0.1 . 1 . . . . 19 L N . 17328 1 94 . 1 1 43 43 THR H H 1 7.369 0.01 . 1 . . . . 20 T HN . 17328 1 95 . 1 1 43 43 THR C C 13 173.252 0.2 . 1 . . . . 20 T C . 17328 1 96 . 1 1 43 43 THR CA C 13 60.193 0.2 . 1 . . . . 20 T CA . 17328 1 97 . 1 1 43 43 THR CB C 13 71.818 0.2 . 1 . . . . 20 T CB . 17328 1 98 . 1 1 43 43 THR N N 15 109.502 0.1 . 1 . . . . 20 T N . 17328 1 99 . 1 1 44 44 PHE H H 1 7.972 0.01 . 1 . . . . 21 F HN . 17328 1 100 . 1 1 44 44 PHE C C 13 175.587 0.2 . 1 . . . . 21 F C . 17328 1 101 . 1 1 44 44 PHE CA C 13 57.405 0.2 . 1 . . . . 21 F CA . 17328 1 102 . 1 1 44 44 PHE CB C 13 37.394 0.2 . 1 . . . . 21 F CB . 17328 1 103 . 1 1 44 44 PHE N N 15 117.228 0.1 . 1 . . . . 21 F N . 17328 1 104 . 1 1 45 45 LEU H H 1 7.389 0.01 . 1 . . . . 22 L HN . 17328 1 105 . 1 1 45 45 LEU HD11 H 1 0.681 0.01 . 4 . . . . 22 L HD11 . 17328 1 106 . 1 1 45 45 LEU HD12 H 1 0.681 0.01 . 4 . . . . 22 L HD11 . 17328 1 107 . 1 1 45 45 LEU HD13 H 1 0.681 0.01 . 4 . . . . 22 L HD11 . 17328 1 108 . 1 1 45 45 LEU HD21 H 1 0.744 0.01 . 4 . . . . 22 L HD21 . 17328 1 109 . 1 1 45 45 LEU HD22 H 1 0.744 0.01 . 4 . . . . 22 L HD21 . 17328 1 110 . 1 1 45 45 LEU HD23 H 1 0.744 0.01 . 4 . . . . 22 L HD21 . 17328 1 111 . 1 1 45 45 LEU C C 13 177.107 0.2 . 1 . . . . 22 L C . 17328 1 112 . 1 1 45 45 LEU CA C 13 53.955 0.2 . 1 . . . . 22 L CA . 17328 1 113 . 1 1 45 45 LEU CB C 13 43.013 0.2 . 1 . . . . 22 L CB . 17328 1 114 . 1 1 45 45 LEU CD1 C 13 24.397 0.2 . 2 . . . . 22 L CD1 . 17328 1 115 . 1 1 45 45 LEU CD2 C 13 20.391 0.2 . 2 . . . . 22 L CD2 . 17328 1 116 . 1 1 45 45 LEU N N 15 119.998 0.1 . 1 . . . . 22 L N . 17328 1 117 . 1 1 46 46 THR H H 1 8.772 0.01 . 1 . . . . 23 T HN . 17328 1 118 . 1 1 46 46 THR C C 13 175.969 0.2 . 1 . . . . 23 T C . 17328 1 119 . 1 1 46 46 THR CA C 13 60.284 0.2 . 1 . . . . 23 T CA . 17328 1 120 . 1 1 46 46 THR CB C 13 71.265 0.2 . 1 . . . . 23 T CB . 17328 1 121 . 1 1 46 46 THR N N 15 110.960 0.1 . 1 . . . . 23 T N . 17328 1 122 . 1 1 47 47 LYS H H 1 8.583 0.01 . 1 . . . . 24 K HN . 17328 1 123 . 1 1 47 47 LYS C C 13 178.173 0.2 . 1 . . . . 24 K C . 17328 1 124 . 1 1 47 47 LYS CA C 13 60.429 0.2 . 1 . . . . 24 K CA . 17328 1 125 . 1 1 47 47 LYS CB C 13 31.325 0.2 . 1 . . . . 24 K CB . 17328 1 126 . 1 1 47 47 LYS N N 15 120.290 0.1 . 1 . . . . 24 K N . 17328 1 127 . 1 1 48 48 GLN H H 1 8.344 0.01 . 1 . . . . 25 Q HN . 17328 1 128 . 1 1 48 48 GLN C C 13 178.970 0.2 . 1 . . . . 25 Q C . 17328 1 129 . 1 1 48 48 GLN CA C 13 58.914 0.2 . 1 . . . . 25 Q CA . 17328 1 130 . 1 1 48 48 GLN CB C 13 27.185 0.2 . 1 . . . . 25 Q CB . 17328 1 131 . 1 1 48 48 GLN N N 15 116.208 0.1 . 1 . . . . 25 Q N . 17328 1 132 . 1 1 49 49 GLU H H 1 7.658 0.01 . 1 . . . . 26 E HN . 17328 1 133 . 1 1 49 49 GLU C C 13 179.561 0.2 . 1 . . . . 26 E C . 17328 1 134 . 1 1 49 49 GLU CA C 13 59.010 0.2 . 1 . . . . 26 E CA . 17328 1 135 . 1 1 49 49 GLU CB C 13 30.237 0.2 . 1 . . . . 26 E CB . 17328 1 136 . 1 1 49 49 GLU N N 15 119.998 0.1 . 1 . . . . 26 E N . 17328 1 137 . 1 1 50 50 ILE H H 1 8.281 0.01 . 1 . . . . 27 I HN . 17328 1 138 . 1 1 50 50 ILE HD11 H 1 0.663 0.01 . 1 . . . . 27 I HD11 . 17328 1 139 . 1 1 50 50 ILE HD12 H 1 0.663 0.01 . 1 . . . . 27 I HD11 . 17328 1 140 . 1 1 50 50 ILE HD13 H 1 0.663 0.01 . 1 . . . . 27 I HD11 . 17328 1 141 . 1 1 50 50 ILE C C 13 177.689 0.2 . 1 . . . . 27 I C . 17328 1 142 . 1 1 50 50 ILE CA C 13 65.293 0.2 . 1 . . . . 27 I CA . 17328 1 143 . 1 1 50 50 ILE CB C 13 37.171 0.2 . 1 . . . . 27 I CB . 17328 1 144 . 1 1 50 50 ILE CD1 C 13 11.858 0.2 . 1 . . . . 27 I CD1 . 17328 1 145 . 1 1 50 50 ILE N N 15 122.768 0.1 . 1 . . . . 27 I N . 17328 1 146 . 1 1 51 51 LEU H H 1 8.098 0.01 . 1 . . . . 28 L HN . 17328 1 147 . 1 1 51 51 LEU HD11 H 1 0.955 0.01 . 4 . . . . 28 L HD11 . 17328 1 148 . 1 1 51 51 LEU HD12 H 1 0.955 0.01 . 4 . . . . 28 L HD11 . 17328 1 149 . 1 1 51 51 LEU HD13 H 1 0.955 0.01 . 4 . . . . 28 L HD11 . 17328 1 150 . 1 1 51 51 LEU HD21 H 1 1.023 0.01 . 4 . . . . 28 L HD21 . 17328 1 151 . 1 1 51 51 LEU HD22 H 1 1.023 0.01 . 4 . . . . 28 L HD21 . 17328 1 152 . 1 1 51 51 LEU HD23 H 1 1.023 0.01 . 4 . . . . 28 L HD21 . 17328 1 153 . 1 1 51 51 LEU C C 13 180.596 0.2 . 1 . . . . 28 L C . 17328 1 154 . 1 1 51 51 LEU CA C 13 58.063 0.2 . 1 . . . . 28 L CA . 17328 1 155 . 1 1 51 51 LEU CB C 13 40.852 0.2 . 1 . . . . 28 L CB . 17328 1 156 . 1 1 51 51 LEU CD1 C 13 23.424 0.2 . 2 . . . . 28 L CD1 . 17328 1 157 . 1 1 51 51 LEU CD2 C 13 22.072 0.2 . 2 . . . . 28 L CD2 . 17328 1 158 . 1 1 51 51 LEU N N 15 120.436 0.1 . 1 . . . . 28 L N . 17328 1 159 . 1 1 52 52 LEU H H 1 8.011 0.01 . 1 . . . . 29 L HN . 17328 1 160 . 1 1 52 52 LEU HD11 H 1 0.970 0.01 . 4 . . . . 29 L HD11 . 17328 1 161 . 1 1 52 52 LEU HD12 H 1 0.970 0.01 . 4 . . . . 29 L HD11 . 17328 1 162 . 1 1 52 52 LEU HD13 H 1 0.970 0.01 . 4 . . . . 29 L HD11 . 17328 1 163 . 1 1 52 52 LEU HD21 H 1 0.944 0.01 . 4 . . . . 29 L HD21 . 17328 1 164 . 1 1 52 52 LEU HD22 H 1 0.944 0.01 . 4 . . . . 29 L HD21 . 17328 1 165 . 1 1 52 52 LEU HD23 H 1 0.944 0.01 . 4 . . . . 29 L HD21 . 17328 1 166 . 1 1 52 52 LEU C C 13 178.871 0.2 . 1 . . . . 29 L C . 17328 1 167 . 1 1 52 52 LEU CA C 13 57.665 0.2 . 1 . . . . 29 L CA . 17328 1 168 . 1 1 52 52 LEU CB C 13 40.670 0.2 . 1 . . . . 29 L CB . 17328 1 169 . 1 1 52 52 LEU CD1 C 13 21.569 0.2 . 2 . . . . 29 L CD1 . 17328 1 170 . 1 1 52 52 LEU CD2 C 13 22.566 0.2 . 2 . . . . 29 L CD2 . 17328 1 171 . 1 1 52 52 LEU N N 15 121.893 0.1 . 1 . . . . 29 L N . 17328 1 172 . 1 1 53 53 ALA H H 1 8.394 0.01 . 1 . . . . 30 A HN . 17328 1 173 . 1 1 53 53 ALA C C 13 179.752 0.2 . 1 . . . . 30 A C . 17328 1 174 . 1 1 53 53 ALA CA C 13 55.150 0.2 . 1 . . . . 30 A CA . 17328 1 175 . 1 1 53 53 ALA CB C 13 18.008 0.2 . 1 . . . . 30 A CB . 17328 1 176 . 1 1 53 53 ALA N N 15 122.331 0.1 . 1 . . . . 30 A N . 17328 1 177 . 1 1 54 54 HIS H H 1 8.767 0.01 . 1 . . . . 31 H HN . 17328 1 178 . 1 1 54 54 HIS C C 13 177.491 0.2 . 1 . . . . 31 H C . 17328 1 179 . 1 1 54 54 HIS CA C 13 61.735 0.2 . 1 . . . . 31 H CA . 17328 1 180 . 1 1 54 54 HIS CB C 13 30.702 0.2 . 1 . . . . 31 H CB . 17328 1 181 . 1 1 54 54 HIS N N 15 118.395 0.1 . 1 . . . . 31 H N . 17328 1 182 . 1 1 55 55 ARG H H 1 7.979 0.01 . 1 . . . . 32 R HN . 17328 1 183 . 1 1 55 55 ARG C C 13 179.380 0.2 . 1 . . . . 32 R C . 17328 1 184 . 1 1 55 55 ARG CA C 13 59.618 0.2 . 1 . . . . 32 R CA . 17328 1 185 . 1 1 55 55 ARG CB C 13 28.982 0.2 . 1 . . . . 32 R CB . 17328 1 186 . 1 1 55 55 ARG N N 15 121.165 0.1 . 1 . . . . 32 R N . 17328 1 187 . 1 1 56 56 ARG H H 1 8.321 0.01 . 1 . . . . 33 R HN . 17328 1 188 . 1 1 56 56 ARG C C 13 178.628 0.2 . 1 . . . . 33 R C . 17328 1 189 . 1 1 56 56 ARG CA C 13 57.874 0.2 . 1 . . . . 33 R CA . 17328 1 190 . 1 1 56 56 ARG CB C 13 28.937 0.2 . 1 . . . . 33 R CB . 17328 1 191 . 1 1 56 56 ARG N N 15 117.957 0.1 . 1 . . . . 33 R N . 17328 1 192 . 1 1 57 57 PHE H H 1 8.679 0.01 . 1 . . . . 34 F HN . 17328 1 193 . 1 1 57 57 PHE C C 13 177.411 0.2 . 1 . . . . 34 F C . 17328 1 194 . 1 1 57 57 PHE CA C 13 61.367 0.2 . 1 . . . . 34 F CA . 17328 1 195 . 1 1 57 57 PHE CB C 13 39.629 0.2 . 1 . . . . 34 F CB . 17328 1 196 . 1 1 57 57 PHE N N 15 120.727 0.1 . 1 . . . . 34 F N . 17328 1 197 . 1 1 58 58 CYS H H 1 8.168 0.01 . 1 . . . . 35 C HN . 17328 1 198 . 1 1 58 58 CYS C C 13 176.967 0.2 . 1 . . . . 35 C C . 17328 1 199 . 1 1 58 58 CYS CA C 13 63.739 0.2 . 1 . . . . 35 C CA . 17328 1 200 . 1 1 58 58 CYS CB C 13 26.630 0.2 . 1 . . . . 35 C CB . 17328 1 201 . 1 1 58 58 CYS N N 15 114.167 0.1 . 1 . . . . 35 C N . 17328 1 202 . 1 1 59 59 GLU H H 1 7.248 0.01 . 1 . . . . 36 E HN . 17328 1 203 . 1 1 59 59 GLU C C 13 177.297 0.2 . 1 . . . . 36 E C . 17328 1 204 . 1 1 59 59 GLU CA C 13 57.799 0.2 . 1 . . . . 36 E CA . 17328 1 205 . 1 1 59 59 GLU CB C 13 28.649 0.2 . 1 . . . . 36 E CB . 17328 1 206 . 1 1 59 59 GLU N N 15 116.791 0.1 . 1 . . . . 36 E N . 17328 1 207 . 1 1 60 60 LEU H H 1 7.193 0.01 . 1 . . . . 37 L HN . 17328 1 208 . 1 1 60 60 LEU HD11 H 1 0.562 0.01 . 4 . . . . 37 L HD11 . 17328 1 209 . 1 1 60 60 LEU HD12 H 1 0.562 0.01 . 4 . . . . 37 L HD11 . 17328 1 210 . 1 1 60 60 LEU HD13 H 1 0.562 0.01 . 4 . . . . 37 L HD11 . 17328 1 211 . 1 1 60 60 LEU HD21 H 1 0.689 0.01 . 4 . . . . 37 L HD21 . 17328 1 212 . 1 1 60 60 LEU HD22 H 1 0.689 0.01 . 4 . . . . 37 L HD21 . 17328 1 213 . 1 1 60 60 LEU HD23 H 1 0.689 0.01 . 4 . . . . 37 L HD21 . 17328 1 214 . 1 1 60 60 LEU C C 13 176.805 0.2 . 1 . . . . 37 L C . 17328 1 215 . 1 1 60 60 LEU CA C 13 54.065 0.2 . 1 . . . . 37 L CA . 17328 1 216 . 1 1 60 60 LEU CB C 13 40.784 0.2 . 1 . . . . 37 L CB . 17328 1 217 . 1 1 60 60 LEU CD1 C 13 24.247 0.2 . 2 . . . . 37 L CD1 . 17328 1 218 . 1 1 60 60 LEU CD2 C 13 19.930 0.2 . 2 . . . . 37 L CD2 . 17328 1 219 . 1 1 60 60 LEU N N 15 116.500 0.1 . 1 . . . . 37 L N . 17328 1 220 . 1 1 61 61 LEU H H 1 7.075 0.01 . 1 . . . . 38 L HN . 17328 1 221 . 1 1 61 61 LEU HD11 H 1 0.741 0.01 . 4 . . . . 38 L HD11 . 17328 1 222 . 1 1 61 61 LEU HD12 H 1 0.741 0.01 . 4 . . . . 38 L HD11 . 17328 1 223 . 1 1 61 61 LEU HD13 H 1 0.741 0.01 . 4 . . . . 38 L HD11 . 17328 1 224 . 1 1 61 61 LEU HD21 H 1 0.473 0.01 . 4 . . . . 38 L HD21 . 17328 1 225 . 1 1 61 61 LEU HD22 H 1 0.473 0.01 . 4 . . . . 38 L HD21 . 17328 1 226 . 1 1 61 61 LEU HD23 H 1 0.473 0.01 . 4 . . . . 38 L HD21 . 17328 1 227 . 1 1 61 61 LEU C C 13 174.821 0.2 . 1 . . . . 38 L C . 17328 1 228 . 1 1 61 61 LEU CA C 13 51.705 0.2 . 1 . . . . 38 L CA . 17328 1 229 . 1 1 61 61 LEU CB C 13 40.663 0.2 . 1 . . . . 38 L CB . 17328 1 230 . 1 1 61 61 LEU CD1 C 13 24.247 0.2 . 2 . . . . 38 L CD1 . 17328 1 231 . 1 1 61 61 LEU CD2 C 13 21.474 0.2 . 2 . . . . 38 L CD2 . 17328 1 232 . 1 1 61 61 LEU N N 15 119.561 0.1 . 1 . . . . 38 L N . 17328 1 233 . 1 1 63 63 GLN C C 13 177.745 0.2 . 1 . . . . 40 Q C . 17328 1 234 . 1 1 63 63 GLN CA C 13 59.248 0.2 . 1 . . . . 40 Q CA . 17328 1 235 . 1 1 63 63 GLN CB C 13 27.859 0.2 . 1 . . . . 40 Q CB . 17328 1 236 . 1 1 64 64 GLU H H 1 9.293 0.01 . 1 . . . . 41 E HN . 17328 1 237 . 1 1 64 64 GLU C C 13 177.275 0.2 . 1 . . . . 41 E C . 17328 1 238 . 1 1 64 64 GLU CA C 13 58.119 0.2 . 1 . . . . 41 E CA . 17328 1 239 . 1 1 64 64 GLU CB C 13 27.887 0.2 . 1 . . . . 41 E CB . 17328 1 240 . 1 1 64 64 GLU N N 15 116.937 0.1 . 1 . . . . 41 E N . 17328 1 241 . 1 1 65 65 GLN H H 1 8.013 0.01 . 1 . . . . 42 Q HN . 17328 1 242 . 1 1 65 65 GLN C C 13 174.137 0.2 . 1 . . . . 42 Q C . 17328 1 243 . 1 1 65 65 GLN CA C 13 54.781 0.2 . 1 . . . . 42 Q CA . 17328 1 244 . 1 1 65 65 GLN CB C 13 29.283 0.2 . 1 . . . . 42 Q CB . 17328 1 245 . 1 1 65 65 GLN N N 15 119.124 0.1 . 1 . . . . 42 Q N . 17328 1 246 . 1 1 66 66 ARG H H 1 7.042 0.01 . 1 . . . . 43 R HN . 17328 1 247 . 1 1 66 66 ARG C C 13 176.248 0.2 . 1 . . . . 43 R C . 17328 1 248 . 1 1 66 66 ARG CA C 13 57.030 0.2 . 1 . . . . 43 R CA . 17328 1 249 . 1 1 66 66 ARG CB C 13 29.183 0.2 . 1 . . . . 43 R CB . 17328 1 250 . 1 1 66 66 ARG N N 15 115.042 0.1 . 1 . . . . 43 R N . 17328 1 251 . 1 1 67 67 SER H H 1 7.638 0.01 . 1 . . . . 44 S HN . 17328 1 252 . 1 1 67 67 SER C C 13 175.474 0.2 . 1 . . . . 44 S C . 17328 1 253 . 1 1 67 67 SER CA C 13 57.416 0.2 . 1 . . . . 44 S CA . 17328 1 254 . 1 1 67 67 SER CB C 13 63.818 0.2 . 1 . . . . 44 S CB . 17328 1 255 . 1 1 67 67 SER N N 15 114.604 0.1 . 1 . . . . 44 S N . 17328 1 256 . 1 1 68 68 VAL HG11 H 1 0.831 0.01 . 4 . . . . 45 V HG11 . 17328 1 257 . 1 1 68 68 VAL HG12 H 1 0.831 0.01 . 4 . . . . 45 V HG11 . 17328 1 258 . 1 1 68 68 VAL HG13 H 1 0.831 0.01 . 4 . . . . 45 V HG11 . 17328 1 259 . 1 1 68 68 VAL HG21 H 1 0.912 0.01 . 4 . . . . 45 V HG21 . 17328 1 260 . 1 1 68 68 VAL HG22 H 1 0.912 0.01 . 4 . . . . 45 V HG21 . 17328 1 261 . 1 1 68 68 VAL HG23 H 1 0.912 0.01 . 4 . . . . 45 V HG21 . 17328 1 262 . 1 1 68 68 VAL C C 13 178.304 0.2 . 1 . . . . 45 V C . 17328 1 263 . 1 1 68 68 VAL CA C 13 67.447 0.2 . 1 . . . . 45 V CA . 17328 1 264 . 1 1 68 68 VAL CB C 13 30.516 0.2 . 1 . . . . 45 V CB . 17328 1 265 . 1 1 68 68 VAL CG1 C 13 19.265 0.2 . 2 . . . . 45 V CG1 . 17328 1 266 . 1 1 68 68 VAL CG2 C 13 20.608 0.2 . 2 . . . . 45 V CG2 . 17328 1 267 . 1 1 69 69 GLU H H 1 8.868 0.01 . 1 . . . . 46 E HN . 17328 1 268 . 1 1 69 69 GLU C C 13 179.218 0.2 . 1 . . . . 46 E C . 17328 1 269 . 1 1 69 69 GLU CA C 13 59.775 0.2 . 1 . . . . 46 E CA . 17328 1 270 . 1 1 69 69 GLU CB C 13 28.322 0.2 . 1 . . . . 46 E CB . 17328 1 271 . 1 1 69 69 GLU N N 15 118.249 0.1 . 1 . . . . 46 E N . 17328 1 272 . 1 1 70 70 SER H H 1 7.597 0.01 . 1 . . . . 47 S HN . 17328 1 273 . 1 1 70 70 SER C C 13 178.267 0.2 . 1 . . . . 47 S C . 17328 1 274 . 1 1 70 70 SER CA C 13 61.325 0.2 . 1 . . . . 47 S CA . 17328 1 275 . 1 1 70 70 SER CB C 13 62.471 0.2 . 1 . . . . 47 S CB . 17328 1 276 . 1 1 70 70 SER N N 15 114.167 0.1 . 1 . . . . 47 S N . 17328 1 277 . 1 1 71 71 SER H H 1 8.805 0.01 . 1 . . . . 48 S HN . 17328 1 278 . 1 1 71 71 SER C C 13 176.098 0.2 . 1 . . . . 48 S C . 17328 1 279 . 1 1 71 71 SER CA C 13 61.590 0.2 . 1 . . . . 48 S CA . 17328 1 280 . 1 1 71 71 SER CB C 13 63.352 0.2 . 1 . . . . 48 S CB . 17328 1 281 . 1 1 71 71 SER N N 15 121.310 0.1 . 1 . . . . 48 S N . 17328 1 282 . 1 1 72 72 LEU H H 1 7.226 0.01 . 1 . . . . 49 L HN . 17328 1 283 . 1 1 72 72 LEU HD11 H 1 0.877 0.01 . 4 . . . . 49 L HD11 . 17328 1 284 . 1 1 72 72 LEU HD12 H 1 0.877 0.01 . 4 . . . . 49 L HD11 . 17328 1 285 . 1 1 72 72 LEU HD13 H 1 0.877 0.01 . 4 . . . . 49 L HD11 . 17328 1 286 . 1 1 72 72 LEU HD21 H 1 0.778 0.01 . 4 . . . . 49 L HD21 . 17328 1 287 . 1 1 72 72 LEU HD22 H 1 0.778 0.01 . 4 . . . . 49 L HD21 . 17328 1 288 . 1 1 72 72 LEU HD23 H 1 0.778 0.01 . 4 . . . . 49 L HD21 . 17328 1 289 . 1 1 72 72 LEU C C 13 177.460 0.2 . 1 . . . . 49 L C . 17328 1 290 . 1 1 72 72 LEU CA C 13 56.144 0.2 . 1 . . . . 49 L CA . 17328 1 291 . 1 1 72 72 LEU CB C 13 40.207 0.2 . 1 . . . . 49 L CB . 17328 1 292 . 1 1 72 72 LEU CD1 C 13 23.442 0.2 . 2 . . . . 49 L CD1 . 17328 1 293 . 1 1 72 72 LEU CD2 C 13 20.452 0.2 . 2 . . . . 49 L CD2 . 17328 1 294 . 1 1 72 72 LEU N N 15 120.727 0.1 . 1 . . . . 49 L N . 17328 1 295 . 1 1 73 73 ARG H H 1 7.395 0.01 . 1 . . . . 50 R HN . 17328 1 296 . 1 1 73 73 ARG C C 13 175.975 0.2 . 1 . . . . 50 R C . 17328 1 297 . 1 1 73 73 ARG CA C 13 54.735 0.2 . 1 . . . . 50 R CA . 17328 1 298 . 1 1 73 73 ARG CB C 13 30.708 0.2 . 1 . . . . 50 R CB . 17328 1 299 . 1 1 73 73 ARG N N 15 116.354 0.1 . 1 . . . . 50 R N . 17328 1 300 . 1 1 74 74 ALA H H 1 7.245 0.01 . 1 . . . . 51 A HN . 17328 1 301 . 1 1 74 74 ALA C C 13 176.786 0.2 . 1 . . . . 51 A C . 17328 1 302 . 1 1 74 74 ALA CA C 13 52.323 0.2 . 1 . . . . 51 A CA . 17328 1 303 . 1 1 74 74 ALA CB C 13 20.996 0.2 . 1 . . . . 51 A CB . 17328 1 304 . 1 1 74 74 ALA N N 15 123.789 0.1 . 1 . . . . 51 A N . 17328 1 305 . 1 1 75 75 GLN H H 1 8.308 0.01 . 1 . . . . 52 Q HN . 17328 1 306 . 1 1 75 75 GLN C C 13 175.478 0.2 . 1 . . . . 52 Q C . 17328 1 307 . 1 1 75 75 GLN CA C 13 53.702 0.2 . 1 . . . . 52 Q CA . 17328 1 308 . 1 1 75 75 GLN CB C 13 30.154 0.2 . 1 . . . . 52 Q CB . 17328 1 309 . 1 1 75 75 GLN N N 15 118.395 0.1 . 1 . . . . 52 Q N . 17328 1 310 . 1 1 76 76 VAL H H 1 9.067 0.01 . 1 . . . . 53 V HN . 17328 1 311 . 1 1 76 76 VAL HG11 H 1 0.908 0.01 . 4 . . . . 53 V HG11 . 17328 1 312 . 1 1 76 76 VAL HG12 H 1 0.908 0.01 . 4 . . . . 53 V HG11 . 17328 1 313 . 1 1 76 76 VAL HG13 H 1 0.908 0.01 . 4 . . . . 53 V HG11 . 17328 1 314 . 1 1 76 76 VAL HG21 H 1 0.435 0.01 . 4 . . . . 53 V HG21 . 17328 1 315 . 1 1 76 76 VAL HG22 H 1 0.435 0.01 . 4 . . . . 53 V HG21 . 17328 1 316 . 1 1 76 76 VAL HG23 H 1 0.435 0.01 . 4 . . . . 53 V HG21 . 17328 1 317 . 1 1 76 76 VAL C C 13 173.733 0.2 . 1 . . . . 53 V C . 17328 1 318 . 1 1 76 76 VAL CA C 13 58.809 0.2 . 1 . . . . 53 V CA . 17328 1 319 . 1 1 76 76 VAL CB C 13 32.955 0.2 . 1 . . . . 53 V CB . 17328 1 320 . 1 1 76 76 VAL CG1 C 13 19.780 0.2 . 2 . . . . 53 V CG1 . 17328 1 321 . 1 1 76 76 VAL CG2 C 13 21.062 0.2 . 2 . . . . 53 V CG2 . 17328 1 322 . 1 1 76 76 VAL N N 15 125.101 0.1 . 1 . . . . 53 V N . 17328 1 323 . 1 1 77 77 PRO C C 13 178.148 0.2 . 1 . . . . 54 P C . 17328 1 324 . 1 1 77 77 PRO CA C 13 62.196 0.2 . 1 . . . . 54 P CA . 17328 1 325 . 1 1 77 77 PRO CB C 13 32.404 0.2 . 1 . . . . 54 P CB . 17328 1 326 . 1 1 78 78 PHE H H 1 7.900 0.01 . 1 . . . . 55 F HN . 17328 1 327 . 1 1 78 78 PHE C C 13 177.191 0.2 . 1 . . . . 55 F C . 17328 1 328 . 1 1 78 78 PHE CA C 13 57.923 0.2 . 1 . . . . 55 F CA . 17328 1 329 . 1 1 78 78 PHE CB C 13 36.353 0.2 . 1 . . . . 55 F CB . 17328 1 330 . 1 1 78 78 PHE N N 15 120.873 0.1 . 1 . . . . 55 F N . 17328 1 331 . 1 1 79 79 GLU H H 1 9.228 0.01 . 1 . . . . 56 E HN . 17328 1 332 . 1 1 79 79 GLU C C 13 178.390 0.2 . 1 . . . . 56 E C . 17328 1 333 . 1 1 79 79 GLU CA C 13 59.997 0.2 . 1 . . . . 56 E CA . 17328 1 334 . 1 1 79 79 GLU CB C 13 28.345 0.2 . 1 . . . . 56 E CB . 17328 1 335 . 1 1 79 79 GLU N N 15 117.520 0.1 . 1 . . . . 56 E N . 17328 1 336 . 1 1 80 80 GLN H H 1 7.291 0.01 . 1 . . . . 57 Q HN . 17328 1 337 . 1 1 80 80 GLN C C 13 178.179 0.2 . 1 . . . . 57 Q C . 17328 1 338 . 1 1 80 80 GLN CA C 13 57.314 0.2 . 1 . . . . 57 Q CA . 17328 1 339 . 1 1 80 80 GLN CB C 13 29.271 0.2 . 1 . . . . 57 Q CB . 17328 1 340 . 1 1 80 80 GLN N N 15 114.750 0.1 . 1 . . . . 57 Q N . 17328 1 341 . 1 1 81 81 ILE H H 1 7.363 0.01 . 1 . . . . 58 I HN . 17328 1 342 . 1 1 81 81 ILE HD11 H 1 0.666 0.01 . 1 . . . . 58 I HD11 . 17328 1 343 . 1 1 81 81 ILE HD12 H 1 0.666 0.01 . 1 . . . . 58 I HD11 . 17328 1 344 . 1 1 81 81 ILE HD13 H 1 0.666 0.01 . 1 . . . . 58 I HD11 . 17328 1 345 . 1 1 81 81 ILE C C 13 177.179 0.2 . 1 . . . . 58 I C . 17328 1 346 . 1 1 81 81 ILE CA C 13 61.146 0.2 . 1 . . . . 58 I CA . 17328 1 347 . 1 1 81 81 ILE CB C 13 35.406 0.2 . 1 . . . . 58 I CB . 17328 1 348 . 1 1 81 81 ILE CD1 C 13 7.664 0.2 . 1 . . . . 58 I CD1 . 17328 1 349 . 1 1 81 81 ILE N N 15 121.456 0.1 . 1 . . . . 58 I N . 17328 1 350 . 1 1 82 82 LEU H H 1 8.196 0.01 . 1 . . . . 59 L HN . 17328 1 351 . 1 1 82 82 LEU HD21 H 1 0.680 0.01 . 4 . . . . 59 L HD21 . 17328 1 352 . 1 1 82 82 LEU HD22 H 1 0.680 0.01 . 4 . . . . 59 L HD21 . 17328 1 353 . 1 1 82 82 LEU HD23 H 1 0.680 0.01 . 4 . . . . 59 L HD21 . 17328 1 354 . 1 1 82 82 LEU C C 13 176.427 0.2 . 1 . . . . 59 L C . 17328 1 355 . 1 1 82 82 LEU CA C 13 56.143 0.2 . 1 . . . . 59 L CA . 17328 1 356 . 1 1 82 82 LEU CB C 13 40.622 0.2 . 1 . . . . 59 L CB . 17328 1 357 . 1 1 82 82 LEU CD2 C 13 22.318 0.2 . 2 . . . . 59 L CD2 . 17328 1 358 . 1 1 82 82 LEU N N 15 116.208 0.1 . 1 . . . . 59 L N . 17328 1 359 . 1 1 83 83 SER H H 1 7.056 0.01 . 1 . . . . 60 S HN . 17328 1 360 . 1 1 83 83 SER C C 13 174.795 0.2 . 1 . . . . 60 S C . 17328 1 361 . 1 1 83 83 SER CA C 13 58.222 0.2 . 1 . . . . 60 S CA . 17328 1 362 . 1 1 83 83 SER CB C 13 63.929 0.2 . 1 . . . . 60 S CB . 17328 1 363 . 1 1 83 83 SER N N 15 110.668 0.1 . 1 . . . . 60 S N . 17328 1 364 . 1 1 84 84 LEU H H 1 7.647 0.01 . 1 . . . . 61 L HN . 17328 1 365 . 1 1 84 84 LEU HD11 H 1 1.019 0.01 . 4 . . . . 61 L HD11 . 17328 1 366 . 1 1 84 84 LEU HD12 H 1 1.019 0.01 . 4 . . . . 61 L HD11 . 17328 1 367 . 1 1 84 84 LEU HD13 H 1 1.019 0.01 . 4 . . . . 61 L HD11 . 17328 1 368 . 1 1 84 84 LEU HD21 H 1 1.014 0.01 . 4 . . . . 61 L HD21 . 17328 1 369 . 1 1 84 84 LEU HD22 H 1 1.014 0.01 . 4 . . . . 61 L HD21 . 17328 1 370 . 1 1 84 84 LEU HD23 H 1 1.014 0.01 . 4 . . . . 61 L HD21 . 17328 1 371 . 1 1 84 84 LEU C C 13 176.643 0.2 . 1 . . . . 61 L C . 17328 1 372 . 1 1 84 84 LEU CA C 13 53.517 0.2 . 1 . . . . 61 L CA . 17328 1 373 . 1 1 84 84 LEU CB C 13 39.657 0.2 . 1 . . . . 61 L CB . 17328 1 374 . 1 1 84 84 LEU CD1 C 13 24.192 0.2 . 2 . . . . 61 L CD1 . 17328 1 375 . 1 1 84 84 LEU CD2 C 13 21.242 0.2 . 2 . . . . 61 L CD2 . 17328 1 376 . 1 1 84 84 LEU N N 15 125.246 0.1 . 1 . . . . 61 L N . 17328 1 377 . 1 1 85 85 PRO C C 13 178.467 0.2 . 1 . . . . 62 P C . 17328 1 378 . 1 1 85 85 PRO CA C 13 65.297 0.2 . 1 . . . . 62 P CA . 17328 1 379 . 1 1 85 85 PRO CB C 13 31.061 0.2 . 1 . . . . 62 P CB . 17328 1 380 . 1 1 86 86 GLU H H 1 10.049 0.01 . 1 . . . . 63 E HN . 17328 1 381 . 1 1 86 86 GLU C C 13 176.406 0.2 . 1 . . . . 63 E C . 17328 1 382 . 1 1 86 86 GLU CA C 13 59.466 0.2 . 1 . . . . 63 E CA . 17328 1 383 . 1 1 86 86 GLU CB C 13 27.819 0.2 . 1 . . . . 63 E CB . 17328 1 384 . 1 1 86 86 GLU N N 15 116.791 0.1 . 1 . . . . 63 E N . 17328 1 385 . 1 1 87 87 LEU H H 1 7.324 0.01 . 1 . . . . 64 L HN . 17328 1 386 . 1 1 87 87 LEU HD11 H 1 0.847 0.01 . 4 . . . . 64 L HD11 . 17328 1 387 . 1 1 87 87 LEU HD12 H 1 0.847 0.01 . 4 . . . . 64 L HD11 . 17328 1 388 . 1 1 87 87 LEU HD13 H 1 0.847 0.01 . 4 . . . . 64 L HD11 . 17328 1 389 . 1 1 87 87 LEU HD21 H 1 0.780 0.01 . 4 . . . . 64 L HD21 . 17328 1 390 . 1 1 87 87 LEU HD22 H 1 0.780 0.01 . 4 . . . . 64 L HD21 . 17328 1 391 . 1 1 87 87 LEU HD23 H 1 0.780 0.01 . 4 . . . . 64 L HD21 . 17328 1 392 . 1 1 87 87 LEU C C 13 178.149 0.2 . 1 . . . . 64 L C . 17328 1 393 . 1 1 87 87 LEU CA C 13 54.574 0.2 . 1 . . . . 64 L CA . 17328 1 394 . 1 1 87 87 LEU CB C 13 43.707 0.2 . 1 . . . . 64 L CB . 17328 1 395 . 1 1 87 87 LEU CD1 C 13 23.154 0.2 . 2 . . . . 64 L CD1 . 17328 1 396 . 1 1 87 87 LEU CD2 C 13 22.550 0.2 . 2 . . . . 64 L CD2 . 17328 1 397 . 1 1 87 87 LEU N N 15 116.354 0.1 . 1 . . . . 64 L N . 17328 1 398 . 1 1 88 88 LYS H H 1 7.820 0.01 . 1 . . . . 65 K HN . 17328 1 399 . 1 1 88 88 LYS C C 13 176.865 0.2 . 1 . . . . 65 K C . 17328 1 400 . 1 1 88 88 LYS CA C 13 59.694 0.2 . 1 . . . . 65 K CA . 17328 1 401 . 1 1 88 88 LYS CB C 13 31.500 0.2 . 1 . . . . 65 K CB . 17328 1 402 . 1 1 88 88 LYS N N 15 119.124 0.1 . 1 . . . . 65 K N . 17328 1 403 . 1 1 89 89 ALA C C 13 176.884 0.2 . 1 . . . . 66 A C . 17328 1 404 . 1 1 89 89 ALA CA C 13 51.019 0.2 . 1 . . . . 66 A CA . 17328 1 405 . 1 1 89 89 ALA CB C 13 18.324 0.2 . 1 . . . . 66 A CB . 17328 1 406 . 1 1 90 90 ASN H H 1 7.867 0.01 . 1 . . . . 67 N HN . 17328 1 407 . 1 1 90 90 ASN C C 13 175.758 0.2 . 1 . . . . 67 N C . 17328 1 408 . 1 1 90 90 ASN CA C 13 51.311 0.2 . 1 . . . . 67 N CA . 17328 1 409 . 1 1 90 90 ASN CB C 13 39.673 0.2 . 1 . . . . 67 N CB . 17328 1 410 . 1 1 90 90 ASN N N 15 122.768 0.1 . 1 . . . . 67 N N . 17328 1 411 . 1 1 91 91 PRO C C 13 177.187 0.2 . 1 . . . . 68 P C . 17328 1 412 . 1 1 91 91 PRO CA C 13 63.963 0.2 . 1 . . . . 68 P CA . 17328 1 413 . 1 1 91 91 PRO CB C 13 31.275 0.2 . 1 . . . . 68 P CB . 17328 1 414 . 1 1 92 92 PHE H H 1 8.872 0.01 . 1 . . . . 69 F HN . 17328 1 415 . 1 1 92 92 PHE C C 13 176.927 0.2 . 1 . . . . 69 F C . 17328 1 416 . 1 1 92 92 PHE CA C 13 56.727 0.2 . 1 . . . . 69 F CA . 17328 1 417 . 1 1 92 92 PHE CB C 13 37.726 0.2 . 1 . . . . 69 F CB . 17328 1 418 . 1 1 92 92 PHE N N 15 116.791 0.1 . 1 . . . . 69 F N . 17328 1 419 . 1 1 93 93 LYS H H 1 7.635 0.01 . 1 . . . . 70 K HN . 17328 1 420 . 1 1 93 93 LYS C C 13 175.974 0.2 . 1 . . . . 70 K C . 17328 1 421 . 1 1 93 93 LYS CA C 13 60.290 0.2 . 1 . . . . 70 K CA . 17328 1 422 . 1 1 93 93 LYS CB C 13 30.942 0.2 . 1 . . . . 70 K CB . 17328 1 423 . 1 1 93 93 LYS N N 15 119.269 0.1 . 1 . . . . 70 K N . 17328 1 424 . 1 1 94 94 GLU H H 1 8.590 0.01 . 1 . . . . 71 E HN . 17328 1 425 . 1 1 94 94 GLU C C 13 178.892 0.2 . 1 . . . . 71 E C . 17328 1 426 . 1 1 94 94 GLU CA C 13 60.431 0.2 . 1 . . . . 71 E CA . 17328 1 427 . 1 1 94 94 GLU CB C 13 28.081 0.2 . 1 . . . . 71 E CB . 17328 1 428 . 1 1 94 94 GLU N N 15 120.436 0.1 . 1 . . . . 71 E N . 17328 1 429 . 1 1 95 95 ARG H H 1 7.474 0.01 . 1 . . . . 72 R HN . 17328 1 430 . 1 1 95 95 ARG C C 13 177.969 0.2 . 1 . . . . 72 R C . 17328 1 431 . 1 1 95 95 ARG CA C 13 56.604 0.2 . 1 . . . . 72 R CA . 17328 1 432 . 1 1 95 95 ARG CB C 13 28.461 0.2 . 1 . . . . 72 R CB . 17328 1 433 . 1 1 95 95 ARG N N 15 119.561 0.1 . 1 . . . . 72 R N . 17328 1 434 . 1 1 96 96 ILE H H 1 8.366 0.01 . 1 . . . . 73 I HN . 17328 1 435 . 1 1 96 96 ILE HD11 H 1 0.825 0.01 . 1 . . . . 73 I HD11 . 17328 1 436 . 1 1 96 96 ILE HD12 H 1 0.825 0.01 . 1 . . . . 73 I HD11 . 17328 1 437 . 1 1 96 96 ILE HD13 H 1 0.825 0.01 . 1 . . . . 73 I HD11 . 17328 1 438 . 1 1 96 96 ILE C C 13 177.175 0.2 . 1 . . . . 73 I C . 17328 1 439 . 1 1 96 96 ILE CA C 13 65.937 0.2 . 1 . . . . 73 I CA . 17328 1 440 . 1 1 96 96 ILE CB C 13 37.351 0.2 . 1 . . . . 73 I CB . 17328 1 441 . 1 1 96 96 ILE CD1 C 13 11.483 0.2 . 1 . . . . 73 I CD1 . 17328 1 442 . 1 1 96 96 ILE N N 15 118.686 0.1 . 1 . . . . 73 I N . 17328 1 443 . 1 1 97 97 CYS H H 1 7.236 0.01 . 1 . . . . 74 C HN . 17328 1 444 . 1 1 97 97 CYS C C 13 174.888 0.2 . 1 . . . . 74 C C . 17328 1 445 . 1 1 97 97 CYS CA C 13 64.909 0.2 . 1 . . . . 74 C CA . 17328 1 446 . 1 1 97 97 CYS CB C 13 24.596 0.2 . 1 . . . . 74 C CB . 17328 1 447 . 1 1 97 97 CYS N N 15 115.187 0.1 . 1 . . . . 74 C N . 17328 1 448 . 1 1 98 98 ARG H H 1 7.140 0.01 . 1 . . . . 75 R HN . 17328 1 449 . 1 1 98 98 ARG C C 13 178.418 0.2 . 1 . . . . 75 R C . 17328 1 450 . 1 1 98 98 ARG CA C 13 59.356 0.2 . 1 . . . . 75 R CA . 17328 1 451 . 1 1 98 98 ARG CB C 13 29.392 0.2 . 1 . . . . 75 R CB . 17328 1 452 . 1 1 98 98 ARG N N 15 116.062 0.1 . 1 . . . . 75 R N . 17328 1 453 . 1 1 99 99 VAL H H 1 7.973 0.01 . 1 . . . . 76 V HN . 17328 1 454 . 1 1 99 99 VAL HG11 H 1 0.416 0.01 . 4 . . . . 76 V HG11 . 17328 1 455 . 1 1 99 99 VAL HG12 H 1 0.416 0.01 . 4 . . . . 76 V HG11 . 17328 1 456 . 1 1 99 99 VAL HG13 H 1 0.416 0.01 . 4 . . . . 76 V HG11 . 17328 1 457 . 1 1 99 99 VAL HG21 H 1 0.766 0.01 . 4 . . . . 76 V HG21 . 17328 1 458 . 1 1 99 99 VAL HG22 H 1 0.766 0.01 . 4 . . . . 76 V HG21 . 17328 1 459 . 1 1 99 99 VAL HG23 H 1 0.766 0.01 . 4 . . . . 76 V HG21 . 17328 1 460 . 1 1 99 99 VAL C C 13 177.117 0.2 . 1 . . . . 76 V C . 17328 1 461 . 1 1 99 99 VAL CA C 13 64.908 0.2 . 1 . . . . 76 V CA . 17328 1 462 . 1 1 99 99 VAL CB C 13 30.906 0.2 . 1 . . . . 76 V CB . 17328 1 463 . 1 1 99 99 VAL CG1 C 13 18.991 0.2 . 2 . . . . 76 V CG1 . 17328 1 464 . 1 1 99 99 VAL CG2 C 13 20.919 0.2 . 2 . . . . 76 V CG2 . 17328 1 465 . 1 1 99 99 VAL N N 15 116.937 0.1 . 1 . . . . 76 V N . 17328 1 466 . 1 1 100 100 PHE H H 1 7.382 0.01 . 1 . . . . 77 F HN . 17328 1 467 . 1 1 100 100 PHE C C 13 175.045 0.2 . 1 . . . . 77 F C . 17328 1 468 . 1 1 100 100 PHE CA C 13 60.175 0.2 . 1 . . . . 77 F CA . 17328 1 469 . 1 1 100 100 PHE CB C 13 38.832 0.2 . 1 . . . . 77 F CB . 17328 1 470 . 1 1 100 100 PHE N N 15 115.333 0.1 . 1 . . . . 77 F N . 17328 1 471 . 1 1 101 101 SER H H 1 7.155 0.01 . 1 . . . . 78 S HN . 17328 1 472 . 1 1 101 101 SER C C 13 177.266 0.2 . 1 . . . . 78 S C . 17328 1 473 . 1 1 101 101 SER CA C 13 58.652 0.2 . 1 . . . . 78 S CA . 17328 1 474 . 1 1 101 101 SER CB C 13 64.046 0.2 . 1 . . . . 78 S CB . 17328 1 475 . 1 1 101 101 SER N N 15 112.418 0.1 . 1 . . . . 78 S N . 17328 1 476 . 1 1 102 102 THR H H 1 9.214 0.01 . 1 . . . . 79 T HN . 17328 1 477 . 1 1 102 102 THR C C 13 175.769 0.2 . 1 . . . . 79 T C . 17328 1 478 . 1 1 102 102 THR CA C 13 61.087 0.2 . 1 . . . . 79 T CA . 17328 1 479 . 1 1 102 102 THR CB C 13 68.541 0.2 . 1 . . . . 79 T CB . 17328 1 480 . 1 1 102 102 THR N N 15 120.581 0.1 . 1 . . . . 79 T N . 17328 1 481 . 1 1 103 103 SER H H 1 8.105 0.01 . 1 . . . . 80 S HN . 17328 1 482 . 1 1 103 103 SER C C 13 175.737 0.2 . 1 . . . . 80 S C . 17328 1 483 . 1 1 103 103 SER CA C 13 56.059 0.2 . 1 . . . . 80 S CA . 17328 1 484 . 1 1 103 103 SER CB C 13 63.109 0.2 . 1 . . . . 80 S CB . 17328 1 485 . 1 1 103 103 SER N N 15 121.310 0.1 . 1 . . . . 80 S N . 17328 1 486 . 1 1 104 104 PRO C C 13 177.575 0.2 . 1 . . . . 81 P C . 17328 1 487 . 1 1 104 104 PRO CA C 13 65.501 0.2 . 1 . . . . 81 P CA . 17328 1 488 . 1 1 104 104 PRO CB C 13 31.172 0.2 . 1 . . . . 81 P CB . 17328 1 489 . 1 1 105 105 ALA H H 1 7.964 0.01 . 1 . . . . 82 A HN . 17328 1 490 . 1 1 105 105 ALA C C 13 177.075 0.2 . 1 . . . . 82 A C . 17328 1 491 . 1 1 105 105 ALA CA C 13 51.274 0.2 . 1 . . . . 82 A CA . 17328 1 492 . 1 1 105 105 ALA CB C 13 17.855 0.2 . 1 . . . . 82 A CB . 17328 1 493 . 1 1 105 105 ALA N N 15 117.957 0.1 . 1 . . . . 82 A N . 17328 1 494 . 1 1 106 106 LYS H H 1 7.973 0.01 . 1 . . . . 83 K HN . 17328 1 495 . 1 1 106 106 LYS C C 13 175.143 0.2 . 1 . . . . 83 K C . 17328 1 496 . 1 1 106 106 LYS CA C 13 55.831 0.2 . 1 . . . . 83 K CA . 17328 1 497 . 1 1 106 106 LYS CB C 13 29.428 0.2 . 1 . . . . 83 K CB . 17328 1 498 . 1 1 106 106 LYS N N 15 115.333 0.1 . 1 . . . . 83 K N . 17328 1 499 . 1 1 107 107 ASP H H 1 7.649 0.01 . 1 . . . . 84 D HN . 17328 1 500 . 1 1 107 107 ASP C C 13 175.873 0.2 . 1 . . . . 84 D C . 17328 1 501 . 1 1 107 107 ASP CA C 13 52.276 0.2 . 1 . . . . 84 D CA . 17328 1 502 . 1 1 107 107 ASP CB C 13 40.517 0.2 . 1 . . . . 84 D CB . 17328 1 503 . 1 1 107 107 ASP N N 15 112.126 0.1 . 1 . . . . 84 D N . 17328 1 504 . 1 1 108 108 SER H H 1 7.252 0.01 . 1 . . . . 85 S HN . 17328 1 505 . 1 1 108 108 SER C C 13 172.880 0.2 . 1 . . . . 85 S C . 17328 1 506 . 1 1 108 108 SER CA C 13 57.065 0.2 . 1 . . . . 85 S CA . 17328 1 507 . 1 1 108 108 SER CB C 13 65.243 0.2 . 1 . . . . 85 S CB . 17328 1 508 . 1 1 108 108 SER N N 15 113.438 0.1 . 1 . . . . 85 S N . 17328 1 509 . 1 1 109 109 LEU H H 1 9.161 0.01 . 1 . . . . 86 L HN . 17328 1 510 . 1 1 109 109 LEU HD11 H 1 1.097 0.01 . 4 . . . . 86 L HD11 . 17328 1 511 . 1 1 109 109 LEU HD12 H 1 1.097 0.01 . 4 . . . . 86 L HD11 . 17328 1 512 . 1 1 109 109 LEU HD13 H 1 1.097 0.01 . 4 . . . . 86 L HD11 . 17328 1 513 . 1 1 109 109 LEU HD21 H 1 1.202 0.01 . 4 . . . . 86 L HD21 . 17328 1 514 . 1 1 109 109 LEU HD22 H 1 1.202 0.01 . 4 . . . . 86 L HD21 . 17328 1 515 . 1 1 109 109 LEU HD23 H 1 1.202 0.01 . 4 . . . . 86 L HD21 . 17328 1 516 . 1 1 109 109 LEU C C 13 176.376 0.2 . 1 . . . . 86 L C . 17328 1 517 . 1 1 109 109 LEU CA C 13 54.294 0.2 . 1 . . . . 86 L CA . 17328 1 518 . 1 1 109 109 LEU CB C 13 44.180 0.2 . 1 . . . . 86 L CB . 17328 1 519 . 1 1 109 109 LEU CD1 C 13 24.465 0.2 . 2 . . . . 86 L CD1 . 17328 1 520 . 1 1 109 109 LEU CD2 C 13 22.695 0.2 . 2 . . . . 86 L CD2 . 17328 1 521 . 1 1 109 109 LEU N N 15 121.456 0.1 . 1 . . . . 86 L N . 17328 1 522 . 1 1 110 110 SER H H 1 8.326 0.01 . 1 . . . . 87 S HN . 17328 1 523 . 1 1 110 110 SER C C 13 174.778 0.2 . 1 . . . . 87 S C . 17328 1 524 . 1 1 110 110 SER CA C 13 56.098 0.2 . 1 . . . . 87 S CA . 17328 1 525 . 1 1 110 110 SER CB C 13 65.614 0.2 . 1 . . . . 87 S CB . 17328 1 526 . 1 1 110 110 SER N N 15 117.957 0.1 . 1 . . . . 87 S N . 17328 1 527 . 1 1 111 111 PHE H H 1 9.883 0.01 . 1 . . . . 88 F HN . 17328 1 528 . 1 1 111 111 PHE C C 13 176.775 0.2 . 1 . . . . 88 F C . 17328 1 529 . 1 1 111 111 PHE CA C 13 60.448 0.2 . 1 . . . . 88 F CA . 17328 1 530 . 1 1 111 111 PHE CB C 13 37.093 0.2 . 1 . . . . 88 F CB . 17328 1 531 . 1 1 111 111 PHE N N 15 122.768 0.1 . 1 . . . . 88 F N . 17328 1 532 . 1 1 112 112 GLU H H 1 8.216 0.01 . 1 . . . . 89 E HN . 17328 1 533 . 1 1 112 112 GLU C C 13 178.520 0.2 . 1 . . . . 89 E C . 17328 1 534 . 1 1 112 112 GLU CA C 13 60.078 0.2 . 1 . . . . 89 E CA . 17328 1 535 . 1 1 112 112 GLU CB C 13 28.106 0.2 . 1 . . . . 89 E CB . 17328 1 536 . 1 1 112 112 GLU N N 15 117.666 0.1 . 1 . . . . 89 E N . 17328 1 537 . 1 1 113 113 ASP H H 1 7.695 0.01 . 1 . . . . 90 D HN . 17328 1 538 . 1 1 113 113 ASP C C 13 177.680 0.2 . 1 . . . . 90 D C . 17328 1 539 . 1 1 113 113 ASP CA C 13 56.977 0.2 . 1 . . . . 90 D CA . 17328 1 540 . 1 1 113 113 ASP CB C 13 41.825 0.2 . 1 . . . . 90 D CB . 17328 1 541 . 1 1 113 113 ASP N N 15 121.748 0.1 . 1 . . . . 90 D N . 17328 1 542 . 1 1 114 114 PHE H H 1 8.113 0.01 . 1 . . . . 91 F HN . 17328 1 543 . 1 1 114 114 PHE C C 13 176.366 0.2 . 1 . . . . 91 F C . 17328 1 544 . 1 1 114 114 PHE CA C 13 59.796 0.2 . 1 . . . . 91 F CA . 17328 1 545 . 1 1 114 114 PHE CB C 13 39.111 0.2 . 1 . . . . 91 F CB . 17328 1 546 . 1 1 114 114 PHE N N 15 120.873 0.1 . 1 . . . . 91 F N . 17328 1 547 . 1 1 115 115 LEU H H 1 8.160 0.01 . 1 . . . . 92 L HN . 17328 1 548 . 1 1 115 115 LEU HD11 H 1 0.108 0.01 . 4 . . . . 92 L HD11 . 17328 1 549 . 1 1 115 115 LEU HD12 H 1 0.108 0.01 . 4 . . . . 92 L HD11 . 17328 1 550 . 1 1 115 115 LEU HD13 H 1 0.108 0.01 . 4 . . . . 92 L HD11 . 17328 1 551 . 1 1 115 115 LEU HD21 H 1 0.330 0.01 . 4 . . . . 92 L HD21 . 17328 1 552 . 1 1 115 115 LEU HD22 H 1 0.330 0.01 . 4 . . . . 92 L HD21 . 17328 1 553 . 1 1 115 115 LEU HD23 H 1 0.330 0.01 . 4 . . . . 92 L HD21 . 17328 1 554 . 1 1 115 115 LEU C C 13 179.040 0.2 . 1 . . . . 92 L C . 17328 1 555 . 1 1 115 115 LEU CA C 13 56.896 0.2 . 1 . . . . 92 L CA . 17328 1 556 . 1 1 115 115 LEU CB C 13 40.336 0.2 . 1 . . . . 92 L CB . 17328 1 557 . 1 1 115 115 LEU CD1 C 13 23.840 0.2 . 2 . . . . 92 L CD1 . 17328 1 558 . 1 1 115 115 LEU CD2 C 13 21.758 0.2 . 2 . . . . 92 L CD2 . 17328 1 559 . 1 1 115 115 LEU N N 15 118.103 0.1 . 1 . . . . 92 L N . 17328 1 560 . 1 1 116 116 ASP H H 1 7.575 0.01 . 1 . . . . 93 D HN . 17328 1 561 . 1 1 116 116 ASP C C 13 177.072 0.2 . 1 . . . . 93 D C . 17328 1 562 . 1 1 116 116 ASP CA C 13 57.227 0.2 . 1 . . . . 93 D CA . 17328 1 563 . 1 1 116 116 ASP CB C 13 39.929 0.2 . 1 . . . . 93 D CB . 17328 1 564 . 1 1 116 116 ASP N N 15 120.290 0.1 . 1 . . . . 93 D N . 17328 1 565 . 1 1 117 117 LEU H H 1 7.327 0.01 . 1 . . . . 94 L HN . 17328 1 566 . 1 1 117 117 LEU HD11 H 1 0.420 0.01 . 4 . . . . 94 L HD11 . 17328 1 567 . 1 1 117 117 LEU HD12 H 1 0.420 0.01 . 4 . . . . 94 L HD11 . 17328 1 568 . 1 1 117 117 LEU HD13 H 1 0.420 0.01 . 4 . . . . 94 L HD11 . 17328 1 569 . 1 1 117 117 LEU HD21 H 1 0.399 0.01 . 4 . . . . 94 L HD21 . 17328 1 570 . 1 1 117 117 LEU HD22 H 1 0.399 0.01 . 4 . . . . 94 L HD21 . 17328 1 571 . 1 1 117 117 LEU HD23 H 1 0.399 0.01 . 4 . . . . 94 L HD21 . 17328 1 572 . 1 1 117 117 LEU C C 13 177.867 0.2 . 1 . . . . 94 L C . 17328 1 573 . 1 1 117 117 LEU CA C 13 57.558 0.2 . 1 . . . . 94 L CA . 17328 1 574 . 1 1 117 117 LEU CB C 13 40.503 0.2 . 1 . . . . 94 L CB . 17328 1 575 . 1 1 117 117 LEU CD1 C 13 24.601 0.2 . 2 . . . . 94 L CD1 . 17328 1 576 . 1 1 117 117 LEU CD2 C 13 22.740 0.2 . 2 . . . . 94 L CD2 . 17328 1 577 . 1 1 117 117 LEU N N 15 121.893 0.1 . 1 . . . . 94 L N . 17328 1 578 . 1 1 118 118 LEU H H 1 7.645 0.01 . 1 . . . . 95 L HN . 17328 1 579 . 1 1 118 118 LEU HD11 H 1 0.232 0.01 . 4 . . . . 95 L HD11 . 17328 1 580 . 1 1 118 118 LEU HD12 H 1 0.232 0.01 . 4 . . . . 95 L HD11 . 17328 1 581 . 1 1 118 118 LEU HD13 H 1 0.232 0.01 . 4 . . . . 95 L HD11 . 17328 1 582 . 1 1 118 118 LEU HD21 H 1 0.402 0.01 . 4 . . . . 95 L HD21 . 17328 1 583 . 1 1 118 118 LEU HD22 H 1 0.402 0.01 . 4 . . . . 95 L HD21 . 17328 1 584 . 1 1 118 118 LEU HD23 H 1 0.402 0.01 . 4 . . . . 95 L HD21 . 17328 1 585 . 1 1 118 118 LEU C C 13 179.927 0.2 . 1 . . . . 95 L C . 17328 1 586 . 1 1 118 118 LEU CA C 13 56.852 0.2 . 1 . . . . 95 L CA . 17328 1 587 . 1 1 118 118 LEU CB C 13 40.611 0.2 . 1 . . . . 95 L CB . 17328 1 588 . 1 1 118 118 LEU CD1 C 13 24.314 0.2 . 2 . . . . 95 L CD1 . 17328 1 589 . 1 1 118 118 LEU CD2 C 13 19.469 0.2 . 2 . . . . 95 L CD2 . 17328 1 590 . 1 1 118 118 LEU N N 15 116.937 0.1 . 1 . . . . 95 L N . 17328 1 591 . 1 1 119 119 SER H H 1 8.255 0.01 . 1 . . . . 96 S HN . 17328 1 592 . 1 1 119 119 SER CA C 13 61.486 0.2 . 1 . . . . 96 S CA . 17328 1 593 . 1 1 119 119 SER CB C 13 62.836 0.2 . 1 . . . . 96 S CB . 17328 1 594 . 1 1 119 119 SER N N 15 114.896 0.1 . 1 . . . . 96 S N . 17328 1 595 . 1 1 120 120 VAL HG11 H 1 0.465 0.01 . 4 . . . . 97 V HG11 . 17328 1 596 . 1 1 120 120 VAL HG12 H 1 0.465 0.01 . 4 . . . . 97 V HG11 . 17328 1 597 . 1 1 120 120 VAL HG13 H 1 0.465 0.01 . 4 . . . . 97 V HG11 . 17328 1 598 . 1 1 120 120 VAL HG21 H 1 0.592 0.01 . 4 . . . . 97 V HG21 . 17328 1 599 . 1 1 120 120 VAL HG22 H 1 0.592 0.01 . 4 . . . . 97 V HG21 . 17328 1 600 . 1 1 120 120 VAL HG23 H 1 0.592 0.01 . 4 . . . . 97 V HG21 . 17328 1 601 . 1 1 120 120 VAL CG1 C 13 19.336 0.2 . 2 . . . . 97 V CG1 . 17328 1 602 . 1 1 120 120 VAL CG2 C 13 21.020 0.2 . 2 . . . . 97 V CG2 . 17328 1 603 . 1 1 121 121 PHE C C 13 175.469 0.2 . 1 . . . . 98 F C . 17328 1 604 . 1 1 121 121 PHE CA C 13 57.376 0.2 . 1 . . . . 98 F CA . 17328 1 605 . 1 1 121 121 PHE CB C 13 37.838 0.2 . 1 . . . . 98 F CB . 17328 1 606 . 1 1 122 122 SER H H 1 7.283 0.01 . 1 . . . . 99 S HN . 17328 1 607 . 1 1 122 122 SER C C 13 176.359 0.2 . 1 . . . . 99 S C . 17328 1 608 . 1 1 122 122 SER CA C 13 58.223 0.2 . 1 . . . . 99 S CA . 17328 1 609 . 1 1 122 122 SER CB C 13 63.973 0.2 . 1 . . . . 99 S CB . 17328 1 610 . 1 1 122 122 SER N N 15 115.916 0.1 . 1 . . . . 99 S N . 17328 1 611 . 1 1 123 123 ASP C C 13 177.303 0.2 . 1 . . . . 100 D C . 17328 1 612 . 1 1 123 123 ASP CA C 13 56.263 0.2 . 1 . . . . 100 D CA . 17328 1 613 . 1 1 123 123 ASP CB C 13 40.258 0.2 . 1 . . . . 100 D CB . 17328 1 614 . 1 1 124 124 THR H H 1 8.046 0.01 . 1 . . . . 101 T HN . 17328 1 615 . 1 1 124 124 THR C C 13 174.600 0.2 . 1 . . . . 101 T C . 17328 1 616 . 1 1 124 124 THR CA C 13 61.982 0.2 . 1 . . . . 101 T CA . 17328 1 617 . 1 1 124 124 THR CB C 13 68.547 0.2 . 1 . . . . 101 T CB . 17328 1 618 . 1 1 124 124 THR N N 15 110.522 0.1 . 1 . . . . 101 T N . 17328 1 619 . 1 1 125 125 ALA H H 1 6.877 0.01 . 1 . . . . 102 A HN . 17328 1 620 . 1 1 125 125 ALA C C 13 177.165 0.2 . 1 . . . . 102 A C . 17328 1 621 . 1 1 125 125 ALA CA C 13 51.910 0.2 . 1 . . . . 102 A CA . 17328 1 622 . 1 1 125 125 ALA CB C 13 18.719 0.2 . 1 . . . . 102 A CB . 17328 1 623 . 1 1 125 125 ALA N N 15 124.663 0.1 . 1 . . . . 102 A N . 17328 1 624 . 1 1 126 126 THR H H 1 6.356 0.01 . 1 . . . . 103 T HN . 17328 1 625 . 1 1 126 126 THR N N 15 111.980 0.1 . 1 . . . . 103 T N . 17328 1 626 . 1 1 127 127 PRO C C 13 178.879 0.2 . 1 . . . . 104 P C . 17328 1 627 . 1 1 128 128 ASP H H 1 8.418 0.01 . 1 . . . . 105 D HN . 17328 1 628 . 1 1 128 128 ASP C C 13 178.221 0.2 . 1 . . . . 105 D C . 17328 1 629 . 1 1 128 128 ASP CA C 13 56.432 0.2 . 1 . . . . 105 D CA . 17328 1 630 . 1 1 128 128 ASP CB C 13 39.433 0.2 . 1 . . . . 105 D CB . 17328 1 631 . 1 1 128 128 ASP N N 15 116.354 0.1 . 1 . . . . 105 D N . 17328 1 632 . 1 1 129 129 ILE H H 1 7.476 0.01 . 1 . . . . 106 I HN . 17328 1 633 . 1 1 129 129 ILE HD11 H 1 0.951 0.01 . 1 . . . . 106 I HD11 . 17328 1 634 . 1 1 129 129 ILE HD12 H 1 0.951 0.01 . 1 . . . . 106 I HD11 . 17328 1 635 . 1 1 129 129 ILE HD13 H 1 0.951 0.01 . 1 . . . . 106 I HD11 . 17328 1 636 . 1 1 129 129 ILE C C 13 178.109 0.2 . 1 . . . . 106 I C . 17328 1 637 . 1 1 129 129 ILE CA C 13 62.975 0.2 . 1 . . . . 106 I CA . 17328 1 638 . 1 1 129 129 ILE CB C 13 36.943 0.2 . 1 . . . . 106 I CB . 17328 1 639 . 1 1 129 129 ILE CD1 C 13 10.192 0.2 . 1 . . . . 106 I CD1 . 17328 1 640 . 1 1 129 129 ILE N N 15 122.768 0.1 . 1 . . . . 106 I N . 17328 1 641 . 1 1 130 130 LYS H H 1 7.852 0.01 . 1 . . . . 107 K HN . 17328 1 642 . 1 1 130 130 LYS C C 13 179.211 0.2 . 1 . . . . 107 K C . 17328 1 643 . 1 1 130 130 LYS CA C 13 60.346 0.2 . 1 . . . . 107 K CA . 17328 1 644 . 1 1 130 130 LYS CB C 13 32.171 0.2 . 1 . . . . 107 K CB . 17328 1 645 . 1 1 130 130 LYS N N 15 119.853 0.1 . 1 . . . . 107 K N . 17328 1 646 . 1 1 131 131 SER H H 1 8.461 0.01 . 1 . . . . 108 S HN . 17328 1 647 . 1 1 131 131 SER C C 13 175.746 0.2 . 1 . . . . 108 S C . 17328 1 648 . 1 1 131 131 SER CA C 13 61.790 0.2 . 1 . . . . 108 S CA . 17328 1 649 . 1 1 131 131 SER CB C 13 62.872 0.2 . 1 . . . . 108 S CB . 17328 1 650 . 1 1 131 131 SER N N 15 113.730 0.1 . 1 . . . . 108 S N . 17328 1 651 . 1 1 132 132 HIS H H 1 7.666 0.01 . 1 . . . . 109 H HN . 17328 1 652 . 1 1 132 132 HIS C C 13 177.898 0.2 . 1 . . . . 109 H C . 17328 1 653 . 1 1 132 132 HIS CA C 13 59.421 0.2 . 1 . . . . 109 H CA . 17328 1 654 . 1 1 132 132 HIS CB C 13 29.652 0.2 . 1 . . . . 109 H CB . 17328 1 655 . 1 1 132 132 HIS N N 15 122.477 0.1 . 1 . . . . 109 H N . 17328 1 656 . 1 1 133 133 TYR H H 1 7.853 0.01 . 1 . . . . 110 Y HN . 17328 1 657 . 1 1 133 133 TYR C C 13 177.664 0.2 . 1 . . . . 110 Y C . 17328 1 658 . 1 1 133 133 TYR CA C 13 62.749 0.2 . 1 . . . . 110 Y CA . 17328 1 659 . 1 1 133 133 TYR CB C 13 37.741 0.2 . 1 . . . . 110 Y CB . 17328 1 660 . 1 1 133 133 TYR N N 15 116.062 0.1 . 1 . . . . 110 Y N . 17328 1 661 . 1 1 134 134 ALA H H 1 8.518 0.01 . 1 . . . . 111 A HN . 17328 1 662 . 1 1 134 134 ALA C C 13 176.924 0.2 . 1 . . . . 111 A C . 17328 1 663 . 1 1 134 134 ALA CA C 13 55.157 0.2 . 1 . . . . 111 A CA . 17328 1 664 . 1 1 134 134 ALA CB C 13 16.925 0.2 . 1 . . . . 111 A CB . 17328 1 665 . 1 1 134 134 ALA N N 15 122.185 0.1 . 1 . . . . 111 A N . 17328 1 666 . 1 1 135 135 PHE H H 1 7.753 0.01 . 1 . . . . 112 F HN . 17328 1 667 . 1 1 135 135 PHE C C 13 175.556 0.2 . 1 . . . . 112 F C . 17328 1 668 . 1 1 135 135 PHE CA C 13 61.760 0.2 . 1 . . . . 112 F CA . 17328 1 669 . 1 1 135 135 PHE CB C 13 38.293 0.2 . 1 . . . . 112 F CB . 17328 1 670 . 1 1 135 135 PHE N N 15 116.937 0.1 . 1 . . . . 112 F N . 17328 1 671 . 1 1 136 136 ARG H H 1 7.007 0.01 . 1 . . . . 113 R HN . 17328 1 672 . 1 1 136 136 ARG C C 13 179.548 0.2 . 1 . . . . 113 R C . 17328 1 673 . 1 1 136 136 ARG CA C 13 58.046 0.2 . 1 . . . . 113 R CA . 17328 1 674 . 1 1 136 136 ARG CB C 13 29.226 0.2 . 1 . . . . 113 R CB . 17328 1 675 . 1 1 136 136 ARG N N 15 113.438 0.1 . 1 . . . . 113 R N . 17328 1 676 . 1 1 137 137 ILE H H 1 7.877 0.01 . 1 . . . . 114 I HN . 17328 1 677 . 1 1 137 137 ILE HD11 H 1 0.658 0.01 . 1 . . . . 114 I HD11 . 17328 1 678 . 1 1 137 137 ILE HD12 H 1 0.658 0.01 . 1 . . . . 114 I HD11 . 17328 1 679 . 1 1 137 137 ILE HD13 H 1 0.658 0.01 . 1 . . . . 114 I HD11 . 17328 1 680 . 1 1 137 137 ILE C C 13 176.201 0.2 . 1 . . . . 114 I C . 17328 1 681 . 1 1 137 137 ILE CA C 13 64.986 0.2 . 1 . . . . 114 I CA . 17328 1 682 . 1 1 137 137 ILE CB C 13 36.111 0.2 . 1 . . . . 114 I CB . 17328 1 683 . 1 1 137 137 ILE CD1 C 13 12.253 0.2 . 1 . . . . 114 I CD1 . 17328 1 684 . 1 1 137 137 ILE N N 15 120.436 0.1 . 1 . . . . 114 I N . 17328 1 685 . 1 1 138 138 PHE H H 1 7.398 0.01 . 1 . . . . 115 F HN . 17328 1 686 . 1 1 138 138 PHE C C 13 173.666 0.2 . 1 . . . . 115 F C . 17328 1 687 . 1 1 138 138 PHE CA C 13 56.328 0.2 . 1 . . . . 115 F CA . 17328 1 688 . 1 1 138 138 PHE CB C 13 36.885 0.2 . 1 . . . . 115 F CB . 17328 1 689 . 1 1 138 138 PHE N N 15 116.062 0.1 . 1 . . . . 115 F N . 17328 1 690 . 1 1 139 139 ASP H H 1 6.813 0.01 . 1 . . . . 116 D HN . 17328 1 691 . 1 1 139 139 ASP C C 13 176.921 0.2 . 1 . . . . 116 D C . 17328 1 692 . 1 1 139 139 ASP CA C 13 51.018 0.2 . 1 . . . . 116 D CA . 17328 1 693 . 1 1 139 139 ASP CB C 13 37.237 0.2 . 1 . . . . 116 D CB . 17328 1 694 . 1 1 139 139 ASP N N 15 119.269 0.1 . 1 . . . . 116 D N . 17328 1 695 . 1 1 140 140 PHE H H 1 7.752 0.01 . 1 . . . . 117 F HN . 17328 1 696 . 1 1 140 140 PHE C C 13 176.993 0.2 . 1 . . . . 117 F C . 17328 1 697 . 1 1 140 140 PHE CA C 13 61.671 0.2 . 1 . . . . 117 F CA . 17328 1 698 . 1 1 140 140 PHE CB C 13 39.113 0.2 . 1 . . . . 117 F CB . 17328 1 699 . 1 1 140 140 PHE N N 15 123.934 0.1 . 1 . . . . 117 F N . 17328 1 700 . 1 1 141 141 ASP H H 1 8.598 0.01 . 1 . . . . 118 D HN . 17328 1 701 . 1 1 141 141 ASP C C 13 176.305 0.2 . 1 . . . . 118 D C . 17328 1 702 . 1 1 141 141 ASP CA C 13 52.654 0.2 . 1 . . . . 118 D CA . 17328 1 703 . 1 1 141 141 ASP CB C 13 38.661 0.2 . 1 . . . . 118 D CB . 17328 1 704 . 1 1 141 141 ASP N N 15 116.645 0.1 . 1 . . . . 118 D N . 17328 1 705 . 1 1 142 142 ASP H H 1 8.323 0.01 . 1 . . . . 119 D HN . 17328 1 706 . 1 1 142 142 ASP C C 13 175.225 0.2 . 1 . . . . 119 D C . 17328 1 707 . 1 1 142 142 ASP CA C 13 55.916 0.2 . 1 . . . . 119 D CA . 17328 1 708 . 1 1 142 142 ASP CB C 13 39.984 0.2 . 1 . . . . 119 D CB . 17328 1 709 . 1 1 142 142 ASP N N 15 118.249 0.1 . 1 . . . . 119 D N . 17328 1 710 . 1 1 143 143 ASP H H 1 8.396 0.01 . 1 . . . . 120 D HN . 17328 1 711 . 1 1 143 143 ASP C C 13 178.292 0.2 . 1 . . . . 120 D C . 17328 1 712 . 1 1 143 143 ASP CA C 13 53.374 0.2 . 1 . . . . 120 D CA . 17328 1 713 . 1 1 143 143 ASP CB C 13 40.811 0.2 . 1 . . . . 120 D CB . 17328 1 714 . 1 1 143 143 ASP N N 15 118.249 0.1 . 1 . . . . 120 D N . 17328 1 715 . 1 1 144 144 GLY H H 1 10.900 0.01 . 1 . . . . 121 G HN . 17328 1 716 . 1 1 144 144 GLY C C 13 173.398 0.2 . 1 . . . . 121 G C . 17328 1 717 . 1 1 144 144 GLY CA C 13 45.067 0.2 . 1 . . . . 121 G CA . 17328 1 718 . 1 1 144 144 GLY N N 15 115.333 0.1 . 1 . . . . 121 G N . 17328 1 719 . 1 1 145 145 THR H H 1 8.099 0.01 . 1 . . . . 122 T HN . 17328 1 720 . 1 1 145 145 THR C C 13 170.445 0.2 . 1 . . . . 122 T C . 17328 1 721 . 1 1 145 145 THR CA C 13 60.182 0.2 . 1 . . . . 122 T CA . 17328 1 722 . 1 1 145 145 THR CB C 13 70.483 0.2 . 1 . . . . 122 T CB . 17328 1 723 . 1 1 145 145 THR N N 15 115.187 0.1 . 1 . . . . 122 T N . 17328 1 724 . 1 1 146 146 LEU H H 1 8.728 0.01 . 1 . . . . 123 L HN . 17328 1 725 . 1 1 146 146 LEU HD11 H 1 0.571 0.01 . 4 . . . . 123 L HD11 . 17328 1 726 . 1 1 146 146 LEU HD12 H 1 0.571 0.01 . 4 . . . . 123 L HD11 . 17328 1 727 . 1 1 146 146 LEU HD13 H 1 0.571 0.01 . 4 . . . . 123 L HD11 . 17328 1 728 . 1 1 146 146 LEU HD21 H 1 0.213 0.01 . 4 . . . . 123 L HD21 . 17328 1 729 . 1 1 146 146 LEU HD22 H 1 0.213 0.01 . 4 . . . . 123 L HD21 . 17328 1 730 . 1 1 146 146 LEU HD23 H 1 0.213 0.01 . 4 . . . . 123 L HD21 . 17328 1 731 . 1 1 146 146 LEU C C 13 175.499 0.2 . 1 . . . . 123 L C . 17328 1 732 . 1 1 146 146 LEU CA C 13 53.116 0.2 . 1 . . . . 123 L CA . 17328 1 733 . 1 1 146 146 LEU CB C 13 39.708 0.2 . 1 . . . . 123 L CB . 17328 1 734 . 1 1 146 146 LEU CD1 C 13 24.254 0.2 . 2 . . . . 123 L CD1 . 17328 1 735 . 1 1 146 146 LEU CD2 C 13 19.747 0.2 . 2 . . . . 123 L CD2 . 17328 1 736 . 1 1 146 146 LEU N N 15 127.871 0.1 . 1 . . . . 123 L N . 17328 1 737 . 1 1 147 147 ASN H H 1 8.079 0.01 . 1 . . . . 124 N HN . 17328 1 738 . 1 1 147 147 ASN CA C 13 50.159 0.2 . 1 . . . . 124 N CA . 17328 1 739 . 1 1 147 147 ASN CB C 13 37.847 0.2 . 1 . . . . 124 N CB . 17328 1 740 . 1 1 147 147 ASN N N 15 123.351 0.1 . 1 . . . . 124 N N . 17328 1 741 . 1 1 148 148 ARG C C 13 178.507 0.2 . 1 . . . . 125 R C . 17328 1 742 . 1 1 148 148 ARG CA C 13 60.569 0.2 . 1 . . . . 125 R CA . 17328 1 743 . 1 1 148 148 ARG CB C 13 29.463 0.2 . 1 . . . . 125 R CB . 17328 1 744 . 1 1 149 149 GLU H H 1 7.503 0.01 . 1 . . . . 126 E HN . 17328 1 745 . 1 1 149 149 GLU C C 13 179.564 0.2 . 1 . . . . 126 E C . 17328 1 746 . 1 1 149 149 GLU CA C 13 59.065 0.2 . 1 . . . . 126 E CA . 17328 1 747 . 1 1 149 149 GLU CB C 13 28.060 0.2 . 1 . . . . 126 E CB . 17328 1 748 . 1 1 149 149 GLU N N 15 120.727 0.1 . 1 . . . . 126 E N . 17328 1 749 . 1 1 150 150 ASP H H 1 8.389 0.01 . 1 . . . . 127 D HN . 17328 1 750 . 1 1 150 150 ASP CA C 13 57.814 0.2 . 1 . . . . 127 D CA . 17328 1 751 . 1 1 150 150 ASP CB C 13 40.890 0.2 . 1 . . . . 127 D CB . 17328 1 752 . 1 1 150 150 ASP N N 15 123.789 0.1 . 1 . . . . 127 D N . 17328 1 753 . 1 1 151 151 LEU HD21 H 1 0.867 0.01 . 4 . . . . 128 L HD21 . 17328 1 754 . 1 1 151 151 LEU HD22 H 1 0.867 0.01 . 4 . . . . 128 L HD21 . 17328 1 755 . 1 1 151 151 LEU HD23 H 1 0.867 0.01 . 4 . . . . 128 L HD21 . 17328 1 756 . 1 1 151 151 LEU C C 13 178.488 0.2 . 1 . . . . 128 L C . 17328 1 757 . 1 1 151 151 LEU CA C 13 57.259 0.2 . 1 . . . . 128 L CA . 17328 1 758 . 1 1 151 151 LEU CB C 13 41.422 0.2 . 1 . . . . 128 L CB . 17328 1 759 . 1 1 151 151 LEU CD2 C 13 20.822 0.2 . 2 . . . . 128 L CD2 . 17328 1 760 . 1 1 152 152 SER H H 1 8.121 0.01 . 1 . . . . 129 S HN . 17328 1 761 . 1 1 152 152 SER C C 13 176.218 0.2 . 1 . . . . 129 S C . 17328 1 762 . 1 1 152 152 SER CA C 13 61.472 0.2 . 1 . . . . 129 S CA . 17328 1 763 . 1 1 152 152 SER CB C 13 62.577 0.2 . 1 . . . . 129 S CB . 17328 1 764 . 1 1 152 152 SER N N 15 115.771 0.1 . 1 . . . . 129 S N . 17328 1 765 . 1 1 154 154 LEU HD11 H 1 0.276 0.01 . 4 . . . . 131 L HD11 . 17328 1 766 . 1 1 154 154 LEU HD12 H 1 0.276 0.01 . 4 . . . . 131 L HD11 . 17328 1 767 . 1 1 154 154 LEU HD13 H 1 0.276 0.01 . 4 . . . . 131 L HD11 . 17328 1 768 . 1 1 154 154 LEU HD21 H 1 0.557 0.01 . 4 . . . . 131 L HD21 . 17328 1 769 . 1 1 154 154 LEU HD22 H 1 0.557 0.01 . 4 . . . . 131 L HD21 . 17328 1 770 . 1 1 154 154 LEU HD23 H 1 0.557 0.01 . 4 . . . . 131 L HD21 . 17328 1 771 . 1 1 154 154 LEU CD1 C 13 22.535 0.2 . 2 . . . . 131 L CD1 . 17328 1 772 . 1 1 154 154 LEU CD2 C 13 23.273 0.2 . 2 . . . . 131 L CD2 . 17328 1 773 . 1 1 155 155 VAL HG11 H 1 0.955 0.01 . 4 . . . . 132 V HG11 . 17328 1 774 . 1 1 155 155 VAL HG12 H 1 0.955 0.01 . 4 . . . . 132 V HG11 . 17328 1 775 . 1 1 155 155 VAL HG13 H 1 0.955 0.01 . 4 . . . . 132 V HG11 . 17328 1 776 . 1 1 155 155 VAL HG21 H 1 1.012 0.01 . 4 . . . . 132 V HG21 . 17328 1 777 . 1 1 155 155 VAL HG22 H 1 1.012 0.01 . 4 . . . . 132 V HG21 . 17328 1 778 . 1 1 155 155 VAL HG23 H 1 1.012 0.01 . 4 . . . . 132 V HG21 . 17328 1 779 . 1 1 155 155 VAL C C 13 178.896 0.2 . 1 . . . . 132 V C . 17328 1 780 . 1 1 155 155 VAL CA C 13 66.527 0.2 . 1 . . . . 132 V CA . 17328 1 781 . 1 1 155 155 VAL CB C 13 30.795 0.2 . 1 . . . . 132 V CB . 17328 1 782 . 1 1 155 155 VAL CG1 C 13 20.159 0.2 . 2 . . . . 132 V CG1 . 17328 1 783 . 1 1 155 155 VAL CG2 C 13 20.705 0.2 . 2 . . . . 132 V CG2 . 17328 1 784 . 1 1 156 156 ASN H H 1 8.054 0.01 . 1 . . . . 133 N HN . 17328 1 785 . 1 1 156 156 ASN C C 13 177.603 0.2 . 1 . . . . 133 N C . 17328 1 786 . 1 1 156 156 ASN CA C 13 55.877 0.2 . 1 . . . . 133 N CA . 17328 1 787 . 1 1 156 156 ASN CB C 13 38.148 0.2 . 1 . . . . 133 N CB . 17328 1 788 . 1 1 156 156 ASN N N 15 119.269 0.1 . 1 . . . . 133 N N . 17328 1 789 . 1 1 157 157 CYS H H 1 7.937 0.01 . 1 . . . . 134 C HN . 17328 1 790 . 1 1 157 157 CYS C C 13 176.364 0.2 . 1 . . . . 134 C C . 17328 1 791 . 1 1 157 157 CYS CA C 13 62.020 0.2 . 1 . . . . 134 C CA . 17328 1 792 . 1 1 157 157 CYS CB C 13 27.353 0.2 . 1 . . . . 134 C CB . 17328 1 793 . 1 1 157 157 CYS N N 15 118.249 0.1 . 1 . . . . 134 C N . 17328 1 794 . 1 1 158 158 LEU H H 1 7.852 0.01 . 1 . . . . 135 L HN . 17328 1 795 . 1 1 158 158 LEU HD11 H 1 0.854 0.01 . 4 . . . . 135 L HD11 . 17328 1 796 . 1 1 158 158 LEU HD12 H 1 0.854 0.01 . 4 . . . . 135 L HD11 . 17328 1 797 . 1 1 158 158 LEU HD13 H 1 0.854 0.01 . 4 . . . . 135 L HD11 . 17328 1 798 . 1 1 158 158 LEU HD21 H 1 0.944 0.01 . 4 . . . . 135 L HD21 . 17328 1 799 . 1 1 158 158 LEU HD22 H 1 0.944 0.01 . 4 . . . . 135 L HD21 . 17328 1 800 . 1 1 158 158 LEU HD23 H 1 0.944 0.01 . 4 . . . . 135 L HD21 . 17328 1 801 . 1 1 158 158 LEU C C 13 178.408 0.2 . 1 . . . . 135 L C . 17328 1 802 . 1 1 158 158 LEU CA C 13 56.154 0.2 . 1 . . . . 135 L CA . 17328 1 803 . 1 1 158 158 LEU CB C 13 41.402 0.2 . 1 . . . . 135 L CB . 17328 1 804 . 1 1 158 158 LEU CD1 C 13 23.405 0.2 . 2 . . . . 135 L CD1 . 17328 1 805 . 1 1 158 158 LEU CD2 C 13 20.717 0.2 . 2 . . . . 135 L CD2 . 17328 1 806 . 1 1 158 158 LEU N N 15 118.395 0.1 . 1 . . . . 135 L N . 17328 1 807 . 1 1 159 159 THR H H 1 7.828 0.01 . 1 . . . . 136 T HN . 17328 1 808 . 1 1 159 159 THR C C 13 175.762 0.2 . 1 . . . . 136 T C . 17328 1 809 . 1 1 159 159 THR CA C 13 62.294 0.2 . 1 . . . . 136 T CA . 17328 1 810 . 1 1 159 159 THR CB C 13 69.909 0.2 . 1 . . . . 136 T CB . 17328 1 811 . 1 1 159 159 THR N N 15 109.939 0.1 . 1 . . . . 136 T N . 17328 1 812 . 1 1 160 160 GLY H H 1 7.800 0.01 . 1 . . . . 137 G HN . 17328 1 813 . 1 1 160 160 GLY C C 13 174.206 0.2 . 1 . . . . 137 G C . 17328 1 814 . 1 1 160 160 GLY CA C 13 45.236 0.2 . 1 . . . . 137 G CA . 17328 1 815 . 1 1 160 160 GLY N N 15 110.668 0.1 . 1 . . . . 137 G N . 17328 1 816 . 1 1 161 161 GLU H H 1 8.224 0.01 . 1 . . . . 138 E HN . 17328 1 817 . 1 1 161 161 GLU C C 13 176.981 0.2 . 1 . . . . 138 E C . 17328 1 818 . 1 1 161 161 GLU CA C 13 56.537 0.2 . 1 . . . . 138 E CA . 17328 1 819 . 1 1 161 161 GLU CB C 13 29.723 0.2 . 1 . . . . 138 E CB . 17328 1 820 . 1 1 161 161 GLU N N 15 120.290 0.1 . 1 . . . . 138 E N . 17328 1 821 . 1 1 162 162 GLY H H 1 8.205 0.01 . 1 . . . . 139 G HN . 17328 1 822 . 1 1 162 162 GLY C C 13 174.441 0.2 . 1 . . . . 139 G C . 17328 1 823 . 1 1 162 162 GLY CA C 13 44.910 0.2 . 1 . . . . 139 G CA . 17328 1 824 . 1 1 162 162 GLY N N 15 109.794 0.1 . 1 . . . . 139 G N . 17328 1 825 . 1 1 164 164 ASP C C 13 176.455 0.2 . 1 . . . . 141 D C . 17328 1 826 . 1 1 164 164 ASP CA C 13 54.535 0.2 . 1 . . . . 141 D CA . 17328 1 827 . 1 1 164 164 ASP CB C 13 40.259 0.2 . 1 . . . . 141 D CB . 17328 1 828 . 1 1 165 165 THR H H 1 7.616 0.01 . 1 . . . . 142 T HN . 17328 1 829 . 1 1 165 165 THR C C 13 174.394 0.2 . 1 . . . . 142 T C . 17328 1 830 . 1 1 165 165 THR CA C 13 61.617 0.2 . 1 . . . . 142 T CA . 17328 1 831 . 1 1 165 165 THR CB C 13 69.108 0.2 . 1 . . . . 142 T CB . 17328 1 832 . 1 1 165 165 THR N N 15 112.563 0.1 . 1 . . . . 142 T N . 17328 1 833 . 1 1 166 166 ARG H H 1 7.935 0.01 . 1 . . . . 143 R HN . 17328 1 834 . 1 1 166 166 ARG C C 13 176.441 0.2 . 1 . . . . 143 R C . 17328 1 835 . 1 1 166 166 ARG CA C 13 55.865 0.2 . 1 . . . . 143 R CA . 17328 1 836 . 1 1 166 166 ARG CB C 13 29.934 0.2 . 1 . . . . 143 R CB . 17328 1 837 . 1 1 166 166 ARG N N 15 123.497 0.1 . 1 . . . . 143 R N . 17328 1 838 . 1 1 167 167 LEU HD11 H 1 0.870 0.01 . 4 . . . . 144 L HD11 . 17328 1 839 . 1 1 167 167 LEU HD12 H 1 0.870 0.01 . 4 . . . . 144 L HD11 . 17328 1 840 . 1 1 167 167 LEU HD13 H 1 0.870 0.01 . 4 . . . . 144 L HD11 . 17328 1 841 . 1 1 167 167 LEU HD21 H 1 0.845 0.01 . 4 . . . . 144 L HD21 . 17328 1 842 . 1 1 167 167 LEU HD22 H 1 0.845 0.01 . 4 . . . . 144 L HD21 . 17328 1 843 . 1 1 167 167 LEU HD23 H 1 0.845 0.01 . 4 . . . . 144 L HD21 . 17328 1 844 . 1 1 167 167 LEU CD1 C 13 23.812 0.2 . 2 . . . . 144 L CD1 . 17328 1 845 . 1 1 167 167 LEU CD2 C 13 21.220 0.2 . 2 . . . . 144 L CD2 . 17328 1 846 . 1 1 172 172 MET C C 13 177.214 0.2 . 1 . . . . 149 M C . 17328 1 847 . 1 1 172 172 MET CA C 13 57.874 0.2 . 1 . . . . 149 M CA . 17328 1 848 . 1 1 172 172 MET CB C 13 31.288 0.2 . 1 . . . . 149 M CB . 17328 1 849 . 1 1 173 173 LYS H H 1 7.769 0.01 . 1 . . . . 150 K HN . 17328 1 850 . 1 1 173 173 LYS C C 13 178.011 0.2 . 1 . . . . 150 K C . 17328 1 851 . 1 1 173 173 LYS CA C 13 59.490 0.2 . 1 . . . . 150 K CA . 17328 1 852 . 1 1 173 173 LYS CB C 13 31.417 0.2 . 1 . . . . 150 K CB . 17328 1 853 . 1 1 173 173 LYS N N 15 119.269 0.1 . 1 . . . . 150 K N . 17328 1 854 . 1 1 174 174 GLN H H 1 7.511 0.01 . 1 . . . . 151 Q HN . 17328 1 855 . 1 1 174 174 GLN C C 13 178.100 0.2 . 1 . . . . 151 Q C . 17328 1 856 . 1 1 174 174 GLN CA C 13 58.317 0.2 . 1 . . . . 151 Q CA . 17328 1 857 . 1 1 174 174 GLN CB C 13 28.184 0.2 . 1 . . . . 151 Q CB . 17328 1 858 . 1 1 174 174 GLN N N 15 116.937 0.1 . 1 . . . . 151 Q N . 17328 1 859 . 1 1 175 175 LEU H H 1 7.781 0.01 . 1 . . . . 152 L HN . 17328 1 860 . 1 1 175 175 LEU HD11 H 1 0.966 0.01 . 4 . . . . 152 L HD11 . 17328 1 861 . 1 1 175 175 LEU HD12 H 1 0.966 0.01 . 4 . . . . 152 L HD11 . 17328 1 862 . 1 1 175 175 LEU HD13 H 1 0.966 0.01 . 4 . . . . 152 L HD11 . 17328 1 863 . 1 1 175 175 LEU HD21 H 1 0.900 0.01 . 4 . . . . 152 L HD21 . 17328 1 864 . 1 1 175 175 LEU HD22 H 1 0.900 0.01 . 4 . . . . 152 L HD21 . 17328 1 865 . 1 1 175 175 LEU HD23 H 1 0.900 0.01 . 4 . . . . 152 L HD21 . 17328 1 866 . 1 1 175 175 LEU C C 13 179.355 0.2 . 1 . . . . 152 L C . 17328 1 867 . 1 1 175 175 LEU CA C 13 58.112 0.2 . 1 . . . . 152 L CA . 17328 1 868 . 1 1 175 175 LEU CB C 13 40.999 0.2 . 1 . . . . 152 L CB . 17328 1 869 . 1 1 175 175 LEU CD1 C 13 22.544 0.2 . 2 . . . . 152 L CD1 . 17328 1 870 . 1 1 175 175 LEU CD2 C 13 22.173 0.2 . 2 . . . . 152 L CD2 . 17328 1 871 . 1 1 175 175 LEU N N 15 120.873 0.1 . 1 . . . . 152 L N . 17328 1 872 . 1 1 176 176 ILE H H 1 8.157 0.01 . 1 . . . . 153 I HN . 17328 1 873 . 1 1 176 176 ILE HD11 H 1 0.723 0.01 . 1 . . . . 153 I HD11 . 17328 1 874 . 1 1 176 176 ILE HD12 H 1 0.723 0.01 . 1 . . . . 153 I HD11 . 17328 1 875 . 1 1 176 176 ILE HD13 H 1 0.723 0.01 . 1 . . . . 153 I HD11 . 17328 1 876 . 1 1 176 176 ILE C C 13 177.845 0.2 . 1 . . . . 153 I C . 17328 1 877 . 1 1 176 176 ILE CA C 13 64.828 0.2 . 1 . . . . 153 I CA . 17328 1 878 . 1 1 176 176 ILE CB C 13 36.905 0.2 . 1 . . . . 153 I CB . 17328 1 879 . 1 1 176 176 ILE CD1 C 13 11.479 0.2 . 1 . . . . 153 I CD1 . 17328 1 880 . 1 1 176 176 ILE N N 15 119.853 0.1 . 1 . . . . 153 I N . 17328 1 881 . 1 1 177 177 ASP H H 1 8.640 0.01 . 1 . . . . 154 D HN . 17328 1 882 . 1 1 177 177 ASP C C 13 179.577 0.2 . 1 . . . . 154 D C . 17328 1 883 . 1 1 177 177 ASP CA C 13 57.441 0.2 . 1 . . . . 154 D CA . 17328 1 884 . 1 1 177 177 ASP CB C 13 38.968 0.2 . 1 . . . . 154 D CB . 17328 1 885 . 1 1 177 177 ASP N N 15 120.290 0.1 . 1 . . . . 154 D N . 17328 1 886 . 1 1 178 178 ASN H H 1 8.096 0.01 . 1 . . . . 155 N HN . 17328 1 887 . 1 1 178 178 ASN C C 13 177.723 0.2 . 1 . . . . 155 N C . 17328 1 888 . 1 1 178 178 ASN CA C 13 55.925 0.2 . 1 . . . . 155 N CA . 17328 1 889 . 1 1 178 178 ASN CB C 13 38.112 0.2 . 1 . . . . 155 N CB . 17328 1 890 . 1 1 178 178 ASN N N 15 119.707 0.1 . 1 . . . . 155 N N . 17328 1 891 . 1 1 179 179 ILE H H 1 8.118 0.01 . 1 . . . . 156 I HN . 17328 1 892 . 1 1 179 179 ILE HD11 H 1 0.823 0.01 . 1 . . . . 156 I HD11 . 17328 1 893 . 1 1 179 179 ILE HD12 H 1 0.823 0.01 . 1 . . . . 156 I HD11 . 17328 1 894 . 1 1 179 179 ILE HD13 H 1 0.823 0.01 . 1 . . . . 156 I HD11 . 17328 1 895 . 1 1 179 179 ILE C C 13 178.995 0.2 . 1 . . . . 156 I C . 17328 1 896 . 1 1 179 179 ILE CA C 13 64.895 0.2 . 1 . . . . 156 I CA . 17328 1 897 . 1 1 179 179 ILE CB C 13 37.458 0.2 . 1 . . . . 156 I CB . 17328 1 898 . 1 1 179 179 ILE CD1 C 13 10.935 0.2 . 1 . . . . 156 I CD1 . 17328 1 899 . 1 1 179 179 ILE N N 15 122.185 0.1 . 1 . . . . 156 I N . 17328 1 900 . 1 1 180 180 LEU H H 1 8.218 0.01 . 1 . . . . 157 L HN . 17328 1 901 . 1 1 180 180 LEU HD11 H 1 0.864 0.01 . 4 . . . . 157 L HD11 . 17328 1 902 . 1 1 180 180 LEU HD12 H 1 0.864 0.01 . 4 . . . . 157 L HD11 . 17328 1 903 . 1 1 180 180 LEU HD13 H 1 0.864 0.01 . 4 . . . . 157 L HD11 . 17328 1 904 . 1 1 180 180 LEU HD21 H 1 0.668 0.01 . 4 . . . . 157 L HD21 . 17328 1 905 . 1 1 180 180 LEU HD22 H 1 0.668 0.01 . 4 . . . . 157 L HD21 . 17328 1 906 . 1 1 180 180 LEU HD23 H 1 0.668 0.01 . 4 . . . . 157 L HD21 . 17328 1 907 . 1 1 180 180 LEU C C 13 179.395 0.2 . 1 . . . . 157 L C . 17328 1 908 . 1 1 180 180 LEU CA C 13 56.857 0.2 . 1 . . . . 157 L CA . 17328 1 909 . 1 1 180 180 LEU CB C 13 40.153 0.2 . 1 . . . . 157 L CB . 17328 1 910 . 1 1 180 180 LEU CD1 C 13 23.994 0.2 . 2 . . . . 157 L CD1 . 17328 1 911 . 1 1 180 180 LEU CD2 C 13 20.683 0.2 . 2 . . . . 157 L CD2 . 17328 1 912 . 1 1 180 180 LEU N N 15 120.144 0.1 . 1 . . . . 157 L N . 17328 1 913 . 1 1 185 185 ILE HD11 H 1 0.731 0.01 . 1 . . . . 162 I HD11 . 17328 1 914 . 1 1 185 185 ILE HD12 H 1 0.731 0.01 . 1 . . . . 162 I HD11 . 17328 1 915 . 1 1 185 185 ILE HD13 H 1 0.731 0.01 . 1 . . . . 162 I HD11 . 17328 1 916 . 1 1 185 185 ILE CD1 C 13 9.475 0.2 . 1 . . . . 162 I CD1 . 17328 1 917 . 1 1 193 193 LEU HD11 H 1 0.389 0.01 . 4 . . . . 170 L HD11 . 17328 1 918 . 1 1 193 193 LEU HD12 H 1 0.389 0.01 . 4 . . . . 170 L HD11 . 17328 1 919 . 1 1 193 193 LEU HD13 H 1 0.389 0.01 . 4 . . . . 170 L HD11 . 17328 1 920 . 1 1 193 193 LEU HD21 H 1 0.521 0.01 . 4 . . . . 170 L HD21 . 17328 1 921 . 1 1 193 193 LEU HD22 H 1 0.521 0.01 . 4 . . . . 170 L HD21 . 17328 1 922 . 1 1 193 193 LEU HD23 H 1 0.521 0.01 . 4 . . . . 170 L HD21 . 17328 1 923 . 1 1 193 193 LEU C C 13 178.439 0.2 . 1 . . . . 170 L C . 17328 1 924 . 1 1 193 193 LEU CA C 13 58.717 0.2 . 1 . . . . 170 L CA . 17328 1 925 . 1 1 193 193 LEU CB C 13 40.123 0.2 . 1 . . . . 170 L CB . 17328 1 926 . 1 1 193 193 LEU CD1 C 13 21.099 0.2 . 2 . . . . 170 L CD1 . 17328 1 927 . 1 1 193 193 LEU CD2 C 13 23.506 0.2 . 2 . . . . 170 L CD2 . 17328 1 928 . 1 1 194 194 SER H H 1 7.716 0.01 . 1 . . . . 171 S HN . 17328 1 929 . 1 1 194 194 SER C C 13 177.947 0.2 . 1 . . . . 171 S C . 17328 1 930 . 1 1 194 194 SER CA C 13 61.018 0.2 . 1 . . . . 171 S CA . 17328 1 931 . 1 1 194 194 SER CB C 13 62.373 0.2 . 1 . . . . 171 S CB . 17328 1 932 . 1 1 194 194 SER N N 15 113.584 0.1 . 1 . . . . 171 S N . 17328 1 933 . 1 1 195 195 GLU H H 1 8.282 0.01 . 1 . . . . 172 E HN . 17328 1 934 . 1 1 195 195 GLU C C 13 178.767 0.2 . 1 . . . . 172 E C . 17328 1 935 . 1 1 195 195 GLU CA C 13 58.878 0.2 . 1 . . . . 172 E CA . 17328 1 936 . 1 1 195 195 GLU CB C 13 27.879 0.2 . 1 . . . . 172 E CB . 17328 1 937 . 1 1 195 195 GLU N N 15 123.351 0.1 . 1 . . . . 172 E N . 17328 1 938 . 1 1 199 199 VAL HG11 H 1 0.833 0.01 . 4 . . . . 176 V HG11 . 17328 1 939 . 1 1 199 199 VAL HG12 H 1 0.833 0.01 . 4 . . . . 176 V HG11 . 17328 1 940 . 1 1 199 199 VAL HG13 H 1 0.833 0.01 . 4 . . . . 176 V HG11 . 17328 1 941 . 1 1 199 199 VAL HG21 H 1 1.166 0.01 . 4 . . . . 176 V HG21 . 17328 1 942 . 1 1 199 199 VAL HG22 H 1 1.166 0.01 . 4 . . . . 176 V HG21 . 17328 1 943 . 1 1 199 199 VAL HG23 H 1 1.166 0.01 . 4 . . . . 176 V HG21 . 17328 1 944 . 1 1 199 199 VAL CG1 C 13 18.736 0.2 . 2 . . . . 176 V CG1 . 17328 1 945 . 1 1 199 199 VAL CG2 C 13 21.400 0.2 . 2 . . . . 176 V CG2 . 17328 1 946 . 1 1 200 200 ILE HD11 H 1 0.448 0.01 . 1 . . . . 177 I HD11 . 17328 1 947 . 1 1 200 200 ILE HD12 H 1 0.448 0.01 . 1 . . . . 177 I HD11 . 17328 1 948 . 1 1 200 200 ILE HD13 H 1 0.448 0.01 . 1 . . . . 177 I HD11 . 17328 1 949 . 1 1 200 200 ILE C C 13 177.699 0.2 . 1 . . . . 177 I C . 17328 1 950 . 1 1 200 200 ILE CA C 13 62.640 0.2 . 1 . . . . 177 I CA . 17328 1 951 . 1 1 200 200 ILE CB C 13 36.283 0.2 . 1 . . . . 177 I CB . 17328 1 952 . 1 1 200 200 ILE CD1 C 13 10.634 0.2 . 1 . . . . 177 I CD1 . 17328 1 953 . 1 1 201 201 SER H H 1 7.393 0.01 . 1 . . . . 178 S HN . 17328 1 954 . 1 1 201 201 SER C C 13 175.361 0.2 . 1 . . . . 178 S C . 17328 1 955 . 1 1 201 201 SER CA C 13 60.245 0.2 . 1 . . . . 178 S CA . 17328 1 956 . 1 1 201 201 SER CB C 13 63.020 0.2 . 1 . . . . 178 S CB . 17328 1 957 . 1 1 201 201 SER N N 15 115.771 0.1 . 1 . . . . 178 S N . 17328 1 958 . 1 1 202 202 ARG H H 1 7.296 0.01 . 1 . . . . 179 R HN . 17328 1 959 . 1 1 202 202 ARG C C 13 176.216 0.2 . 1 . . . . 179 R C . 17328 1 960 . 1 1 202 202 ARG CA C 13 56.056 0.2 . 1 . . . . 179 R CA . 17328 1 961 . 1 1 202 202 ARG CB C 13 29.755 0.2 . 1 . . . . 179 R CB . 17328 1 962 . 1 1 202 202 ARG N N 15 119.707 0.1 . 1 . . . . 179 R N . 17328 1 963 . 1 1 203 203 SER H H 1 7.592 0.01 . 1 . . . . 180 S HN . 17328 1 964 . 1 1 203 203 SER C C 13 172.638 0.2 . 1 . . . . 180 S C . 17328 1 965 . 1 1 203 203 SER CA C 13 55.463 0.2 . 1 . . . . 180 S CA . 17328 1 966 . 1 1 203 203 SER CB C 13 63.269 0.2 . 1 . . . . 180 S CB . 17328 1 967 . 1 1 203 203 SER N N 15 115.187 0.1 . 1 . . . . 180 S N . 17328 1 968 . 1 1 212 212 ILE HD11 H 1 0.692 0.01 . 1 . . . . 189 I HD11 . 17328 1 969 . 1 1 212 212 ILE HD12 H 1 0.692 0.01 . 1 . . . . 189 I HD11 . 17328 1 970 . 1 1 212 212 ILE HD13 H 1 0.692 0.01 . 1 . . . . 189 I HD11 . 17328 1 971 . 1 1 212 212 ILE C C 13 174.664 0.2 . 1 . . . . 189 I C . 17328 1 972 . 1 1 212 212 ILE CA C 13 60.430 0.2 . 1 . . . . 189 I CA . 17328 1 973 . 1 1 212 212 ILE CB C 13 38.351 0.2 . 1 . . . . 189 I CB . 17328 1 974 . 1 1 212 212 ILE CD1 C 13 11.108 0.2 . 1 . . . . 189 I CD1 . 17328 1 975 . 1 1 213 213 VAL H H 1 7.952 0.01 . 1 . . . . 190 V HN . 17328 1 976 . 1 1 213 213 VAL HG11 H 1 0.952 0.01 . 4 . . . . 190 V HG11 . 17328 1 977 . 1 1 213 213 VAL HG12 H 1 0.952 0.01 . 4 . . . . 190 V HG11 . 17328 1 978 . 1 1 213 213 VAL HG13 H 1 0.952 0.01 . 4 . . . . 190 V HG11 . 17328 1 979 . 1 1 213 213 VAL HG21 H 1 0.908 0.01 . 4 . . . . 190 V HG21 . 17328 1 980 . 1 1 213 213 VAL HG22 H 1 0.908 0.01 . 4 . . . . 190 V HG21 . 17328 1 981 . 1 1 213 213 VAL HG23 H 1 0.908 0.01 . 4 . . . . 190 V HG21 . 17328 1 982 . 1 1 213 213 VAL C C 13 174.424 0.2 . 1 . . . . 190 V C . 17328 1 983 . 1 1 213 213 VAL CA C 13 61.071 0.2 . 1 . . . . 190 V CA . 17328 1 984 . 1 1 213 213 VAL CB C 13 32.603 0.2 . 1 . . . . 190 V CB . 17328 1 985 . 1 1 213 213 VAL CG1 C 13 19.542 0.2 . 2 . . . . 190 V CG1 . 17328 1 986 . 1 1 213 213 VAL CG2 C 13 18.771 0.2 . 2 . . . . 190 V CG2 . 17328 1 987 . 1 1 213 213 VAL N N 15 124.372 0.1 . 1 . . . . 190 V N . 17328 1 988 . 1 1 214 214 LEU H H 1 7.771 0.01 . 1 . . . . 191 L HN . 17328 1 989 . 1 1 214 214 LEU HD11 H 1 0.809 0.01 . 4 . . . . 191 L HD11 . 17328 1 990 . 1 1 214 214 LEU HD12 H 1 0.809 0.01 . 4 . . . . 191 L HD11 . 17328 1 991 . 1 1 214 214 LEU HD13 H 1 0.809 0.01 . 4 . . . . 191 L HD11 . 17328 1 992 . 1 1 214 214 LEU HD21 H 1 0.721 0.01 . 4 . . . . 191 L HD21 . 17328 1 993 . 1 1 214 214 LEU HD22 H 1 0.721 0.01 . 4 . . . . 191 L HD21 . 17328 1 994 . 1 1 214 214 LEU HD23 H 1 0.721 0.01 . 4 . . . . 191 L HD21 . 17328 1 995 . 1 1 214 214 LEU CA C 13 55.829 0.2 . 1 . . . . 191 L CA . 17328 1 996 . 1 1 214 214 LEU CB C 13 42.366 0.2 . 1 . . . . 191 L CB . 17328 1 997 . 1 1 214 214 LEU CD1 C 13 23.738 0.2 . 2 . . . . 191 L CD1 . 17328 1 998 . 1 1 214 214 LEU CD2 C 13 20.976 0.2 . 2 . . . . 191 L CD2 . 17328 1 999 . 1 1 214 214 LEU N N 15 130.495 0.1 . 1 . . . . 191 L N . 17328 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 17328 1 1 6 17328 1 1 7 17328 1 1 8 17328 1 1 9 17328 1 1 10 17328 1 2 31 17328 1 2 32 17328 1 2 33 17328 1 2 34 17328 1 2 35 17328 1 2 36 17328 1 3 44 17328 1 3 45 17328 1 3 46 17328 1 3 47 17328 1 3 48 17328 1 3 49 17328 1 4 82 17328 1 4 83 17328 1 4 84 17328 1 4 85 17328 1 4 86 17328 1 4 87 17328 1 5 105 17328 1 5 106 17328 1 5 107 17328 1 5 108 17328 1 5 109 17328 1 5 110 17328 1 6 147 17328 1 6 148 17328 1 6 149 17328 1 6 150 17328 1 6 151 17328 1 6 152 17328 1 7 160 17328 1 7 161 17328 1 7 162 17328 1 7 163 17328 1 7 164 17328 1 7 165 17328 1 8 208 17328 1 8 209 17328 1 8 210 17328 1 8 211 17328 1 8 212 17328 1 8 213 17328 1 9 221 17328 1 9 222 17328 1 9 223 17328 1 9 224 17328 1 9 225 17328 1 9 226 17328 1 10 256 17328 1 10 257 17328 1 10 258 17328 1 10 259 17328 1 10 260 17328 1 10 261 17328 1 11 283 17328 1 11 284 17328 1 11 285 17328 1 11 286 17328 1 11 287 17328 1 11 288 17328 1 12 311 17328 1 12 312 17328 1 12 313 17328 1 12 314 17328 1 12 315 17328 1 12 316 17328 1 13 351 17328 1 13 352 17328 1 13 353 17328 1 13 365 17328 1 13 366 17328 1 13 367 17328 1 14 368 17328 1 14 369 17328 1 14 370 17328 1 14 386 17328 1 14 387 17328 1 14 388 17328 1 15 389 17328 1 15 390 17328 1 15 391 17328 1 15 454 17328 1 15 455 17328 1 15 456 17328 1 16 457 17328 1 16 458 17328 1 16 459 17328 1 16 510 17328 1 16 511 17328 1 16 512 17328 1 17 513 17328 1 17 514 17328 1 17 515 17328 1 17 548 17328 1 17 549 17328 1 17 550 17328 1 18 551 17328 1 18 552 17328 1 18 553 17328 1 18 566 17328 1 18 567 17328 1 18 568 17328 1 19 569 17328 1 19 570 17328 1 19 571 17328 1 19 579 17328 1 19 580 17328 1 19 581 17328 1 20 582 17328 1 20 583 17328 1 20 584 17328 1 20 595 17328 1 20 596 17328 1 20 597 17328 1 21 598 17328 1 21 599 17328 1 21 600 17328 1 21 725 17328 1 21 726 17328 1 21 727 17328 1 22 728 17328 1 22 729 17328 1 22 730 17328 1 22 753 17328 1 22 754 17328 1 22 755 17328 1 23 765 17328 1 23 766 17328 1 23 767 17328 1 23 768 17328 1 23 769 17328 1 23 770 17328 1 24 773 17328 1 24 774 17328 1 24 775 17328 1 24 776 17328 1 24 777 17328 1 24 778 17328 1 25 795 17328 1 25 796 17328 1 25 797 17328 1 25 798 17328 1 25 799 17328 1 25 800 17328 1 26 838 17328 1 26 839 17328 1 26 840 17328 1 26 841 17328 1 26 842 17328 1 26 843 17328 1 27 860 17328 1 27 861 17328 1 27 862 17328 1 27 863 17328 1 27 864 17328 1 27 865 17328 1 28 901 17328 1 28 902 17328 1 28 903 17328 1 28 904 17328 1 28 905 17328 1 28 906 17328 1 29 917 17328 1 29 918 17328 1 29 919 17328 1 29 920 17328 1 29 921 17328 1 29 922 17328 1 30 938 17328 1 30 939 17328 1 30 940 17328 1 30 941 17328 1 30 942 17328 1 30 943 17328 1 31 976 17328 1 31 977 17328 1 31 978 17328 1 31 979 17328 1 31 980 17328 1 31 981 17328 1 32 989 17328 1 32 990 17328 1 32 991 17328 1 32 992 17328 1 32 993 17328 1 32 994 17328 1 stop_ save_