data_18099 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18099 _Entry.Title ; Solution structure of Ca2+-CIB1 in complex with the cytoplasmic domain of the integrin aIIb subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-22 _Entry.Accession_date 2011-11-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'This is the structure of the calcium bound CIB1 (Ca2+-CIB1) in complex with a peptide representing the cytoplasmic domain of the human integrin aIIb subunit. The peptide has a sequence of:Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH.' _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 . . . 18099 2 Hans Vogel . J. . 18099 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' . 18099 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID aIIb . 18099 alphaIIb . 18099 'calcium and integrin binding protein' . 18099 CIB1 . 18099 integrin . 18099 NMR . 18099 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18099 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 591 18099 '15N chemical shifts' 159 18099 '1H chemical shifts' 369 18099 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 . . 2013-02-14 2011-11-22 update BMRB 'update entry citation' 18099 1 . . 2012-02-01 2011-11-22 original author 'original release' 18099 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1XO5 'Crystal structure of calcium bound CIB1' 18099 PDB 2L4H 'The Solution Structure of Calcium Bound CIB1' 18099 PDB 2L4I 'The Solution Structure of Magnesium bound CIB1' 18099 PDB 2LM5 'BMRB Entry Tracking System' 18099 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18099 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22283712 _Citation.Full_citation . _Citation.Title 'Structural basis for the activation of platelet integrin IIb3 by calcium- and integrin-binding protein 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 134 _Citation.Journal_issue 8 _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 3864 _Citation.Page_last 3872 _Citation.Year 2012 _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 . . . 18099 1 2 Hans Vogel . J. . 18099 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18099 _Assembly.ID 1 _Assembly.Name CIB1 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CIB1 1 $CIB1 A . yes native no no . . . 18099 1 2 'CALCIUM ION_1' 2 $CA B . no native no no . . . 18099 1 3 'CALCIUM ION_2' 2 $CA C . no native no no . . . 18099 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CIB1 _Entity.Sf_category entity _Entity.Sf_framecode CIB1 _Entity.Entry_ID 18099 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CIB1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHHHHHSSGHIDDD DKHMGGSGSRLSKELLAEYQ DLTFLTKQEILLAHRRFCEL LPQEQRSVESSLRAQVPFEQ ILSLPELKANPFKERICRVF STSPAKDSLSFEDFLDLLSV FSDTATPDIKSHYAFRIFDF DDDGTLNREDLSRLVNCLTG EGEDTRLSASEMKQLIDNIL EESDIDRDGTINLSEFQHVI SRSPDFASSFKIVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21093.814 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17328 . CIB1 . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 18099 1 2 no BMRB 17329 . CIB1 . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 18099 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 . . . . 18099 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 . . . . 18099 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 . . . . 18099 1 6 no PDB 1Y1A . "Crystal Structure Of Calcium And Integrin Binding Protein" . . . . . 85.51 183 100.00 100.00 5.10e-126 . . . . 18099 1 7 no PDB 2L4H . "The Solution Structure Of Calcium Bound Cib1" . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 18099 1 8 no PDB 2L4I . "The Solution Structure Of Magnesium Bound Cib1" . . . . . 100.00 214 100.00 100.00 2.15e-151 . . . . 18099 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 . . . . 18099 1 10 no DBJ BAA36281 . "KIP [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 18099 1 11 no DBJ BAG70090 . "calcium and integrin binding 1 [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 18099 1 12 no DBJ BAG70220 . "calcium and integrin binding 1 [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 18099 1 13 no DBJ BAG72967 . "calcium and integrin binding 1 [synthetic construct]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 18099 1 14 no EMBL CAG33236 . "CIB1 [Homo sapiens]" . . . . . 89.25 191 99.48 99.48 7.20e-132 . . . . 18099 1 15 no GB AAB39758 . "Snk interacting protein 2-28 [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 18099 1 16 no GB AAB53387 . "DNA-PK interaction protein [Homo sapiens]" . . . . . 89.25 191 99.48 100.00 3.07e-132 . . . . 18099 1 17 no GB AAC51106 . "calcium and integrin binding protein CIB [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 18099 1 18 no GB AAH00846 . "Calcium and integrin binding 1 (calmyrin) [Homo sapiens]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 18099 1 19 no GB ABM82122 . "calcium and integrin binding 1 (calmyrin) [synthetic construct]" . . . . . 89.25 191 100.00 100.00 1.02e-132 . . . . 18099 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 . . . . 18099 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 . . . . 18099 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 . . . . 18099 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 . . . . 18099 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 . . . . 18099 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 . . . . 18099 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 . 18099 1 2 -21 GLY . 18099 1 3 -20 HIS . 18099 1 4 -19 HIS . 18099 1 5 -18 HIS . 18099 1 6 -17 HIS . 18099 1 7 -16 HIS . 18099 1 8 -15 HIS . 18099 1 9 -14 HIS . 18099 1 10 -13 HIS . 18099 1 11 -12 HIS . 18099 1 12 -11 HIS . 18099 1 13 -10 SER . 18099 1 14 -9 SER . 18099 1 15 -8 GLY . 18099 1 16 -7 HIS . 18099 1 17 -6 ILE . 18099 1 18 -5 ASP . 18099 1 19 -4 ASP . 18099 1 20 -3 ASP . 18099 1 21 -2 ASP . 18099 1 22 -1 LYS . 18099 1 23 0 HIS . 18099 1 24 1 MET . 18099 1 25 2 GLY . 18099 1 26 3 GLY . 18099 1 27 4 SER . 18099 1 28 5 GLY . 18099 1 29 6 SER . 18099 1 30 7 ARG . 18099 1 31 8 LEU . 18099 1 32 9 SER . 18099 1 33 10 LYS . 18099 1 34 11 GLU . 18099 1 35 12 LEU . 18099 1 36 13 LEU . 18099 1 37 14 ALA . 18099 1 38 15 GLU . 18099 1 39 16 TYR . 18099 1 40 17 GLN . 18099 1 41 18 ASP . 18099 1 42 19 LEU . 18099 1 43 20 THR . 18099 1 44 21 PHE . 18099 1 45 22 LEU . 18099 1 46 23 THR . 18099 1 47 24 LYS . 18099 1 48 25 GLN . 18099 1 49 26 GLU . 18099 1 50 27 ILE . 18099 1 51 28 LEU . 18099 1 52 29 LEU . 18099 1 53 30 ALA . 18099 1 54 31 HIS . 18099 1 55 32 ARG . 18099 1 56 33 ARG . 18099 1 57 34 PHE . 18099 1 58 35 CYS . 18099 1 59 36 GLU . 18099 1 60 37 LEU . 18099 1 61 38 LEU . 18099 1 62 39 PRO . 18099 1 63 40 GLN . 18099 1 64 41 GLU . 18099 1 65 42 GLN . 18099 1 66 43 ARG . 18099 1 67 44 SER . 18099 1 68 45 VAL . 18099 1 69 46 GLU . 18099 1 70 47 SER . 18099 1 71 48 SER . 18099 1 72 49 LEU . 18099 1 73 50 ARG . 18099 1 74 51 ALA . 18099 1 75 52 GLN . 18099 1 76 53 VAL . 18099 1 77 54 PRO . 18099 1 78 55 PHE . 18099 1 79 56 GLU . 18099 1 80 57 GLN . 18099 1 81 58 ILE . 18099 1 82 59 LEU . 18099 1 83 60 SER . 18099 1 84 61 LEU . 18099 1 85 62 PRO . 18099 1 86 63 GLU . 18099 1 87 64 LEU . 18099 1 88 65 LYS . 18099 1 89 66 ALA . 18099 1 90 67 ASN . 18099 1 91 68 PRO . 18099 1 92 69 PHE . 18099 1 93 70 LYS . 18099 1 94 71 GLU . 18099 1 95 72 ARG . 18099 1 96 73 ILE . 18099 1 97 74 CYS . 18099 1 98 75 ARG . 18099 1 99 76 VAL . 18099 1 100 77 PHE . 18099 1 101 78 SER . 18099 1 102 79 THR . 18099 1 103 80 SER . 18099 1 104 81 PRO . 18099 1 105 82 ALA . 18099 1 106 83 LYS . 18099 1 107 84 ASP . 18099 1 108 85 SER . 18099 1 109 86 LEU . 18099 1 110 87 SER . 18099 1 111 88 PHE . 18099 1 112 89 GLU . 18099 1 113 90 ASP . 18099 1 114 91 PHE . 18099 1 115 92 LEU . 18099 1 116 93 ASP . 18099 1 117 94 LEU . 18099 1 118 95 LEU . 18099 1 119 96 SER . 18099 1 120 97 VAL . 18099 1 121 98 PHE . 18099 1 122 99 SER . 18099 1 123 100 ASP . 18099 1 124 101 THR . 18099 1 125 102 ALA . 18099 1 126 103 THR . 18099 1 127 104 PRO . 18099 1 128 105 ASP . 18099 1 129 106 ILE . 18099 1 130 107 LYS . 18099 1 131 108 SER . 18099 1 132 109 HIS . 18099 1 133 110 TYR . 18099 1 134 111 ALA . 18099 1 135 112 PHE . 18099 1 136 113 ARG . 18099 1 137 114 ILE . 18099 1 138 115 PHE . 18099 1 139 116 ASP . 18099 1 140 117 PHE . 18099 1 141 118 ASP . 18099 1 142 119 ASP . 18099 1 143 120 ASP . 18099 1 144 121 GLY . 18099 1 145 122 THR . 18099 1 146 123 LEU . 18099 1 147 124 ASN . 18099 1 148 125 ARG . 18099 1 149 126 GLU . 18099 1 150 127 ASP . 18099 1 151 128 LEU . 18099 1 152 129 SER . 18099 1 153 130 ARG . 18099 1 154 131 LEU . 18099 1 155 132 VAL . 18099 1 156 133 ASN . 18099 1 157 134 CYS . 18099 1 158 135 LEU . 18099 1 159 136 THR . 18099 1 160 137 GLY . 18099 1 161 138 GLU . 18099 1 162 139 GLY . 18099 1 163 140 GLU . 18099 1 164 141 ASP . 18099 1 165 142 THR . 18099 1 166 143 ARG . 18099 1 167 144 LEU . 18099 1 168 145 SER . 18099 1 169 146 ALA . 18099 1 170 147 SER . 18099 1 171 148 GLU . 18099 1 172 149 MET . 18099 1 173 150 LYS . 18099 1 174 151 GLN . 18099 1 175 152 LEU . 18099 1 176 153 ILE . 18099 1 177 154 ASP . 18099 1 178 155 ASN . 18099 1 179 156 ILE . 18099 1 180 157 LEU . 18099 1 181 158 GLU . 18099 1 182 159 GLU . 18099 1 183 160 SER . 18099 1 184 161 ASP . 18099 1 185 162 ILE . 18099 1 186 163 ASP . 18099 1 187 164 ARG . 18099 1 188 165 ASP . 18099 1 189 166 GLY . 18099 1 190 167 THR . 18099 1 191 168 ILE . 18099 1 192 169 ASN . 18099 1 193 170 LEU . 18099 1 194 171 SER . 18099 1 195 172 GLU . 18099 1 196 173 PHE . 18099 1 197 174 GLN . 18099 1 198 175 HIS . 18099 1 199 176 VAL . 18099 1 200 177 ILE . 18099 1 201 178 SER . 18099 1 202 179 ARG . 18099 1 203 180 SER . 18099 1 204 181 PRO . 18099 1 205 182 ASP . 18099 1 206 183 PHE . 18099 1 207 184 ALA . 18099 1 208 185 SER . 18099 1 209 186 SER . 18099 1 210 187 PHE . 18099 1 211 188 LYS . 18099 1 212 189 ILE . 18099 1 213 190 VAL . 18099 1 214 191 LEU . 18099 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 18099 1 . GLY 2 2 18099 1 . HIS 3 3 18099 1 . HIS 4 4 18099 1 . HIS 5 5 18099 1 . HIS 6 6 18099 1 . HIS 7 7 18099 1 . HIS 8 8 18099 1 . HIS 9 9 18099 1 . HIS 10 10 18099 1 . HIS 11 11 18099 1 . HIS 12 12 18099 1 . SER 13 13 18099 1 . SER 14 14 18099 1 . GLY 15 15 18099 1 . HIS 16 16 18099 1 . ILE 17 17 18099 1 . ASP 18 18 18099 1 . ASP 19 19 18099 1 . ASP 20 20 18099 1 . ASP 21 21 18099 1 . LYS 22 22 18099 1 . HIS 23 23 18099 1 . MET 24 24 18099 1 . GLY 25 25 18099 1 . GLY 26 26 18099 1 . SER 27 27 18099 1 . GLY 28 28 18099 1 . SER 29 29 18099 1 . ARG 30 30 18099 1 . LEU 31 31 18099 1 . SER 32 32 18099 1 . LYS 33 33 18099 1 . GLU 34 34 18099 1 . LEU 35 35 18099 1 . LEU 36 36 18099 1 . ALA 37 37 18099 1 . GLU 38 38 18099 1 . TYR 39 39 18099 1 . GLN 40 40 18099 1 . ASP 41 41 18099 1 . LEU 42 42 18099 1 . THR 43 43 18099 1 . PHE 44 44 18099 1 . LEU 45 45 18099 1 . THR 46 46 18099 1 . LYS 47 47 18099 1 . GLN 48 48 18099 1 . GLU 49 49 18099 1 . ILE 50 50 18099 1 . LEU 51 51 18099 1 . LEU 52 52 18099 1 . ALA 53 53 18099 1 . HIS 54 54 18099 1 . ARG 55 55 18099 1 . ARG 56 56 18099 1 . PHE 57 57 18099 1 . CYS 58 58 18099 1 . GLU 59 59 18099 1 . LEU 60 60 18099 1 . LEU 61 61 18099 1 . PRO 62 62 18099 1 . GLN 63 63 18099 1 . GLU 64 64 18099 1 . GLN 65 65 18099 1 . ARG 66 66 18099 1 . SER 67 67 18099 1 . VAL 68 68 18099 1 . GLU 69 69 18099 1 . SER 70 70 18099 1 . SER 71 71 18099 1 . LEU 72 72 18099 1 . ARG 73 73 18099 1 . ALA 74 74 18099 1 . GLN 75 75 18099 1 . VAL 76 76 18099 1 . PRO 77 77 18099 1 . PHE 78 78 18099 1 . GLU 79 79 18099 1 . GLN 80 80 18099 1 . ILE 81 81 18099 1 . LEU 82 82 18099 1 . SER 83 83 18099 1 . LEU 84 84 18099 1 . PRO 85 85 18099 1 . GLU 86 86 18099 1 . LEU 87 87 18099 1 . LYS 88 88 18099 1 . ALA 89 89 18099 1 . ASN 90 90 18099 1 . PRO 91 91 18099 1 . PHE 92 92 18099 1 . LYS 93 93 18099 1 . GLU 94 94 18099 1 . ARG 95 95 18099 1 . ILE 96 96 18099 1 . CYS 97 97 18099 1 . ARG 98 98 18099 1 . VAL 99 99 18099 1 . PHE 100 100 18099 1 . SER 101 101 18099 1 . THR 102 102 18099 1 . SER 103 103 18099 1 . PRO 104 104 18099 1 . ALA 105 105 18099 1 . LYS 106 106 18099 1 . ASP 107 107 18099 1 . SER 108 108 18099 1 . LEU 109 109 18099 1 . SER 110 110 18099 1 . PHE 111 111 18099 1 . GLU 112 112 18099 1 . ASP 113 113 18099 1 . PHE 114 114 18099 1 . LEU 115 115 18099 1 . ASP 116 116 18099 1 . LEU 117 117 18099 1 . LEU 118 118 18099 1 . SER 119 119 18099 1 . VAL 120 120 18099 1 . PHE 121 121 18099 1 . SER 122 122 18099 1 . ASP 123 123 18099 1 . THR 124 124 18099 1 . ALA 125 125 18099 1 . THR 126 126 18099 1 . PRO 127 127 18099 1 . ASP 128 128 18099 1 . ILE 129 129 18099 1 . LYS 130 130 18099 1 . SER 131 131 18099 1 . HIS 132 132 18099 1 . TYR 133 133 18099 1 . ALA 134 134 18099 1 . PHE 135 135 18099 1 . ARG 136 136 18099 1 . ILE 137 137 18099 1 . PHE 138 138 18099 1 . ASP 139 139 18099 1 . PHE 140 140 18099 1 . ASP 141 141 18099 1 . ASP 142 142 18099 1 . ASP 143 143 18099 1 . GLY 144 144 18099 1 . THR 145 145 18099 1 . LEU 146 146 18099 1 . ASN 147 147 18099 1 . ARG 148 148 18099 1 . GLU 149 149 18099 1 . ASP 150 150 18099 1 . LEU 151 151 18099 1 . SER 152 152 18099 1 . ARG 153 153 18099 1 . LEU 154 154 18099 1 . VAL 155 155 18099 1 . ASN 156 156 18099 1 . CYS 157 157 18099 1 . LEU 158 158 18099 1 . THR 159 159 18099 1 . GLY 160 160 18099 1 . GLU 161 161 18099 1 . GLY 162 162 18099 1 . GLU 163 163 18099 1 . ASP 164 164 18099 1 . THR 165 165 18099 1 . ARG 166 166 18099 1 . LEU 167 167 18099 1 . SER 168 168 18099 1 . ALA 169 169 18099 1 . SER 170 170 18099 1 . GLU 171 171 18099 1 . MET 172 172 18099 1 . LYS 173 173 18099 1 . GLN 174 174 18099 1 . LEU 175 175 18099 1 . ILE 176 176 18099 1 . ASP 177 177 18099 1 . ASN 178 178 18099 1 . ILE 179 179 18099 1 . LEU 180 180 18099 1 . GLU 181 181 18099 1 . GLU 182 182 18099 1 . SER 183 183 18099 1 . ASP 184 184 18099 1 . ILE 185 185 18099 1 . ASP 186 186 18099 1 . ARG 187 187 18099 1 . ASP 188 188 18099 1 . GLY 189 189 18099 1 . THR 190 190 18099 1 . ILE 191 191 18099 1 . ASN 192 192 18099 1 . LEU 193 193 18099 1 . SER 194 194 18099 1 . GLU 195 195 18099 1 . PHE 196 196 18099 1 . GLN 197 197 18099 1 . HIS 198 198 18099 1 . VAL 199 199 18099 1 . ILE 200 200 18099 1 . SER 201 201 18099 1 . ARG 202 202 18099 1 . SER 203 203 18099 1 . PRO 204 204 18099 1 . ASP 205 205 18099 1 . PHE 206 206 18099 1 . ALA 207 207 18099 1 . SER 208 208 18099 1 . SER 209 209 18099 1 . PHE 210 210 18099 1 . LYS 211 211 18099 1 . ILE 212 212 18099 1 . VAL 213 213 18099 1 . LEU 214 214 18099 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 18099 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 18099 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 18099 _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 . . . . . . . . . . . . . . . . . . . . . 18099 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 18099 _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 . . . . . . . . . . . . . . . . pET-19b . . . . . . 18099 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18099 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag 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 CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Dec 8 16:53:32 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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18099 CA [Ca++] SMILES CACTVS 3.341 18099 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18099 CA [Ca+2] SMILES ACDLabs 10.04 18099 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18099 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18099 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18099 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18099 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18099 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18099 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_backboneAssignment _Sample.Sf_category sample _Sample.Sf_framecode backboneAssignment _Sample.Entry_ID 18099 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' _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 . . . . 18099 1 2 DTT [U-2H] . . . . . . 5 . . mM . . . . 18099 1 3 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 2 . . mM . . . . 18099 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18099 1 5 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18099 1 6 'aIIb peptide' 'natural abundance' . . . . . . 0.6 . . mM . . . . 18099 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18099 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18099 1 stop_ save_ save_MethylAssignment _Sample.Sf_category sample _Sample.Sf_framecode MethylAssignment _Sample.Entry_ID 18099 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CIB1 '[U-13C; U-2H], I/L/V methyl [1H,13C]' . . 1 $CIB1 . . 0.5 . . mM . . . . 18099 2 2 DTT [U-2H] . . . . . . 5 . . mM . . . . 18099 2 3 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 2 . . mM . . . . 18099 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18099 2 5 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18099 2 6 'aIIb peptide' 'natural abundance' . . . . . . 0.6 . . mM . . . . 18099 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18099 2 stop_ save_ save_MethylSteroAssignment _Sample.Sf_category sample _Sample.Sf_framecode MethylSteroAssignment _Sample.Entry_ID 18099 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CIB1 '[U-10% 13C]' . . 1 $CIB1 . . 0.5 . . mM . . . . 18099 3 2 DTT [U-2H] . . . . . . 5 . . mM . . . . 18099 3 3 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 2 . . mM . . . . 18099 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18099 3 5 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18099 3 6 'aIIb peptide' 'natural abundance' . . . . . . 0.6 . . mM . . . . 18099 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18099 3 stop_ save_ save_methylCrossSat _Sample.Sf_category sample _Sample.Sf_framecode methylCrossSat _Sample.Entry_ID 18099 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CIB1 '[U-2H], I/L/V methyl [1H,13C]' . . 1 $CIB1 . . 0.5 . . mM . . . . 18099 4 2 DTT [U-2H] . . . . . . 5 . . mM . . . . 18099 4 3 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 2 . . mM . . . . 18099 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18099 4 5 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18099 4 6 'aIIb peptide' 'natural abundance' . . . . . . 0.6 . . mM . . . . 18099 4 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18099 4 stop_ save_ save_backboneRDC_pf1 _Sample.Sf_category sample _Sample.Sf_framecode backboneRDC_pf1 _Sample.Entry_ID 18099 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' _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 . . . . 18099 5 2 DTT [U-2H] . . . . . . 5 . . mM . . . . 18099 5 3 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 2 . . mM . . . . 18099 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18099 5 5 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18099 5 6 'aIIb peptide' 'natural abundance' . . . . . . 0.6 . . mM . . . . 18099 5 7 'pf1 phage' 'natural abundance' . . . . . . 14 . . mg/mL . . . . 18099 5 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18099 5 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18099 5 stop_ save_ save_backboneRDC_PEG _Sample.Sf_category sample _Sample.Sf_framecode backboneRDC_PEG _Sample.Entry_ID 18099 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' _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 . . . . 18099 6 2 DTT [U-2H] . . . . . . 5 . . mM . . . . 18099 6 3 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 2 . . mM . . . . 18099 6 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18099 6 5 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18099 6 6 'aIIb peptide' 'natural abundance' . . . . . . 0.6 . . mM . . . . 18099 6 7 'C12E5/glycerol (0.96/1)' 'natural abundance' . . . . . . 5 . . % . . . . 18099 6 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18099 6 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18099 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18099 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 18099 1 pH 7.5 0.1 pH 18099 1 pressure 1 . atm 18099 1 temperature 310 . K 18099 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18099 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18099 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18099 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18099 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18099 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18099 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18099 _Software.ID 3 _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' . . 18099 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18099 3 'data analysis' 18099 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18099 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18099 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18099 4 'structure solution' 18099 4 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 18099 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18099 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18099 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18099 _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 . . . 18099 1 2 spectrometer_2 Bruker Avance . 600 . . . 18099 1 3 spectrometer_3 Bruker Avance . 500 . . . 18099 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 18099 _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 '3D HNCACB' no . . . . . . . . . . 1 $backboneAssignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18099 1 2 '3D HNCO' no . . . . . . . . . . 1 $backboneAssignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18099 1 3 '3D HCACO' no . . . . . . . . . . 1 $backboneAssignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18099 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $backboneAssignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18099 1 5 '3D HNCO type RDC' no . . . . . . . . . . 5 $backboneRDC_pf1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18099 1 6 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 5 $backboneRDC_pf1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18099 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $MethylAssignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18099 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $MethylSteroAssignment isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18099 1 9 '3D HNCO type RDC' no . . . . . . . . . . 6 $backboneRDC_PEG anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18099 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 18099 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18099 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18099 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18099 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 18099 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 18099 1 2 '3D HNCO' . . . 18099 1 3 '3D HCACO' . . . 18099 1 4 '3D HN(COCA)CB' . . . 18099 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 13 175.8941 0.2 . 1 . . . . 7 ARG C . 18099 1 2 . 1 1 30 30 ARG CA C 13 55.0077 0.2 . 1 . . . . 7 ARG CA . 18099 1 3 . 1 1 30 30 ARG CB C 13 31.2044 0.2 . 1 . . . . 7 ARG CB . 18099 1 4 . 1 1 31 31 LEU H H 1 7.8985 0.01 . 1 . . . A 8 LEU HN . 18099 1 5 . 1 1 31 31 LEU HD11 H 1 0.6397 0.01 . 2 . . . A 8 LEU HD11 . 18099 1 6 . 1 1 31 31 LEU HD12 H 1 0.6397 0.01 . 2 . . . A 8 LEU HD12 . 18099 1 7 . 1 1 31 31 LEU HD13 H 1 0.6397 0.01 . 2 . . . A 8 LEU HD13 . 18099 1 8 . 1 1 31 31 LEU HD21 H 1 0.4445 0.01 . 2 . . . A 8 LEU HD21 . 18099 1 9 . 1 1 31 31 LEU HD22 H 1 0.4445 0.01 . 2 . . . A 8 LEU HD22 . 18099 1 10 . 1 1 31 31 LEU HD23 H 1 0.4445 0.01 . 2 . . . A 8 LEU HD23 . 18099 1 11 . 1 1 31 31 LEU C C 13 176.2041 0.2 . 1 . . . A 8 LEU C . 18099 1 12 . 1 1 31 31 LEU CA C 13 55.0657 0.2 . 1 . . . A 8 LEU CA . 18099 1 13 . 1 1 31 31 LEU CB C 13 41.7205 0.2 . 1 . . . A 8 LEU CB . 18099 1 14 . 1 1 31 31 LEU CD1 C 13 25.4209 0.2 . 2 . . . A 8 LEU CD1 . 18099 1 15 . 1 1 31 31 LEU CD2 C 13 22.9841 0.2 . 2 . . . A 8 LEU CD2 . 18099 1 16 . 1 1 31 31 LEU N N 15 121.7177 0.1 . 1 . . . A 8 LEU N . 18099 1 17 . 1 1 32 32 SER H H 1 7.6898 0.01 . 1 . . . A 9 SER H . 18099 1 18 . 1 1 32 32 SER C C 13 174.6365 0.2 . 1 . . . A 9 SER C . 18099 1 19 . 1 1 32 32 SER CA C 13 57.0778 0.2 . 1 . . . A 9 SER CA . 18099 1 20 . 1 1 32 32 SER CB C 13 64.5132 0.2 . 1 . . . A 9 SER CB . 18099 1 21 . 1 1 32 32 SER N N 15 117.0526 0.1 . 1 . . . A 9 SER N . 18099 1 22 . 1 1 33 33 LYS C C 13 178.9676 0.2 . 1 . . . A 10 LYS C . 18099 1 23 . 1 1 33 33 LYS CA C 13 59.0511 0.2 . 1 . . . A 10 LYS CA . 18099 1 24 . 1 1 33 33 LYS CB C 13 31.3375 0.2 . 1 . . . A 10 LYS CB . 18099 1 25 . 1 1 34 34 GLU H H 1 8.7195 0.01 . 1 . . . A 11 GLU H . 18099 1 26 . 1 1 34 34 GLU C C 13 178.9676 0.2 . 1 . . . A 11 GLU C . 18099 1 27 . 1 1 34 34 GLU CA C 13 59.6070 0.2 . 1 . . . A 11 GLU CA . 18099 1 28 . 1 1 34 34 GLU CB C 13 27.9671 0.2 . 1 . . . A 11 GLU CB . 18099 1 29 . 1 1 34 34 GLU N N 15 120.1141 0.1 . 1 . . . A 11 GLU N . 18099 1 30 . 1 1 35 35 LEU H H 1 7.6132 0.01 . 1 . . . A 12 LEU H . 18099 1 31 . 1 1 35 35 LEU HD11 H 1 0.8182 0.01 . 2 . . . A 12 LEU HD11 . 18099 1 32 . 1 1 35 35 LEU HD12 H 1 0.8182 0.01 . 2 . . . A 12 LEU HD12 . 18099 1 33 . 1 1 35 35 LEU HD13 H 1 0.8182 0.01 . 2 . . . A 12 LEU HD13 . 18099 1 34 . 1 1 35 35 LEU HD21 H 1 0.8285 0.01 . 2 . . . A 12 LEU HD21 . 18099 1 35 . 1 1 35 35 LEU HD22 H 1 0.8285 0.01 . 2 . . . A 12 LEU HD22 . 18099 1 36 . 1 1 35 35 LEU HD23 H 1 0.8285 0.01 . 2 . . . A 12 LEU HD23 . 18099 1 37 . 1 1 35 35 LEU C C 13 178.7487 0.2 . 1 . . . A 12 LEU C . 18099 1 38 . 1 1 35 35 LEU CA C 13 57.0248 0.2 . 1 . . . A 12 LEU CA . 18099 1 39 . 1 1 35 35 LEU CB C 13 41.1137 0.2 . 1 . . . A 12 LEU CB . 18099 1 40 . 1 1 35 35 LEU CD1 C 13 24.9182 0.2 . 2 . . . A 12 LEU CD1 . 18099 1 41 . 1 1 35 35 LEU CD2 C 13 23.7725 0.2 . 2 . . . A 12 LEU CD2 . 18099 1 42 . 1 1 35 35 LEU N N 15 122.7382 0.1 . 1 . . . A 12 LEU N . 18099 1 43 . 1 1 36 36 LEU H H 1 8.2516 0.01 . 1 . . . A 13 LEU H . 18099 1 44 . 1 1 36 36 LEU C C 13 178.7885 0.2 . 1 . . . A 13 LEU C . 18099 1 45 . 1 1 36 36 LEU CA C 13 57.6703 0.2 . 1 . . . A 13 LEU CA . 18099 1 46 . 1 1 36 36 LEU CB C 13 41.0489 0.2 . 1 . . . A 13 LEU CB . 18099 1 47 . 1 1 36 36 LEU N N 15 118.5105 0.1 . 1 . . . A 13 LEU N . 18099 1 48 . 1 1 37 37 ALA H H 1 7.6643 0.01 . 1 . . . A 14 ALA H . 18099 1 49 . 1 1 37 37 ALA C C 13 180.0225 0.2 . 1 . . . A 14 ALA C . 18099 1 50 . 1 1 37 37 ALA CA C 13 54.5418 0.2 . 1 . . . A 14 ALA CA . 18099 1 51 . 1 1 37 37 ALA CB C 13 17.4304 0.2 . 1 . . . A 14 ALA CB . 18099 1 52 . 1 1 37 37 ALA N N 15 119.9683 0.1 . 1 . . . A 14 ALA N . 18099 1 53 . 1 1 38 38 GLU H H 1 7.5012 0.01 . 1 . . . A 15 GLU H . 18099 1 54 . 1 1 38 38 GLU C C 13 179.3259 0.2 . 1 . . . A 15 GLU C . 18099 1 55 . 1 1 38 38 GLU CA C 13 58.6386 0.2 . 1 . . . A 15 GLU CA . 18099 1 56 . 1 1 38 38 GLU CB C 13 28.4427 0.2 . 1 . . . A 15 GLU CB . 18099 1 57 . 1 1 38 38 GLU N N 15 119.2394 0.1 . 1 . . . A 15 GLU N . 18099 1 58 . 1 1 39 39 TYR H H 1 8.1563 0.01 . 1 . . . A 16 TYR H . 18099 1 59 . 1 1 39 39 TYR C C 13 178.8682 0.2 . 1 . . . A 16 TYR C . 18099 1 60 . 1 1 39 39 TYR CA C 13 60.0374 0.2 . 1 . . . A 16 TYR CA . 18099 1 61 . 1 1 39 39 TYR CB C 13 37.3525 0.2 . 1 . . . A 16 TYR CB . 18099 1 62 . 1 1 39 39 TYR N N 15 117.0526 0.1 . 1 . . . A 16 TYR N . 18099 1 63 . 1 1 40 40 GLN H H 1 8.2872 0.01 . 1 . . . A 17 GLN H . 18099 1 64 . 1 1 40 40 GLN C C 13 176.9376 0.2 . 1 . . . A 17 GLN C . 18099 1 65 . 1 1 40 40 GLN CA C 13 58.5310 0.2 . 1 . . . A 17 GLN CA . 18099 1 66 . 1 1 40 40 GLN CB C 13 28.5125 0.2 . 1 . . . A 17 GLN CB . 18099 1 67 . 1 1 40 40 GLN N N 15 121.7177 0.1 . 1 . . . A 17 GLN N . 18099 1 68 . 1 1 41 41 ASP H H 1 7.4483 0.01 . 1 . . . A 18 ASP H . 18099 1 69 . 1 1 41 41 ASP C C 13 177.3356 0.2 . 1 . . . A 18 ASP C . 18099 1 70 . 1 1 41 41 ASP CA C 13 55.5935 0.2 . 1 . . . A 18 ASP CA . 18099 1 71 . 1 1 41 41 ASP CB C 13 40.5630 0.2 . 1 . . . A 18 ASP CB . 18099 1 72 . 1 1 41 41 ASP N N 15 117.6358 0.1 . 1 . . . A 18 ASP N . 18099 1 73 . 1 1 42 42 LEU H H 1 7.4438 0.01 . 1 . . . A 19 LEU H . 18099 1 74 . 1 1 42 42 LEU HD11 H 1 0.8828 0.01 . 2 . . . A 19 LEU HD11 . 18099 1 75 . 1 1 42 42 LEU HD12 H 1 0.8828 0.01 . 2 . . . A 19 LEU HD12 . 18099 1 76 . 1 1 42 42 LEU HD13 H 1 0.8828 0.01 . 2 . . . A 19 LEU HD13 . 18099 1 77 . 1 1 42 42 LEU HD21 H 1 0.8584 0.01 . 2 . . . A 19 LEU HD21 . 18099 1 78 . 1 1 42 42 LEU HD22 H 1 0.8584 0.01 . 2 . . . A 19 LEU HD22 . 18099 1 79 . 1 1 42 42 LEU HD23 H 1 0.8584 0.01 . 2 . . . A 19 LEU HD23 . 18099 1 80 . 1 1 42 42 LEU C C 13 176.9376 0.2 . 1 . . . A 19 LEU C . 18099 1 81 . 1 1 42 42 LEU CA C 13 55.5385 0.2 . 1 . . . A 19 LEU CA . 18099 1 82 . 1 1 42 42 LEU CB C 13 42.9300 0.2 . 1 . . . A 19 LEU CB . 18099 1 83 . 1 1 42 42 LEU CD1 C 13 24.9774 0.2 . 2 . . . A 19 LEU CD1 . 18099 1 84 . 1 1 42 42 LEU CD2 C 13 22.7293 0.2 . 2 . . . A 19 LEU CD2 . 18099 1 85 . 1 1 42 42 LEU N N 15 117.7816 0.1 . 1 . . . A 19 LEU N . 18099 1 86 . 1 1 43 43 THR H H 1 7.3485 0.01 . 1 . . . A 20 THR H . 18099 1 87 . 1 1 43 43 THR C C 13 173.0964 0.2 . 1 . . . A 20 THR C . 18099 1 88 . 1 1 43 43 THR CA C 13 60.1450 0.2 . 1 . . . A 20 THR CA . 18099 1 89 . 1 1 43 43 THR CB C 13 71.4606 0.2 . 1 . . . A 20 THR CB . 18099 1 90 . 1 1 43 43 THR N N 15 109.7635 0.1 . 1 . . . A 20 THR N . 18099 1 91 . 1 1 44 44 PHE H H 1 7.6855 0.01 . 1 . . . A 21 PHE H . 18099 1 92 . 1 1 44 44 PHE C C 13 175.4648 0.2 . 1 . . . A 21 PHE C . 18099 1 93 . 1 1 44 44 PHE CA C 13 56.8096 0.2 . 1 . . . A 21 PHE CA . 18099 1 94 . 1 1 44 44 PHE CB C 13 37.3053 0.2 . 1 . . . A 21 PHE CB . 18099 1 95 . 1 1 44 44 PHE N N 15 117.4900 0.1 . 1 . . . A 21 PHE N . 18099 1 96 . 1 1 45 45 LEU H H 1 7.3496 0.01 . 1 . . . A 22 LEU H . 18099 1 97 . 1 1 45 45 LEU HD11 H 1 0.6699 0.01 . 2 . . . A 22 LEU HD11 . 18099 1 98 . 1 1 45 45 LEU HD12 H 1 0.6699 0.01 . 2 . . . A 22 LEU HD12 . 18099 1 99 . 1 1 45 45 LEU HD13 H 1 0.6699 0.01 . 2 . . . A 22 LEU HD13 . 18099 1 100 . 1 1 45 45 LEU HD21 H 1 0.7247 0.01 . 2 . . . A 22 LEU HD21 . 18099 1 101 . 1 1 45 45 LEU HD22 H 1 0.7247 0.01 . 2 . . . A 22 LEU HD22 . 18099 1 102 . 1 1 45 45 LEU HD23 H 1 0.7247 0.01 . 2 . . . A 22 LEU HD23 . 18099 1 103 . 1 1 45 45 LEU C C 13 177.0172 0.2 . 1 . . . A 22 LEU C . 18099 1 104 . 1 1 45 45 LEU CA C 13 54.0121 0.2 . 1 . . . A 22 LEU CA . 18099 1 105 . 1 1 45 45 LEU CB C 13 43.1568 0.2 . 1 . . . A 22 LEU CB . 18099 1 106 . 1 1 45 45 LEU CD1 C 13 25.9297 0.2 . 2 . . . A 22 LEU CD1 . 18099 1 107 . 1 1 45 45 LEU CD2 C 13 22.2362 0.2 . 2 . . . A 22 LEU CD2 . 18099 1 108 . 1 1 45 45 LEU N N 15 120.2599 0.1 . 1 . . . A 22 LEU N . 18099 1 109 . 1 1 46 46 THR H H 1 8.6663 0.01 . 1 . . . A 23 THR H . 18099 1 110 . 1 1 46 46 THR C C 13 176.0022 0.2 . 1 . . . A 23 THR C . 18099 1 111 . 1 1 46 46 THR CA C 13 60.4677 0.2 . 1 . . . A 23 THR CA . 18099 1 112 . 1 1 46 46 THR CB C 13 71.2116 0.2 . 1 . . . A 23 THR CB . 18099 1 113 . 1 1 46 46 THR N N 15 111.0756 0.1 . 1 . . . A 23 THR N . 18099 1 114 . 1 1 47 47 LYS H H 1 8.5983 0.01 . 1 . . . A 24 LYS H . 18099 1 115 . 1 1 47 47 LYS C C 13 178.2313 0.2 . 1 . . . A 24 LYS C . 18099 1 116 . 1 1 47 47 LYS CA C 13 60.5492 0.2 . 1 . . . A 24 LYS CA . 18099 1 117 . 1 1 47 47 LYS CB C 13 31.4175 0.2 . 1 . . . A 24 LYS CB . 18099 1 118 . 1 1 47 47 LYS N N 15 120.2599 0.1 . 1 . . . A 24 LYS N . 18099 1 119 . 1 1 48 48 GLN H H 1 8.3904 0.01 . 1 . . . A 25 GLN H . 18099 1 120 . 1 1 48 48 GLN C C 13 179.0473 0.2 . 1 . . . A 25 GLN C . 18099 1 121 . 1 1 48 48 GLN CA C 13 58.9614 0.2 . 1 . . . A 25 GLN CA . 18099 1 122 . 1 1 48 48 GLN CB C 13 27.2725 0.2 . 1 . . . A 25 GLN CB . 18099 1 123 . 1 1 48 48 GLN N N 15 116.3237 0.1 . 1 . . . A 25 GLN N . 18099 1 124 . 1 1 49 49 GLU H H 1 7.6437 0.01 . 1 . . . A 26 GLU H . 18099 1 125 . 1 1 49 49 GLU C C 13 179.8036 0.2 . 1 . . . A 26 GLU C . 18099 1 126 . 1 1 49 49 GLU CA C 13 59.0690 0.2 . 1 . . . A 26 GLU CA . 18099 1 127 . 1 1 49 49 GLU CB C 13 30.3254 0.2 . 1 . . . A 26 GLU CB . 18099 1 128 . 1 1 49 49 GLU N N 15 119.6767 0.1 . 1 . . . A 26 GLU N . 18099 1 129 . 1 1 50 50 ILE H H 1 8.3444 0.01 . 1 . . . A 27 ILE H . 18099 1 130 . 1 1 50 50 ILE HD11 H 1 0.8566 0.01 . 1 . . . A 27 ILE HD11 . 18099 1 131 . 1 1 50 50 ILE HD12 H 1 0.8566 0.01 . 1 . . . A 27 ILE HD12 . 18099 1 132 . 1 1 50 50 ILE HD13 H 1 0.8566 0.01 . 1 . . . A 27 ILE HD13 . 18099 1 133 . 1 1 50 50 ILE C C 13 177.6342 0.2 . 1 . . . A 27 ILE C . 18099 1 134 . 1 1 50 50 ILE CA C 13 65.3094 0.2 . 1 . . . A 27 ILE CA . 18099 1 135 . 1 1 50 50 ILE CB C 13 37.0717 0.2 . 1 . . . A 27 ILE CB . 18099 1 136 . 1 1 50 50 ILE CD1 C 13 13.2359 0.2 . 1 . . . A 27 ILE CD1 . 18099 1 137 . 1 1 50 50 ILE N N 15 123.6129 0.1 . 1 . . . A 27 ILE N . 18099 1 138 . 1 1 51 51 LEU H H 1 8.0465 0.01 . 1 . . . A 28 LEU H . 18099 1 139 . 1 1 51 51 LEU HD11 H 1 0.9645 0.01 . 2 . . . A 28 LEU HD11 . 18099 1 140 . 1 1 51 51 LEU HD12 H 1 0.9645 0.01 . 2 . . . A 28 LEU HD12 . 18099 1 141 . 1 1 51 51 LEU HD13 H 1 0.9645 0.01 . 2 . . . A 28 LEU HD13 . 18099 1 142 . 1 1 51 51 LEU HD21 H 1 1.0262 0.01 . 2 . . . A 28 LEU HD21 . 18099 1 143 . 1 1 51 51 LEU HD22 H 1 1.0262 0.01 . 2 . . . A 28 LEU HD22 . 18099 1 144 . 1 1 51 51 LEU HD23 H 1 1.0262 0.01 . 2 . . . A 28 LEU HD23 . 18099 1 145 . 1 1 51 51 LEU C C 13 180.6196 0.2 . 1 . . . A 28 LEU C . 18099 1 146 . 1 1 51 51 LEU CA C 13 58.1007 0.2 . 1 . . . A 28 LEU CA . 18099 1 147 . 1 1 51 51 LEU CB C 13 40.7458 0.2 . 1 . . . A 28 LEU CB . 18099 1 148 . 1 1 51 51 LEU CD1 C 13 25.2991 0.2 . 2 . . . A 28 LEU CD1 . 18099 1 149 . 1 1 51 51 LEU CD2 C 13 23.6863 0.2 . 2 . . . A 28 LEU CD2 . 18099 1 150 . 1 1 51 51 LEU N N 15 120.6972 0.1 . 1 . . . A 28 LEU N . 18099 1 151 . 1 1 52 52 LEU H H 1 7.9979 0.01 . 1 . . . A 29 LEU H . 18099 1 152 . 1 1 52 52 LEU HD11 H 1 0.9754 0.01 . 2 . . . A 29 LEU HD11 . 18099 1 153 . 1 1 52 52 LEU HD12 H 1 0.9754 0.01 . 2 . . . A 29 LEU HD12 . 18099 1 154 . 1 1 52 52 LEU HD13 H 1 0.9754 0.01 . 2 . . . A 29 LEU HD13 . 18099 1 155 . 1 1 52 52 LEU HD21 H 1 0.9488 0.01 . 2 . . . A 29 LEU HD21 . 18099 1 156 . 1 1 52 52 LEU HD22 H 1 0.9488 0.01 . 2 . . . A 29 LEU HD22 . 18099 1 157 . 1 1 52 52 LEU HD23 H 1 0.9488 0.01 . 2 . . . A 29 LEU HD23 . 18099 1 158 . 1 1 52 52 LEU C C 13 178.9676 0.2 . 1 . . . A 29 LEU C . 18099 1 159 . 1 1 52 52 LEU CA C 13 57.6703 0.2 . 1 . . . A 29 LEU CA . 18099 1 160 . 1 1 52 52 LEU CB C 13 40.5729 0.2 . 1 . . . A 29 LEU CB . 18099 1 161 . 1 1 52 52 LEU CD1 C 13 23.5450 0.2 . 2 . . . A 29 LEU CD1 . 18099 1 162 . 1 1 52 52 LEU CD2 C 13 24.2615 0.2 . 2 . . . A 29 LEU CD2 . 18099 1 163 . 1 1 52 52 LEU N N 15 121.4261 0.1 . 1 . . . A 29 LEU N . 18099 1 164 . 1 1 53 53 ALA H H 1 8.3804 0.01 . 1 . . . A 30 ALA H . 18099 1 165 . 1 1 53 53 ALA C C 13 179.8036 0.2 . 1 . . . A 30 ALA C . 18099 1 166 . 1 1 53 53 ALA CA C 13 55.1957 0.2 . 1 . . . A 30 ALA CA . 18099 1 167 . 1 1 53 53 ALA CB C 13 18.1036 0.2 . 1 . . . A 30 ALA CB . 18099 1 168 . 1 1 53 53 ALA N N 15 122.4466 0.1 . 1 . . . A 30 ALA N . 18099 1 169 . 1 1 54 54 HIS H H 1 8.7604 0.01 . 1 . . . A 31 HIS H . 18099 1 170 . 1 1 54 54 HIS C C 13 177.4750 0.2 . 1 . . . A 31 HIS C . 18099 1 171 . 1 1 54 54 HIS CA C 13 61.7589 0.2 . 1 . . . A 31 HIS CA . 18099 1 172 . 1 1 54 54 HIS CB C 13 30.6189 0.2 . 1 . . . A 31 HIS CB . 18099 1 173 . 1 1 54 54 HIS N N 15 118.6563 0.1 . 1 . . . A 31 HIS N . 18099 1 174 . 1 1 55 55 ARG H H 1 7.9260 0.01 . 1 . . . A 32 ARG H . 18099 1 175 . 1 1 55 55 ARG C C 13 179.3657 0.2 . 1 . . . A 32 ARG C . 18099 1 176 . 1 1 55 55 ARG CA C 13 59.6070 0.2 . 1 . . . A 32 ARG CA . 18099 1 177 . 1 1 55 55 ARG CB C 13 28.9653 0.2 . 1 . . . A 32 ARG CB . 18099 1 178 . 1 1 55 55 ARG N N 15 121.1346 0.1 . 1 . . . A 32 ARG N . 18099 1 179 . 1 1 56 56 ARG H H 1 8.3023 0.01 . 1 . . . A 33 ARG H . 18099 1 180 . 1 1 56 56 ARG C C 13 178.6691 0.2 . 1 . . . A 33 ARG C . 18099 1 181 . 1 1 56 56 ARG CA C 13 59.1475 0.2 . 1 . . . A 33 ARG CA . 18099 1 182 . 1 1 56 56 ARG CB C 13 29.1580 0.2 . 1 . . . A 33 ARG CB . 18099 1 183 . 1 1 56 56 ARG N N 15 118.2189 0.1 . 1 . . . A 33 ARG N . 18099 1 184 . 1 1 57 57 PHE H H 1 8.6751 0.01 . 1 . . . A 34 PHE H . 18099 1 185 . 1 1 57 57 PHE C C 13 177.4352 0.2 . 1 . . . A 34 PHE C . 18099 1 186 . 1 1 57 57 PHE CA C 13 61.2209 0.2 . 1 . . . A 34 PHE CA . 18099 1 187 . 1 1 57 57 PHE CB C 13 39.5487 0.2 . 1 . . . A 34 PHE CB . 18099 1 188 . 1 1 57 57 PHE N N 15 120.9888 0.1 . 1 . . . A 34 PHE N . 18099 1 189 . 1 1 58 58 CYS H H 1 8.1474 0.01 . 1 . . . A 35 CYS H . 18099 1 190 . 1 1 58 58 CYS C C 13 176.9575 0.2 . 1 . . . A 35 CYS C . 18099 1 191 . 1 1 58 58 CYS CA C 13 63.8031 0.2 . 1 . . . A 35 CYS CA . 18099 1 192 . 1 1 58 58 CYS CB C 13 26.6165 0.2 . 1 . . . A 35 CYS CB . 18099 1 193 . 1 1 58 58 CYS N N 15 114.2828 0.1 . 1 . . . A 35 CYS N . 18099 1 194 . 1 1 59 59 GLU H H 1 7.2373 0.01 . 1 . . . A 36 GLU H . 18099 1 195 . 1 1 59 59 GLU C C 13 177.2759 0.2 . 1 . . . A 36 GLU C . 18099 1 196 . 1 1 59 59 GLU CA C 13 57.8855 0.2 . 1 . . . A 36 GLU CA . 18099 1 197 . 1 1 59 59 GLU CB C 13 28.6335 0.2 . 1 . . . A 36 GLU CB . 18099 1 198 . 1 1 59 59 GLU N N 15 116.6153 0.1 . 1 . . . A 36 GLU N . 18099 1 199 . 1 1 60 60 LEU H H 1 7.1879 0.01 . 1 . . . A 37 LEU H . 18099 1 200 . 1 1 60 60 LEU HD11 H 1 0.5812 0.01 . 2 . . . A 37 LEU HD11 . 18099 1 201 . 1 1 60 60 LEU HD12 H 1 0.5812 0.01 . 2 . . . A 37 LEU HD12 . 18099 1 202 . 1 1 60 60 LEU HD13 H 1 0.5812 0.01 . 2 . . . A 37 LEU HD13 . 18099 1 203 . 1 1 60 60 LEU HD21 H 1 0.7099 0.01 . 2 . . . A 37 LEU HD21 . 18099 1 204 . 1 1 60 60 LEU HD22 H 1 0.7099 0.01 . 2 . . . A 37 LEU HD22 . 18099 1 205 . 1 1 60 60 LEU HD23 H 1 0.7099 0.01 . 2 . . . A 37 LEU HD23 . 18099 1 206 . 1 1 60 60 LEU C C 13 176.7784 0.2 . 1 . . . A 37 LEU C . 18099 1 207 . 1 1 60 60 LEU CA C 13 54.1197 0.2 . 1 . . . A 37 LEU CA . 18099 1 208 . 1 1 60 60 LEU CB C 13 40.7589 0.2 . 1 . . . A 37 LEU CB . 18099 1 209 . 1 1 60 60 LEU CD1 C 13 25.7989 0.2 . 2 . . . A 37 LEU CD1 . 18099 1 210 . 1 1 60 60 LEU CD2 C 13 21.5872 0.2 . 2 . . . A 37 LEU CD2 . 18099 1 211 . 1 1 60 60 LEU N N 15 116.6153 0.1 . 1 . . . A 37 LEU N . 18099 1 212 . 1 1 61 61 LEU H H 1 7.0602 0.01 . 1 . . . A 38 LEU H . 18099 1 213 . 1 1 61 61 LEU HD11 H 1 0.7207 0.01 . 2 . . . A 38 LEU HD11 . 18099 1 214 . 1 1 61 61 LEU HD12 H 1 0.7207 0.01 . 2 . . . A 38 LEU HD12 . 18099 1 215 . 1 1 61 61 LEU HD13 H 1 0.7207 0.01 . 2 . . . A 38 LEU HD13 . 18099 1 216 . 1 1 61 61 LEU HD21 H 1 0.4560 0.01 . 2 . . . A 38 LEU HD21 . 18099 1 217 . 1 1 61 61 LEU HD22 H 1 0.4560 0.01 . 2 . . . A 38 LEU HD22 . 18099 1 218 . 1 1 61 61 LEU HD23 H 1 0.4560 0.01 . 2 . . . A 38 LEU HD23 . 18099 1 219 . 1 1 61 61 LEU C C 13 174.8478 0.2 . 1 . . . A 38 LEU C . 18099 1 220 . 1 1 61 61 LEU CA C 13 51.7527 0.2 . 1 . . . A 38 LEU CA . 18099 1 221 . 1 1 61 61 LEU CB C 13 40.7177 0.2 . 1 . . . A 38 LEU CB . 18099 1 222 . 1 1 61 61 LEU CD1 C 13 25.8648 0.2 . 2 . . . A 38 LEU CD1 . 18099 1 223 . 1 1 61 61 LEU CD2 C 13 23.1191 0.2 . 2 . . . A 38 LEU CD2 . 18099 1 224 . 1 1 61 61 LEU N N 15 119.5310 0.1 . 1 . . . A 38 LEU N . 18099 1 225 . 1 1 63 63 GLN C C 13 177.7536 0.2 . 1 . . . A 40 GLN C . 18099 1 226 . 1 1 63 63 GLN CA C 13 59.2662 0.2 . 1 . . . A 40 GLN CA . 18099 1 227 . 1 1 63 63 GLN CB C 13 27.8402 0.2 . 1 . . . A 40 GLN CB . 18099 1 228 . 1 1 64 64 GLU H H 1 9.2868 0.01 . 1 . . . A 41 GLU H . 18099 1 229 . 1 1 64 64 GLU C C 13 177.2759 0.2 . 1 . . . A 41 GLU C . 18099 1 230 . 1 1 64 64 GLU CA C 13 58.2083 0.2 . 1 . . . A 41 GLU CA . 18099 1 231 . 1 1 64 64 GLU CB C 13 27.9058 0.2 . 1 . . . A 41 GLU CB . 18099 1 232 . 1 1 64 64 GLU N N 15 117.0526 0.1 . 1 . . . A 41 GLU N . 18099 1 233 . 1 1 65 65 GLN H H 1 8.0056 0.01 . 1 . . . A 42 GLN H . 18099 1 234 . 1 1 65 65 GLN C C 13 174.1712 0.2 . 1 . . . A 42 GLN C . 18099 1 235 . 1 1 65 65 GLN CA C 13 54.7653 0.2 . 1 . . . A 42 GLN CA . 18099 1 236 . 1 1 65 65 GLN CB C 13 29.2688 0.2 . 1 . . . A 42 GLN CB . 18099 1 237 . 1 1 65 65 GLN N N 15 119.0936 0.1 . 1 . . . A 42 GLN N . 18099 1 238 . 1 1 66 66 ARG H H 1 7.0388 0.01 . 1 . . . A 43 ARG H . 18099 1 239 . 1 1 66 66 ARG C C 13 176.2211 0.2 . 1 . . . A 43 ARG C . 18099 1 240 . 1 1 66 66 ARG CA C 13 57.1323 0.2 . 1 . . . A 43 ARG CA . 18099 1 241 . 1 1 66 66 ARG CB C 13 29.1784 0.2 . 1 . . . A 43 ARG CB . 18099 1 242 . 1 1 66 66 ARG N N 15 115.1575 0.1 . 1 . . . A 43 ARG N . 18099 1 243 . 1 1 67 67 SER H H 1 7.6412 0.01 . 1 . . . A 44 SER H . 18099 1 244 . 1 1 67 67 SER C C 13 175.5046 0.2 . 1 . . . A 44 SER C . 18099 1 245 . 1 1 67 67 SER CA C 13 57.5322 0.2 . 1 . . . A 44 SER CA . 18099 1 246 . 1 1 67 67 SER CB C 13 63.9107 0.2 . 1 . . . A 44 SER CB . 18099 1 247 . 1 1 67 67 SER N N 15 114.7201 0.1 . 1 . . . A 44 SER N . 18099 1 248 . 1 1 68 68 VAL HG11 H 1 0.8337 0.01 . 2 . . . A 45 VAL HG11 . 18099 1 249 . 1 1 68 68 VAL HG12 H 1 0.8337 0.01 . 2 . . . A 45 VAL HG12 . 18099 1 250 . 1 1 68 68 VAL HG13 H 1 0.8337 0.01 . 2 . . . A 45 VAL HG13 . 18099 1 251 . 1 1 68 68 VAL HG21 H 1 0.9204 0.01 . 2 . . . A 45 VAL HG21 . 18099 1 252 . 1 1 68 68 VAL HG22 H 1 0.9204 0.01 . 2 . . . A 45 VAL HG22 . 18099 1 253 . 1 1 68 68 VAL HG23 H 1 0.9204 0.01 . 2 . . . A 45 VAL HG23 . 18099 1 254 . 1 1 68 68 VAL C C 13 178.2711 0.2 . 1 . . . A 45 VAL C . 18099 1 255 . 1 1 68 68 VAL CA C 13 67.3358 0.2 . 1 . . . A 45 VAL CA . 18099 1 256 . 1 1 68 68 VAL CB C 13 30.4113 0.2 . 1 . . . A 45 VAL CB . 18099 1 257 . 1 1 68 68 VAL CG2 C 13 22.5026 0.2 . 2 . . . A 45 VAL CG2 . 18099 1 258 . 1 1 69 69 GLU H H 1 8.8620 0.01 . 1 . . . A 46 GLU H . 18099 1 259 . 1 1 69 69 GLU C C 13 179.1866 0.2 . 1 . . . A 46 GLU C . 18099 1 260 . 1 1 69 69 GLU CA C 13 59.7146 0.2 . 1 . . . A 46 GLU CA . 18099 1 261 . 1 1 69 69 GLU CB C 13 28.2123 0.2 . 1 . . . A 46 GLU CB . 18099 1 262 . 1 1 69 69 GLU N N 15 118.3647 0.1 . 1 . . . A 46 GLU N . 18099 1 263 . 1 1 70 70 SER H H 1 7.5876 0.01 . 1 . . . A 47 SER H . 18099 1 264 . 1 1 70 70 SER C C 13 178.2512 0.2 . 1 . . . A 47 SER C . 18099 1 265 . 1 1 70 70 SER CA C 13 61.1133 0.2 . 1 . . . A 47 SER CA . 18099 1 266 . 1 1 70 70 SER CB C 13 62.5428 0.2 . 1 . . . A 47 SER CB . 18099 1 267 . 1 1 70 70 SER N N 15 114.1370 0.1 . 1 . . . A 47 SER N . 18099 1 268 . 1 1 71 71 SER H H 1 8.7846 0.01 . 1 . . . A 48 SER H . 18099 1 269 . 1 1 71 71 SER C C 13 176.1017 0.2 . 1 . . . A 48 SER C . 18099 1 270 . 1 1 71 71 SER CA C 13 61.5437 0.2 . 1 . . . A 48 SER CA . 18099 1 271 . 1 1 71 71 SER CB C 13 63.3480 0.2 . 1 . . . A 48 SER CB . 18099 1 272 . 1 1 71 71 SER N N 15 121.2804 0.1 . 1 . . . A 48 SER N . 18099 1 273 . 1 1 72 72 LEU H H 1 7.2164 0.01 . 1 . . . A 49 LEU H . 18099 1 274 . 1 1 72 72 LEU HD11 H 1 0.8626 0.01 . 2 . . . A 49 LEU HD11 . 18099 1 275 . 1 1 72 72 LEU HD12 H 1 0.8626 0.01 . 2 . . . A 49 LEU HD12 . 18099 1 276 . 1 1 72 72 LEU HD13 H 1 0.8626 0.01 . 2 . . . A 49 LEU HD13 . 18099 1 277 . 1 1 72 72 LEU HD21 H 1 0.7435 0.01 . 2 . . . A 49 LEU HD21 . 18099 1 278 . 1 1 72 72 LEU HD22 H 1 0.7435 0.01 . 2 . . . A 49 LEU HD22 . 18099 1 279 . 1 1 72 72 LEU HD23 H 1 0.7435 0.01 . 2 . . . A 49 LEU HD23 . 18099 1 280 . 1 1 72 72 LEU C C 13 177.5546 0.2 . 1 . . . A 49 LEU C . 18099 1 281 . 1 1 72 72 LEU CA C 13 56.1640 0.2 . 1 . . . A 49 LEU CA . 18099 1 282 . 1 1 72 72 LEU CB C 13 40.1800 0.2 . 1 . . . A 49 LEU CB . 18099 1 283 . 1 1 72 72 LEU CD1 C 13 25.3253 0.2 . 2 . . . A 49 LEU CD1 . 18099 1 284 . 1 1 72 72 LEU CD2 C 13 22.2556 0.2 . 2 . . . A 49 LEU CD2 . 18099 1 285 . 1 1 72 72 LEU N N 15 120.5514 0.1 . 1 . . . A 49 LEU N . 18099 1 286 . 1 1 73 73 ARG H H 1 7.3944 0.01 . 1 . . . A 50 ARG H . 18099 1 287 . 1 1 73 73 ARG C C 13 175.9425 0.2 . 1 . . . A 50 ARG C . 18099 1 288 . 1 1 73 73 ARG CA C 13 54.7653 0.2 . 1 . . . A 50 ARG CA . 18099 1 289 . 1 1 73 73 ARG CB C 13 30.6814 0.2 . 1 . . . A 50 ARG CB . 18099 1 290 . 1 1 73 73 ARG N N 15 116.4695 0.1 . 1 . . . A 50 ARG N . 18099 1 291 . 1 1 74 74 ALA H H 1 7.2633 0.01 . 1 . . . A 51 ALA H . 18099 1 292 . 1 1 74 74 ALA C C 13 176.7784 0.2 . 1 . . . A 51 ALA C . 18099 1 293 . 1 1 74 74 ALA CA C 13 52.2906 0.2 . 1 . . . A 51 ALA CA . 18099 1 294 . 1 1 74 74 ALA CB C 13 21.0484 0.2 . 1 . . . A 51 ALA CB . 18099 1 295 . 1 1 74 74 ALA N N 15 123.9044 0.1 . 1 . . . A 51 ALA N . 18099 1 296 . 1 1 75 75 GLN H H 1 8.2828 0.01 . 1 . . . A 52 GLN H . 18099 1 297 . 1 1 75 75 GLN C C 13 175.5245 0.2 . 1 . . . A 52 GLN C . 18099 1 298 . 1 1 75 75 GLN CA C 13 53.7969 0.2 . 1 . . . A 52 GLN CA . 18099 1 299 . 1 1 75 75 GLN CB C 13 30.2156 0.2 . 1 . . . A 52 GLN CB . 18099 1 300 . 1 1 75 75 GLN N N 15 118.0731 0.1 . 1 . . . A 52 GLN N . 18099 1 301 . 1 1 76 76 VAL H H 1 9.0931 0.01 . 1 . . . A 53 VAL H . 18099 1 302 . 1 1 76 76 VAL HG11 H 1 0.9210 0.01 . 2 . . . A 53 VAL HG11 . 18099 1 303 . 1 1 76 76 VAL HG12 H 1 0.9210 0.01 . 2 . . . A 53 VAL HG12 . 18099 1 304 . 1 1 76 76 VAL HG13 H 1 0.9210 0.01 . 2 . . . A 53 VAL HG13 . 18099 1 305 . 1 1 76 76 VAL HG21 H 1 0.4274 0.01 . 2 . . . A 53 VAL HG21 . 18099 1 306 . 1 1 76 76 VAL HG22 H 1 0.4274 0.01 . 2 . . . A 53 VAL HG22 . 18099 1 307 . 1 1 76 76 VAL HG23 H 1 0.4274 0.01 . 2 . . . A 53 VAL HG23 . 18099 1 308 . 1 1 76 76 VAL C C 13 173.7532 0.2 . 1 . . . A 53 VAL C . 18099 1 309 . 1 1 76 76 VAL CA C 13 58.8538 0.2 . 1 . . . A 53 VAL CA . 18099 1 310 . 1 1 76 76 VAL CB C 13 33.0215 0.2 . 1 . . . A 53 VAL CB . 18099 1 311 . 1 1 76 76 VAL CG1 C 13 21.6812 0.2 . 2 . . . A 53 VAL CG1 . 18099 1 312 . 1 1 76 76 VAL CG2 C 13 22.9351 0.2 . 2 . . . A 53 VAL CG2 . 18099 1 313 . 1 1 76 76 VAL N N 15 124.9249 0.1 . 1 . . . A 53 VAL N . 18099 1 314 . 1 1 77 77 PRO C C 13 178.1318 0.2 . 1 . . . A 54 PRO C . 18099 1 315 . 1 1 77 77 PRO CA C 13 62.1713 0.2 . 1 . . . A 54 PRO CA . 18099 1 316 . 1 1 77 77 PRO CB C 13 32.2563 0.2 . 1 . . . A 54 PRO CB . 18099 1 317 . 1 1 78 78 PHE H H 1 7.8970 0.01 . 1 . . . A 55 PHE H . 18099 1 318 . 1 1 78 78 PHE C C 13 177.2362 0.2 . 1 . . . A 55 PHE C . 18099 1 319 . 1 1 78 78 PHE CA C 13 57.8855 0.2 . 1 . . . A 55 PHE CA . 18099 1 320 . 1 1 78 78 PHE CB C 13 36.2669 0.2 . 1 . . . A 55 PHE CB . 18099 1 321 . 1 1 78 78 PHE N N 15 120.4056 0.1 . 1 . . . A 55 PHE N . 18099 1 322 . 1 1 79 79 GLU H H 1 9.2024 0.01 . 1 . . . A 56 GLU H . 18099 1 323 . 1 1 79 79 GLU C C 13 178.4104 0.2 . 1 . . . A 56 GLU C . 18099 1 324 . 1 1 79 79 GLU CA C 13 60.1450 0.2 . 1 . . . A 56 GLU CA . 18099 1 325 . 1 1 79 79 GLU CB C 13 28.3770 0.2 . 1 . . . A 56 GLU CB . 18099 1 326 . 1 1 79 79 GLU N N 15 117.6358 0.1 . 1 . . . A 56 GLU N . 18099 1 327 . 1 1 80 80 GLN H H 1 7.3315 0.01 . 1 . . . A 57 GLN H . 18099 1 328 . 1 1 80 80 GLN C C 13 178.0123 0.2 . 1 . . . A 57 GLN C . 18099 1 329 . 1 1 80 80 GLN CA C 13 57.3475 0.2 . 1 . . . A 57 GLN CA . 18099 1 330 . 1 1 80 80 GLN CB C 13 29.3526 0.2 . 1 . . . A 57 GLN CB . 18099 1 331 . 1 1 80 80 GLN N N 15 114.4286 0.1 . 1 . . . A 57 GLN N . 18099 1 332 . 1 1 81 81 ILE H H 1 7.3751 0.01 . 1 . . . A 58 ILE H . 18099 1 333 . 1 1 81 81 ILE HD11 H 1 0.7344 0.01 . 1 . . . A 58 ILE HD11 . 18099 1 334 . 1 1 81 81 ILE HD12 H 1 0.7344 0.01 . 1 . . . A 58 ILE HD12 . 18099 1 335 . 1 1 81 81 ILE HD13 H 1 0.7344 0.01 . 1 . . . A 58 ILE HD13 . 18099 1 336 . 1 1 81 81 ILE C C 13 177.2362 0.2 . 1 . . . A 58 ILE C . 18099 1 337 . 1 1 81 81 ILE CA C 13 60.7905 0.2 . 1 . . . A 58 ILE CA . 18099 1 338 . 1 1 81 81 ILE CB C 13 35.2924 0.2 . 1 . . . A 58 ILE CB . 18099 1 339 . 1 1 81 81 ILE CD1 C 13 9.6828 0.2 . 1 . . . A 58 ILE CD1 . 18099 1 340 . 1 1 81 81 ILE N N 15 120.9888 0.1 . 1 . . . A 58 ILE N . 18099 1 341 . 1 1 82 82 LEU H H 1 8.1441 0.01 . 1 . . . A 59 LEU H . 18099 1 342 . 1 1 82 82 LEU HD21 H 1 0.7196 0.01 . 2 . . . A 59 LEU HD21 . 18099 1 343 . 1 1 82 82 LEU HD22 H 1 0.7196 0.01 . 2 . . . A 59 LEU HD22 . 18099 1 344 . 1 1 82 82 LEU HD23 H 1 0.7196 0.01 . 2 . . . A 59 LEU HD23 . 18099 1 345 . 1 1 82 82 LEU C C 13 176.3604 0.2 . 1 . . . A 59 LEU C . 18099 1 346 . 1 1 82 82 LEU CA C 13 56.3792 0.2 . 1 . . . A 59 LEU CA . 18099 1 347 . 1 1 82 82 LEU CB C 13 40.6748 0.2 . 1 . . . A 59 LEU CB . 18099 1 348 . 1 1 82 82 LEU CD2 C 13 24.0430 0.2 . 2 . . . A 59 LEU CD2 . 18099 1 349 . 1 1 82 82 LEU N N 15 116.4695 0.1 . 1 . . . A 59 LEU N . 18099 1 350 . 1 1 83 83 SER H H 1 7.0377 0.01 . 1 . . . A 60 SER H . 18099 1 351 . 1 1 83 83 SER C C 13 174.7085 0.2 . 1 . . . A 60 SER C . 18099 1 352 . 1 1 83 83 SER CA C 13 58.3159 0.2 . 1 . . . A 60 SER CA . 18099 1 353 . 1 1 83 83 SER CB C 13 64.0743 0.2 . 1 . . . A 60 SER CB . 18099 1 354 . 1 1 83 83 SER N N 15 110.3466 0.1 . 1 . . . A 60 SER N . 18099 1 355 . 1 1 84 84 LEU H H 1 7.6743 0.01 . 1 . . . A 61 LEU H . 18099 1 356 . 1 1 84 84 LEU HD11 H 1 1.0487 0.01 . 2 . . . A 61 LEU HD11 . 18099 1 357 . 1 1 84 84 LEU HD12 H 1 1.0487 0.01 . 2 . . . A 61 LEU HD12 . 18099 1 358 . 1 1 84 84 LEU HD13 H 1 1.0487 0.01 . 2 . . . A 61 LEU HD13 . 18099 1 359 . 1 1 84 84 LEU HD21 H 1 1.0350 0.01 . 2 . . . A 61 LEU HD21 . 18099 1 360 . 1 1 84 84 LEU HD22 H 1 1.0350 0.01 . 2 . . . A 61 LEU HD22 . 18099 1 361 . 1 1 84 84 LEU HD23 H 1 1.0350 0.01 . 2 . . . A 61 LEU HD23 . 18099 1 362 . 1 1 84 84 LEU C C 13 176.5993 0.2 . 1 . . . A 61 LEU C . 18099 1 363 . 1 1 84 84 LEU CA C 13 53.6894 0.2 . 1 . . . A 61 LEU CA . 18099 1 364 . 1 1 84 84 LEU CB C 13 39.4033 0.2 . 1 . . . A 61 LEU CB . 18099 1 365 . 1 1 84 84 LEU CD1 C 13 25.6335 0.2 . 2 . . . A 61 LEU CD1 . 18099 1 366 . 1 1 84 84 LEU CD2 C 13 22.3293 0.2 . 2 . . . A 61 LEU CD2 . 18099 1 367 . 1 1 84 84 LEU N N 15 124.6334 0.1 . 1 . . . A 61 LEU N . 18099 1 368 . 1 1 85 85 PRO C C 13 178.4574 0.2 . 1 . . . A 62 PRO C . 18099 1 369 . 1 1 85 85 PRO CA C 13 65.3278 0.2 . 1 . . . A 62 PRO CA . 18099 1 370 . 1 1 85 85 PRO CB C 13 30.9099 0.2 . 1 . . . A 62 PRO CB . 18099 1 371 . 1 1 86 86 GLU H H 1 10.0046 0.01 . 1 . . . A 63 GLU H . 18099 1 372 . 1 1 86 86 GLU C C 13 176.2800 0.2 . 1 . . . A 63 GLU C . 18099 1 373 . 1 1 86 86 GLU CA C 13 59.6936 0.2 . 1 . . . A 63 GLU CA . 18099 1 374 . 1 1 86 86 GLU CB C 13 27.7240 0.2 . 1 . . . A 63 GLU CB . 18099 1 375 . 1 1 86 86 GLU N N 15 117.1984 0.1 . 1 . . . A 63 GLU N . 18099 1 376 . 1 1 87 87 LEU H H 1 7.3474 0.01 . 1 . . . A 64 LEU H . 18099 1 377 . 1 1 87 87 LEU HD11 H 1 0.8840 0.01 . 2 . . . A 64 LEU HD11 . 18099 1 378 . 1 1 87 87 LEU HD12 H 1 0.8840 0.01 . 2 . . . A 64 LEU HD12 . 18099 1 379 . 1 1 87 87 LEU HD13 H 1 0.8840 0.01 . 2 . . . A 64 LEU HD13 . 18099 1 380 . 1 1 87 87 LEU HD21 H 1 0.9217 0.01 . 2 . . . A 64 LEU HD21 . 18099 1 381 . 1 1 87 87 LEU HD22 H 1 0.9217 0.01 . 2 . . . A 64 LEU HD22 . 18099 1 382 . 1 1 87 87 LEU HD23 H 1 0.9217 0.01 . 2 . . . A 64 LEU HD23 . 18099 1 383 . 1 1 87 87 LEU C C 13 178.1969 0.2 . 1 . . . A 64 LEU C . 18099 1 384 . 1 1 87 87 LEU CA C 13 54.2608 0.2 . 1 . . . A 64 LEU CA . 18099 1 385 . 1 1 87 87 LEU CB C 13 43.7939 0.2 . 1 . . . A 64 LEU CB . 18099 1 386 . 1 1 87 87 LEU CD1 C 13 25.6249 0.2 . 2 . . . A 64 LEU CD1 . 18099 1 387 . 1 1 87 87 LEU CD2 C 13 25.4310 0.2 . 2 . . . A 64 LEU CD2 . 18099 1 388 . 1 1 87 87 LEU N N 15 115.5948 0.1 . 1 . . . A 64 LEU N . 18099 1 389 . 1 1 88 88 LYS H H 1 7.8408 0.01 . 1 . . . A 65 LYS H . 18099 1 390 . 1 1 88 88 LYS C C 13 176.8905 0.2 . 1 . . . A 65 LYS C . 18099 1 391 . 1 1 88 88 LYS CA C 13 59.9569 0.2 . 1 . . . A 65 LYS CA . 18099 1 392 . 1 1 88 88 LYS CB C 13 31.5303 0.2 . 1 . . . A 65 LYS CB . 18099 1 393 . 1 1 88 88 LYS N N 15 119.6767 0.1 . 1 . . . A 65 LYS N . 18099 1 394 . 1 1 89 89 ALA C C 13 176.5034 0.2 . 1 . . . A 66 ALA C . 18099 1 395 . 1 1 89 89 ALA CA C 13 50.8258 0.2 . 1 . . . A 66 ALA CA . 18099 1 396 . 1 1 89 89 ALA CB C 13 18.0953 0.2 . 1 . . . A 66 ALA CB . 18099 1 397 . 1 1 90 90 ASN H H 1 7.8469 0.01 . 1 . . . A 67 ASN H . 18099 1 398 . 1 1 90 90 ASN C C 13 175.9546 0.2 . 1 . . . A 67 ASN C . 18099 1 399 . 1 1 90 90 ASN CA C 13 50.9301 0.2 . 1 . . . A 67 ASN CA . 18099 1 400 . 1 1 90 90 ASN CB C 13 40.1899 0.2 . 1 . . . A 67 ASN CB . 18099 1 401 . 1 1 90 90 ASN N N 15 123.4671 0.1 . 1 . . . A 67 ASN N . 18099 1 402 . 1 1 91 91 PRO C C 13 176.9177 0.2 . 1 . . . A 68 PRO C . 18099 1 403 . 1 1 91 91 PRO CA C 13 63.8928 0.2 . 1 . . . A 68 PRO CA . 18099 1 404 . 1 1 91 91 PRO CB C 13 31.3515 0.2 . 1 . . . A 68 PRO CB . 18099 1 405 . 1 1 92 92 PHE H H 1 9.0058 0.01 . 1 . . . A 69 PHE H . 18099 1 406 . 1 1 92 92 PHE C C 13 176.9774 0.2 . 1 . . . A 69 PHE C . 18099 1 407 . 1 1 92 92 PHE CA C 13 56.9172 0.2 . 1 . . . A 69 PHE CA . 18099 1 408 . 1 1 92 92 PHE CB C 13 38.0772 0.2 . 1 . . . A 69 PHE CB . 18099 1 409 . 1 1 92 92 PHE N N 15 116.1780 0.1 . 1 . . . A 69 PHE N . 18099 1 410 . 1 1 93 93 LYS H H 1 7.6931 0.01 . 1 . . . A 70 LYS H . 18099 1 411 . 1 1 93 93 LYS C C 13 175.9823 0.2 . 1 . . . A 70 LYS C . 18099 1 412 . 1 1 93 93 LYS CA C 13 60.4677 0.2 . 1 . . . A 70 LYS CA . 18099 1 413 . 1 1 93 93 LYS CB C 13 31.0258 0.2 . 1 . . . A 70 LYS CB . 18099 1 414 . 1 1 93 93 LYS N N 15 119.3852 0.1 . 1 . . . A 70 LYS N . 18099 1 415 . 1 1 94 94 GLU H H 1 8.5486 0.01 . 1 . . . A 71 GLU H . 18099 1 416 . 1 1 94 94 GLU C C 13 179.0075 0.2 . 1 . . . A 71 GLU C . 18099 1 417 . 1 1 94 94 GLU CA C 13 60.5759 0.2 . 1 . . . A 71 GLU CA . 18099 1 418 . 1 1 94 94 GLU CB C 13 28.0821 0.2 . 1 . . . A 71 GLU CB . 18099 1 419 . 1 1 94 94 GLU N N 15 120.4056 0.1 . 1 . . . A 71 GLU N . 18099 1 420 . 1 1 95 95 ARG H H 1 7.4947 0.01 . 1 . . . A 72 ARG H . 18099 1 421 . 1 1 95 95 ARG C C 13 178.1118 0.2 . 1 . . . A 72 ARG C . 18099 1 422 . 1 1 95 95 ARG CA C 13 56.4868 0.2 . 1 . . . A 72 ARG CA . 18099 1 423 . 1 1 95 95 ARG CB C 13 28.7067 0.2 . 1 . . . A 72 ARG CB . 18099 1 424 . 1 1 95 95 ARG N N 15 119.6767 0.1 . 1 . . . A 72 ARG N . 18099 1 425 . 1 1 96 96 ILE H H 1 8.5351 0.01 . 1 . . . A 73 ILE H . 18099 1 426 . 1 1 96 96 ILE HD11 H 1 0.9933 0.01 . 1 . . . A 73 ILE HD11 . 18099 1 427 . 1 1 96 96 ILE HD12 H 1 0.9933 0.01 . 1 . . . A 73 ILE HD12 . 18099 1 428 . 1 1 96 96 ILE HD13 H 1 0.9933 0.01 . 1 . . . A 73 ILE HD13 . 18099 1 429 . 1 1 96 96 ILE C C 13 177.2759 0.2 . 1 . . . A 73 ILE C . 18099 1 430 . 1 1 96 96 ILE CA C 13 66.0626 0.2 . 1 . . . A 73 ILE CA . 18099 1 431 . 1 1 96 96 ILE CB C 13 37.2294 0.2 . 1 . . . A 73 ILE CB . 18099 1 432 . 1 1 96 96 ILE CD1 C 13 14.0960 0.2 . 1 . . . A 73 ILE CD1 . 18099 1 433 . 1 1 96 96 ILE N N 15 119.0936 0.1 . 1 . . . A 73 ILE N . 18099 1 434 . 1 1 97 97 CYS H H 1 7.2351 0.01 . 1 . . . A 74 CYS H . 18099 1 435 . 1 1 97 97 CYS C C 13 174.8478 0.2 . 1 . . . A 74 CYS C . 18099 1 436 . 1 1 97 97 CYS CA C 13 65.0942 0.2 . 1 . . . A 74 CYS CA . 18099 1 437 . 1 1 97 97 CYS CB C 13 24.5674 0.2 . 1 . . . A 74 CYS CB . 18099 1 438 . 1 1 97 97 CYS N N 15 115.1575 0.1 . 1 . . . A 74 CYS N . 18099 1 439 . 1 1 98 98 ARG H H 1 7.1364 0.01 . 1 . . . A 75 ARG H . 18099 1 440 . 1 1 98 98 ARG C C 13 178.4701 0.2 . 1 . . . A 75 ARG C . 18099 1 441 . 1 1 98 98 ARG CA C 13 59.4994 0.2 . 1 . . . A 75 ARG CA . 18099 1 442 . 1 1 98 98 ARG CB C 13 29.2988 0.2 . 1 . . . A 75 ARG CB . 18099 1 443 . 1 1 98 98 ARG N N 15 115.8864 0.1 . 1 . . . A 75 ARG N . 18099 1 444 . 1 1 99 99 VAL H H 1 8.0432 0.01 . 1 . . . A 76 VAL H . 18099 1 445 . 1 1 99 99 VAL HG11 H 1 0.4700 0.01 . 2 . . . A 76 VAL HG11 . 18099 1 446 . 1 1 99 99 VAL HG12 H 1 0.4700 0.01 . 2 . . . A 76 VAL HG12 . 18099 1 447 . 1 1 99 99 VAL HG13 H 1 0.4700 0.01 . 2 . . . A 76 VAL HG13 . 18099 1 448 . 1 1 99 99 VAL HG21 H 1 0.7902 0.01 . 2 . . . A 76 VAL HG21 . 18099 1 449 . 1 1 99 99 VAL HG22 H 1 0.7902 0.01 . 2 . . . A 76 VAL HG22 . 18099 1 450 . 1 1 99 99 VAL HG23 H 1 0.7902 0.01 . 2 . . . A 76 VAL HG23 . 18099 1 451 . 1 1 99 99 VAL C C 13 177.2362 0.2 . 1 . . . A 76 VAL C . 18099 1 452 . 1 1 99 99 VAL CA C 13 64.9867 0.2 . 1 . . . A 76 VAL CA . 18099 1 453 . 1 1 99 99 VAL CB C 13 30.8473 0.2 . 1 . . . A 76 VAL CB . 18099 1 454 . 1 1 99 99 VAL CG1 C 13 20.3335 0.2 . 2 . . . A 76 VAL CG1 . 18099 1 455 . 1 1 99 99 VAL CG2 C 13 23.0712 0.2 . 2 . . . A 76 VAL CG2 . 18099 1 456 . 1 1 99 99 VAL N N 15 117.1984 0.1 . 1 . . . A 76 VAL N . 18099 1 457 . 1 1 100 100 PHE H H 1 7.4358 0.01 . 1 . . . A 77 PHE H . 18099 1 458 . 1 1 100 100 PHE C C 13 175.0071 0.2 . 1 . . . A 77 PHE C . 18099 1 459 . 1 1 100 100 PHE CA C 13 60.4677 0.2 . 1 . . . A 77 PHE CA . 18099 1 460 . 1 1 100 100 PHE CB C 13 38.7858 0.2 . 1 . . . A 77 PHE CB . 18099 1 461 . 1 1 100 100 PHE N N 15 115.5948 0.1 . 1 . . . A 77 PHE N . 18099 1 462 . 1 1 101 101 SER H H 1 7.1556 0.01 . 1 . . . A 78 SER H . 18099 1 463 . 1 1 101 101 SER C C 13 177.1565 0.2 . 1 . . . A 78 SER C . 18099 1 464 . 1 1 101 101 SER CA C 13 58.6386 0.2 . 1 . . . A 78 SER CA . 18099 1 465 . 1 1 101 101 SER CB C 13 64.2082 0.2 . 1 . . . A 78 SER CB . 18099 1 466 . 1 1 101 101 SER N N 15 112.5334 0.1 . 1 . . . A 78 SER N . 18099 1 467 . 1 1 102 102 THR H H 1 9.2669 0.01 . 1 . . . A 79 THR H . 18099 1 468 . 1 1 102 102 THR C C 13 175.7634 0.2 . 1 . . . A 79 THR C . 18099 1 469 . 1 1 102 102 THR CA C 13 61.3285 0.2 . 1 . . . A 79 THR CA . 18099 1 470 . 1 1 102 102 THR CB C 13 68.6468 0.2 . 1 . . . A 79 THR CB . 18099 1 471 . 1 1 102 102 THR N N 15 120.5514 0.1 . 1 . . . A 79 THR N . 18099 1 472 . 1 1 103 103 SER H H 1 8.1205 0.01 . 1 . . . A 80 SER H . 18099 1 473 . 1 1 103 103 SER C C 13 175.7434 0.2 . 1 . . . A 80 SER C . 18099 1 474 . 1 1 103 103 SER CA C 13 56.1640 0.2 . 1 . . . A 80 SER CA . 18099 1 475 . 1 1 103 103 SER CB C 13 63.2206 0.2 . 1 . . . A 80 SER CB . 18099 1 476 . 1 1 103 103 SER N N 15 121.2804 0.1 . 1 . . . A 80 SER N . 18099 1 477 . 1 1 104 104 PRO C C 13 177.6541 0.2 . 1 . . . A 81 PRO C . 18099 1 478 . 1 1 104 104 PRO CA C 13 65.3991 0.2 . 1 . . . A 81 PRO CA . 18099 1 479 . 1 1 104 104 PRO CB C 13 31.3817 0.2 . 1 . . . A 81 PRO CB . 18099 1 480 . 1 1 105 105 ALA H H 1 7.9614 0.01 . 1 . . . A 82 ALA H . 18099 1 481 . 1 1 105 105 ALA C C 13 177.0769 0.2 . 1 . . . A 82 ALA C . 18099 1 482 . 1 1 105 105 ALA CA C 13 51.4299 0.2 . 1 . . . A 82 ALA CA . 18099 1 483 . 1 1 105 105 ALA CB C 13 18.0226 0.2 . 1 . . . A 82 ALA CB . 18099 1 484 . 1 1 105 105 ALA N N 15 117.9274 0.1 . 1 . . . A 82 ALA N . 18099 1 485 . 1 1 106 106 LYS H H 1 7.9842 0.01 . 1 . . . A 83 LYS H . 18099 1 486 . 1 1 106 106 LYS C C 13 175.2061 0.2 . 1 . . . A 83 LYS C . 18099 1 487 . 1 1 106 106 LYS CA C 13 55.8412 0.2 . 1 . . . A 83 LYS CA . 18099 1 488 . 1 1 106 106 LYS CB C 13 29.4599 0.2 . 1 . . . A 83 LYS CB . 18099 1 489 . 1 1 106 106 LYS N N 15 115.4490 0.1 . 1 . . . A 83 LYS N . 18099 1 490 . 1 1 107 107 ASP H H 1 7.6698 0.01 . 1 . . . A 84 ASP H . 18099 1 491 . 1 1 107 107 ASP C C 13 175.8231 0.2 . 1 . . . A 84 ASP C . 18099 1 492 . 1 1 107 107 ASP CA C 13 52.2906 0.2 . 1 . . . A 84 ASP CA . 18099 1 493 . 1 1 107 107 ASP CB C 13 40.5958 0.2 . 1 . . . A 84 ASP CB . 18099 1 494 . 1 1 107 107 ASP N N 15 112.2418 0.1 . 1 . . . A 84 ASP N . 18099 1 495 . 1 1 108 108 SER H H 1 7.2709 0.01 . 1 . . . A 85 SER H . 18099 1 496 . 1 1 108 108 SER C C 13 172.8974 0.2 . 1 . . . A 85 SER C . 18099 1 497 . 1 1 108 108 SER CA C 13 57.1323 0.2 . 1 . . . A 85 SER CA . 18099 1 498 . 1 1 108 108 SER CB C 13 65.3474 0.2 . 1 . . . A 85 SER CB . 18099 1 499 . 1 1 108 108 SER N N 15 113.5539 0.1 . 1 . . . A 85 SER N . 18099 1 500 . 1 1 109 109 LEU H H 1 9.1793 0.01 . 1 . . . A 86 LEU H . 18099 1 501 . 1 1 109 109 LEU HD11 H 1 1.1312 0.01 . 2 . . . A 86 LEU HD11 . 18099 1 502 . 1 1 109 109 LEU HD12 H 1 1.1312 0.01 . 2 . . . A 86 LEU HD12 . 18099 1 503 . 1 1 109 109 LEU HD13 H 1 1.1312 0.01 . 2 . . . A 86 LEU HD13 . 18099 1 504 . 1 1 109 109 LEU HD21 H 1 1.2105 0.01 . 2 . . . A 86 LEU HD21 . 18099 1 505 . 1 1 109 109 LEU HD22 H 1 1.2105 0.01 . 2 . . . A 86 LEU HD22 . 18099 1 506 . 1 1 109 109 LEU HD23 H 1 1.2105 0.01 . 2 . . . A 86 LEU HD23 . 18099 1 507 . 1 1 109 109 LEU C C 13 176.4002 0.2 . 1 . . . A 86 LEU C . 18099 1 508 . 1 1 109 109 LEU CA C 13 54.5501 0.2 . 1 . . . A 86 LEU CA . 18099 1 509 . 1 1 109 109 LEU CB C 13 44.0200 0.2 . 1 . . . A 86 LEU CB . 18099 1 510 . 1 1 109 109 LEU CD1 C 13 25.9978 0.2 . 2 . . . A 86 LEU CD1 . 18099 1 511 . 1 1 109 109 LEU CD2 C 13 24.3377 0.2 . 2 . . . A 86 LEU CD2 . 18099 1 512 . 1 1 109 109 LEU N N 15 121.4261 0.1 . 1 . . . A 86 LEU N . 18099 1 513 . 1 1 110 110 SER H H 1 8.3048 0.01 . 1 . . . A 87 SER H . 18099 1 514 . 1 1 110 110 SER C C 13 174.8080 0.2 . 1 . . . A 87 SER C . 18099 1 515 . 1 1 110 110 SER CA C 13 56.0564 0.2 . 1 . . . A 87 SER CA . 18099 1 516 . 1 1 110 110 SER CB C 13 65.6436 0.2 . 1 . . . A 87 SER CB . 18099 1 517 . 1 1 110 110 SER N N 15 117.9274 0.1 . 1 . . . A 87 SER N . 18099 1 518 . 1 1 111 111 PHE H H 1 9.8504 0.01 . 1 . . . A 88 PHE H . 18099 1 519 . 1 1 111 111 PHE C C 13 176.7983 0.2 . 1 . . . A 88 PHE C . 18099 1 520 . 1 1 111 111 PHE CA C 13 60.4677 0.2 . 1 . . . A 88 PHE CA . 18099 1 521 . 1 1 111 111 PHE CB C 13 37.1604 0.2 . 1 . . . A 88 PHE CB . 18099 1 522 . 1 1 111 111 PHE N N 15 122.5924 0.1 . 1 . . . A 88 PHE N . 18099 1 523 . 1 1 112 112 GLU H H 1 8.2328 0.01 . 1 . . . A 89 GLU H . 18099 1 524 . 1 1 112 112 GLU C C 13 178.4900 0.2 . 1 . . . A 89 GLU C . 18099 1 525 . 1 1 112 112 GLU CA C 13 60.1450 0.2 . 1 . . . A 89 GLU CA . 18099 1 526 . 1 1 112 112 GLU CB C 13 28.0484 0.2 . 1 . . . A 89 GLU CB . 18099 1 527 . 1 1 112 112 GLU N N 15 117.7816 0.1 . 1 . . . A 89 GLU N . 18099 1 528 . 1 1 113 113 ASP H H 1 7.6912 0.01 . 1 . . . A 90 ASP H . 18099 1 529 . 1 1 113 113 ASP C C 13 177.7138 0.2 . 1 . . . A 90 ASP C . 18099 1 530 . 1 1 113 113 ASP CA C 13 57.0248 0.2 . 1 . . . A 90 ASP CA . 18099 1 531 . 1 1 113 113 ASP CB C 13 41.6985 0.2 . 1 . . . A 90 ASP CB . 18099 1 532 . 1 1 113 113 ASP N N 15 121.5719 0.1 . 1 . . . A 90 ASP N . 18099 1 533 . 1 1 114 114 PHE H H 1 8.2136 0.01 . 1 . . . A 91 PHE H . 18099 1 534 . 1 1 114 114 PHE C C 13 176.4600 0.2 . 1 . . . A 91 PHE C . 18099 1 535 . 1 1 114 114 PHE CA C 13 60.0374 0.2 . 1 . . . A 91 PHE CA . 18099 1 536 . 1 1 114 114 PHE CB C 13 39.2010 0.2 . 1 . . . A 91 PHE CB . 18099 1 537 . 1 1 114 114 PHE N N 15 121.1346 0.1 . 1 . . . A 91 PHE N . 18099 1 538 . 1 1 115 115 LEU H H 1 8.1886 0.01 . 1 . . . A 92 LEU H . 18099 1 539 . 1 1 115 115 LEU HD11 H 1 0.1050 0.01 . 2 . . . A 92 LEU HD11 . 18099 1 540 . 1 1 115 115 LEU HD12 H 1 0.1050 0.01 . 2 . . . A 92 LEU HD12 . 18099 1 541 . 1 1 115 115 LEU HD13 H 1 0.1050 0.01 . 2 . . . A 92 LEU HD13 . 18099 1 542 . 1 1 115 115 LEU HD21 H 1 0.3494 0.01 . 2 . . . A 92 LEU HD21 . 18099 1 543 . 1 1 115 115 LEU HD22 H 1 0.3494 0.01 . 2 . . . A 92 LEU HD22 . 18099 1 544 . 1 1 115 115 LEU HD23 H 1 0.3494 0.01 . 2 . . . A 92 LEU HD23 . 18099 1 545 . 1 1 115 115 LEU C C 13 179.1866 0.2 . 1 . . . A 92 LEU C . 18099 1 546 . 1 1 115 115 LEU CA C 13 57.1323 0.2 . 1 . . . A 92 LEU CA . 18099 1 547 . 1 1 115 115 LEU CB C 13 40.2765 0.2 . 1 . . . A 92 LEU CB . 18099 1 548 . 1 1 115 115 LEU CD1 C 13 25.4357 0.2 . 2 . . . A 92 LEU CD1 . 18099 1 549 . 1 1 115 115 LEU CD2 C 13 23.3714 0.2 . 2 . . . A 92 LEU CD2 . 18099 1 550 . 1 1 115 115 LEU N N 15 118.3647 0.1 . 1 . . . A 92 LEU N . 18099 1 551 . 1 1 116 116 ASP H H 1 7.6399 0.01 . 1 . . . A 93 ASP H . 18099 1 552 . 1 1 116 116 ASP C C 13 177.3356 0.2 . 1 . . . A 93 ASP C . 18099 1 553 . 1 1 116 116 ASP CA C 13 57.2399 0.2 . 1 . . . A 93 ASP CA . 18099 1 554 . 1 1 116 116 ASP CB C 13 39.8638 0.2 . 1 . . . A 93 ASP CB . 18099 1 555 . 1 1 116 116 ASP N N 15 120.8430 0.1 . 1 . . . A 93 ASP N . 18099 1 556 . 1 1 117 117 LEU H H 1 7.4803 0.01 . 1 . . . A 94 LEU H . 18099 1 557 . 1 1 117 117 LEU HD11 H 1 0.4816 0.01 . 2 . . . A 94 LEU HD11 . 18099 1 558 . 1 1 117 117 LEU HD12 H 1 0.4816 0.01 . 2 . . . A 94 LEU HD12 . 18099 1 559 . 1 1 117 117 LEU HD13 H 1 0.4816 0.01 . 2 . . . A 94 LEU HD13 . 18099 1 560 . 1 1 117 117 LEU HD21 H 1 0.4876 0.01 . 2 . . . A 94 LEU HD21 . 18099 1 561 . 1 1 117 117 LEU HD22 H 1 0.4876 0.01 . 2 . . . A 94 LEU HD22 . 18099 1 562 . 1 1 117 117 LEU HD23 H 1 0.4876 0.01 . 2 . . . A 94 LEU HD23 . 18099 1 563 . 1 1 117 117 LEU C C 13 177.8531 0.2 . 1 . . . A 94 LEU C . 18099 1 564 . 1 1 117 117 LEU CA C 13 57.5627 0.2 . 1 . . . A 94 LEU CA . 18099 1 565 . 1 1 117 117 LEU CB C 13 40.6705 0.2 . 1 . . . A 94 LEU CB . 18099 1 566 . 1 1 117 117 LEU CD1 C 13 26.4908 0.2 . 2 . . . A 94 LEU CD1 . 18099 1 567 . 1 1 117 117 LEU CD2 C 13 24.3953 0.2 . 2 . . . A 94 LEU CD2 . 18099 1 568 . 1 1 117 117 LEU N N 15 122.4466 0.1 . 1 . . . A 94 LEU N . 18099 1 569 . 1 1 118 118 LEU H H 1 7.8922 0.01 . 1 . . . A 95 LEU H . 18099 1 570 . 1 1 118 118 LEU HD11 H 1 0.2645 0.01 . 2 . . . A 95 LEU HD11 . 18099 1 571 . 1 1 118 118 LEU HD12 H 1 0.2645 0.01 . 2 . . . A 95 LEU HD12 . 18099 1 572 . 1 1 118 118 LEU HD13 H 1 0.2645 0.01 . 2 . . . A 95 LEU HD13 . 18099 1 573 . 1 1 118 118 LEU HD21 H 1 0.3810 0.01 . 2 . . . A 95 LEU HD21 . 18099 1 574 . 1 1 118 118 LEU HD22 H 1 0.3810 0.01 . 2 . . . A 95 LEU HD22 . 18099 1 575 . 1 1 118 118 LEU HD23 H 1 0.3810 0.01 . 2 . . . A 95 LEU HD23 . 18099 1 576 . 1 1 118 118 LEU C C 13 180.9229 0.2 . 1 . . . A 95 LEU C . 18099 1 577 . 1 1 118 118 LEU CA C 13 57.2399 0.2 . 1 . . . A 95 LEU CA . 18099 1 578 . 1 1 118 118 LEU CB C 13 40.3284 0.2 . 1 . . . A 95 LEU CB . 18099 1 579 . 1 1 118 118 LEU CD1 C 13 25.7348 0.2 . 2 . . . A 95 LEU CD1 . 18099 1 580 . 1 1 118 118 LEU CD2 C 13 20.9091 0.2 . 2 . . . A 95 LEU CD2 . 18099 1 581 . 1 1 118 118 LEU N N 15 116.9069 0.1 . 1 . . . A 95 LEU N . 18099 1 582 . 1 1 119 119 SER H H 1 8.4104 0.01 . 1 . . . A 96 SER H . 18099 1 583 . 1 1 119 119 SER C C 13 176.3430 0.2 . 1 . . . A 96 SER C . 18099 1 584 . 1 1 119 119 SER N N 15 116.0322 0.1 . 1 . . . A 96 SER N . 18099 1 585 . 1 1 120 120 VAL H H 1 7.2551 0.01 . 1 . . . A 97 VAL H . 18099 1 586 . 1 1 120 120 VAL HG11 H 1 0.1569 0.01 . 2 . . . A 97 VAL HG11 . 18099 1 587 . 1 1 120 120 VAL HG12 H 1 0.1569 0.01 . 2 . . . A 97 VAL HG12 . 18099 1 588 . 1 1 120 120 VAL HG13 H 1 0.1569 0.01 . 2 . . . A 97 VAL HG13 . 18099 1 589 . 1 1 120 120 VAL C C 13 176.2800 0.2 . 1 . . . A 97 VAL C . 18099 1 590 . 1 1 120 120 VAL CA C 13 65.0258 0.2 . 1 . . . A 97 VAL CA . 18099 1 591 . 1 1 120 120 VAL CB C 13 30.0514 0.2 . 1 . . . A 97 VAL CB . 18099 1 592 . 1 1 120 120 VAL CG1 C 13 22.2351 0.2 . 2 . . . A 97 VAL CG1 . 18099 1 593 . 1 1 120 120 VAL N N 15 119.3852 0.1 . 1 . . . A 97 VAL N . 18099 1 594 . 1 1 121 121 PHE H H 1 7.1508 0.01 . 1 . . . A 98 PHE H . 18099 1 595 . 1 1 121 121 PHE C C 13 176.2056 0.2 . 1 . . . A 98 PHE C . 18099 1 596 . 1 1 121 121 PHE CA C 13 60.1967 0.2 . 1 . . . A 98 PHE CA . 18099 1 597 . 1 1 121 121 PHE CB C 13 38.8944 0.2 . 1 . . . A 98 PHE CB . 18099 1 598 . 1 1 121 121 PHE N N 15 116.7611 0.1 . 1 . . . A 98 PHE N . 18099 1 599 . 1 1 122 122 SER H H 1 7.2701 0.01 . 1 . . . A 99 SER H . 18099 1 600 . 1 1 122 122 SER C C 13 177.0058 0.2 . 1 . . . A 99 SER C . 18099 1 601 . 1 1 122 122 SER CA C 13 58.4863 0.2 . 1 . . . A 99 SER CA . 18099 1 602 . 1 1 122 122 SER CB C 13 63.8344 0.2 . 1 . . . A 99 SER CB . 18099 1 603 . 1 1 122 122 SER N N 15 115.4490 0.1 . 1 . . . A 99 SER N . 18099 1 604 . 1 1 123 123 ASP C C 13 177.0417 0.2 . 1 . . . A 100 ASP C . 18099 1 605 . 1 1 123 123 ASP CA C 13 56.1788 0.2 . 1 . . . A 100 ASP CA . 18099 1 606 . 1 1 123 123 ASP CB C 13 40.2358 0.2 . 1 . . . A 100 ASP CB . 18099 1 607 . 1 1 124 124 THR H H 1 8.1466 0.01 . 1 . . . A 101 THR H . 18099 1 608 . 1 1 124 124 THR C C 13 174.9093 0.2 . 1 . . . A 101 THR C . 18099 1 609 . 1 1 124 124 THR CA C 13 62.0523 0.2 . 1 . . . A 101 THR CA . 18099 1 610 . 1 1 124 124 THR CB C 13 68.4862 0.2 . 1 . . . A 101 THR CB . 18099 1 611 . 1 1 124 124 THR N N 15 111.0756 0.1 . 1 . . . A 101 THR N . 18099 1 612 . 1 1 125 125 ALA H H 1 6.8007 0.01 . 1 . . . A 102 ALA H . 18099 1 613 . 1 1 125 125 ALA C C 13 176.7596 0.2 . 1 . . . A 102 ALA C . 18099 1 614 . 1 1 125 125 ALA CA C 13 51.5027 0.2 . 1 . . . A 102 ALA CA . 18099 1 615 . 1 1 125 125 ALA CB C 13 18.2916 0.2 . 1 . . . A 102 ALA CB . 18099 1 616 . 1 1 125 125 ALA N N 15 124.1960 0.1 . 1 . . . A 102 ALA N . 18099 1 617 . 1 1 126 126 THR H H 1 6.2542 0.01 . 1 . . . A 103 THR H . 18099 1 618 . 1 1 126 126 THR C C 13 173.9248 0.2 . 1 . . . A 103 THR C . 18099 1 619 . 1 1 126 126 THR CA C 13 59.3106 0.2 . 1 . . . A 103 THR CA . 18099 1 620 . 1 1 126 126 THR CB C 13 67.5812 0.2 . 1 . . . A 103 THR CB . 18099 1 621 . 1 1 126 126 THR N N 15 111.5129 0.1 . 1 . . . A 103 THR N . 18099 1 622 . 1 1 127 127 PRO C C 13 178.4016 0.2 . 1 . . . A 104 PRO C . 18099 1 623 . 1 1 127 127 PRO CA C 13 65.1336 0.2 . 1 . . . A 104 PRO CA . 18099 1 624 . 1 1 127 127 PRO CB C 13 30.5485 0.2 . 1 . . . A 104 PRO CB . 18099 1 625 . 1 1 128 128 ASP H H 1 8.3406 0.01 . 1 . . . A 105 ASP H . 18099 1 626 . 1 1 128 128 ASP C C 13 178.0591 0.2 . 1 . . . A 105 ASP C . 18099 1 627 . 1 1 128 128 ASP CA C 13 56.8676 0.2 . 1 . . . A 105 ASP CA . 18099 1 628 . 1 1 128 128 ASP CB C 13 39.3456 0.2 . 1 . . . A 105 ASP CB . 18099 1 629 . 1 1 128 128 ASP N N 15 116.4695 0.1 . 1 . . . A 105 ASP N . 18099 1 630 . 1 1 129 129 ILE H H 1 7.4433 0.01 . 1 . . . A 106 ILE H . 18099 1 631 . 1 1 129 129 ILE HD11 H 1 0.9264 0.01 . 1 . . . A 106 ILE HD11 . 18099 1 632 . 1 1 129 129 ILE HD12 H 1 0.9264 0.01 . 1 . . . A 106 ILE HD12 . 18099 1 633 . 1 1 129 129 ILE HD13 H 1 0.9264 0.01 . 1 . . . A 106 ILE HD13 . 18099 1 634 . 1 1 129 129 ILE C C 13 178.1105 0.2 . 1 . . . A 106 ILE C . 18099 1 635 . 1 1 129 129 ILE CA C 13 63.2499 0.2 . 1 . . . A 106 ILE CA . 18099 1 636 . 1 1 129 129 ILE CB C 13 36.7490 0.2 . 1 . . . A 106 ILE CB . 18099 1 637 . 1 1 129 129 ILE CD1 C 13 12.3319 0.2 . 1 . . . A 106 ILE CD1 . 18099 1 638 . 1 1 129 129 ILE N N 15 122.7382 0.1 . 1 . . . A 106 ILE N . 18099 1 639 . 1 1 130 130 LYS H H 1 7.5987 0.01 . 1 . . . A 107 LYS H . 18099 1 640 . 1 1 130 130 LYS C C 13 178.6674 0.2 . 1 . . . A 107 LYS C . 18099 1 641 . 1 1 130 130 LYS CA C 13 60.0530 0.2 . 1 . . . A 107 LYS CA . 18099 1 642 . 1 1 130 130 LYS CB C 13 33.0614 0.2 . 1 . . . A 107 LYS CB . 18099 1 643 . 1 1 130 130 LYS N N 15 119.6767 0.1 . 1 . . . A 107 LYS N . 18099 1 644 . 1 1 131 131 SER H H 1 8.4695 0.01 . 1 . . . A 108 SER H . 18099 1 645 . 1 1 131 131 SER C C 13 175.5135 0.2 . 1 . . . A 108 SER C . 18099 1 646 . 1 1 131 131 SER CA C 13 61.8574 0.2 . 1 . . . A 108 SER CA . 18099 1 647 . 1 1 131 131 SER CB C 13 63.0681 0.2 . 1 . . . A 108 SER CB . 18099 1 648 . 1 1 131 131 SER N N 15 113.1165 0.1 . 1 . . . A 108 SER N . 18099 1 649 . 1 1 132 132 HIS H H 1 7.9907 0.01 . 1 . . . A 109 HIS H . 18099 1 650 . 1 1 132 132 HIS C C 13 178.1430 0.2 . 1 . . . A 109 HIS C . 18099 1 651 . 1 1 132 132 HIS CA C 13 59.2721 0.2 . 1 . . . A 109 HIS CA . 18099 1 652 . 1 1 132 132 HIS CB C 13 29.8798 0.2 . 1 . . . A 109 HIS CB . 18099 1 653 . 1 1 132 132 HIS N N 15 123.1755 0.1 . 1 . . . A 109 HIS N . 18099 1 654 . 1 1 133 133 TYR H H 1 8.0601 0.01 . 1 . . . A 110 TYR H . 18099 1 655 . 1 1 133 133 TYR C C 13 177.9455 0.2 . 1 . . . A 110 TYR C . 18099 1 656 . 1 1 133 133 TYR CA C 13 63.4750 0.2 . 1 . . . A 110 TYR CA . 18099 1 657 . 1 1 133 133 TYR CB C 13 37.7569 0.2 . 1 . . . A 110 TYR CB . 18099 1 658 . 1 1 133 133 TYR N N 15 115.5948 0.1 . 1 . . . A 110 TYR N . 18099 1 659 . 1 1 134 134 ALA H H 1 8.2934 0.01 . 1 . . . A 111 ALA H . 18099 1 660 . 1 1 134 134 ALA C C 13 175.9370 0.2 . 1 . . . A 111 ALA C . 18099 1 661 . 1 1 134 134 ALA CA C 13 55.1935 0.2 . 1 . . . A 111 ALA CA . 18099 1 662 . 1 1 134 134 ALA CB C 13 17.7979 0.2 . 1 . . . A 111 ALA CB . 18099 1 663 . 1 1 134 134 ALA N N 15 122.0093 0.1 . 1 . . . A 111 ALA N . 18099 1 664 . 1 1 135 135 PHE H H 1 7.5887 0.01 . 1 . . . A 112 PHE H . 18099 1 665 . 1 1 135 135 PHE C C 13 175.7097 0.2 . 1 . . . A 112 PHE C . 18099 1 666 . 1 1 135 135 PHE CA C 13 61.7058 0.2 . 1 . . . A 112 PHE CA . 18099 1 667 . 1 1 135 135 PHE CB C 13 38.1403 0.2 . 1 . . . A 112 PHE CB . 18099 1 668 . 1 1 135 135 PHE N N 15 116.6153 0.1 . 1 . . . A 112 PHE N . 18099 1 669 . 1 1 136 136 ARG H H 1 7.0899 0.01 . 1 . . . A 113 ARG H . 18099 1 670 . 1 1 136 136 ARG C C 13 179.4713 0.2 . 1 . . . A 113 ARG C . 18099 1 671 . 1 1 136 136 ARG CA C 13 58.1956 0.2 . 1 . . . A 113 ARG CA . 18099 1 672 . 1 1 136 136 ARG CB C 13 28.9740 0.2 . 1 . . . A 113 ARG CB . 18099 1 673 . 1 1 136 136 ARG N N 15 113.2623 0.1 . 1 . . . A 113 ARG N . 18099 1 674 . 1 1 137 137 ILE H H 1 7.7030 0.01 . 1 . . . A 114 ILE H . 18099 1 675 . 1 1 137 137 ILE HD11 H 1 0.8001 0.01 . 1 . . . A 114 ILE HD11 . 18099 1 676 . 1 1 137 137 ILE HD12 H 1 0.8001 0.01 . 1 . . . A 114 ILE HD12 . 18099 1 677 . 1 1 137 137 ILE HD13 H 1 0.8001 0.01 . 1 . . . A 114 ILE HD13 . 18099 1 678 . 1 1 137 137 ILE C C 13 176.1979 0.2 . 1 . . . A 114 ILE C . 18099 1 679 . 1 1 137 137 ILE CA C 13 64.4222 0.2 . 1 . . . A 114 ILE CA . 18099 1 680 . 1 1 137 137 ILE CB C 13 35.6876 0.2 . 1 . . . A 114 ILE CB . 18099 1 681 . 1 1 137 137 ILE CD1 C 13 15.4518 0.2 . 1 . . . A 114 ILE CD1 . 18099 1 682 . 1 1 137 137 ILE N N 15 120.8430 0.1 . 1 . . . A 114 ILE N . 18099 1 683 . 1 1 138 138 PHE H H 1 7.1846 0.01 . 1 . . . A 115 PHE H . 18099 1 684 . 1 1 138 138 PHE C C 13 173.1571 0.2 . 1 . . . A 115 PHE C . 18099 1 685 . 1 1 138 138 PHE CA C 13 54.4715 0.2 . 1 . . . A 115 PHE CA . 18099 1 686 . 1 1 138 138 PHE CB C 13 35.9273 0.2 . 1 . . . A 115 PHE CB . 18099 1 687 . 1 1 138 138 PHE N N 15 117.6358 0.1 . 1 . . . A 115 PHE N . 18099 1 688 . 1 1 139 139 ASP H H 1 6.8563 0.01 . 1 . . . A 116 ASP H . 18099 1 689 . 1 1 139 139 ASP C C 13 176.4371 0.2 . 1 . . . A 116 ASP C . 18099 1 690 . 1 1 139 139 ASP CA C 13 50.8606 0.2 . 1 . . . A 116 ASP CA . 18099 1 691 . 1 1 139 139 ASP CB C 13 37.0142 0.2 . 1 . . . A 116 ASP CB . 18099 1 692 . 1 1 139 139 ASP N N 15 118.3647 0.1 . 1 . . . A 116 ASP N . 18099 1 693 . 1 1 140 140 PHE H H 1 7.4624 0.01 . 1 . . . A 117 PHE H . 18099 1 694 . 1 1 140 140 PHE C C 13 176.6202 0.2 . 1 . . . A 117 PHE C . 18099 1 695 . 1 1 140 140 PHE CA C 13 62.4100 0.2 . 1 . . . A 117 PHE CA . 18099 1 696 . 1 1 140 140 PHE CB C 13 39.2544 0.2 . 1 . . . A 117 PHE CB . 18099 1 697 . 1 1 140 140 PHE N N 15 121.8635 0.1 . 1 . . . A 117 PHE N . 18099 1 698 . 1 1 141 141 ASP H H 1 8.0476 0.01 . 1 . . . A 118 ASP H . 18099 1 699 . 1 1 141 141 ASP C C 13 176.2062 0.2 . 1 . . . A 118 ASP C . 18099 1 700 . 1 1 141 141 ASP CA C 13 52.5341 0.2 . 1 . . . A 118 ASP CA . 18099 1 701 . 1 1 141 141 ASP CB C 13 39.2122 0.2 . 1 . . . A 118 ASP CB . 18099 1 702 . 1 1 141 141 ASP N N 15 114.8659 0.1 . 1 . . . A 118 ASP N . 18099 1 703 . 1 1 142 142 ASP H H 1 8.1442 0.01 . 1 . . . A 119 ASP H . 18099 1 704 . 1 1 142 142 ASP C C 13 175.3864 0.2 . 1 . . . A 119 ASP C . 18099 1 705 . 1 1 142 142 ASP CA C 13 56.3638 0.2 . 1 . . . A 119 ASP CA . 18099 1 706 . 1 1 142 142 ASP CB C 13 40.0753 0.2 . 1 . . . A 119 ASP CB . 18099 1 707 . 1 1 142 142 ASP N N 15 116.7611 0.1 . 1 . . . A 119 ASP N . 18099 1 708 . 1 1 143 143 ASP H H 1 8.1236 0.01 . 1 . . . A 120 ASP H . 18099 1 709 . 1 1 143 143 ASP C C 13 178.4041 0.2 . 1 . . . A 120 ASP C . 18099 1 710 . 1 1 143 143 ASP CA C 13 53.9334 0.2 . 1 . . . A 120 ASP CA . 18099 1 711 . 1 1 143 143 ASP CB C 13 40.9276 0.2 . 1 . . . A 120 ASP CB . 18099 1 712 . 1 1 143 143 ASP N N 15 119.0936 0.1 . 1 . . . A 120 ASP N . 18099 1 713 . 1 1 144 144 GLY H H 1 10.9711 0.01 . 1 . . . A 121 GLY H . 18099 1 714 . 1 1 144 144 GLY C C 13 173.5715 0.2 . 1 . . . A 121 GLY C . 18099 1 715 . 1 1 144 144 GLY CA C 13 45.1721 0.2 . 1 . . . A 121 GLY CA . 18099 1 716 . 1 1 144 144 GLY N N 15 115.3033 0.1 . 1 . . . A 121 GLY N . 18099 1 717 . 1 1 145 145 THR H H 1 7.7278 0.01 . 1 . . . A 122 THR H . 18099 1 718 . 1 1 145 145 THR C C 13 173.0287 0.2 . 1 . . . A 122 THR C . 18099 1 719 . 1 1 145 145 THR CA C 13 59.9436 0.2 . 1 . . . A 122 THR CA . 18099 1 720 . 1 1 145 145 THR CB C 13 72.3451 0.2 . 1 . . . A 122 THR CB . 18099 1 721 . 1 1 145 145 THR N N 15 110.9298 0.1 . 1 . . . A 122 THR N . 18099 1 722 . 1 1 146 146 LEU H H 1 9.6269 0.01 . 1 . . . A 123 LEU H . 18099 1 723 . 1 1 146 146 LEU HD11 H 1 0.6901 0.01 . 2 . . . A 123 LEU HD11 . 18099 1 724 . 1 1 146 146 LEU HD12 H 1 0.6901 0.01 . 2 . . . A 123 LEU HD12 . 18099 1 725 . 1 1 146 146 LEU HD13 H 1 0.6901 0.01 . 2 . . . A 123 LEU HD13 . 18099 1 726 . 1 1 146 146 LEU HD21 H 1 0.1578 0.01 . 2 . . . A 123 LEU HD21 . 18099 1 727 . 1 1 146 146 LEU HD22 H 1 0.1578 0.01 . 2 . . . A 123 LEU HD22 . 18099 1 728 . 1 1 146 146 LEU HD23 H 1 0.1578 0.01 . 2 . . . A 123 LEU HD23 . 18099 1 729 . 1 1 146 146 LEU C C 13 175.8148 0.2 . 1 . . . A 123 LEU C . 18099 1 730 . 1 1 146 146 LEU CA C 13 53.3726 0.2 . 1 . . . A 123 LEU CA . 18099 1 731 . 1 1 146 146 LEU CB C 13 39.9053 0.2 . 1 . . . A 123 LEU CB . 18099 1 732 . 1 1 146 146 LEU CD1 C 13 24.5427 0.2 . 2 . . . A 123 LEU CD1 . 18099 1 733 . 1 1 146 146 LEU CD2 C 13 21.0662 0.2 . 2 . . . A 123 LEU CD2 . 18099 1 734 . 1 1 146 146 LEU N N 15 125.5080 0.1 . 1 . . . A 123 LEU N . 18099 1 735 . 1 1 147 147 ASN H H 1 8.6998 0.01 . 1 . . . A 124 ASN H . 18099 1 736 . 1 1 147 147 ASN CA C 13 49.5323 0.2 . 1 . . . A 124 ASN CA . 18099 1 737 . 1 1 147 147 ASN CB C 13 39.3149 0.2 . 1 . . . A 124 ASN CB . 18099 1 738 . 1 1 147 147 ASN N N 15 123.9044 0.1 . 1 . . . A 124 ASN N . 18099 1 739 . 1 1 148 148 ARG C C 13 178.3306 0.2 . 1 . . . A 125 ARG C . 18099 1 740 . 1 1 148 148 ARG CA C 13 60.9011 0.2 . 1 . . . A 125 ARG CA . 18099 1 741 . 1 1 148 148 ARG CB C 13 29.2684 0.2 . 1 . . . A 125 ARG CB . 18099 1 742 . 1 1 149 149 GLU H H 1 7.6794 0.01 . 1 . . . A 126 GLU H . 18099 1 743 . 1 1 149 149 GLU C C 13 179.5368 0.2 . 1 . . . A 126 GLU C . 18099 1 744 . 1 1 149 149 GLU CA C 13 59.2912 0.2 . 1 . . . A 126 GLU CA . 18099 1 745 . 1 1 149 149 GLU CB C 13 27.9938 0.2 . 1 . . . A 126 GLU CB . 18099 1 746 . 1 1 149 149 GLU N N 15 120.1141 0.1 . 1 . . . A 126 GLU N . 18099 1 747 . 1 1 150 150 ASP H H 1 8.2420 0.01 . 1 . . . A 127 ASP H . 18099 1 748 . 1 1 150 150 ASP C C 13 180.5439 0.2 . 1 . . . A 127 ASP C . 18099 1 749 . 1 1 150 150 ASP CA C 13 58.1016 0.2 . 1 . . . A 127 ASP CA . 18099 1 750 . 1 1 150 150 ASP CB C 13 40.5783 0.2 . 1 . . . A 127 ASP CB . 18099 1 751 . 1 1 150 150 ASP N N 15 122.0093 0.1 . 1 . . . A 127 ASP N . 18099 1 752 . 1 1 151 151 LEU HD11 H 1 0.8817 0.01 . 2 . . . A 128 LEU HD11 . 18099 1 753 . 1 1 151 151 LEU HD12 H 1 0.8817 0.01 . 2 . . . A 128 LEU HD12 . 18099 1 754 . 1 1 151 151 LEU HD13 H 1 0.8817 0.01 . 2 . . . A 128 LEU HD13 . 18099 1 755 . 1 1 151 151 LEU HD21 H 1 0.8761 0.01 . 2 . . . A 128 LEU HD21 . 18099 1 756 . 1 1 151 151 LEU HD22 H 1 0.8761 0.01 . 2 . . . A 128 LEU HD22 . 18099 1 757 . 1 1 151 151 LEU HD23 H 1 0.8761 0.01 . 2 . . . A 128 LEU HD23 . 18099 1 758 . 1 1 151 151 LEU C C 13 178.2512 0.2 . 1 . . . A 128 LEU C . 18099 1 759 . 1 1 151 151 LEU CA C 13 57.1144 0.2 . 1 . . . A 128 LEU CA . 18099 1 760 . 1 1 151 151 LEU CB C 13 41.1483 0.2 . 1 . . . A 128 LEU CB . 18099 1 761 . 1 1 151 151 LEU CD1 C 13 24.9802 0.2 . 2 . . . A 128 LEU CD1 . 18099 1 762 . 1 1 151 151 LEU CD2 C 13 24.0442 0.2 . 2 . . . A 128 LEU CD2 . 18099 1 763 . 1 1 152 152 SER H H 1 8.2928 0.01 . 1 . . . A 129 SER H . 18099 1 764 . 1 1 152 152 SER C C 13 176.5993 0.2 . 1 . . . A 129 SER C . 18099 1 765 . 1 1 152 152 SER CA C 13 61.1133 0.2 . 1 . . . A 129 SER CA . 18099 1 766 . 1 1 152 152 SER CB C 13 62.5311 0.2 . 1 . . . A 129 SER CB . 18099 1 767 . 1 1 152 152 SER N N 15 116.3237 0.1 . 1 . . . A 129 SER N . 18099 1 768 . 1 1 153 153 ARG H H 1 7.5902 0.01 . 1 . . . A 130 ARG H . 18099 1 769 . 1 1 153 153 ARG C C 13 179.0871 0.2 . 1 . . . A 130 ARG C . 18099 1 770 . 1 1 153 153 ARG CA C 13 58.9614 0.2 . 1 . . . A 130 ARG CA . 18099 1 771 . 1 1 153 153 ARG CB C 13 27.7514 0.2 . 1 . . . A 130 ARG CB . 18099 1 772 . 1 1 153 153 ARG N N 15 122.1550 0.1 . 1 . . . A 130 ARG N . 18099 1 773 . 1 1 154 154 LEU H H 1 8.3074 0.01 . 1 . . . A 131 LEU H . 18099 1 774 . 1 1 154 154 LEU HD11 H 1 0.4362 0.01 . 2 . . . A 131 LEU HD11 . 18099 1 775 . 1 1 154 154 LEU HD12 H 1 0.4362 0.01 . 2 . . . A 131 LEU HD12 . 18099 1 776 . 1 1 154 154 LEU HD13 H 1 0.4362 0.01 . 2 . . . A 131 LEU HD13 . 18099 1 777 . 1 1 154 154 LEU HD21 H 1 0.6202 0.01 . 2 . . . A 131 LEU HD21 . 18099 1 778 . 1 1 154 154 LEU HD22 H 1 0.6202 0.01 . 2 . . . A 131 LEU HD22 . 18099 1 779 . 1 1 154 154 LEU HD23 H 1 0.6202 0.01 . 2 . . . A 131 LEU HD23 . 18099 1 780 . 1 1 154 154 LEU C C 13 178.5696 0.2 . 1 . . . A 131 LEU C . 18099 1 781 . 1 1 154 154 LEU CA C 13 58.8538 0.2 . 1 . . . A 131 LEU CA . 18099 1 782 . 1 1 154 154 LEU CB C 13 41.6609 0.2 . 1 . . . A 131 LEU CB . 18099 1 783 . 1 1 154 154 LEU CD1 C 13 25.4899 0.2 . 2 . . . A 131 LEU CD1 . 18099 1 784 . 1 1 154 154 LEU CD2 C 13 24.8584 0.2 . 2 . . . A 131 LEU CD2 . 18099 1 785 . 1 1 154 154 LEU N N 15 122.4466 0.1 . 1 . . . A 131 LEU N . 18099 1 786 . 1 1 155 155 VAL H H 1 8.4385 0.01 . 1 . . . A 132 VAL H . 18099 1 787 . 1 1 155 155 VAL HG11 H 1 0.9728 0.01 . 2 . . . A 132 VAL HG11 . 18099 1 788 . 1 1 155 155 VAL HG12 H 1 0.9728 0.01 . 2 . . . A 132 VAL HG12 . 18099 1 789 . 1 1 155 155 VAL HG13 H 1 0.9728 0.01 . 2 . . . A 132 VAL HG13 . 18099 1 790 . 1 1 155 155 VAL HG21 H 1 1.0334 0.01 . 2 . . . A 132 VAL HG21 . 18099 1 791 . 1 1 155 155 VAL HG22 H 1 1.0334 0.01 . 2 . . . A 132 VAL HG22 . 18099 1 792 . 1 1 155 155 VAL HG23 H 1 1.0334 0.01 . 2 . . . A 132 VAL HG23 . 18099 1 793 . 1 1 155 155 VAL C C 13 178.9478 0.2 . 1 . . . A 132 VAL C . 18099 1 794 . 1 1 155 155 VAL CA C 13 66.4930 0.2 . 1 . . . A 132 VAL CA . 18099 1 795 . 1 1 155 155 VAL CB C 13 30.6934 0.2 . 1 . . . A 132 VAL CB . 18099 1 796 . 1 1 155 155 VAL CG1 C 13 22.1621 0.2 . 2 . . . A 132 VAL CG1 . 18099 1 797 . 1 1 155 155 VAL CG2 C 13 22.4824 0.2 . 2 . . . A 132 VAL CG2 . 18099 1 798 . 1 1 155 155 VAL N N 15 118.8020 0.1 . 1 . . . A 132 VAL N . 18099 1 799 . 1 1 156 156 ASN H H 1 8.0571 0.01 . 1 . . . A 133 ASN H . 18099 1 800 . 1 1 156 156 ASN C C 13 177.9526 0.2 . 1 . . . A 133 ASN C . 18099 1 801 . 1 1 156 156 ASN CA C 13 55.9488 0.2 . 1 . . . A 133 ASN CA . 18099 1 802 . 1 1 156 156 ASN CB C 13 37.8828 0.2 . 1 . . . A 133 ASN CB . 18099 1 803 . 1 1 156 156 ASN N N 15 119.6767 0.1 . 1 . . . A 133 ASN N . 18099 1 804 . 1 1 157 157 CYS H H 1 7.8514 0.01 . 1 . . . A 134 CYS H . 18099 1 805 . 1 1 157 157 CYS C C 13 176.1216 0.2 . 1 . . . A 134 CYS C . 18099 1 806 . 1 1 157 157 CYS CA C 13 62.1892 0.2 . 1 . . . A 134 CYS CA . 18099 1 807 . 1 1 157 157 CYS CB C 13 26.9287 0.2 . 1 . . . A 134 CYS CB . 18099 1 808 . 1 1 157 157 CYS N N 15 118.2189 0.1 . 1 . . . A 134 CYS N . 18099 1 809 . 1 1 158 158 LEU H H 1 7.6906 0.01 . 1 . . . A 135 LEU H . 18099 1 810 . 1 1 158 158 LEU HD11 H 1 0.8104 0.01 . 2 . . . A 135 LEU HD11 . 18099 1 811 . 1 1 158 158 LEU HD12 H 1 0.8104 0.01 . 2 . . . A 135 LEU HD12 . 18099 1 812 . 1 1 158 158 LEU HD13 H 1 0.8104 0.01 . 2 . . . A 135 LEU HD13 . 18099 1 813 . 1 1 158 158 LEU HD21 H 1 0.8823 0.01 . 2 . . . A 135 LEU HD21 . 18099 1 814 . 1 1 158 158 LEU HD22 H 1 0.8823 0.01 . 2 . . . A 135 LEU HD22 . 18099 1 815 . 1 1 158 158 LEU HD23 H 1 0.8823 0.01 . 2 . . . A 135 LEU HD23 . 18099 1 816 . 1 1 158 158 LEU C C 13 178.2313 0.2 . 1 . . . A 135 LEU C . 18099 1 817 . 1 1 158 158 LEU CA C 13 56.1640 0.2 . 1 . . . A 135 LEU CA . 18099 1 818 . 1 1 158 158 LEU CB C 13 41.3118 0.2 . 1 . . . A 135 LEU CB . 18099 1 819 . 1 1 158 158 LEU CD1 C 13 23.7557 0.2 . 2 . . . A 135 LEU CD1 . 18099 1 820 . 1 1 158 158 LEU CD2 C 13 22.7263 0.2 . 2 . . . A 135 LEU CD2 . 18099 1 821 . 1 1 158 158 LEU N N 15 117.7816 0.1 . 1 . . . A 135 LEU N . 18099 1 822 . 1 1 159 159 THR H H 1 7.7847 0.01 . 1 . . . A 136 THR H . 18099 1 823 . 1 1 159 159 THR C C 13 175.7236 0.2 . 1 . . . A 136 THR C . 18099 1 824 . 1 1 159 159 THR CA C 13 62.2968 0.2 . 1 . . . A 136 THR CA . 18099 1 825 . 1 1 159 159 THR CB C 13 69.8000 0.2 . 1 . . . A 136 THR CB . 18099 1 826 . 1 1 159 159 THR N N 15 109.7635 0.1 . 1 . . . A 136 THR N . 18099 1 827 . 1 1 160 160 GLY H H 1 7.7974 0.01 . 1 . . . A 137 GLY H . 18099 1 828 . 1 1 160 160 GLY C C 13 174.2309 0.2 . 1 . . . A 137 GLY C . 18099 1 829 . 1 1 160 160 GLY CA C 13 45.1895 0.2 . 1 . . . A 137 GLY CA . 18099 1 830 . 1 1 160 160 GLY N N 15 110.6382 0.1 . 1 . . . A 137 GLY N . 18099 1 831 . 1 1 161 161 GLU H H 1 8.2392 0.01 . 1 . . . A 138 GLU H . 18099 1 832 . 1 1 161 161 GLU C C 13 177.0431 0.2 . 1 . . . A 138 GLU C . 18099 1 833 . 1 1 161 161 GLU CA C 13 56.4868 0.2 . 1 . . . A 138 GLU CA . 18099 1 834 . 1 1 161 161 GLU CB C 13 29.7159 0.2 . 1 . . . A 138 GLU CB . 18099 1 835 . 1 1 161 161 GLU N N 15 120.2599 0.1 . 1 . . . A 138 GLU N . 18099 1 836 . 1 1 162 162 GLY H H 1 8.2206 0.01 . 1 . . . A 139 GLY H . 18099 1 837 . 1 1 162 162 GLY C C 13 174.4004 0.2 . 1 . . . A 139 GLY C . 18099 1 838 . 1 1 162 162 GLY CA C 13 45.0050 0.2 . 1 . . . A 139 GLY CA . 18099 1 839 . 1 1 162 162 GLY N N 15 109.9093 0.1 . 1 . . . A 139 GLY N . 18099 1 840 . 1 1 164 164 ASP C C 13 176.4798 0.2 . 1 . . . A 141 ASP C . 18099 1 841 . 1 1 164 164 ASP CA C 13 54.6397 0.2 . 1 . . . A 141 ASP CA . 18099 1 842 . 1 1 164 164 ASP CB C 13 40.3844 0.2 . 1 . . . A 141 ASP CB . 18099 1 843 . 1 1 165 165 THR H H 1 7.5848 0.01 . 1 . . . A 142 THR H . 18099 1 844 . 1 1 165 165 THR C C 13 174.2508 0.2 . 1 . . . A 142 THR C . 18099 1 845 . 1 1 165 165 THR CA C 13 61.4361 0.2 . 1 . . . A 142 THR CA . 18099 1 846 . 1 1 165 165 THR CB C 13 69.3642 0.2 . 1 . . . A 142 THR CB . 18099 1 847 . 1 1 165 165 THR N N 15 112.2418 0.1 . 1 . . . A 142 THR N . 18099 1 848 . 1 1 166 166 ARG H H 1 7.8332 0.01 . 1 . . . A 143 ARG H . 18099 1 849 . 1 1 166 166 ARG C C 13 176.3604 0.2 . 1 . . . A 143 ARG C . 18099 1 850 . 1 1 166 166 ARG CA C 13 55.7336 0.2 . 1 . . . A 143 ARG CA . 18099 1 851 . 1 1 166 166 ARG CB C 13 29.9329 0.2 . 1 . . . A 143 ARG CB . 18099 1 852 . 1 1 166 166 ARG N N 15 123.4671 0.1 . 1 . . . A 143 ARG N . 18099 1 853 . 1 1 167 167 LEU H H 1 8.3767 0.01 . 1 . . . A 144 LEU H . 18099 1 854 . 1 1 167 167 LEU HD11 H 1 0.8558 0.01 . 2 . . . A 144 LEU HD11 . 18099 1 855 . 1 1 167 167 LEU HD12 H 1 0.8558 0.01 . 2 . . . A 144 LEU HD12 . 18099 1 856 . 1 1 167 167 LEU HD13 H 1 0.8558 0.01 . 2 . . . A 144 LEU HD13 . 18099 1 857 . 1 1 167 167 LEU HD21 H 1 0.8503 0.01 . 2 . . . A 144 LEU HD21 . 18099 1 858 . 1 1 167 167 LEU HD22 H 1 0.8503 0.01 . 2 . . . A 144 LEU HD22 . 18099 1 859 . 1 1 167 167 LEU HD23 H 1 0.8503 0.01 . 2 . . . A 144 LEU HD23 . 18099 1 860 . 1 1 167 167 LEU C C 13 177.6143 0.2 . 1 . . . A 144 LEU C . 18099 1 861 . 1 1 167 167 LEU CA C 13 54.3349 0.2 . 1 . . . A 144 LEU CA . 18099 1 862 . 1 1 167 167 LEU CB C 13 42.5178 0.2 . 1 . . . A 144 LEU CB . 18099 1 863 . 1 1 167 167 LEU CD1 C 13 25.7683 0.2 . 2 . . . A 144 LEU CD1 . 18099 1 864 . 1 1 167 167 LEU CD2 C 13 23.1132 0.2 . 2 . . . A 144 LEU CD2 . 18099 1 865 . 1 1 167 167 LEU N N 15 124.3418 0.1 . 1 . . . A 144 LEU N . 18099 1 866 . 1 1 168 168 SER H H 1 8.9355 0.01 . 1 . . . A 145 SER H . 18099 1 867 . 1 1 168 168 SER C C 13 174.7483 0.2 . 1 . . . A 145 SER C . 18099 1 868 . 1 1 168 168 SER CA C 13 57.1323 0.2 . 1 . . . A 145 SER CA . 18099 1 869 . 1 1 168 168 SER CB C 13 64.8817 0.2 . 1 . . . A 145 SER CB . 18099 1 870 . 1 1 168 168 SER N N 15 119.3852 0.1 . 1 . . . A 145 SER N . 18099 1 871 . 1 1 170 170 SER C C 13 177.2958 0.2 . 1 . . . A 147 SER C . 18099 1 872 . 1 1 170 170 SER CA C 13 60.6650 0.2 . 1 . . . A 147 SER CA . 18099 1 873 . 1 1 170 170 SER CB C 13 62.1082 0.2 . 1 . . . A 147 SER CB . 18099 1 874 . 1 1 171 171 GLU H H 1 7.6447 0.01 . 1 . . . A 148 GLU H . 18099 1 875 . 1 1 171 171 GLU C C 13 179.5249 0.2 . 1 . . . A 148 GLU C . 18099 1 876 . 1 1 171 171 GLU CA C 13 58.6386 0.2 . 1 . . . A 148 GLU CA . 18099 1 877 . 1 1 171 171 GLU CB C 13 29.6071 0.2 . 1 . . . A 148 GLU CB . 18099 1 878 . 1 1 171 171 GLU N N 15 124.4876 0.1 . 1 . . . A 148 GLU N . 18099 1 879 . 1 1 172 172 MET H H 1 8.6300 0.01 . 1 . . . A 149 MET H . 18099 1 880 . 1 1 172 172 MET C C 13 177.1167 0.2 . 1 . . . A 149 MET C . 18099 1 881 . 1 1 172 172 MET CA C 13 58.5010 0.2 . 1 . . . A 149 MET CA . 18099 1 882 . 1 1 172 172 MET CB C 13 31.4175 0.2 . 1 . . . A 149 MET CB . 18099 1 883 . 1 1 172 172 MET N N 15 120.2599 0.1 . 1 . . . A 149 MET N . 18099 1 884 . 1 1 173 173 LYS H H 1 7.7327 0.01 . 1 . . . A 150 LYS H . 18099 1 885 . 1 1 173 173 LYS C C 13 178.0123 0.2 . 1 . . . A 150 LYS C . 18099 1 886 . 1 1 173 173 LYS CA C 13 59.6070 0.2 . 1 . . . A 150 LYS CA . 18099 1 887 . 1 1 173 173 LYS CB C 13 31.3778 0.2 . 1 . . . A 150 LYS CB . 18099 1 888 . 1 1 173 173 LYS N N 15 119.2394 0.1 . 1 . . . A 150 LYS N . 18099 1 889 . 1 1 174 174 GLN H H 1 7.5130 0.01 . 1 . . . A 151 GLN H . 18099 1 890 . 1 1 174 174 GLN C C 13 178.1716 0.2 . 1 . . . A 151 GLN C . 18099 1 891 . 1 1 174 174 GLN CA C 13 58.3159 0.2 . 1 . . . A 151 GLN CA . 18099 1 892 . 1 1 174 174 GLN CB C 13 28.1068 0.2 . 1 . . . A 151 GLN CB . 18099 1 893 . 1 1 174 174 GLN N N 15 116.9069 0.1 . 1 . . . A 151 GLN N . 18099 1 894 . 1 1 175 175 LEU H H 1 7.8194 0.01 . 1 . . . A 152 LEU H . 18099 1 895 . 1 1 175 175 LEU HD11 H 1 0.9255 0.01 . 2 . . . A 152 LEU HD11 . 18099 1 896 . 1 1 175 175 LEU HD12 H 1 0.9255 0.01 . 2 . . . A 152 LEU HD12 . 18099 1 897 . 1 1 175 175 LEU HD13 H 1 0.9255 0.01 . 2 . . . A 152 LEU HD13 . 18099 1 898 . 1 1 175 175 LEU HD21 H 1 0.9710 0.01 . 2 . . . A 152 LEU HD21 . 18099 1 899 . 1 1 175 175 LEU HD22 H 1 0.9710 0.01 . 2 . . . A 152 LEU HD22 . 18099 1 900 . 1 1 175 175 LEU HD23 H 1 0.9710 0.01 . 2 . . . A 152 LEU HD23 . 18099 1 901 . 1 1 175 175 LEU C C 13 179.2264 0.2 . 1 . . . A 152 LEU C . 18099 1 902 . 1 1 175 175 LEU CA C 13 58.1502 0.2 . 1 . . . A 152 LEU CA . 18099 1 903 . 1 1 175 175 LEU CB C 13 40.9933 0.2 . 1 . . . A 152 LEU CB . 18099 1 904 . 1 1 175 175 LEU CD1 C 13 25.2746 0.2 . 2 . . . A 152 LEU CD1 . 18099 1 905 . 1 1 175 175 LEU CD2 C 13 24.1828 0.2 . 2 . . . A 152 LEU CD2 . 18099 1 906 . 1 1 175 175 LEU N N 15 120.9888 0.1 . 1 . . . A 152 LEU N . 18099 1 907 . 1 1 176 176 ILE H H 1 8.2100 0.01 . 1 . . . A 153 ILE H . 18099 1 908 . 1 1 176 176 ILE HD11 H 1 0.7717 0.01 . 1 . . . A 153 ILE HD11 . 18099 1 909 . 1 1 176 176 ILE HD12 H 1 0.7717 0.01 . 1 . . . A 153 ILE HD12 . 18099 1 910 . 1 1 176 176 ILE HD13 H 1 0.7717 0.01 . 1 . . . A 153 ILE HD13 . 18099 1 911 . 1 1 176 176 ILE C C 13 177.8929 0.2 . 1 . . . A 153 ILE C . 18099 1 912 . 1 1 176 176 ILE CA C 13 65.3094 0.2 . 1 . . . A 153 ILE CA . 18099 1 913 . 1 1 176 176 ILE CB C 13 36.8664 0.2 . 1 . . . A 153 ILE CB . 18099 1 914 . 1 1 176 176 ILE CD1 C 13 13.3710 0.2 . 1 . . . A 153 ILE CD1 . 18099 1 915 . 1 1 176 176 ILE N N 15 119.8225 0.1 . 1 . . . A 153 ILE N . 18099 1 916 . 1 1 177 177 ASP H H 1 8.5814 0.01 . 1 . . . A 154 ASP H . 18099 1 917 . 1 1 177 177 ASP C C 13 179.6045 0.2 . 1 . . . A 154 ASP C . 18099 1 918 . 1 1 177 177 ASP CA C 13 57.4532 0.2 . 1 . . . A 154 ASP CA . 18099 1 919 . 1 1 177 177 ASP CB C 13 38.9490 0.2 . 1 . . . A 154 ASP CB . 18099 1 920 . 1 1 177 177 ASP N N 15 120.1141 0.1 . 1 . . . A 154 ASP N . 18099 1 921 . 1 1 178 178 ASN H H 1 8.1499 0.01 . 1 . . . A 155 ASN H . 18099 1 922 . 1 1 178 178 ASN C C 13 177.8133 0.2 . 1 . . . A 155 ASN C . 18099 1 923 . 1 1 178 178 ASN CA C 13 56.1640 0.2 . 1 . . . A 155 ASN CA . 18099 1 924 . 1 1 178 178 ASN CB C 13 38.0683 0.2 . 1 . . . A 155 ASN CB . 18099 1 925 . 1 1 178 178 ASN N N 15 120.1141 0.1 . 1 . . . A 155 ASN N . 18099 1 926 . 1 1 179 179 ILE H H 1 8.3598 0.01 . 1 . . . A 156 ILE H . 18099 1 927 . 1 1 179 179 ILE HD11 H 1 0.6694 0.01 . 1 . . . A 156 ILE HD11 . 18099 1 928 . 1 1 179 179 ILE HD12 H 1 0.6694 0.01 . 1 . . . A 156 ILE HD12 . 18099 1 929 . 1 1 179 179 ILE HD13 H 1 0.6694 0.01 . 1 . . . A 156 ILE HD13 . 18099 1 930 . 1 1 179 179 ILE C C 13 180.1817 0.2 . 1 . . . A 156 ILE C . 18099 1 931 . 1 1 179 179 ILE CA C 13 65.2018 0.2 . 1 . . . A 156 ILE CA . 18099 1 932 . 1 1 179 179 ILE CB C 13 37.5158 0.2 . 1 . . . A 156 ILE CB . 18099 1 933 . 1 1 179 179 ILE CD1 C 13 13.7579 0.2 . 1 . . . A 156 ILE CD1 . 18099 1 934 . 1 1 179 179 ILE N N 15 122.3008 0.1 . 1 . . . A 156 ILE N . 18099 1 935 . 1 1 180 180 LEU H H 1 8.2825 0.01 . 1 . . . A 157 LEU H . 18099 1 936 . 1 1 180 180 LEU HD11 H 1 0.8980 0.01 . 2 . . . A 157 LEU HD11 . 18099 1 937 . 1 1 180 180 LEU HD12 H 1 0.8980 0.01 . 2 . . . A 157 LEU HD12 . 18099 1 938 . 1 1 180 180 LEU HD13 H 1 0.8980 0.01 . 2 . . . A 157 LEU HD13 . 18099 1 939 . 1 1 180 180 LEU HD21 H 1 0.7147 0.01 . 2 . . . A 157 LEU HD21 . 18099 1 940 . 1 1 180 180 LEU HD22 H 1 0.7147 0.01 . 2 . . . A 157 LEU HD22 . 18099 1 941 . 1 1 180 180 LEU HD23 H 1 0.7147 0.01 . 2 . . . A 157 LEU HD23 . 18099 1 942 . 1 1 180 180 LEU C C 13 178.8586 0.2 . 1 . . . A 157 LEU C . 18099 1 943 . 1 1 180 180 LEU CA C 13 58.1007 0.2 . 1 . . . A 157 LEU CA . 18099 1 944 . 1 1 180 180 LEU CB C 13 40.1326 0.2 . 1 . . . A 157 LEU CB . 18099 1 945 . 1 1 180 180 LEU CD1 C 13 25.9237 0.2 . 2 . . . A 157 LEU CD1 . 18099 1 946 . 1 1 180 180 LEU CD2 C 13 22.5589 0.2 . 2 . . . A 157 LEU CD2 . 18099 1 947 . 1 1 180 180 LEU N N 15 121.8635 0.1 . 1 . . . A 157 LEU N . 18099 1 948 . 1 1 181 181 GLU H H 1 8.4647 0.01 . 1 . . . A 158 GLU H . 18099 1 949 . 1 1 181 181 GLU C C 13 179.0617 0.2 . 1 . . . A 158 GLU C . 18099 1 950 . 1 1 181 181 GLU CA C 13 59.1835 0.2 . 1 . . . A 158 GLU CA . 18099 1 951 . 1 1 181 181 GLU CB C 13 28.6874 0.2 . 1 . . . A 158 GLU CB . 18099 1 952 . 1 1 181 181 GLU N N 15 120.8430 0.1 . 1 . . . A 158 GLU N . 18099 1 953 . 1 1 182 182 GLU H H 1 7.6512 0.01 . 1 . . . A 159 GLU H . 18099 1 954 . 1 1 182 182 GLU C C 13 178.0900 0.2 . 1 . . . A 159 GLU C . 18099 1 955 . 1 1 182 182 GLU CA C 13 57.5436 0.2 . 1 . . . A 159 GLU CA . 18099 1 956 . 1 1 182 182 GLU CB C 13 30.1152 0.2 . 1 . . . A 159 GLU CB . 18099 1 957 . 1 1 182 182 GLU N N 15 114.5744 0.1 . 1 . . . A 159 GLU N . 18099 1 958 . 1 1 183 183 SER H H 1 7.6703 0.01 . 1 . . . A 160 SER H . 18099 1 959 . 1 1 183 183 SER C C 13 174.3094 0.2 . 1 . . . A 160 SER C . 18099 1 960 . 1 1 183 183 SER CA C 13 59.2523 0.2 . 1 . . . A 160 SER CA . 18099 1 961 . 1 1 183 183 SER CB C 13 65.3115 0.2 . 1 . . . A 160 SER CB . 18099 1 962 . 1 1 183 183 SER N N 15 110.4924 0.1 . 1 . . . A 160 SER N . 18099 1 963 . 1 1 184 184 ASP H H 1 8.4369 0.01 . 1 . . . A 161 ASP H . 18099 1 964 . 1 1 184 184 ASP C C 13 177.1904 0.2 . 1 . . . A 161 ASP C . 18099 1 965 . 1 1 184 184 ASP CA C 13 52.4172 0.2 . 1 . . . A 161 ASP CA . 18099 1 966 . 1 1 184 184 ASP CB C 13 38.9546 0.2 . 1 . . . A 161 ASP CB . 18099 1 967 . 1 1 184 184 ASP N N 15 120.5514 0.1 . 1 . . . A 161 ASP N . 18099 1 968 . 1 1 185 185 ILE H H 1 7.5883 0.01 . 1 . . . A 162 ILE H . 18099 1 969 . 1 1 185 185 ILE HD11 H 1 0.7350 0.01 . 1 . . . A 162 ILE HD11 . 18099 1 970 . 1 1 185 185 ILE HD12 H 1 0.7350 0.01 . 1 . . . A 162 ILE HD12 . 18099 1 971 . 1 1 185 185 ILE HD13 H 1 0.7350 0.01 . 1 . . . A 162 ILE HD13 . 18099 1 972 . 1 1 185 185 ILE C C 13 177.8777 0.2 . 1 . . . A 162 ILE C . 18099 1 973 . 1 1 185 185 ILE CA C 13 63.5560 0.2 . 1 . . . A 162 ILE CA . 18099 1 974 . 1 1 185 185 ILE CB C 13 37.0988 0.2 . 1 . . . A 162 ILE CB . 18099 1 975 . 1 1 185 185 ILE CD1 C 13 11.3884 0.2 . 1 . . . A 162 ILE CD1 . 18099 1 976 . 1 1 185 185 ILE N N 15 126.8201 0.1 . 1 . . . A 162 ILE N . 18099 1 977 . 1 1 186 186 ASP H H 1 8.2472 0.01 . 1 . . . A 163 ASP H . 18099 1 978 . 1 1 186 186 ASP C C 13 176.1705 0.2 . 1 . . . A 163 ASP C . 18099 1 979 . 1 1 186 186 ASP CA C 13 53.2526 0.2 . 1 . . . A 163 ASP CA . 18099 1 980 . 1 1 186 186 ASP CB C 13 38.7802 0.2 . 1 . . . A 163 ASP CB . 18099 1 981 . 1 1 186 186 ASP N N 15 116.6153 0.1 . 1 . . . A 163 ASP N . 18099 1 982 . 1 1 187 187 ARG H H 1 7.5967 0.01 . 1 . . . A 164 ARG H . 18099 1 983 . 1 1 187 187 ARG C C 13 176.0858 0.2 . 1 . . . A 164 ARG C . 18099 1 984 . 1 1 187 187 ARG CA C 13 56.5380 0.2 . 1 . . . A 164 ARG CA . 18099 1 985 . 1 1 187 187 ARG CB C 13 25.5272 0.2 . 1 . . . A 164 ARG CB . 18099 1 986 . 1 1 187 187 ARG N N 15 115.3033 0.1 . 1 . . . A 164 ARG N . 18099 1 987 . 1 1 188 188 ASP H H 1 8.6031 0.01 . 1 . . . A 165 ASP H . 18099 1 988 . 1 1 188 188 ASP C C 13 177.7313 0.2 . 1 . . . A 165 ASP C . 18099 1 989 . 1 1 188 188 ASP CA C 13 53.6361 0.2 . 1 . . . A 165 ASP CA . 18099 1 990 . 1 1 188 188 ASP CB C 13 40.3113 0.2 . 1 . . . A 165 ASP CB . 18099 1 991 . 1 1 188 188 ASP N N 15 120.5514 0.1 . 1 . . . A 165 ASP N . 18099 1 992 . 1 1 189 189 GLY H H 1 10.4340 0.01 . 1 . . . A 166 GLY H . 18099 1 993 . 1 1 189 189 GLY C C 13 173.2199 0.2 . 1 . . . A 166 GLY C . 18099 1 994 . 1 1 189 189 GLY CA C 13 44.9310 0.2 . 1 . . . A 166 GLY CA . 18099 1 995 . 1 1 189 189 GLY N N 15 114.2828 0.1 . 1 . . . A 166 GLY N . 18099 1 996 . 1 1 190 190 THR H H 1 8.0870 0.01 . 1 . . . A 167 THR H . 18099 1 997 . 1 1 190 190 THR C C 13 173.7934 0.2 . 1 . . . A 167 THR C . 18099 1 998 . 1 1 190 190 THR CA C 13 59.0537 0.2 . 1 . . . A 167 THR CA . 18099 1 999 . 1 1 190 190 THR CB C 13 72.4825 0.2 . 1 . . . A 167 THR CB . 18099 1 1000 . 1 1 190 190 THR N N 15 110.2009 0.1 . 1 . . . A 167 THR N . 18099 1 1001 . 1 1 191 191 ILE H H 1 9.2752 0.01 . 1 . . . A 168 ILE H . 18099 1 1002 . 1 1 191 191 ILE HD11 H 1 0.9106 0.01 . 1 . . . A 168 ILE HD11 . 18099 1 1003 . 1 1 191 191 ILE HD12 H 1 0.9106 0.01 . 1 . . . A 168 ILE HD12 . 18099 1 1004 . 1 1 191 191 ILE HD13 H 1 0.9106 0.01 . 1 . . . A 168 ILE HD13 . 18099 1 1005 . 1 1 191 191 ILE C C 13 175.6845 0.2 . 1 . . . A 168 ILE C . 18099 1 1006 . 1 1 191 191 ILE CA C 13 59.0765 0.2 . 1 . . . A 168 ILE CA . 18099 1 1007 . 1 1 191 191 ILE CB C 13 38.4060 0.2 . 1 . . . A 168 ILE CB . 18099 1 1008 . 1 1 191 191 ILE CD1 C 13 14.2194 0.2 . 1 . . . A 168 ILE CD1 . 18099 1 1009 . 1 1 191 191 ILE N N 15 124.7791 0.1 . 1 . . . A 168 ILE N . 18099 1 1010 . 1 1 192 192 ASN H H 1 9.1543 0.01 . 1 . . . A 169 ASN H . 18099 1 1011 . 1 1 192 192 ASN C C 13 175.0946 0.2 . 1 . . . A 169 ASN C . 18099 1 1012 . 1 1 192 192 ASN CA C 13 50.9520 0.2 . 1 . . . A 169 ASN CA . 18099 1 1013 . 1 1 192 192 ASN CB C 13 38.2058 0.2 . 1 . . . A 169 ASN CB . 18099 1 1014 . 1 1 192 192 ASN N N 15 109.1804 0.1 . 1 . . . A 169 ASN N . 18099 1 1015 . 1 1 193 193 LEU H H 1 8.1619 0.01 . 1 . . . A 170 LEU H . 18099 1 1016 . 1 1 193 193 LEU HD11 H 1 0.4132 0.01 . 2 . . . A 170 LEU HD11 . 18099 1 1017 . 1 1 193 193 LEU HD12 H 1 0.4132 0.01 . 2 . . . A 170 LEU HD12 . 18099 1 1018 . 1 1 193 193 LEU HD13 H 1 0.4132 0.01 . 2 . . . A 170 LEU HD13 . 18099 1 1019 . 1 1 193 193 LEU HD21 H 1 0.5102 0.01 . 2 . . . A 170 LEU HD21 . 18099 1 1020 . 1 1 193 193 LEU HD22 H 1 0.5102 0.01 . 2 . . . A 170 LEU HD22 . 18099 1 1021 . 1 1 193 193 LEU HD23 H 1 0.5102 0.01 . 2 . . . A 170 LEU HD23 . 18099 1 1022 . 1 1 193 193 LEU C C 13 178.1597 0.2 . 1 . . . A 170 LEU C . 18099 1 1023 . 1 1 193 193 LEU CA C 13 58.3823 0.2 . 1 . . . A 170 LEU CA . 18099 1 1024 . 1 1 193 193 LEU CB C 13 40.4777 0.2 . 1 . . . A 170 LEU CB . 18099 1 1025 . 1 1 193 193 LEU CD1 C 13 22.7264 0.2 . 2 . . . A 170 LEU CD1 . 18099 1 1026 . 1 1 193 193 LEU CD2 C 13 25.1381 0.2 . 2 . . . A 170 LEU CD2 . 18099 1 1027 . 1 1 193 193 LEU N N 15 120.6972 0.1 . 1 . . . A 170 LEU N . 18099 1 1028 . 1 1 194 194 SER H H 1 7.8121 0.01 . 1 . . . A 171 SER H . 18099 1 1029 . 1 1 194 194 SER C C 13 178.1236 0.2 . 1 . . . A 171 SER C . 18099 1 1030 . 1 1 194 194 SER CA C 13 60.9009 0.2 . 1 . . . A 171 SER CA . 18099 1 1031 . 1 1 194 194 SER CB C 13 62.3585 0.2 . 1 . . . A 171 SER CB . 18099 1 1032 . 1 1 194 194 SER N N 15 114.2828 0.1 . 1 . . . A 171 SER N . 18099 1 1033 . 1 1 195 195 GLU H H 1 8.5404 0.01 . 1 . . . A 172 GLU H . 18099 1 1034 . 1 1 195 195 GLU C C 13 179.3341 0.2 . 1 . . . A 172 GLU C . 18099 1 1035 . 1 1 195 195 GLU CA C 13 58.8418 0.2 . 1 . . . A 172 GLU CA . 18099 1 1036 . 1 1 195 195 GLU CB C 13 28.7839 0.2 . 1 . . . A 172 GLU CB . 18099 1 1037 . 1 1 195 195 GLU N N 15 124.0502 0.1 . 1 . . . A 172 GLU N . 18099 1 1038 . 1 1 196 196 PHE H H 1 8.7381 0.01 . 1 . . . A 173 PHE H . 18099 1 1039 . 1 1 196 196 PHE C C 13 176.3405 0.2 . 1 . . . A 173 PHE C . 18099 1 1040 . 1 1 196 196 PHE CA C 13 61.1721 0.2 . 1 . . . A 173 PHE CA . 18099 1 1041 . 1 1 196 196 PHE CB C 13 39.6611 0.2 . 1 . . . A 173 PHE CB . 18099 1 1042 . 1 1 196 196 PHE N N 15 121.8635 0.1 . 1 . . . A 173 PHE N . 18099 1 1043 . 1 1 197 197 GLN H H 1 8.9118 0.01 . 1 . . . A 174 GLN H . 18099 1 1044 . 1 1 197 197 GLN C C 13 178.8682 0.2 . 1 . . . A 174 GLN C . 18099 1 1045 . 1 1 197 197 GLN CA C 13 59.0690 0.2 . 1 . . . A 174 GLN CA . 18099 1 1046 . 1 1 197 197 GLN CB C 13 27.5196 0.2 . 1 . . . A 174 GLN CB . 18099 1 1047 . 1 1 197 197 GLN N N 15 117.1984 0.1 . 1 . . . A 174 GLN N . 18099 1 1048 . 1 1 198 198 HIS H H 1 8.1646 0.01 . 1 . . . A 175 HIS H . 18099 1 1049 . 1 1 198 198 HIS C C 13 177.2362 0.2 . 1 . . . A 175 HIS C . 18099 1 1050 . 1 1 198 198 HIS CA C 13 59.7146 0.2 . 1 . . . A 175 HIS CA . 18099 1 1051 . 1 1 198 198 HIS CB C 13 29.5791 0.2 . 1 . . . A 175 HIS CB . 18099 1 1052 . 1 1 198 198 HIS N N 15 120.6972 0.1 . 1 . . . A 175 HIS N . 18099 1 1053 . 1 1 199 199 VAL H H 1 7.6540 0.01 . 1 . . . A 176 VAL H . 18099 1 1054 . 1 1 199 199 VAL HG11 H 1 0.9891 0.01 . 2 . . . A 176 VAL HG11 . 18099 1 1055 . 1 1 199 199 VAL HG12 H 1 0.9891 0.01 . 2 . . . A 176 VAL HG12 . 18099 1 1056 . 1 1 199 199 VAL HG13 H 1 0.9891 0.01 . 2 . . . A 176 VAL HG13 . 18099 1 1057 . 1 1 199 199 VAL HG21 H 1 1.2221 0.01 . 2 . . . A 176 VAL HG21 . 18099 1 1058 . 1 1 199 199 VAL HG22 H 1 1.2221 0.01 . 2 . . . A 176 VAL HG22 . 18099 1 1059 . 1 1 199 199 VAL HG23 H 1 1.2221 0.01 . 2 . . . A 176 VAL HG23 . 18099 1 1060 . 1 1 199 199 VAL C C 13 178.7487 0.2 . 1 . . . A 176 VAL C . 18099 1 1061 . 1 1 199 199 VAL CA C 13 65.6322 0.2 . 1 . . . A 176 VAL CA . 18099 1 1062 . 1 1 199 199 VAL CB C 13 30.6157 0.2 . 1 . . . A 176 VAL CB . 18099 1 1063 . 1 1 199 199 VAL CG1 C 13 20.8632 0.2 . 2 . . . A 176 VAL CG1 . 18099 1 1064 . 1 1 199 199 VAL CG2 C 13 22.2102 0.2 . 2 . . . A 176 VAL CG2 . 18099 1 1065 . 1 1 199 199 VAL N N 15 117.9274 0.1 . 1 . . . A 176 VAL N . 18099 1 1066 . 1 1 200 200 ILE H H 1 7.5403 0.01 . 1 . . . A 177 ILE H . 18099 1 1067 . 1 1 200 200 ILE C C 13 178.3308 0.2 . 1 . . . A 177 ILE C . 18099 1 1068 . 1 1 200 200 ILE CA C 13 62.5120 0.2 . 1 . . . A 177 ILE CA . 18099 1 1069 . 1 1 200 200 ILE CB C 13 35.2586 0.2 . 1 . . . A 177 ILE CB . 18099 1 1070 . 1 1 200 200 ILE N N 15 117.6358 0.1 . 1 . . . A 177 ILE N . 18099 1 1071 . 1 1 201 201 SER C C 13 174.4498 0.2 . 1 . . . A 178 SER C . 18099 1 1072 . 1 1 201 201 SER CA C 13 60.4498 0.2 . 1 . . . A 178 SER CA . 18099 1 1073 . 1 1 201 201 SER CB C 13 62.8486 0.2 . 1 . . . A 178 SER CB . 18099 1 1074 . 1 1 202 202 ARG H H 1 6.9747 0.01 . 1 . . . A 179 ARG H . 18099 1 1075 . 1 1 202 202 ARG C C 13 176.7784 0.2 . 1 . . . A 179 ARG C . 18099 1 1076 . 1 1 202 202 ARG CA C 13 55.1957 0.2 . 1 . . . A 179 ARG CA . 18099 1 1077 . 1 1 202 202 ARG CB C 13 29.2907 0.2 . 1 . . . A 179 ARG CB . 18099 1 1078 . 1 1 202 202 ARG N N 15 118.0731 0.1 . 1 . . . A 179 ARG N . 18099 1 1079 . 1 1 203 203 SER H H 1 7.3905 0.01 . 1 . . . A 180 SER H . 18099 1 1080 . 1 1 203 203 SER CA C 13 55.9488 0.2 . 1 . . . A 180 SER CA . 18099 1 1081 . 1 1 203 203 SER CB C 13 63.7856 0.2 . 1 . . . A 180 SER CB . 18099 1 1082 . 1 1 203 203 SER N N 15 117.9274 0.1 . 1 . . . A 180 SER N . 18099 1 1083 . 1 1 206 206 PHE C C 13 176.4662 0.2 . 1 . . . A 183 PHE C . 18099 1 1084 . 1 1 206 206 PHE CA C 13 57.5756 0.2 . 1 . . . A 183 PHE CA . 18099 1 1085 . 1 1 206 206 PHE CB C 13 39.4659 0.2 . 1 . . . A 183 PHE CB . 18099 1 1086 . 1 1 207 207 ALA H H 1 8.0318 0.01 . 1 . . . A 184 ALA H . 18099 1 1087 . 1 1 207 207 ALA CA C 13 55.0298 0.2 . 1 . . . A 184 ALA CA . 18099 1 1088 . 1 1 207 207 ALA CB C 13 18.1897 0.2 . 1 . . . A 184 ALA CB . 18099 1 1089 . 1 1 207 207 ALA N N 15 123.9044 0.1 . 1 . . . A 184 ALA N . 18099 1 1090 . 1 1 211 211 LYS C C 13 175.8051 0.2 . 1 . . . A 188 LYS C . 18099 1 1091 . 1 1 211 211 LYS CA C 13 56.1495 0.2 . 1 . . . A 188 LYS CA . 18099 1 1092 . 1 1 211 211 LYS CB C 13 31.5536 0.2 . 1 . . . A 188 LYS CB . 18099 1 1093 . 1 1 212 212 ILE H H 1 7.9403 0.01 . 1 . . . A 189 ILE H . 18099 1 1094 . 1 1 212 212 ILE HD11 H 1 0.8076 0.01 . 1 . . . A 189 ILE HD11 . 18099 1 1095 . 1 1 212 212 ILE HD12 H 1 0.8076 0.01 . 1 . . . A 189 ILE HD12 . 18099 1 1096 . 1 1 212 212 ILE HD13 H 1 0.8076 0.01 . 1 . . . A 189 ILE HD13 . 18099 1 1097 . 1 1 212 212 ILE C C 13 175.7246 0.2 . 1 . . . A 189 ILE C . 18099 1 1098 . 1 1 212 212 ILE CA C 13 60.5415 0.2 . 1 . . . A 189 ILE CA . 18099 1 1099 . 1 1 212 212 ILE CB C 13 37.9388 0.2 . 1 . . . A 189 ILE CB . 18099 1 1100 . 1 1 212 212 ILE CD1 C 13 12.6622 0.2 . 1 . . . A 189 ILE CD1 . 18099 1 1101 . 1 1 212 212 ILE N N 15 122.1550 0.1 . 1 . . . A 189 ILE N . 18099 1 1102 . 1 1 213 213 VAL H H 1 8.0757 0.01 . 1 . . . A 190 VAL H . 18099 1 1103 . 1 1 213 213 VAL HG11 H 1 0.9600 0.01 . 2 . . . A 190 VAL HG11 . 18099 1 1104 . 1 1 213 213 VAL HG12 H 1 0.9600 0.01 . 2 . . . A 190 VAL HG12 . 18099 1 1105 . 1 1 213 213 VAL HG13 H 1 0.9600 0.01 . 2 . . . A 190 VAL HG13 . 18099 1 1106 . 1 1 213 213 VAL HG21 H 1 0.9502 0.01 . 2 . . . A 190 VAL HG21 . 18099 1 1107 . 1 1 213 213 VAL HG22 H 1 0.9502 0.01 . 2 . . . A 190 VAL HG22 . 18099 1 1108 . 1 1 213 213 VAL HG23 H 1 0.9502 0.01 . 2 . . . A 190 VAL HG23 . 18099 1 1109 . 1 1 213 213 VAL C C 13 174.9378 0.2 . 1 . . . A 190 VAL C . 18099 1 1110 . 1 1 213 213 VAL CA C 13 61.8700 0.2 . 1 . . . A 190 VAL CA . 18099 1 1111 . 1 1 213 213 VAL CB C 13 31.8919 0.2 . 1 . . . A 190 VAL CB . 18099 1 1112 . 1 1 213 213 VAL CG1 C 13 20.9745 0.2 . 2 . . . A 190 VAL CG1 . 18099 1 1113 . 1 1 213 213 VAL CG2 C 13 20.3755 0.2 . 2 . . . A 190 VAL CG2 . 18099 1 1114 . 1 1 213 213 VAL N N 15 125.9454 0.1 . 1 . . . A 190 VAL N . 18099 1 1115 . 1 1 214 214 LEU H H 1 7.7790 0.01 . 1 . . . A 191 LEU H . 18099 1 1116 . 1 1 214 214 LEU C C 13 182.2498 0.2 . 1 . . . A 191 LEU C . 18099 1 1117 . 1 1 214 214 LEU CA C 13 56.2801 0.2 . 1 . . . A 191 LEU CA . 18099 1 1118 . 1 1 214 214 LEU CB C 13 42.5034 0.2 . 1 . . . A 191 LEU CB . 18099 1 1119 . 1 1 214 214 LEU N N 15 114.1370 0.1 . 1 . . . A 191 LEU N . 18099 1 stop_ save_