data_5736 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5736 _Entry.Title ; Sequence specific resonance assignments of ICln, an ion channel cloned from epithelial cells ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-14 _Entry.Accession_date 2003-03-14 _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 . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andreas Schedlbauer . . . 5736 2 Georg Kontaxis . . . 5736 3 Matthias Konig . . . 5736 4 Johannes Furst . . . 5736 5 Guido Botta . . . 5736 6 Markus Paulmichl . . . 5736 7 Robert Konrat . . . 5736 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5736 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 171 5736 '1H chemical shifts' 175 5736 '13C chemical shifts' 553 5736 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-11-30 2003-03-14 update author 'update sequence and chemical shifts' 5736 1 . . 2003-10-08 2003-03-14 original author 'original release' 5736 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5736 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22874490 _Citation.DOI . _Citation.PubMed_ID 14512740 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific Resonance Assignments of ICln, an ion channel cloned from epithelial Cells ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _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 399 _Citation.Page_last 400 _Citation.Year 2003 _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 Andreas Schedlbauer . . . 5736 1 2 Georg Kontaxis . . . 5736 1 3 Matthias Konig . . . 5736 1 4 Johannes Furst . . . 5736 1 5 Martin Jakab . . . 5736 1 6 Markus Ritter . . . 5736 1 7 Lisa Garavaglia . . . 5736 1 8 Guido Botta . . . 5736 1 9 Giuliano Meyer . . . 5736 1 10 Markus Paulmichl . . . 5736 1 11 Robert Konrat . . . 5736 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'swelling dependent ion channel' 5736 1 'chloride channel' 5736 1 'NMR assignments' 5736 1 'protein structure' 5736 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ICln _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ICln _Assembly.Entry_ID 5736 _Assembly.ID 1 _Assembly.Name ICln _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5736 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ICln monomer' 1 $ICln . . yes native no no . . . 5736 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ICln system 5736 1 ICln abbreviation 5736 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'swelling dependent in channel' 5736 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ICln _Entity.Sf_category entity _Entity.Sf_framecode ICln _Entity.Entry_ID 5736 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ICln _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHLEMSFLKSFPPPG SAEGLRQQQPETEAVLNGKG LGTGTLYIAESRLSWLDGSG LGFSLEYPTISLHAVSRDLN AYPREHLYVMVNAKFGEESK ESVAEEEDSDDDVEPIAEFR FVPSDKSALEAMFTAMCECQ ALHPDPEDEDSDDYDGEEYD VEAHEQGQGDIPTFYTYEEG LSHLTAEGQATLERLEGMLS QSVSSQYNMAGVRTEDSTRD YEDGMEVDTTPTVAGQFEDA DVDH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 244 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1ZYI . "Solution Structure Of Icln, A Multifunctional Protein Involved In Regulatory Mechanisms As Different As Cell Volume Regulation " . . . . . 100.00 171 100.00 100.00 5.88e-119 . . . . 5736 1 2 no EMBL CAA46447 . "chloride channel [Canis lupus familiaris]" . . . . . 94.64 235 100.00 100.00 8.42e-111 . . . . 5736 1 3 no GB EFB16643 . "hypothetical protein PANDA_004374 [Ailuropoda melanoleuca]" . . . . . 95.24 214 98.13 98.75 1.45e-108 . . . . 5736 1 4 no PRF 1808296A . "Cl channel" . . . . . 94.64 235 98.74 99.37 5.75e-109 . . . . 5736 1 5 no REF NP_001003288 . "methylosome subunit pICln [Canis lupus familiaris]" . . . . . 94.64 235 100.00 100.00 8.42e-111 . . . . 5736 1 6 no REF XP_002916314 . "PREDICTED: methylosome subunit pICln-like [Ailuropoda melanoleuca]" . . . . . 95.24 236 98.13 98.75 3.48e-108 . . . . 5736 1 7 no REF XP_003992740 . "PREDICTED: methylosome subunit pICln [Felis catus]" . . . . . 95.83 237 98.14 98.76 2.57e-108 . . . . 5736 1 8 no REF XP_004391878 . "PREDICTED: methylosome subunit pICln [Odobenus rosmarus divergens]" . . . . . 94.64 235 98.74 100.00 1.45e-109 . . . . 5736 1 9 no REF XP_004781086 . "PREDICTED: methylosome subunit pICln isoform X1 [Mustela putorius furo]" . . . . . 95.24 286 97.50 98.13 1.53e-105 . . . . 5736 1 10 no SP P35521 . "RecName: Full=Methylosome subunit pICln; AltName: Full=Chloride channel, nucleotide sensitive 1A; AltName: Full=Chloride conduc" . . . . . 94.64 235 100.00 100.00 8.42e-111 . . . . 5736 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ICln common 5736 1 ICln abbreviation 5736 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 . MET . 5736 1 2 . HIS . 5736 1 3 . HIS . 5736 1 4 . HIS . 5736 1 5 . HIS . 5736 1 6 . HIS . 5736 1 7 . HIS . 5736 1 8 . LEU . 5736 1 9 . GLU . 5736 1 10 . MET . 5736 1 11 . SER . 5736 1 12 . PHE . 5736 1 13 . LEU . 5736 1 14 . LYS . 5736 1 15 . SER . 5736 1 16 . PHE . 5736 1 17 . PRO . 5736 1 18 . PRO . 5736 1 19 . PRO . 5736 1 20 . GLY . 5736 1 21 . SER . 5736 1 22 . ALA . 5736 1 23 . GLU . 5736 1 24 . GLY . 5736 1 25 . LEU . 5736 1 26 . ARG . 5736 1 27 . GLN . 5736 1 28 . GLN . 5736 1 29 . GLN . 5736 1 30 . PRO . 5736 1 31 . GLU . 5736 1 32 . THR . 5736 1 33 . GLU . 5736 1 34 . ALA . 5736 1 35 . VAL . 5736 1 36 . LEU . 5736 1 37 . ASN . 5736 1 38 . GLY . 5736 1 39 . LYS . 5736 1 40 . GLY . 5736 1 41 . LEU . 5736 1 42 . GLY . 5736 1 43 . THR . 5736 1 44 . GLY . 5736 1 45 . THR . 5736 1 46 . LEU . 5736 1 47 . TYR . 5736 1 48 . ILE . 5736 1 49 . ALA . 5736 1 50 . GLU . 5736 1 51 . SER . 5736 1 52 . ARG . 5736 1 53 . LEU . 5736 1 54 . SER . 5736 1 55 . TRP . 5736 1 56 . LEU . 5736 1 57 . ASP . 5736 1 58 . GLY . 5736 1 59 . SER . 5736 1 60 . GLY . 5736 1 61 . LEU . 5736 1 62 . GLY . 5736 1 63 . PHE . 5736 1 64 . SER . 5736 1 65 . LEU . 5736 1 66 . GLU . 5736 1 67 . TYR . 5736 1 68 . PRO . 5736 1 69 . THR . 5736 1 70 . ILE . 5736 1 71 . SER . 5736 1 72 . LEU . 5736 1 73 . HIS . 5736 1 74 . ALA . 5736 1 75 . VAL . 5736 1 76 . SER . 5736 1 77 . ARG . 5736 1 78 . ASP . 5736 1 79 . LEU . 5736 1 80 . ASN . 5736 1 81 . ALA . 5736 1 82 . TYR . 5736 1 83 . PRO . 5736 1 84 . ARG . 5736 1 85 . GLU . 5736 1 86 . HIS . 5736 1 87 . LEU . 5736 1 88 . TYR . 5736 1 89 . VAL . 5736 1 90 . MET . 5736 1 91 . VAL . 5736 1 92 . ASN . 5736 1 93 . ALA . 5736 1 94 . LYS . 5736 1 95 . PHE . 5736 1 96 . GLY . 5736 1 97 . GLU . 5736 1 98 . GLU . 5736 1 99 . SER . 5736 1 100 . LYS . 5736 1 101 . GLU . 5736 1 102 . SER . 5736 1 103 . VAL . 5736 1 104 . ALA . 5736 1 105 . GLU . 5736 1 106 . GLU . 5736 1 107 . GLU . 5736 1 108 . ASP . 5736 1 109 . SER . 5736 1 110 . ASP . 5736 1 111 . ASP . 5736 1 112 . ASP . 5736 1 113 . VAL . 5736 1 114 . GLU . 5736 1 115 . PRO . 5736 1 116 . ILE . 5736 1 117 . ALA . 5736 1 118 . GLU . 5736 1 119 . PHE . 5736 1 120 . ARG . 5736 1 121 . PHE . 5736 1 122 . VAL . 5736 1 123 . PRO . 5736 1 124 . SER . 5736 1 125 . ASP . 5736 1 126 . LYS . 5736 1 127 . SER . 5736 1 128 . ALA . 5736 1 129 . LEU . 5736 1 130 . GLU . 5736 1 131 . ALA . 5736 1 132 . MET . 5736 1 133 . PHE . 5736 1 134 . THR . 5736 1 135 . ALA . 5736 1 136 . MET . 5736 1 137 . CYS . 5736 1 138 . GLU . 5736 1 139 . CYS . 5736 1 140 . GLN . 5736 1 141 . ALA . 5736 1 142 . LEU . 5736 1 143 . HIS . 5736 1 144 . PRO . 5736 1 145 . ASP . 5736 1 146 . PRO . 5736 1 147 . GLU . 5736 1 148 . ASP . 5736 1 149 . GLU . 5736 1 150 . ASP . 5736 1 151 . SER . 5736 1 152 . ASP . 5736 1 153 . ASP . 5736 1 154 . TYR . 5736 1 155 . ASP . 5736 1 156 . GLY . 5736 1 157 . GLU . 5736 1 158 . GLU . 5736 1 159 . TYR . 5736 1 160 . ASP . 5736 1 161 . VAL . 5736 1 162 . GLU . 5736 1 163 . ALA . 5736 1 164 . HIS . 5736 1 165 . GLU . 5736 1 166 . GLN . 5736 1 167 . GLY . 5736 1 168 . GLN . 5736 1 169 . GLY . 5736 1 170 . ASP . 5736 1 171 . ILE . 5736 1 172 . PRO . 5736 1 173 . THR . 5736 1 174 . PHE . 5736 1 175 . TYR . 5736 1 176 . THR . 5736 1 177 . TYR . 5736 1 178 . GLU . 5736 1 179 . GLU . 5736 1 180 . GLY . 5736 1 181 . LEU . 5736 1 182 . SER . 5736 1 183 . HIS . 5736 1 184 . LEU . 5736 1 185 . THR . 5736 1 186 . ALA . 5736 1 187 . GLU . 5736 1 188 . GLY . 5736 1 189 . GLN . 5736 1 190 . ALA . 5736 1 191 . THR . 5736 1 192 . LEU . 5736 1 193 . GLU . 5736 1 194 . ARG . 5736 1 195 . LEU . 5736 1 196 . GLU . 5736 1 197 . GLY . 5736 1 198 . MET . 5736 1 199 . LEU . 5736 1 200 . SER . 5736 1 201 . GLN . 5736 1 202 . SER . 5736 1 203 . VAL . 5736 1 204 . SER . 5736 1 205 . SER . 5736 1 206 . GLN . 5736 1 207 . TYR . 5736 1 208 . ASN . 5736 1 209 . MET . 5736 1 210 . ALA . 5736 1 211 . GLY . 5736 1 212 . VAL . 5736 1 213 . ARG . 5736 1 214 . THR . 5736 1 215 . GLU . 5736 1 216 . ASP . 5736 1 217 . SER . 5736 1 218 . THR . 5736 1 219 . ARG . 5736 1 220 . ASP . 5736 1 221 . TYR . 5736 1 222 . GLU . 5736 1 223 . ASP . 5736 1 224 . GLY . 5736 1 225 . MET . 5736 1 226 . GLU . 5736 1 227 . VAL . 5736 1 228 . ASP . 5736 1 229 . THR . 5736 1 230 . THR . 5736 1 231 . PRO . 5736 1 232 . THR . 5736 1 233 . VAL . 5736 1 234 . ALA . 5736 1 235 . GLY . 5736 1 236 . GLN . 5736 1 237 . PHE . 5736 1 238 . GLU . 5736 1 239 . ASP . 5736 1 240 . ALA . 5736 1 241 . ASP . 5736 1 242 . VAL . 5736 1 243 . ASP . 5736 1 244 . HIS . 5736 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 5736 1 . HIS 2 2 5736 1 . HIS 3 3 5736 1 . HIS 4 4 5736 1 . HIS 5 5 5736 1 . HIS 6 6 5736 1 . HIS 7 7 5736 1 . LEU 8 8 5736 1 . GLU 9 9 5736 1 . MET 10 10 5736 1 . SER 11 11 5736 1 . PHE 12 12 5736 1 . LEU 13 13 5736 1 . LYS 14 14 5736 1 . SER 15 15 5736 1 . PHE 16 16 5736 1 . PRO 17 17 5736 1 . PRO 18 18 5736 1 . PRO 19 19 5736 1 . GLY 20 20 5736 1 . SER 21 21 5736 1 . ALA 22 22 5736 1 . GLU 23 23 5736 1 . GLY 24 24 5736 1 . LEU 25 25 5736 1 . ARG 26 26 5736 1 . GLN 27 27 5736 1 . GLN 28 28 5736 1 . GLN 29 29 5736 1 . PRO 30 30 5736 1 . GLU 31 31 5736 1 . THR 32 32 5736 1 . GLU 33 33 5736 1 . ALA 34 34 5736 1 . VAL 35 35 5736 1 . LEU 36 36 5736 1 . ASN 37 37 5736 1 . GLY 38 38 5736 1 . LYS 39 39 5736 1 . GLY 40 40 5736 1 . LEU 41 41 5736 1 . GLY 42 42 5736 1 . THR 43 43 5736 1 . GLY 44 44 5736 1 . THR 45 45 5736 1 . LEU 46 46 5736 1 . TYR 47 47 5736 1 . ILE 48 48 5736 1 . ALA 49 49 5736 1 . GLU 50 50 5736 1 . SER 51 51 5736 1 . ARG 52 52 5736 1 . LEU 53 53 5736 1 . SER 54 54 5736 1 . TRP 55 55 5736 1 . LEU 56 56 5736 1 . ASP 57 57 5736 1 . GLY 58 58 5736 1 . SER 59 59 5736 1 . GLY 60 60 5736 1 . LEU 61 61 5736 1 . GLY 62 62 5736 1 . PHE 63 63 5736 1 . SER 64 64 5736 1 . LEU 65 65 5736 1 . GLU 66 66 5736 1 . TYR 67 67 5736 1 . PRO 68 68 5736 1 . THR 69 69 5736 1 . ILE 70 70 5736 1 . SER 71 71 5736 1 . LEU 72 72 5736 1 . HIS 73 73 5736 1 . ALA 74 74 5736 1 . VAL 75 75 5736 1 . SER 76 76 5736 1 . ARG 77 77 5736 1 . ASP 78 78 5736 1 . LEU 79 79 5736 1 . ASN 80 80 5736 1 . ALA 81 81 5736 1 . TYR 82 82 5736 1 . PRO 83 83 5736 1 . ARG 84 84 5736 1 . GLU 85 85 5736 1 . HIS 86 86 5736 1 . LEU 87 87 5736 1 . TYR 88 88 5736 1 . VAL 89 89 5736 1 . MET 90 90 5736 1 . VAL 91 91 5736 1 . ASN 92 92 5736 1 . ALA 93 93 5736 1 . LYS 94 94 5736 1 . PHE 95 95 5736 1 . GLY 96 96 5736 1 . GLU 97 97 5736 1 . GLU 98 98 5736 1 . SER 99 99 5736 1 . LYS 100 100 5736 1 . GLU 101 101 5736 1 . SER 102 102 5736 1 . VAL 103 103 5736 1 . ALA 104 104 5736 1 . GLU 105 105 5736 1 . GLU 106 106 5736 1 . GLU 107 107 5736 1 . ASP 108 108 5736 1 . SER 109 109 5736 1 . ASP 110 110 5736 1 . ASP 111 111 5736 1 . ASP 112 112 5736 1 . VAL 113 113 5736 1 . GLU 114 114 5736 1 . PRO 115 115 5736 1 . ILE 116 116 5736 1 . ALA 117 117 5736 1 . GLU 118 118 5736 1 . PHE 119 119 5736 1 . ARG 120 120 5736 1 . PHE 121 121 5736 1 . VAL 122 122 5736 1 . PRO 123 123 5736 1 . SER 124 124 5736 1 . ASP 125 125 5736 1 . LYS 126 126 5736 1 . SER 127 127 5736 1 . ALA 128 128 5736 1 . LEU 129 129 5736 1 . GLU 130 130 5736 1 . ALA 131 131 5736 1 . MET 132 132 5736 1 . PHE 133 133 5736 1 . THR 134 134 5736 1 . ALA 135 135 5736 1 . MET 136 136 5736 1 . CYS 137 137 5736 1 . GLU 138 138 5736 1 . CYS 139 139 5736 1 . GLN 140 140 5736 1 . ALA 141 141 5736 1 . LEU 142 142 5736 1 . HIS 143 143 5736 1 . PRO 144 144 5736 1 . ASP 145 145 5736 1 . PRO 146 146 5736 1 . GLU 147 147 5736 1 . ASP 148 148 5736 1 . GLU 149 149 5736 1 . ASP 150 150 5736 1 . SER 151 151 5736 1 . ASP 152 152 5736 1 . ASP 153 153 5736 1 . TYR 154 154 5736 1 . ASP 155 155 5736 1 . GLY 156 156 5736 1 . GLU 157 157 5736 1 . GLU 158 158 5736 1 . TYR 159 159 5736 1 . ASP 160 160 5736 1 . VAL 161 161 5736 1 . GLU 162 162 5736 1 . ALA 163 163 5736 1 . HIS 164 164 5736 1 . GLU 165 165 5736 1 . GLN 166 166 5736 1 . GLY 167 167 5736 1 . GLN 168 168 5736 1 . GLY 169 169 5736 1 . ASP 170 170 5736 1 . ILE 171 171 5736 1 . PRO 172 172 5736 1 . THR 173 173 5736 1 . PHE 174 174 5736 1 . TYR 175 175 5736 1 . THR 176 176 5736 1 . TYR 177 177 5736 1 . GLU 178 178 5736 1 . GLU 179 179 5736 1 . GLY 180 180 5736 1 . LEU 181 181 5736 1 . SER 182 182 5736 1 . HIS 183 183 5736 1 . LEU 184 184 5736 1 . THR 185 185 5736 1 . ALA 186 186 5736 1 . GLU 187 187 5736 1 . GLY 188 188 5736 1 . GLN 189 189 5736 1 . ALA 190 190 5736 1 . THR 191 191 5736 1 . LEU 192 192 5736 1 . GLU 193 193 5736 1 . ARG 194 194 5736 1 . LEU 195 195 5736 1 . GLU 196 196 5736 1 . GLY 197 197 5736 1 . MET 198 198 5736 1 . LEU 199 199 5736 1 . SER 200 200 5736 1 . GLN 201 201 5736 1 . SER 202 202 5736 1 . VAL 203 203 5736 1 . SER 204 204 5736 1 . SER 205 205 5736 1 . GLN 206 206 5736 1 . TYR 207 207 5736 1 . ASN 208 208 5736 1 . MET 209 209 5736 1 . ALA 210 210 5736 1 . GLY 211 211 5736 1 . VAL 212 212 5736 1 . ARG 213 213 5736 1 . THR 214 214 5736 1 . GLU 215 215 5736 1 . ASP 216 216 5736 1 . SER 217 217 5736 1 . THR 218 218 5736 1 . ARG 219 219 5736 1 . ASP 220 220 5736 1 . TYR 221 221 5736 1 . GLU 222 222 5736 1 . ASP 223 223 5736 1 . GLY 224 224 5736 1 . MET 225 225 5736 1 . GLU 226 226 5736 1 . VAL 227 227 5736 1 . ASP 228 228 5736 1 . THR 229 229 5736 1 . THR 230 230 5736 1 . PRO 231 231 5736 1 . THR 232 232 5736 1 . VAL 233 233 5736 1 . ALA 234 234 5736 1 . GLY 235 235 5736 1 . GLN 236 236 5736 1 . PHE 237 237 5736 1 . GLU 238 238 5736 1 . ASP 239 239 5736 1 . ALA 240 240 5736 1 . ASP 241 241 5736 1 . VAL 242 242 5736 1 . ASP 243 243 5736 1 . HIS 244 244 5736 1 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 5736 _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 $ICln . 9615 . . 'Canis familiaris' Dog . . Eukaryota Metazoa Canis familiaris . . . kidney . . . . . . . . . . . . . . . . . 5736 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 5736 _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 $ICln . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5736 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5736 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ICln . . . 1 $ICln . . . . 1 mM . . . . 5736 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 5736 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 5736 1 temperature 298 1 K 5736 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5736 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5736 _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 NMR_spectrometer Varian INOVA . 800 . . . 5736 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 5736 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5736 1 2 '3D HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5736 1 3 '3D HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5736 1 4 '3D CBCACONH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5736 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5736 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5736 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5736 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5736 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCACONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5736 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5736 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5736 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5736 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5736 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1H-15N HSQC' 1 $sample_1 . 5736 1 2 '3D HNCO' 1 $sample_1 . 5736 1 3 '3D HNCACB' 1 $sample_1 . 5736 1 4 '3D CBCACONH' 1 $sample_1 . 5736 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 12 12 PHE N N 15 119.40 0.10 . . . . . . . . . . 5736 1 2 . 1 1 12 12 PHE H H 1 7.77 0.01 . . . . . . . . . . 5736 1 3 . 1 1 12 12 PHE CA C 13 47.31 0.10 . . . . . . . . . . 5736 1 4 . 1 1 12 12 PHE CB C 13 39.40 0.10 . . . . . . . . . . 5736 1 5 . 1 1 12 12 PHE C C 13 174.97 0.10 . . . . . . . . . . 5736 1 6 . 1 1 13 13 LEU N N 15 120.74 0.10 . . . . . . . . . . 5736 1 7 . 1 1 13 13 LEU H H 1 7.56 0.01 . . . . . . . . . . 5736 1 8 . 1 1 13 13 LEU CA C 13 54.77 0.10 . . . . . . . . . . 5736 1 9 . 1 1 13 13 LEU CB C 13 41.87 0.10 . . . . . . . . . . 5736 1 10 . 1 1 13 13 LEU C C 13 176.57 0.10 . . . . . . . . . . 5736 1 11 . 1 1 14 14 LYS N N 15 121.17 0.10 . . . . . . . . . . 5736 1 12 . 1 1 14 14 LYS H H 1 9.40 0.01 . . . . . . . . . . 5736 1 13 . 1 1 14 14 LYS CA C 13 54.90 0.10 . . . . . . . . . . 5736 1 14 . 1 1 14 14 LYS CB C 13 36.84 0.10 . . . . . . . . . . 5736 1 15 . 1 1 14 14 LYS C C 13 175.12 0.10 . . . . . . . . . . 5736 1 16 . 1 1 15 15 SER N N 15 115.23 0.10 . . . . . . . . . . 5736 1 17 . 1 1 15 15 SER H H 1 8.61 0.01 . . . . . . . . . . 5736 1 18 . 1 1 15 15 SER CA C 13 57.69 0.10 . . . . . . . . . . 5736 1 19 . 1 1 15 15 SER CB C 13 64.03 0.10 . . . . . . . . . . 5736 1 20 . 1 1 15 15 SER C C 13 174.53 0.10 . . . . . . . . . . 5736 1 21 . 1 1 16 16 PHE N N 15 121.84 0.10 . . . . . . . . . . 5736 1 22 . 1 1 16 16 PHE H H 1 6.82 0.01 . . . . . . . . . . 5736 1 23 . 1 1 16 16 PHE CA C 13 55.07 0.10 . . . . . . . . . . 5736 1 24 . 1 1 16 16 PHE CB C 13 37.48 0.10 . . . . . . . . . . 5736 1 25 . 1 1 19 19 PRO CA C 13 62.73 0.10 . . . . . . . . . . 5736 1 26 . 1 1 19 19 PRO CB C 13 32.50 0.10 . . . . . . . . . . 5736 1 27 . 1 1 19 19 PRO C C 13 175.37 0.10 . . . . . . . . . . 5736 1 28 . 1 1 20 20 GLY N N 15 108.92 0.10 . . . . . . . . . . 5736 1 29 . 1 1 20 20 GLY H H 1 8.66 0.01 . . . . . . . . . . 5736 1 30 . 1 1 20 20 GLY CA C 13 44.31 0.10 . . . . . . . . . . 5736 1 31 . 1 1 22 22 ALA CA C 13 54.51 0.10 . . . . . . . . . . 5736 1 32 . 1 1 22 22 ALA CB C 13 18.10 0.10 . . . . . . . . . . 5736 1 33 . 1 1 22 22 ALA C C 13 178.41 0.10 . . . . . . . . . . 5736 1 34 . 1 1 23 23 GLU N N 15 116.19 0.10 . . . . . . . . . . 5736 1 35 . 1 1 23 23 GLU H H 1 7.49 0.01 . . . . . . . . . . 5736 1 36 . 1 1 23 23 GLU CA C 13 57.12 0.10 . . . . . . . . . . 5736 1 37 . 1 1 23 23 GLU CB C 13 29.80 0.10 . . . . . . . . . . 5736 1 38 . 1 1 23 23 GLU C C 13 176.46 0.10 . . . . . . . . . . 5736 1 39 . 1 1 24 24 GLY N N 15 108.23 0.10 . . . . . . . . . . 5736 1 40 . 1 1 24 24 GLY H H 1 8.02 0.01 . . . . . . . . . . 5736 1 41 . 1 1 24 24 GLY CA C 13 47.31 0.10 . . . . . . . . . . 5736 1 42 . 1 1 24 24 GLY C C 13 175.96 0.10 . . . . . . . . . . 5736 1 43 . 1 1 25 25 LEU N N 15 121.13 0.10 . . . . . . . . . . 5736 1 44 . 1 1 25 25 LEU H H 1 7.61 0.01 . . . . . . . . . . 5736 1 45 . 1 1 25 25 LEU CA C 13 57.34 0.10 . . . . . . . . . . 5736 1 46 . 1 1 25 25 LEU CB C 13 42.03 0.10 . . . . . . . . . . 5736 1 47 . 1 1 25 25 LEU C C 13 176.01 0.10 . . . . . . . . . . 5736 1 48 . 1 1 26 26 ARG N N 15 126.79 0.10 . . . . . . . . . . 5736 1 49 . 1 1 26 26 ARG H H 1 9.00 0.01 . . . . . . . . . . 5736 1 50 . 1 1 26 26 ARG CA C 13 63.09 0.10 . . . . . . . . . . 5736 1 51 . 1 1 26 26 ARG CB C 13 32.05 0.10 . . . . . . . . . . 5736 1 52 . 1 1 26 26 ARG C C 13 175.55 0.10 . . . . . . . . . . 5736 1 53 . 1 1 27 27 GLN N N 15 118.79 0.10 . . . . . . . . . . 5736 1 54 . 1 1 27 27 GLN H H 1 7.77 0.01 . . . . . . . . . . 5736 1 55 . 1 1 27 27 GLN CA C 13 56.15 0.10 . . . . . . . . . . 5736 1 56 . 1 1 27 27 GLN CB C 13 32.14 0.10 . . . . . . . . . . 5736 1 57 . 1 1 27 27 GLN C C 13 172.62 0.10 . . . . . . . . . . 5736 1 58 . 1 1 28 28 GLN N N 15 124.56 0.10 . . . . . . . . . . 5736 1 59 . 1 1 28 28 GLN H H 1 8.64 0.01 . . . . . . . . . . 5736 1 60 . 1 1 28 28 GLN CA C 13 53.27 0.10 . . . . . . . . . . 5736 1 61 . 1 1 28 28 GLN CB C 13 32.34 0.10 . . . . . . . . . . 5736 1 62 . 1 1 30 30 PRO CA C 13 62.58 0.10 . . . . . . . . . . 5736 1 63 . 1 1 30 30 PRO CB C 13 33.57 0.10 . . . . . . . . . . 5736 1 64 . 1 1 30 30 PRO C C 13 174.36 0.10 . . . . . . . . . . 5736 1 65 . 1 1 31 31 GLU N N 15 116.50 0.10 . . . . . . . . . . 5736 1 66 . 1 1 31 31 GLU H H 1 8.94 0.01 . . . . . . . . . . 5736 1 67 . 1 1 31 31 GLU CA C 13 56.99 0.10 . . . . . . . . . . 5736 1 68 . 1 1 31 31 GLU CB C 13 27.93 0.10 . . . . . . . . . . 5736 1 69 . 1 1 31 31 GLU C C 13 175.62 0.10 . . . . . . . . . . 5736 1 70 . 1 1 32 32 THR N N 15 115.86 0.10 . . . . . . . . . . 5736 1 71 . 1 1 32 32 THR H H 1 9.75 0.01 . . . . . . . . . . 5736 1 72 . 1 1 32 32 THR CA C 13 62.47 0.10 . . . . . . . . . . 5736 1 73 . 1 1 32 32 THR CB C 13 69.86 0.10 . . . . . . . . . . 5736 1 74 . 1 1 32 32 THR C C 13 176.05 0.10 . . . . . . . . . . 5736 1 75 . 1 1 33 33 GLU N N 15 134.31 0.10 . . . . . . . . . . 5736 1 76 . 1 1 33 33 GLU H H 1 8.92 0.01 . . . . . . . . . . 5736 1 77 . 1 1 33 33 GLU CA C 13 56.01 0.10 . . . . . . . . . . 5736 1 78 . 1 1 33 33 GLU CB C 13 31.42 0.10 . . . . . . . . . . 5736 1 79 . 1 1 33 33 GLU C C 13 175.67 0.10 . . . . . . . . . . 5736 1 80 . 1 1 34 34 ALA N N 15 125.62 0.10 . . . . . . . . . . 5736 1 81 . 1 1 34 34 ALA H H 1 7.72 0.01 . . . . . . . . . . 5736 1 82 . 1 1 34 34 ALA CA C 13 50.41 0.10 . . . . . . . . . . 5736 1 83 . 1 1 34 34 ALA CB C 13 19.44 0.10 . . . . . . . . . . 5736 1 84 . 1 1 35 35 VAL N N 15 123.17 0.10 . . . . . . . . . . 5736 1 85 . 1 1 35 35 VAL H H 1 8.36 0.01 . . . . . . . . . . 5736 1 86 . 1 1 35 35 VAL CA C 13 60.68 0.10 . . . . . . . . . . 5736 1 87 . 1 1 35 35 VAL CB C 13 34.29 0.10 . . . . . . . . . . 5736 1 88 . 1 1 35 35 VAL C C 13 174.27 0.10 . . . . . . . . . . 5736 1 89 . 1 1 36 36 LEU N N 15 127.85 0.10 . . . . . . . . . . 5736 1 90 . 1 1 36 36 LEU H H 1 8.56 0.01 . . . . . . . . . . 5736 1 91 . 1 1 36 36 LEU CA C 13 52.76 0.10 . . . . . . . . . . 5736 1 92 . 1 1 36 36 LEU CB C 13 43.97 0.10 . . . . . . . . . . 5736 1 93 . 1 1 36 36 LEU C C 13 175.54 0.10 . . . . . . . . . . 5736 1 94 . 1 1 37 37 ASN N N 15 128.80 0.10 . . . . . . . . . . 5736 1 95 . 1 1 37 37 ASN H H 1 9.40 0.01 . . . . . . . . . . 5736 1 96 . 1 1 37 37 ASN CA C 13 53.97 0.10 . . . . . . . . . . 5736 1 97 . 1 1 37 37 ASN CB C 13 36.91 0.10 . . . . . . . . . . 5736 1 98 . 1 1 37 37 ASN C C 13 177.95 0.10 . . . . . . . . . . 5736 1 99 . 1 1 38 38 GLY N N 15 102.40 0.10 . . . . . . . . . . 5736 1 100 . 1 1 38 38 GLY H H 1 8.41 0.01 . . . . . . . . . . 5736 1 101 . 1 1 38 38 GLY CA C 13 45.56 0.10 . . . . . . . . . . 5736 1 102 . 1 1 38 38 GLY C C 13 173.52 0.10 . . . . . . . . . . 5736 1 103 . 1 1 39 39 LYS N N 15 123.40 0.10 . . . . . . . . . . 5736 1 104 . 1 1 39 39 LYS H H 1 8.01 0.01 . . . . . . . . . . 5736 1 105 . 1 1 39 39 LYS CA C 13 54.81 0.10 . . . . . . . . . . 5736 1 106 . 1 1 39 39 LYS CB C 13 33.58 0.10 . . . . . . . . . . 5736 1 107 . 1 1 39 39 LYS C C 13 175.33 0.10 . . . . . . . . . . 5736 1 108 . 1 1 40 40 GLY N N 15 113.96 0.10 . . . . . . . . . . 5736 1 109 . 1 1 40 40 GLY H H 1 8.90 0.01 . . . . . . . . . . 5736 1 110 . 1 1 40 40 GLY CA C 13 47.03 0.10 . . . . . . . . . . 5736 1 111 . 1 1 40 40 GLY C C 13 174.69 0.10 . . . . . . . . . . 5736 1 112 . 1 1 41 41 LEU N N 15 124.56 0.10 . . . . . . . . . . 5736 1 113 . 1 1 41 41 LEU H H 1 9.27 0.01 . . . . . . . . . . 5736 1 114 . 1 1 41 41 LEU CA C 13 54.54 0.10 . . . . . . . . . . 5736 1 115 . 1 1 41 41 LEU CB C 13 43.15 0.10 . . . . . . . . . . 5736 1 116 . 1 1 41 41 LEU C C 13 176.23 0.10 . . . . . . . . . . 5736 1 117 . 1 1 42 42 GLY N N 15 107.81 0.10 . . . . . . . . . . 5736 1 118 . 1 1 42 42 GLY H H 1 8.26 0.01 . . . . . . . . . . 5736 1 119 . 1 1 42 42 GLY CA C 13 43.81 0.10 . . . . . . . . . . 5736 1 120 . 1 1 42 42 GLY C C 13 172.35 0.10 . . . . . . . . . . 5736 1 121 . 1 1 43 43 THR N N 15 113.74 0.10 . . . . . . . . . . 5736 1 122 . 1 1 43 43 THR H H 1 8.66 0.01 . . . . . . . . . . 5736 1 123 . 1 1 43 43 THR CA C 13 62.90 0.10 . . . . . . . . . . 5736 1 124 . 1 1 43 43 THR CB C 13 70.16 0.10 . . . . . . . . . . 5736 1 125 . 1 1 43 43 THR C C 13 173.84 0.10 . . . . . . . . . . 5736 1 126 . 1 1 44 44 GLY N N 15 114.59 0.10 . . . . . . . . . . 5736 1 127 . 1 1 44 44 GLY H H 1 8.27 0.01 . . . . . . . . . . 5736 1 128 . 1 1 44 44 GLY CA C 13 45.88 0.10 . . . . . . . . . . 5736 1 129 . 1 1 44 44 GLY C C 13 171.27 0.10 . . . . . . . . . . 5736 1 130 . 1 1 45 45 THR N N 15 118.62 0.10 . . . . . . . . . . 5736 1 131 . 1 1 45 45 THR H H 1 8.15 0.01 . . . . . . . . . . 5736 1 132 . 1 1 45 45 THR CA C 13 60.90 0.10 . . . . . . . . . . 5736 1 133 . 1 1 45 45 THR CB C 13 70.67 0.10 . . . . . . . . . . 5736 1 134 . 1 1 45 45 THR C C 13 171.68 0.10 . . . . . . . . . . 5736 1 135 . 1 1 46 46 LEU N N 15 126.04 0.10 . . . . . . . . . . 5736 1 136 . 1 1 46 46 LEU H H 1 8.04 0.01 . . . . . . . . . . 5736 1 137 . 1 1 46 46 LEU CA C 13 53.16 0.10 . . . . . . . . . . 5736 1 138 . 1 1 46 46 LEU CB C 13 45.85 0.10 . . . . . . . . . . 5736 1 139 . 1 1 46 46 LEU C C 13 173.80 0.10 . . . . . . . . . . 5736 1 140 . 1 1 47 47 TYR N N 15 125.41 0.10 . . . . . . . . . . 5736 1 141 . 1 1 47 47 TYR H H 1 9.81 0.01 . . . . . . . . . . 5736 1 142 . 1 1 47 47 TYR CA C 13 57.48 0.10 . . . . . . . . . . 5736 1 143 . 1 1 47 47 TYR CB C 13 39.44 0.10 . . . . . . . . . . 5736 1 144 . 1 1 47 47 TYR C C 13 175.19 0.10 . . . . . . . . . . 5736 1 145 . 1 1 48 48 ILE N N 15 123.92 0.10 . . . . . . . . . . 5736 1 146 . 1 1 48 48 ILE H H 1 9.05 0.01 . . . . . . . . . . 5736 1 147 . 1 1 48 48 ILE CA C 13 61.65 0.10 . . . . . . . . . . 5736 1 148 . 1 1 48 48 ILE CB C 13 37.61 0.10 . . . . . . . . . . 5736 1 149 . 1 1 48 48 ILE C C 13 173.76 0.10 . . . . . . . . . . 5736 1 150 . 1 1 49 49 ALA N N 15 128.38 0.10 . . . . . . . . . . 5736 1 151 . 1 1 49 49 ALA H H 1 7.32 0.01 . . . . . . . . . . 5736 1 152 . 1 1 49 49 ALA CA C 13 49.19 0.10 . . . . . . . . . . 5736 1 153 . 1 1 49 49 ALA CB C 13 21.78 0.10 . . . . . . . . . . 5736 1 154 . 1 1 49 49 ALA C C 13 176.16 0.10 . . . . . . . . . . 5736 1 155 . 1 1 50 50 GLU N N 15 121.74 0.10 . . . . . . . . . . 5736 1 156 . 1 1 50 50 GLU H H 1 8.60 0.01 . . . . . . . . . . 5736 1 157 . 1 1 50 50 GLU CA C 13 60.40 0.10 . . . . . . . . . . 5736 1 158 . 1 1 50 50 GLU CB C 13 29.54 0.10 . . . . . . . . . . 5736 1 159 . 1 1 50 50 GLU C C 13 177.72 0.10 . . . . . . . . . . 5736 1 160 . 1 1 51 51 SER N N 15 108.66 0.10 . . . . . . . . . . 5736 1 161 . 1 1 51 51 SER H H 1 8.01 0.01 . . . . . . . . . . 5736 1 162 . 1 1 51 51 SER CA C 13 60.68 0.10 . . . . . . . . . . 5736 1 163 . 1 1 51 51 SER CB C 13 63.27 0.10 . . . . . . . . . . 5736 1 164 . 1 1 51 51 SER C C 13 174.91 0.10 . . . . . . . . . . 5736 1 165 . 1 1 52 52 ARG N N 15 115.34 0.10 . . . . . . . . . . 5736 1 166 . 1 1 52 52 ARG H H 1 7.24 0.01 . . . . . . . . . . 5736 1 167 . 1 1 52 52 ARG CA C 13 55.16 0.10 . . . . . . . . . . 5736 1 168 . 1 1 52 52 ARG CB C 13 30.30 0.10 . . . . . . . . . . 5736 1 169 . 1 1 52 52 ARG C C 13 172.83 0.10 . . . . . . . . . . 5736 1 170 . 1 1 53 53 LEU N N 15 122.65 0.10 . . . . . . . . . . 5736 1 171 . 1 1 53 53 LEU H H 1 7.65 0.01 . . . . . . . . . . 5736 1 172 . 1 1 53 53 LEU CA C 13 54.12 0.10 . . . . . . . . . . 5736 1 173 . 1 1 53 53 LEU CB C 13 44.29 0.10 . . . . . . . . . . 5736 1 174 . 1 1 53 53 LEU C C 13 176.37 0.10 . . . . . . . . . . 5736 1 175 . 1 1 54 54 SER N N 15 119.05 0.10 . . . . . . . . . . 5736 1 176 . 1 1 54 54 SER H H 1 9.21 0.01 . . . . . . . . . . 5736 1 177 . 1 1 54 54 SER CA C 13 58.14 0.10 . . . . . . . . . . 5736 1 178 . 1 1 54 54 SER CB C 13 67.11 0.10 . . . . . . . . . . 5736 1 179 . 1 1 54 54 SER C C 13 170.43 0.10 . . . . . . . . . . 5736 1 180 . 1 1 55 55 TRP N N 15 125.71 0.10 . . . . . . . . . . 5736 1 181 . 1 1 55 55 TRP H H 1 8.78 0.01 . . . . . . . . . . 5736 1 182 . 1 1 55 55 TRP CA C 13 56.70 0.10 . . . . . . . . . . 5736 1 183 . 1 1 55 55 TRP CB C 13 32.47 0.10 . . . . . . . . . . 5736 1 184 . 1 1 55 55 TRP C C 13 174.27 0.10 . . . . . . . . . . 5736 1 185 . 1 1 56 56 LEU N N 15 124.77 0.10 . . . . . . . . . . 5736 1 186 . 1 1 56 56 LEU H H 1 7.50 0.01 . . . . . . . . . . 5736 1 187 . 1 1 56 56 LEU CA C 13 53.56 0.10 . . . . . . . . . . 5736 1 188 . 1 1 56 56 LEU CB C 13 48.56 0.10 . . . . . . . . . . 5736 1 189 . 1 1 56 56 LEU C C 13 175.55 0.10 . . . . . . . . . . 5736 1 190 . 1 1 57 57 ASP N N 15 123.82 0.10 . . . . . . . . . . 5736 1 191 . 1 1 57 57 ASP H H 1 8.95 0.01 . . . . . . . . . . 5736 1 192 . 1 1 57 57 ASP CA C 13 52.48 0.10 . . . . . . . . . . 5736 1 193 . 1 1 57 57 ASP CB C 13 41.06 0.10 . . . . . . . . . . 5736 1 194 . 1 1 57 57 ASP C C 13 177.91 0.10 . . . . . . . . . . 5736 1 195 . 1 1 58 58 GLY N N 15 105.45 0.10 . . . . . . . . . . 5736 1 196 . 1 1 58 58 GLY H H 1 8.47 0.01 . . . . . . . . . . 5736 1 197 . 1 1 58 58 GLY CA C 13 46.77 0.10 . . . . . . . . . . 5736 1 198 . 1 1 58 58 GLY C C 13 175.23 0.10 . . . . . . . . . . 5736 1 199 . 1 1 59 59 SER N N 15 117.14 0.10 . . . . . . . . . . 5736 1 200 . 1 1 59 59 SER H H 1 8.80 0.01 . . . . . . . . . . 5736 1 201 . 1 1 59 59 SER CA C 13 58.07 0.10 . . . . . . . . . . 5736 1 202 . 1 1 59 59 SER CB C 13 64.45 0.10 . . . . . . . . . . 5736 1 203 . 1 1 59 59 SER C C 13 174.43 0.10 . . . . . . . . . . 5736 1 204 . 1 1 60 60 GLY N N 15 110.45 0.10 . . . . . . . . . . 5736 1 205 . 1 1 60 60 GLY H H 1 8.03 0.01 . . . . . . . . . . 5736 1 206 . 1 1 60 60 GLY CA C 13 46.03 0.10 . . . . . . . . . . 5736 1 207 . 1 1 60 60 GLY C C 13 172.54 0.10 . . . . . . . . . . 5736 1 208 . 1 1 61 61 LEU N N 15 122.01 0.10 . . . . . . . . . . 5736 1 209 . 1 1 61 61 LEU H H 1 7.97 0.01 . . . . . . . . . . 5736 1 210 . 1 1 61 61 LEU CA C 13 53.07 0.10 . . . . . . . . . . 5736 1 211 . 1 1 61 61 LEU CB C 13 44.36 0.10 . . . . . . . . . . 5736 1 212 . 1 1 61 61 LEU C C 13 176.77 0.10 . . . . . . . . . . 5736 1 213 . 1 1 62 62 GLY N N 15 108.61 0.10 . . . . . . . . . . 5736 1 214 . 1 1 62 62 GLY H H 1 9.19 0.01 . . . . . . . . . . 5736 1 215 . 1 1 62 62 GLY CA C 13 47.36 0.10 . . . . . . . . . . 5736 1 216 . 1 1 62 62 GLY C C 13 172.30 0.10 . . . . . . . . . . 5736 1 217 . 1 1 63 63 PHE N N 15 116.71 0.10 . . . . . . . . . . 5736 1 218 . 1 1 63 63 PHE H H 1 9.03 0.01 . . . . . . . . . . 5736 1 219 . 1 1 63 63 PHE CA C 13 56.34 0.10 . . . . . . . . . . 5736 1 220 . 1 1 63 63 PHE CB C 13 42.03 0.10 . . . . . . . . . . 5736 1 221 . 1 1 63 63 PHE C C 13 172.44 0.10 . . . . . . . . . . 5736 1 222 . 1 1 64 64 SER N N 15 113.74 0.10 . . . . . . . . . . 5736 1 223 . 1 1 64 64 SER H H 1 8.74 0.01 . . . . . . . . . . 5736 1 224 . 1 1 64 64 SER CA C 13 56.87 0.10 . . . . . . . . . . 5736 1 225 . 1 1 64 64 SER CB C 13 66.62 0.10 . . . . . . . . . . 5736 1 226 . 1 1 64 64 SER C C 13 172.37 0.10 . . . . . . . . . . 5736 1 227 . 1 1 65 65 LEU N N 15 121.17 0.10 . . . . . . . . . . 5736 1 228 . 1 1 65 65 LEU H H 1 9.16 0.01 . . . . . . . . . . 5736 1 229 . 1 1 65 65 LEU CA C 13 52.72 0.10 . . . . . . . . . . 5736 1 230 . 1 1 65 65 LEU CB C 13 44.87 0.10 . . . . . . . . . . 5736 1 231 . 1 1 65 65 LEU C C 13 175.31 0.10 . . . . . . . . . . 5736 1 232 . 1 1 66 66 GLU N N 15 119.89 0.10 . . . . . . . . . . 5736 1 233 . 1 1 66 66 GLU H H 1 8.73 0.01 . . . . . . . . . . 5736 1 234 . 1 1 66 66 GLU CA C 13 54.85 0.10 . . . . . . . . . . 5736 1 235 . 1 1 66 66 GLU CB C 13 30.64 0.10 . . . . . . . . . . 5736 1 236 . 1 1 66 66 GLU C C 13 174.51 0.10 . . . . . . . . . . 5736 1 237 . 1 1 67 67 TYR N N 15 118.83 0.10 . . . . . . . . . . 5736 1 238 . 1 1 67 67 TYR H H 1 7.35 0.01 . . . . . . . . . . 5736 1 239 . 1 1 67 67 TYR CA C 13 53.57 0.10 . . . . . . . . . . 5736 1 240 . 1 1 67 67 TYR CB C 13 40.74 0.10 . . . . . . . . . . 5736 1 241 . 1 1 68 68 PRO CA C 13 65.77 0.10 . . . . . . . . . . 5736 1 242 . 1 1 68 68 PRO CB C 13 37.61 0.10 . . . . . . . . . . 5736 1 243 . 1 1 68 68 PRO C C 13 176.99 0.10 . . . . . . . . . . 5736 1 244 . 1 1 69 69 THR N N 15 104.50 0.10 . . . . . . . . . . 5736 1 245 . 1 1 69 69 THR H H 1 7.57 0.01 . . . . . . . . . . 5736 1 246 . 1 1 69 69 THR CA C 13 62.13 0.10 . . . . . . . . . . 5736 1 247 . 1 1 69 69 THR CB C 13 70.01 0.10 . . . . . . . . . . 5736 1 248 . 1 1 69 69 THR C C 13 173.82 0.10 . . . . . . . . . . 5736 1 249 . 1 1 70 70 ILE N N 15 123.29 0.10 . . . . . . . . . . 5736 1 250 . 1 1 70 70 ILE H H 1 7.82 0.01 . . . . . . . . . . 5736 1 251 . 1 1 70 70 ILE CA C 13 62.26 0.10 . . . . . . . . . . 5736 1 252 . 1 1 70 70 ILE CB C 13 38.36 0.10 . . . . . . . . . . 5736 1 253 . 1 1 70 70 ILE C C 13 175.74 0.10 . . . . . . . . . . 5736 1 254 . 1 1 71 71 SER N N 15 125.19 0.10 . . . . . . . . . . 5736 1 255 . 1 1 71 71 SER H H 1 8.92 0.01 . . . . . . . . . . 5736 1 256 . 1 1 71 71 SER CA C 13 59.17 0.10 . . . . . . . . . . 5736 1 257 . 1 1 71 71 SER CB C 13 64.35 0.10 . . . . . . . . . . 5736 1 258 . 1 1 71 71 SER C C 13 174.79 0.10 . . . . . . . . . . 5736 1 259 . 1 1 72 72 LEU N N 15 121.59 0.10 . . . . . . . . . . 5736 1 260 . 1 1 72 72 LEU H H 1 7.65 0.01 . . . . . . . . . . 5736 1 261 . 1 1 72 72 LEU CA C 13 56.06 0.10 . . . . . . . . . . 5736 1 262 . 1 1 72 72 LEU CB C 13 46.06 0.10 . . . . . . . . . . 5736 1 263 . 1 1 73 73 HIS H H 1 8.13 0.01 . . . . . . . . . . 5736 1 264 . 1 1 73 73 HIS CA C 13 55.34 0.10 . . . . . . . . . . 5736 1 265 . 1 1 73 73 HIS CB C 13 34.96 0.10 . . . . . . . . . . 5736 1 266 . 1 1 73 73 HIS C C 13 173.53 0.10 . . . . . . . . . . 5736 1 267 . 1 1 74 74 ALA N N 15 121.80 0.10 . . . . . . . . . . 5736 1 268 . 1 1 74 74 ALA H H 1 9.34 0.01 . . . . . . . . . . 5736 1 269 . 1 1 74 74 ALA CA C 13 52.31 0.10 . . . . . . . . . . 5736 1 270 . 1 1 74 74 ALA CB C 13 22.94 0.10 . . . . . . . . . . 5736 1 271 . 1 1 74 74 ALA C C 13 177.74 0.10 . . . . . . . . . . 5736 1 272 . 1 1 75 75 VAL N N 15 119.71 0.10 . . . . . . . . . . 5736 1 273 . 1 1 75 75 VAL H H 1 8.40 0.01 . . . . . . . . . . 5736 1 274 . 1 1 75 75 VAL CA C 13 56.88 0.10 . . . . . . . . . . 5736 1 275 . 1 1 75 75 VAL CB C 13 30.47 0.10 . . . . . . . . . . 5736 1 276 . 1 1 75 75 VAL C C 13 176.58 0.10 . . . . . . . . . . 5736 1 277 . 1 1 76 76 SER N N 15 117.16 0.10 . . . . . . . . . . 5736 1 278 . 1 1 76 76 SER H H 1 8.45 0.01 . . . . . . . . . . 5736 1 279 . 1 1 76 76 SER CA C 13 58.46 0.10 . . . . . . . . . . 5736 1 280 . 1 1 76 76 SER CB C 13 63.71 0.10 . . . . . . . . . . 5736 1 281 . 1 1 77 77 ARG N N 15 123.92 0.10 . . . . . . . . . . 5736 1 282 . 1 1 77 77 ARG H H 1 8.43 0.01 . . . . . . . . . . 5736 1 283 . 1 1 77 77 ARG CA C 13 56.69 0.10 . . . . . . . . . . 5736 1 284 . 1 1 77 77 ARG CB C 13 32.94 0.10 . . . . . . . . . . 5736 1 285 . 1 1 78 78 ASP CA C 13 53.54 0.10 . . . . . . . . . . 5736 1 286 . 1 1 78 78 ASP CB C 13 40.73 0.10 . . . . . . . . . . 5736 1 287 . 1 1 78 78 ASP C C 13 177.00 0.10 . . . . . . . . . . 5736 1 288 . 1 1 79 79 LEU N N 15 126.79 0.10 . . . . . . . . . . 5736 1 289 . 1 1 79 79 LEU H H 1 8.65 0.01 . . . . . . . . . . 5736 1 290 . 1 1 79 79 LEU CA C 13 55.58 0.10 . . . . . . . . . . 5736 1 291 . 1 1 79 79 LEU CB C 13 39.82 0.10 . . . . . . . . . . 5736 1 292 . 1 1 79 79 LEU C C 13 176.14 0.10 . . . . . . . . . . 5736 1 293 . 1 1 80 80 ASN N N 15 116.29 0.10 . . . . . . . . . . 5736 1 294 . 1 1 80 80 ASN H H 1 8.34 0.01 . . . . . . . . . . 5736 1 295 . 1 1 80 80 ASN CA C 13 54.92 0.10 . . . . . . . . . . 5736 1 296 . 1 1 80 80 ASN CB C 13 38.69 0.10 . . . . . . . . . . 5736 1 297 . 1 1 80 80 ASN C C 13 176.14 0.10 . . . . . . . . . . 5736 1 298 . 1 1 81 81 ALA N N 15 122.65 0.10 . . . . . . . . . . 5736 1 299 . 1 1 81 81 ALA H H 1 7.54 0.01 . . . . . . . . . . 5736 1 300 . 1 1 81 81 ALA CA C 13 53.65 0.10 . . . . . . . . . . 5736 1 301 . 1 1 81 81 ALA CB C 13 19.44 0.10 . . . . . . . . . . 5736 1 302 . 1 1 81 81 ALA C C 13 177.51 0.10 . . . . . . . . . . 5736 1 303 . 1 1 82 82 TYR N N 15 117.98 0.10 . . . . . . . . . . 5736 1 304 . 1 1 82 82 TYR H H 1 7.54 0.01 . . . . . . . . . . 5736 1 305 . 1 1 82 82 TYR CA C 13 57.18 0.10 . . . . . . . . . . 5736 1 306 . 1 1 82 82 TYR CB C 13 41.71 0.10 . . . . . . . . . . 5736 1 307 . 1 1 83 83 PRO CA C 13 65.46 0.10 . . . . . . . . . . 5736 1 308 . 1 1 83 83 PRO CB C 13 32.01 0.10 . . . . . . . . . . 5736 1 309 . 1 1 83 83 PRO C C 13 175.47 0.10 . . . . . . . . . . 5736 1 310 . 1 1 84 84 ARG N N 15 116.50 0.10 . . . . . . . . . . 5736 1 311 . 1 1 84 84 ARG H H 1 7.00 0.01 . . . . . . . . . . 5736 1 312 . 1 1 84 84 ARG CA C 13 54.62 0.10 . . . . . . . . . . 5736 1 313 . 1 1 84 84 ARG CB C 13 35.92 0.10 . . . . . . . . . . 5736 1 314 . 1 1 84 84 ARG C C 13 175.79 0.10 . . . . . . . . . . 5736 1 315 . 1 1 85 85 GLU N N 15 127.11 0.10 . . . . . . . . . . 5736 1 316 . 1 1 85 85 GLU H H 1 9.88 0.01 . . . . . . . . . . 5736 1 317 . 1 1 85 85 GLU CA C 13 58.34 0.10 . . . . . . . . . . 5736 1 318 . 1 1 85 85 GLU CB C 13 29.29 0.10 . . . . . . . . . . 5736 1 319 . 1 1 85 85 GLU C C 13 175.96 0.10 . . . . . . . . . . 5736 1 320 . 1 1 86 86 HIS N N 15 115.44 0.10 . . . . . . . . . . 5736 1 321 . 1 1 86 86 HIS H H 1 8.73 0.01 . . . . . . . . . . 5736 1 322 . 1 1 86 86 HIS CA C 13 56.42 0.10 . . . . . . . . . . 5736 1 323 . 1 1 86 86 HIS CB C 13 32.13 0.10 . . . . . . . . . . 5736 1 324 . 1 1 86 86 HIS C C 13 171.06 0.10 . . . . . . . . . . 5736 1 325 . 1 1 87 87 LEU N N 15 121.70 0.10 . . . . . . . . . . 5736 1 326 . 1 1 87 87 LEU H H 1 8.92 0.01 . . . . . . . . . . 5736 1 327 . 1 1 87 87 LEU CA C 13 54.06 0.10 . . . . . . . . . . 5736 1 328 . 1 1 87 87 LEU CB C 13 45.18 0.10 . . . . . . . . . . 5736 1 329 . 1 1 87 87 LEU C C 13 174.17 0.10 . . . . . . . . . . 5736 1 330 . 1 1 88 88 TYR N N 15 132.19 0.10 . . . . . . . . . . 5736 1 331 . 1 1 88 88 TYR H H 1 9.72 0.01 . . . . . . . . . . 5736 1 332 . 1 1 88 88 TYR CA C 13 56.95 0.10 . . . . . . . . . . 5736 1 333 . 1 1 88 88 TYR CB C 13 40.94 0.10 . . . . . . . . . . 5736 1 334 . 1 1 88 88 TYR C C 13 174.03 0.10 . . . . . . . . . . 5736 1 335 . 1 1 89 89 VAL N N 15 126.68 0.10 . . . . . . . . . . 5736 1 336 . 1 1 89 89 VAL H H 1 8.93 0.01 . . . . . . . . . . 5736 1 337 . 1 1 89 89 VAL CA C 13 61.52 0.10 . . . . . . . . . . 5736 1 338 . 1 1 89 89 VAL CB C 13 36.41 0.10 . . . . . . . . . . 5736 1 339 . 1 1 89 89 VAL C C 13 173.02 0.10 . . . . . . . . . . 5736 1 340 . 1 1 90 90 MET N N 15 127.32 0.10 . . . . . . . . . . 5736 1 341 . 1 1 90 90 MET H H 1 9.00 0.01 . . . . . . . . . . 5736 1 342 . 1 1 90 90 MET CA C 13 53.72 0.10 . . . . . . . . . . 5736 1 343 . 1 1 90 90 MET CB C 13 32.73 0.10 . . . . . . . . . . 5736 1 344 . 1 1 90 90 MET C C 13 173.91 0.10 . . . . . . . . . . 5736 1 345 . 1 1 91 91 VAL N N 15 124.38 0.10 . . . . . . . . . . 5736 1 346 . 1 1 91 91 VAL H H 1 9.06 0.01 . . . . . . . . . . 5736 1 347 . 1 1 91 91 VAL CA C 13 60.56 0.10 . . . . . . . . . . 5736 1 348 . 1 1 91 91 VAL CB C 13 35.95 0.10 . . . . . . . . . . 5736 1 349 . 1 1 91 91 VAL C C 13 175.07 0.10 . . . . . . . . . . 5736 1 350 . 1 1 92 92 ASN N N 15 126.04 0.10 . . . . . . . . . . 5736 1 351 . 1 1 92 92 ASN H H 1 9.11 0.01 . . . . . . . . . . 5736 1 352 . 1 1 92 92 ASN CA C 13 52.47 0.10 . . . . . . . . . . 5736 1 353 . 1 1 92 92 ASN CB C 13 38.23 0.10 . . . . . . . . . . 5736 1 354 . 1 1 92 92 ASN C C 13 173.82 0.10 . . . . . . . . . . 5736 1 355 . 1 1 93 93 ALA N N 15 123.08 0.10 . . . . . . . . . . 5736 1 356 . 1 1 93 93 ALA H H 1 7.87 0.01 . . . . . . . . . . 5736 1 357 . 1 1 93 93 ALA CA C 13 52.12 0.10 . . . . . . . . . . 5736 1 358 . 1 1 93 93 ALA CB C 13 21.27 0.10 . . . . . . . . . . 5736 1 359 . 1 1 93 93 ALA C C 13 174.91 0.10 . . . . . . . . . . 5736 1 360 . 1 1 94 94 LYS N N 15 118.41 0.10 . . . . . . . . . . 5736 1 361 . 1 1 94 94 LYS H H 1 8.11 0.01 . . . . . . . . . . 5736 1 362 . 1 1 94 94 LYS CA C 13 55.95 0.10 . . . . . . . . . . 5736 1 363 . 1 1 94 94 LYS CB C 13 33.53 0.10 . . . . . . . . . . 5736 1 364 . 1 1 95 95 PHE H H 1 8.36 0.01 . . . . . . . . . . 5736 1 365 . 1 1 95 95 PHE CA C 13 57.85 0.10 . . . . . . . . . . 5736 1 366 . 1 1 95 95 PHE CB C 13 40.89 0.10 . . . . . . . . . . 5736 1 367 . 1 1 95 95 PHE C C 13 175.58 0.10 . . . . . . . . . . 5736 1 368 . 1 1 96 96 GLY N N 15 110.14 0.10 . . . . . . . . . . 5736 1 369 . 1 1 96 96 GLY H H 1 8.33 0.01 . . . . . . . . . . 5736 1 370 . 1 1 96 96 GLY CA C 13 45.34 0.10 . . . . . . . . . . 5736 1 371 . 1 1 98 98 GLU CA C 13 63.24 0.10 . . . . . . . . . . 5736 1 372 . 1 1 98 98 GLU CB C 13 32.16 0.10 . . . . . . . . . . 5736 1 373 . 1 1 98 98 GLU C C 13 175.48 0.10 . . . . . . . . . . 5736 1 374 . 1 1 99 99 SER N N 15 122.44 0.10 . . . . . . . . . . 5736 1 375 . 1 1 99 99 SER H H 1 8.85 0.01 . . . . . . . . . . 5736 1 376 . 1 1 99 99 SER CA C 13 56.69 0.10 . . . . . . . . . . 5736 1 377 . 1 1 99 99 SER CB C 13 63.70 0.10 . . . . . . . . . . 5736 1 378 . 1 1 100 100 LYS CA C 13 54.56 0.10 . . . . . . . . . . 5736 1 379 . 1 1 100 100 LYS CB C 13 30.63 0.10 . . . . . . . . . . 5736 1 380 . 1 1 100 100 LYS C C 13 178.75 0.10 . . . . . . . . . . 5736 1 381 . 1 1 101 101 GLU N N 15 125.83 0.10 . . . . . . . . . . 5736 1 382 . 1 1 101 101 GLU H H 1 9.14 0.01 . . . . . . . . . . 5736 1 383 . 1 1 101 101 GLU CA C 13 64.60 0.10 . . . . . . . . . . 5736 1 384 . 1 1 101 101 GLU CB C 13 35.86 0.10 . . . . . . . . . . 5736 1 385 . 1 1 102 102 SER CA C 13 58.40 0.10 . . . . . . . . . . 5736 1 386 . 1 1 102 102 SER CB C 13 63.92 0.10 . . . . . . . . . . 5736 1 387 . 1 1 102 102 SER C C 13 174.46 0.10 . . . . . . . . . . 5736 1 388 . 1 1 103 103 VAL N N 15 121.55 0.10 . . . . . . . . . . 5736 1 389 . 1 1 103 103 VAL H H 1 8.14 0.01 . . . . . . . . . . 5736 1 390 . 1 1 103 103 VAL CA C 13 62.03 0.10 . . . . . . . . . . 5736 1 391 . 1 1 103 103 VAL CB C 13 32.82 0.10 . . . . . . . . . . 5736 1 392 . 1 1 103 103 VAL C C 13 175.87 0.10 . . . . . . . . . . 5736 1 393 . 1 1 104 104 ALA N N 15 127.42 0.10 . . . . . . . . . . 5736 1 394 . 1 1 104 104 ALA H H 1 8.36 0.01 . . . . . . . . . . 5736 1 395 . 1 1 104 104 ALA CA C 13 52.76 0.10 . . . . . . . . . . 5736 1 396 . 1 1 104 104 ALA CB C 13 19.21 0.10 . . . . . . . . . . 5736 1 397 . 1 1 104 104 ALA C C 13 177.66 0.10 . . . . . . . . . . 5736 1 398 . 1 1 105 105 GLU N N 15 118.09 0.10 . . . . . . . . . . 5736 1 399 . 1 1 105 105 GLU H H 1 8.25 0.01 . . . . . . . . . . 5736 1 400 . 1 1 112 112 ASP C C 13 175.90 0.10 . . . . . . . . . . 5736 1 401 . 1 1 113 113 VAL N N 15 119.68 0.10 . . . . . . . . . . 5736 1 402 . 1 1 113 113 VAL H H 1 7.88 0.01 . . . . . . . . . . 5736 1 403 . 1 1 113 113 VAL CA C 13 62.04 0.10 . . . . . . . . . . 5736 1 404 . 1 1 113 113 VAL CB C 13 33.04 0.10 . . . . . . . . . . 5736 1 405 . 1 1 113 113 VAL C C 13 176.00 0.10 . . . . . . . . . . 5736 1 406 . 1 1 114 114 GLU N N 15 126.58 0.10 . . . . . . . . . . 5736 1 407 . 1 1 114 114 GLU H H 1 8.50 0.01 . . . . . . . . . . 5736 1 408 . 1 1 114 114 GLU CA C 13 54.35 0.10 . . . . . . . . . . 5736 1 409 . 1 1 114 114 GLU CB C 13 29.98 0.10 . . . . . . . . . . 5736 1 410 . 1 1 116 116 ILE N N 15 119.25 0.10 . . . . . . . . . . 5736 1 411 . 1 1 116 116 ILE H H 1 7.90 0.01 . . . . . . . . . . 5736 1 412 . 1 1 116 116 ILE CA C 13 60.13 0.10 . . . . . . . . . . 5736 1 413 . 1 1 116 116 ILE CB C 13 41.09 0.10 . . . . . . . . . . 5736 1 414 . 1 1 116 116 ILE C C 13 175.10 0.10 . . . . . . . . . . 5736 1 415 . 1 1 117 117 ALA N N 15 129.01 0.10 . . . . . . . . . . 5736 1 416 . 1 1 117 117 ALA H H 1 8.97 0.01 . . . . . . . . . . 5736 1 417 . 1 1 117 117 ALA CA C 13 51.06 0.10 . . . . . . . . . . 5736 1 418 . 1 1 117 117 ALA CB C 13 21.69 0.10 . . . . . . . . . . 5736 1 419 . 1 1 117 117 ALA C C 13 174.82 0.10 . . . . . . . . . . 5736 1 420 . 1 1 118 118 GLU H H 1 8.23 0.01 . . . . . . . . . . 5736 1 421 . 1 1 118 118 GLU CA C 13 55.15 0.10 . . . . . . . . . . 5736 1 422 . 1 1 118 118 GLU CB C 13 32.68 0.10 . . . . . . . . . . 5736 1 423 . 1 1 118 118 GLU C C 13 174.78 0.10 . . . . . . . . . . 5736 1 424 . 1 1 119 119 PHE N N 15 126.04 0.10 . . . . . . . . . . 5736 1 425 . 1 1 119 119 PHE H H 1 9.37 0.01 . . . . . . . . . . 5736 1 426 . 1 1 119 119 PHE CA C 13 56.66 0.10 . . . . . . . . . . 5736 1 427 . 1 1 119 119 PHE CB C 13 42.24 0.10 . . . . . . . . . . 5736 1 428 . 1 1 119 119 PHE C C 13 175.00 0.10 . . . . . . . . . . 5736 1 429 . 1 1 120 120 ARG N N 15 117.14 0.10 . . . . . . . . . . 5736 1 430 . 1 1 120 120 ARG H H 1 8.63 0.01 . . . . . . . . . . 5736 1 431 . 1 1 120 120 ARG CA C 13 54.20 0.10 . . . . . . . . . . 5736 1 432 . 1 1 120 120 ARG CB C 13 32.19 0.10 . . . . . . . . . . 5736 1 433 . 1 1 120 120 ARG C C 13 174.52 0.10 . . . . . . . . . . 5736 1 434 . 1 1 121 121 PHE N N 15 120.32 0.10 . . . . . . . . . . 5736 1 435 . 1 1 121 121 PHE H H 1 9.45 0.01 . . . . . . . . . . 5736 1 436 . 1 1 121 121 PHE CA C 13 56.41 0.10 . . . . . . . . . . 5736 1 437 . 1 1 121 121 PHE CB C 13 40.62 0.10 . . . . . . . . . . 5736 1 438 . 1 1 121 121 PHE C C 13 175.56 0.10 . . . . . . . . . . 5736 1 439 . 1 1 122 122 VAL N N 15 126.58 0.10 . . . . . . . . . . 5736 1 440 . 1 1 122 122 VAL H H 1 9.55 0.01 . . . . . . . . . . 5736 1 441 . 1 1 122 122 VAL CA C 13 58.89 0.10 . . . . . . . . . . 5736 1 442 . 1 1 122 122 VAL CB C 13 32.91 0.10 . . . . . . . . . . 5736 1 443 . 1 1 123 123 PRO CA C 13 62.77 0.10 . . . . . . . . . . 5736 1 444 . 1 1 123 123 PRO CB C 13 31.66 0.10 . . . . . . . . . . 5736 1 445 . 1 1 123 123 PRO C C 13 176.34 0.10 . . . . . . . . . . 5736 1 446 . 1 1 124 124 SER N N 15 118.83 0.10 . . . . . . . . . . 5736 1 447 . 1 1 124 124 SER H H 1 8.71 0.01 . . . . . . . . . . 5736 1 448 . 1 1 124 124 SER CA C 13 63.32 0.10 . . . . . . . . . . 5736 1 449 . 1 1 124 124 SER CB C 13 61.12 0.10 . . . . . . . . . . 5736 1 450 . 1 1 124 124 SER C C 13 174.91 0.10 . . . . . . . . . . 5736 1 451 . 1 1 125 125 ASP N N 15 117.56 0.10 . . . . . . . . . . 5736 1 452 . 1 1 125 125 ASP H H 1 7.62 0.01 . . . . . . . . . . 5736 1 453 . 1 1 125 125 ASP CA C 13 51.88 0.10 . . . . . . . . . . 5736 1 454 . 1 1 125 125 ASP CB C 13 40.31 0.10 . . . . . . . . . . 5736 1 455 . 1 1 125 125 ASP C C 13 175.20 0.10 . . . . . . . . . . 5736 1 456 . 1 1 126 126 LYS N N 15 123.29 0.10 . . . . . . . . . . 5736 1 457 . 1 1 126 126 LYS H H 1 8.56 0.01 . . . . . . . . . . 5736 1 458 . 1 1 126 126 LYS CA C 13 58.30 0.10 . . . . . . . . . . 5736 1 459 . 1 1 126 126 LYS CB C 13 31.78 0.10 . . . . . . . . . . 5736 1 460 . 1 1 126 126 LYS C C 13 178.76 0.10 . . . . . . . . . . 5736 1 461 . 1 1 127 127 SER N N 15 117.14 0.10 . . . . . . . . . . 5736 1 462 . 1 1 127 127 SER H H 1 8.53 0.01 . . . . . . . . . . 5736 1 463 . 1 1 127 127 SER CA C 13 60.96 0.10 . . . . . . . . . . 5736 1 464 . 1 1 127 127 SER CB C 13 63.12 0.10 . . . . . . . . . . 5736 1 465 . 1 1 127 127 SER C C 13 175.17 0.10 . . . . . . . . . . 5736 1 466 . 1 1 128 128 ALA N N 15 123.71 0.10 . . . . . . . . . . 5736 1 467 . 1 1 128 128 ALA H H 1 7.46 0.01 . . . . . . . . . . 5736 1 468 . 1 1 128 128 ALA CA C 13 53.09 0.10 . . . . . . . . . . 5736 1 469 . 1 1 128 128 ALA CB C 13 19.64 0.10 . . . . . . . . . . 5736 1 470 . 1 1 128 128 ALA C C 13 177.78 0.10 . . . . . . . . . . 5736 1 471 . 1 1 129 129 LEU N N 15 116.71 0.10 . . . . . . . . . . 5736 1 472 . 1 1 129 129 LEU H H 1 7.20 0.01 . . . . . . . . . . 5736 1 473 . 1 1 129 129 LEU CA C 13 58.95 0.10 . . . . . . . . . . 5736 1 474 . 1 1 129 129 LEU CB C 13 41.87 0.10 . . . . . . . . . . 5736 1 475 . 1 1 129 129 LEU C C 13 178.15 0.10 . . . . . . . . . . 5736 1 476 . 1 1 130 130 GLU N N 15 118.09 0.10 . . . . . . . . . . 5736 1 477 . 1 1 130 130 GLU H H 1 8.32 0.01 . . . . . . . . . . 5736 1 478 . 1 1 130 130 GLU CA C 13 60.88 0.10 . . . . . . . . . . 5736 1 479 . 1 1 130 130 GLU CB C 13 28.56 0.10 . . . . . . . . . . 5736 1 480 . 1 1 130 130 GLU C C 13 178.93 0.10 . . . . . . . . . . 5736 1 481 . 1 1 131 131 ALA N N 15 123.82 0.10 . . . . . . . . . . 5736 1 482 . 1 1 131 131 ALA H H 1 8.32 0.01 . . . . . . . . . . 5736 1 483 . 1 1 131 131 ALA CA C 13 55.39 0.10 . . . . . . . . . . 5736 1 484 . 1 1 131 131 ALA CB C 13 18.07 0.10 . . . . . . . . . . 5736 1 485 . 1 1 131 131 ALA C C 13 181.40 0.10 . . . . . . . . . . 5736 1 486 . 1 1 132 132 MET N N 15 118.62 0.10 . . . . . . . . . . 5736 1 487 . 1 1 132 132 MET H H 1 8.31 0.01 . . . . . . . . . . 5736 1 488 . 1 1 132 132 MET CA C 13 59.44 0.10 . . . . . . . . . . 5736 1 489 . 1 1 132 132 MET CB C 13 35.64 0.10 . . . . . . . . . . 5736 1 490 . 1 1 132 132 MET C C 13 176.91 0.10 . . . . . . . . . . 5736 1 491 . 1 1 133 133 PHE N N 15 119.26 0.10 . . . . . . . . . . 5736 1 492 . 1 1 133 133 PHE H H 1 8.57 0.01 . . . . . . . . . . 5736 1 493 . 1 1 133 133 PHE CA C 13 62.37 0.10 . . . . . . . . . . 5736 1 494 . 1 1 133 133 PHE CB C 13 39.84 0.10 . . . . . . . . . . 5736 1 495 . 1 1 133 133 PHE C C 13 177.82 0.10 . . . . . . . . . . 5736 1 496 . 1 1 134 134 THR N N 15 117.56 0.10 . . . . . . . . . . 5736 1 497 . 1 1 134 134 THR H H 1 8.92 0.01 . . . . . . . . . . 5736 1 498 . 1 1 134 134 THR CA C 13 67.54 0.10 . . . . . . . . . . 5736 1 499 . 1 1 134 134 THR CB C 13 68.88 0.10 . . . . . . . . . . 5736 1 500 . 1 1 134 134 THR C C 13 176.08 0.10 . . . . . . . . . . 5736 1 501 . 1 1 135 135 ALA N N 15 122.97 0.10 . . . . . . . . . . 5736 1 502 . 1 1 135 135 ALA H H 1 7.99 0.01 . . . . . . . . . . 5736 1 503 . 1 1 135 135 ALA CA C 13 55.40 0.10 . . . . . . . . . . 5736 1 504 . 1 1 135 135 ALA CB C 13 18.46 0.10 . . . . . . . . . . 5736 1 505 . 1 1 135 135 ALA C C 13 179.45 0.10 . . . . . . . . . . 5736 1 506 . 1 1 136 136 MET N N 15 117.56 0.10 . . . . . . . . . . 5736 1 507 . 1 1 136 136 MET H H 1 8.11 0.01 . . . . . . . . . . 5736 1 508 . 1 1 136 136 MET CA C 13 59.81 0.10 . . . . . . . . . . 5736 1 509 . 1 1 136 136 MET CB C 13 31.95 0.10 . . . . . . . . . . 5736 1 510 . 1 1 136 136 MET C C 13 177.96 0.10 . . . . . . . . . . 5736 1 511 . 1 1 137 137 CYS N N 15 116.92 0.10 . . . . . . . . . . 5736 1 512 . 1 1 137 137 CYS H H 1 7.97 0.01 . . . . . . . . . . 5736 1 513 . 1 1 137 137 CYS CA C 13 63.45 0.10 . . . . . . . . . . 5736 1 514 . 1 1 137 137 CYS CB C 13 26.51 0.10 . . . . . . . . . . 5736 1 515 . 1 1 138 138 GLU H H 1 8.12 0.01 . . . . . . . . . . 5736 1 516 . 1 1 138 138 GLU CA C 13 59.36 0.10 . . . . . . . . . . 5736 1 517 . 1 1 138 138 GLU CB C 13 29.72 0.10 . . . . . . . . . . 5736 1 518 . 1 1 138 138 GLU C C 13 179.26 0.10 . . . . . . . . . . 5736 1 519 . 1 1 139 139 CYS N N 15 116.50 0.10 . . . . . . . . . . 5736 1 520 . 1 1 139 139 CYS H H 1 7.87 0.01 . . . . . . . . . . 5736 1 521 . 1 1 139 139 CYS CA C 13 63.93 0.10 . . . . . . . . . . 5736 1 522 . 1 1 139 139 CYS CB C 13 28.61 0.10 . . . . . . . . . . 5736 1 523 . 1 1 139 139 CYS C C 13 175.97 0.10 . . . . . . . . . . 5736 1 524 . 1 1 140 140 GLN N N 15 119.47 0.10 . . . . . . . . . . 5736 1 525 . 1 1 140 140 GLN H H 1 8.10 0.01 . . . . . . . . . . 5736 1 526 . 1 1 140 140 GLN CA C 13 59.06 0.10 . . . . . . . . . . 5736 1 527 . 1 1 140 140 GLN CB C 13 28.71 0.10 . . . . . . . . . . 5736 1 528 . 1 1 140 140 GLN C C 13 177.82 0.10 . . . . . . . . . . 5736 1 529 . 1 1 141 141 ALA N N 15 118.83 0.10 . . . . . . . . . . 5736 1 530 . 1 1 141 141 ALA H H 1 7.25 0.01 . . . . . . . . . . 5736 1 531 . 1 1 141 141 ALA CA C 13 53.34 0.10 . . . . . . . . . . 5736 1 532 . 1 1 141 141 ALA CB C 13 18.45 0.10 . . . . . . . . . . 5736 1 533 . 1 1 141 141 ALA C C 13 177.81 0.10 . . . . . . . . . . 5736 1 534 . 1 1 142 142 LEU N N 15 116.71 0.10 . . . . . . . . . . 5736 1 535 . 1 1 142 142 LEU H H 1 7.20 0.01 . . . . . . . . . . 5736 1 536 . 1 1 142 142 LEU CA C 13 55.13 0.10 . . . . . . . . . . 5736 1 537 . 1 1 142 142 LEU CB C 13 41.79 0.10 . . . . . . . . . . 5736 1 538 . 1 1 142 142 LEU C C 13 176.01 0.10 . . . . . . . . . . 5736 1 539 . 1 1 143 143 HIS N N 15 118.83 0.10 . . . . . . . . . . 5736 1 540 . 1 1 143 143 HIS H H 1 7.74 0.01 . . . . . . . . . . 5736 1 541 . 1 1 143 143 HIS CA C 13 53.65 0.10 . . . . . . . . . . 5736 1 542 . 1 1 143 143 HIS CB C 13 30.14 0.10 . . . . . . . . . . 5736 1 543 . 1 1 146 146 PRO CA C 13 63.62 0.10 . . . . . . . . . . 5736 1 544 . 1 1 146 146 PRO CB C 13 32.33 0.10 . . . . . . . . . . 5736 1 545 . 1 1 146 146 PRO C C 13 177.19 0.10 . . . . . . . . . . 5736 1 546 . 1 1 147 147 GLU N N 15 120.53 0.10 . . . . . . . . . . 5736 1 547 . 1 1 147 147 GLU H H 1 8.57 0.01 . . . . . . . . . . 5736 1 548 . 1 1 147 147 GLU CA C 13 56.69 0.10 . . . . . . . . . . 5736 1 549 . 1 1 147 147 GLU CB C 13 30.44 0.10 . . . . . . . . . . 5736 1 550 . 1 1 155 155 ASP CA C 13 54.16 0.10 . . . . . . . . . . 5736 1 551 . 1 1 155 155 ASP CB C 13 41.50 0.10 . . . . . . . . . . 5736 1 552 . 1 1 155 155 ASP C C 13 176.31 0.10 . . . . . . . . . . 5736 1 553 . 1 1 156 156 GLY N N 15 108.66 0.10 . . . . . . . . . . 5736 1 554 . 1 1 156 156 GLY H H 1 7.60 0.01 . . . . . . . . . . 5736 1 555 . 1 1 156 156 GLY CA C 13 45.52 0.10 . . . . . . . . . . 5736 1 556 . 1 1 156 156 GLY C C 13 173.35 0.10 . . . . . . . . . . 5736 1 557 . 1 1 157 157 GLU N N 15 124.88 0.10 . . . . . . . . . . 5736 1 558 . 1 1 157 157 GLU H H 1 7.91 0.01 . . . . . . . . . . 5736 1 559 . 1 1 157 157 GLU CA C 13 57.14 0.10 . . . . . . . . . . 5736 1 560 . 1 1 157 157 GLU CB C 13 30.47 0.10 . . . . . . . . . . 5736 1 561 . 1 1 162 162 GLU CA C 13 56.94 0.10 . . . . . . . . . . 5736 1 562 . 1 1 162 162 GLU CB C 13 30.19 0.10 . . . . . . . . . . 5736 1 563 . 1 1 162 162 GLU C C 13 176.48 0.10 . . . . . . . . . . 5736 1 564 . 1 1 163 163 ALA N N 15 124.35 0.10 . . . . . . . . . . 5736 1 565 . 1 1 163 163 ALA H H 1 8.10 0.01 . . . . . . . . . . 5736 1 566 . 1 1 163 163 ALA CA C 13 52.94 0.10 . . . . . . . . . . 5736 1 567 . 1 1 163 163 ALA CB C 13 19.19 0.10 . . . . . . . . . . 5736 1 568 . 1 1 166 166 GLN CA C 13 56.25 0.10 . . . . . . . . . . 5736 1 569 . 1 1 166 166 GLN CB C 13 29.56 0.10 . . . . . . . . . . 5736 1 570 . 1 1 166 166 GLN C C 13 176.54 0.10 . . . . . . . . . . 5736 1 571 . 1 1 167 167 GLY N N 15 110.78 0.10 . . . . . . . . . . 5736 1 572 . 1 1 167 167 GLY H H 1 8.49 0.01 . . . . . . . . . . 5736 1 573 . 1 1 167 167 GLY CA C 13 45.58 0.10 . . . . . . . . . . 5736 1 574 . 1 1 168 168 GLN N N 15 118.50 0.10 . . . . . . . . . . 5736 1 575 . 1 1 168 168 GLN H H 1 8.36 0.01 . . . . . . . . . . 5736 1 576 . 1 1 168 168 GLN CA C 13 57.53 0.10 . . . . . . . . . . 5736 1 577 . 1 1 168 168 GLN CB C 13 30.12 0.10 . . . . . . . . . . 5736 1 578 . 1 1 168 168 GLN C C 13 176.45 0.10 . . . . . . . . . . 5736 1 579 . 1 1 169 169 GLY N N 15 109.39 0.10 . . . . . . . . . . 5736 1 580 . 1 1 169 169 GLY H H 1 8.40 0.01 . . . . . . . . . . 5736 1 581 . 1 1 169 169 GLY CA C 13 45.65 0.10 . . . . . . . . . . 5736 1 582 . 1 1 169 169 GLY C C 13 173.69 0.10 . . . . . . . . . . 5736 1 583 . 1 1 170 170 ASP N N 15 120.35 0.10 . . . . . . . . . . 5736 1 584 . 1 1 170 170 ASP H H 1 8.26 0.01 . . . . . . . . . . 5736 1 585 . 1 1 170 170 ASP CA C 13 54.66 0.10 . . . . . . . . . . 5736 1 586 . 1 1 170 170 ASP CB C 13 41.67 0.10 . . . . . . . . . . 5736 1 587 . 1 1 170 170 ASP C C 13 175.90 0.10 . . . . . . . . . . 5736 1 588 . 1 1 171 171 ILE N N 15 121.97 0.10 . . . . . . . . . . 5736 1 589 . 1 1 171 171 ILE H H 1 8.04 0.01 . . . . . . . . . . 5736 1 590 . 1 1 171 171 ILE CA C 13 58.84 0.10 . . . . . . . . . . 5736 1 591 . 1 1 171 171 ILE CB C 13 38.66 0.10 . . . . . . . . . . 5736 1 592 . 1 1 171 171 ILE C C 13 174.61 0.10 . . . . . . . . . . 5736 1 593 . 1 1 172 172 PRO CA C 13 63.63 0.10 . . . . . . . . . . 5736 1 594 . 1 1 172 172 PRO CB C 13 32.47 0.10 . . . . . . . . . . 5736 1 595 . 1 1 172 172 PRO C C 13 176.75 0.10 . . . . . . . . . . 5736 1 596 . 1 1 173 173 THR N N 15 114.33 0.10 . . . . . . . . . . 5736 1 597 . 1 1 173 173 THR H H 1 8.09 0.01 . . . . . . . . . . 5736 1 598 . 1 1 173 173 THR CA C 13 62.40 0.10 . . . . . . . . . . 5736 1 599 . 1 1 173 173 THR CB C 13 70.34 0.10 . . . . . . . . . . 5736 1 600 . 1 1 173 173 THR C C 13 174.05 0.10 . . . . . . . . . . 5736 1 601 . 1 1 174 174 PHE N N 15 121.74 0.10 . . . . . . . . . . 5736 1 602 . 1 1 174 174 PHE H H 1 8.04 0.01 . . . . . . . . . . 5736 1 603 . 1 1 174 174 PHE CA C 13 57.72 0.10 . . . . . . . . . . 5736 1 604 . 1 1 174 174 PHE CB C 13 40.17 0.10 . . . . . . . . . . 5736 1 605 . 1 1 174 174 PHE C C 13 174.98 0.10 . . . . . . . . . . 5736 1 606 . 1 1 175 175 TYR N N 15 121.50 0.10 . . . . . . . . . . 5736 1 607 . 1 1 175 175 TYR H H 1 8.10 0.01 . . . . . . . . . . 5736 1 608 . 1 1 175 175 TYR CA C 13 58.15 0.10 . . . . . . . . . . 5736 1 609 . 1 1 175 175 TYR CB C 13 39.64 0.10 . . . . . . . . . . 5736 1 610 . 1 1 175 175 TYR C C 13 175.60 0.10 . . . . . . . . . . 5736 1 611 . 1 1 176 176 THR N N 15 115.49 0.10 . . . . . . . . . . 5736 1 612 . 1 1 176 176 THR H H 1 8.06 0.01 . . . . . . . . . . 5736 1 613 . 1 1 176 176 THR CA C 13 61.83 0.10 . . . . . . . . . . 5736 1 614 . 1 1 176 176 THR CB C 13 70.59 0.10 . . . . . . . . . . 5736 1 615 . 1 1 176 176 THR C C 13 173.98 0.10 . . . . . . . . . . 5736 1 616 . 1 1 177 177 TYR N N 15 122.43 0.10 . . . . . . . . . . 5736 1 617 . 1 1 177 177 TYR H H 1 8.23 0.01 . . . . . . . . . . 5736 1 618 . 1 1 177 177 TYR CA C 13 58.83 0.10 . . . . . . . . . . 5736 1 619 . 1 1 177 177 TYR CB C 13 39.06 0.10 . . . . . . . . . . 5736 1 620 . 1 1 177 177 TYR C C 13 175.96 0.10 . . . . . . . . . . 5736 1 621 . 1 1 178 178 GLU N N 15 122.43 0.10 . . . . . . . . . . 5736 1 622 . 1 1 178 178 GLU H H 1 8.37 0.01 . . . . . . . . . . 5736 1 623 . 1 1 178 178 GLU CA C 13 57.16 0.10 . . . . . . . . . . 5736 1 624 . 1 1 178 178 GLU CB C 13 30.28 0.10 . . . . . . . . . . 5736 1 625 . 1 1 178 178 GLU C C 13 176.59 0.10 . . . . . . . . . . 5736 1 626 . 1 1 179 179 GLU CA C 13 56.66 0.10 . . . . . . . . . . 5736 1 627 . 1 1 179 179 GLU CB C 13 30.15 0.10 . . . . . . . . . . 5736 1 628 . 1 1 179 179 GLU C C 13 177.40 0.10 . . . . . . . . . . 5736 1 629 . 1 1 180 180 GLY N N 15 109.94 0.10 . . . . . . . . . . 5736 1 630 . 1 1 180 180 GLY H H 1 8.40 0.01 . . . . . . . . . . 5736 1 631 . 1 1 180 180 GLY CA C 13 45.43 0.10 . . . . . . . . . . 5736 1 632 . 1 1 180 180 GLY C C 13 174.60 0.10 . . . . . . . . . . 5736 1 633 . 1 1 181 181 LEU N N 15 121.00 0.10 . . . . . . . . . . 5736 1 634 . 1 1 181 181 LEU H H 1 7.95 0.01 . . . . . . . . . . 5736 1 635 . 1 1 181 181 LEU CA C 13 55.84 0.10 . . . . . . . . . . 5736 1 636 . 1 1 181 181 LEU CB C 13 42.73 0.10 . . . . . . . . . . 5736 1 637 . 1 1 181 181 LEU C C 13 177.83 0.10 . . . . . . . . . . 5736 1 638 . 1 1 182 182 SER N N 15 115.72 0.10 . . . . . . . . . . 5736 1 639 . 1 1 182 182 SER H H 1 8.22 0.01 . . . . . . . . . . 5736 1 640 . 1 1 182 182 SER CA C 13 58.94 0.10 . . . . . . . . . . 5736 1 641 . 1 1 182 182 SER CB C 13 63.59 0.10 . . . . . . . . . . 5736 1 642 . 1 1 182 182 SER C C 13 174.66 0.10 . . . . . . . . . . 5736 1 643 . 1 1 183 183 HIS N N 15 119.65 0.10 . . . . . . . . . . 5736 1 644 . 1 1 183 183 HIS H H 1 8.10 0.01 . . . . . . . . . . 5736 1 645 . 1 1 183 183 HIS CA C 13 56.42 0.10 . . . . . . . . . . 5736 1 646 . 1 1 183 183 HIS CB C 13 29.86 0.10 . . . . . . . . . . 5736 1 647 . 1 1 183 183 HIS C C 13 176.74 0.10 . . . . . . . . . . 5736 1 648 . 1 1 184 184 LEU N N 15 122.43 0.10 . . . . . . . . . . 5736 1 649 . 1 1 184 184 LEU H H 1 8.24 0.01 . . . . . . . . . . 5736 1 650 . 1 1 184 184 LEU CA C 13 55.74 0.10 . . . . . . . . . . 5736 1 651 . 1 1 184 184 LEU CB C 13 42.81 0.10 . . . . . . . . . . 5736 1 652 . 1 1 184 184 LEU C C 13 177.70 0.10 . . . . . . . . . . 5736 1 653 . 1 1 185 185 THR N N 15 113.87 0.10 . . . . . . . . . . 5736 1 654 . 1 1 185 185 THR H H 1 8.07 0.01 . . . . . . . . . . 5736 1 655 . 1 1 185 185 THR CA C 13 61.95 0.10 . . . . . . . . . . 5736 1 656 . 1 1 185 185 THR CB C 13 70.72 0.10 . . . . . . . . . . 5736 1 657 . 1 1 185 185 THR C C 13 174.65 0.10 . . . . . . . . . . 5736 1 658 . 1 1 186 186 ALA N N 15 125.90 0.10 . . . . . . . . . . 5736 1 659 . 1 1 186 186 ALA H H 1 8.42 0.01 . . . . . . . . . . 5736 1 660 . 1 1 186 186 ALA CA C 13 53.64 0.10 . . . . . . . . . . 5736 1 661 . 1 1 186 186 ALA CB C 13 19.32 0.10 . . . . . . . . . . 5736 1 662 . 1 1 186 186 ALA C C 13 178.48 0.10 . . . . . . . . . . 5736 1 663 . 1 1 187 187 GLU N N 15 119.65 0.10 . . . . . . . . . . 5736 1 664 . 1 1 187 187 GLU H H 1 8.45 0.01 . . . . . . . . . . 5736 1 665 . 1 1 187 187 GLU CA C 13 57.84 0.10 . . . . . . . . . . 5736 1 666 . 1 1 187 187 GLU CB C 13 30.22 0.10 . . . . . . . . . . 5736 1 667 . 1 1 187 187 GLU C C 13 177.66 0.10 . . . . . . . . . . 5736 1 668 . 1 1 188 188 GLY N N 15 110.17 0.10 . . . . . . . . . . 5736 1 669 . 1 1 188 188 GLY H H 1 8.37 0.01 . . . . . . . . . . 5736 1 670 . 1 1 188 188 GLY CA C 13 46.15 0.10 . . . . . . . . . . 5736 1 671 . 1 1 188 188 GLY C C 13 174.71 0.10 . . . . . . . . . . 5736 1 672 . 1 1 189 189 GLN N N 15 120.35 0.10 . . . . . . . . . . 5736 1 673 . 1 1 189 189 GLN H H 1 8.21 0.01 . . . . . . . . . . 5736 1 674 . 1 1 189 189 GLN CA C 13 56.82 0.10 . . . . . . . . . . 5736 1 675 . 1 1 189 189 GLN CB C 13 29.64 0.10 . . . . . . . . . . 5736 1 676 . 1 1 189 189 GLN C C 13 176.30 0.10 . . . . . . . . . . 5736 1 677 . 1 1 190 190 ALA N N 15 124.28 0.10 . . . . . . . . . . 5736 1 678 . 1 1 190 190 ALA H H 1 8.31 0.01 . . . . . . . . . . 5736 1 679 . 1 1 190 190 ALA CA C 13 53.60 0.10 . . . . . . . . . . 5736 1 680 . 1 1 190 190 ALA CB C 13 19.27 0.10 . . . . . . . . . . 5736 1 681 . 1 1 190 190 ALA C C 13 178.51 0.10 . . . . . . . . . . 5736 1 682 . 1 1 191 191 THR N N 15 113.87 0.10 . . . . . . . . . . 5736 1 683 . 1 1 191 191 THR H H 1 8.11 0.01 . . . . . . . . . . 5736 1 684 . 1 1 191 191 THR CA C 13 63.19 0.10 . . . . . . . . . . 5736 1 685 . 1 1 191 191 THR CB C 13 70.05 0.10 . . . . . . . . . . 5736 1 686 . 1 1 191 191 THR C C 13 174.89 0.10 . . . . . . . . . . 5736 1 687 . 1 1 192 192 LEU N N 15 123.82 0.10 . . . . . . . . . . 5736 1 688 . 1 1 192 192 LEU H H 1 8.14 0.01 . . . . . . . . . . 5736 1 689 . 1 1 192 192 LEU CA C 13 56.20 0.10 . . . . . . . . . . 5736 1 690 . 1 1 192 192 LEU CB C 13 42.18 0.10 . . . . . . . . . . 5736 1 691 . 1 1 192 192 LEU C C 13 177.82 0.10 . . . . . . . . . . 5736 1 692 . 1 1 194 194 ARG CA C 13 56.90 0.10 . . . . . . . . . . 5736 1 693 . 1 1 194 194 ARG CB C 13 30.80 0.10 . . . . . . . . . . 5736 1 694 . 1 1 194 194 ARG C C 13 175.20 0.10 . . . . . . . . . . 5736 1 695 . 1 1 195 195 LEU N N 15 122.16 0.10 . . . . . . . . . . 5736 1 696 . 1 1 195 195 LEU H H 1 7.99 0.01 . . . . . . . . . . 5736 1 697 . 1 1 195 195 LEU CA C 13 55.35 0.10 . . . . . . . . . . 5736 1 698 . 1 1 195 195 LEU CB C 13 42.49 0.10 . . . . . . . . . . 5736 1 699 . 1 1 195 195 LEU C C 13 177.69 0.10 . . . . . . . . . . 5736 1 700 . 1 1 196 196 GLU CA C 13 57.84 0.10 . . . . . . . . . . 5736 1 701 . 1 1 196 196 GLU CB C 13 30.41 0.10 . . . . . . . . . . 5736 1 702 . 1 1 196 196 GLU C C 13 177.56 0.10 . . . . . . . . . . 5736 1 703 . 1 1 197 197 GLY N N 15 108.78 0.10 . . . . . . . . . . 5736 1 704 . 1 1 197 197 GLY H H 1 8.34 0.01 . . . . . . . . . . 5736 1 705 . 1 1 197 197 GLY CA C 13 45.64 0.10 . . . . . . . . . . 5736 1 706 . 1 1 197 197 GLY C C 13 174.64 0.10 . . . . . . . . . . 5736 1 707 . 1 1 203 203 VAL CA C 13 63.02 0.10 . . . . . . . . . . 5736 1 708 . 1 1 203 203 VAL CB C 13 33.09 0.10 . . . . . . . . . . 5736 1 709 . 1 1 203 203 VAL C C 13 176.46 0.10 . . . . . . . . . . 5736 1 710 . 1 1 204 204 SER N N 15 118.50 0.10 . . . . . . . . . . 5736 1 711 . 1 1 204 204 SER H H 1 8.36 0.01 . . . . . . . . . . 5736 1 712 . 1 1 204 204 SER CA C 13 58.70 0.10 . . . . . . . . . . 5736 1 713 . 1 1 204 204 SER CB C 13 63.68 0.10 . . . . . . . . . . 5736 1 714 . 1 1 204 204 SER C C 13 174.98 0.10 . . . . . . . . . . 5736 1 715 . 1 1 205 205 SER CA C 13 58.62 0.10 . . . . . . . . . . 5736 1 716 . 1 1 205 205 SER CB C 13 64.22 0.10 . . . . . . . . . . 5736 1 717 . 1 1 205 205 SER C C 13 177.11 0.10 . . . . . . . . . . 5736 1 718 . 1 1 206 206 GLN N N 15 121.27 0.10 . . . . . . . . . . 5736 1 719 . 1 1 206 206 GLN H H 1 8.16 0.01 . . . . . . . . . . 5736 1 720 . 1 1 206 206 GLN CA C 13 57.05 0.10 . . . . . . . . . . 5736 1 721 . 1 1 206 206 GLN CB C 13 30.98 0.10 . . . . . . . . . . 5736 1 722 . 1 1 206 206 GLN C C 13 176.77 0.10 . . . . . . . . . . 5736 1 723 . 1 1 207 207 TYR N N 15 122.89 0.10 . . . . . . . . . . 5736 1 724 . 1 1 207 207 TYR H H 1 8.22 0.01 . . . . . . . . . . 5736 1 725 . 1 1 207 207 TYR CA C 13 56.54 0.10 . . . . . . . . . . 5736 1 726 . 1 1 208 208 ASN CA C 13 53.76 0.10 . . . . . . . . . . 5736 1 727 . 1 1 208 208 ASN CB C 13 39.19 0.10 . . . . . . . . . . 5736 1 728 . 1 1 208 208 ASN C C 13 175.24 0.10 . . . . . . . . . . 5736 1 729 . 1 1 209 209 MET N N 15 120.81 0.10 . . . . . . . . . . 5736 1 730 . 1 1 209 209 MET H H 1 8.25 0.01 . . . . . . . . . . 5736 1 731 . 1 1 209 209 MET CA C 13 56.18 0.10 . . . . . . . . . . 5736 1 732 . 1 1 209 209 MET CB C 13 32.62 0.10 . . . . . . . . . . 5736 1 733 . 1 1 209 209 MET C C 13 176.09 0.10 . . . . . . . . . . 5736 1 734 . 1 1 210 210 ALA N N 15 124.28 0.10 . . . . . . . . . . 5736 1 735 . 1 1 210 210 ALA H H 1 8.22 0.01 . . . . . . . . . . 5736 1 736 . 1 1 210 210 ALA CA C 13 53.19 0.10 . . . . . . . . . . 5736 1 737 . 1 1 210 210 ALA CB C 13 19.43 0.10 . . . . . . . . . . 5736 1 738 . 1 1 210 210 ALA C C 13 178.20 0.10 . . . . . . . . . . 5736 1 739 . 1 1 211 211 GLY N N 15 108.08 0.10 . . . . . . . . . . 5736 1 740 . 1 1 211 211 GLY H H 1 8.29 0.01 . . . . . . . . . . 5736 1 741 . 1 1 211 211 GLY CA C 13 45.70 0.10 . . . . . . . . . . 5736 1 742 . 1 1 211 211 GLY C C 13 174.00 0.10 . . . . . . . . . . 5736 1 743 . 1 1 212 212 VAL N N 15 119.42 0.10 . . . . . . . . . . 5736 1 744 . 1 1 212 212 VAL H H 1 7.90 0.01 . . . . . . . . . . 5736 1 745 . 1 1 212 212 VAL CA C 13 62.63 0.10 . . . . . . . . . . 5736 1 746 . 1 1 212 212 VAL CB C 13 33.26 0.10 . . . . . . . . . . 5736 1 747 . 1 1 212 212 VAL C C 13 176.09 0.10 . . . . . . . . . . 5736 1 748 . 1 1 213 213 ARG N N 15 125.44 0.10 . . . . . . . . . . 5736 1 749 . 1 1 213 213 ARG H H 1 8.53 0.01 . . . . . . . . . . 5736 1 750 . 1 1 213 213 ARG CA C 13 56.33 0.10 . . . . . . . . . . 5736 1 751 . 1 1 213 213 ARG CB C 13 31.32 0.10 . . . . . . . . . . 5736 1 752 . 1 1 213 213 ARG C C 13 176.52 0.10 . . . . . . . . . . 5736 1 753 . 1 1 214 214 THR N N 15 116.64 0.10 . . . . . . . . . . 5736 1 754 . 1 1 214 214 THR H H 1 8.35 0.01 . . . . . . . . . . 5736 1 755 . 1 1 214 214 THR CA C 13 62.43 0.10 . . . . . . . . . . 5736 1 756 . 1 1 214 214 THR CB C 13 70.28 0.10 . . . . . . . . . . 5736 1 757 . 1 1 214 214 THR C C 13 174.86 0.10 . . . . . . . . . . 5736 1 758 . 1 1 215 215 GLU N N 15 122.89 0.10 . . . . . . . . . . 5736 1 759 . 1 1 215 215 GLU H H 1 8.65 0.01 . . . . . . . . . . 5736 1 760 . 1 1 215 215 GLU CA C 13 56.94 0.10 . . . . . . . . . . 5736 1 761 . 1 1 215 215 GLU CB C 13 30.20 0.10 . . . . . . . . . . 5736 1 762 . 1 1 215 215 GLU C C 13 176.23 0.10 . . . . . . . . . . 5736 1 763 . 1 1 216 216 ASP CA C 13 54.80 0.10 . . . . . . . . . . 5736 1 764 . 1 1 216 216 ASP CB C 13 41.64 0.10 . . . . . . . . . . 5736 1 765 . 1 1 216 216 ASP C C 13 176.52 0.10 . . . . . . . . . . 5736 1 766 . 1 1 217 217 SER N N 15 116.64 0.10 . . . . . . . . . . 5736 1 767 . 1 1 217 217 SER H H 1 8.32 0.01 . . . . . . . . . . 5736 1 768 . 1 1 217 217 SER CA C 13 59.13 0.10 . . . . . . . . . . 5736 1 769 . 1 1 217 217 SER CB C 13 64.22 0.10 . . . . . . . . . . 5736 1 770 . 1 1 217 217 SER C C 13 175.14 0.10 . . . . . . . . . . 5736 1 771 . 1 1 218 218 THR N N 15 115.72 0.10 . . . . . . . . . . 5736 1 772 . 1 1 218 218 THR H H 1 8.26 0.01 . . . . . . . . . . 5736 1 773 . 1 1 218 218 THR CA C 13 62.48 0.10 . . . . . . . . . . 5736 1 774 . 1 1 218 218 THR CB C 13 69.50 0.10 . . . . . . . . . . 5736 1 775 . 1 1 218 218 THR C C 13 174.65 0.10 . . . . . . . . . . 5736 1 776 . 1 1 219 219 ARG N N 15 122.93 0.10 . . . . . . . . . . 5736 1 777 . 1 1 219 219 ARG H H 1 8.18 0.01 . . . . . . . . . . 5736 1 778 . 1 1 219 219 ARG CA C 13 56.07 0.10 . . . . . . . . . . 5736 1 779 . 1 1 219 219 ARG CB C 13 30.99 0.10 . . . . . . . . . . 5736 1 780 . 1 1 219 219 ARG C C 13 175.43 0.10 . . . . . . . . . . 5736 1 781 . 1 1 220 220 ASP CA C 13 54.87 0.10 . . . . . . . . . . 5736 1 782 . 1 1 220 220 ASP CB C 13 41.53 0.10 . . . . . . . . . . 5736 1 783 . 1 1 220 220 ASP C C 13 175.81 0.10 . . . . . . . . . . 5736 1 784 . 1 1 221 221 TYR N N 15 119.89 0.10 . . . . . . . . . . 5736 1 785 . 1 1 221 221 TYR H H 1 8.06 0.01 . . . . . . . . . . 5736 1 786 . 1 1 221 221 TYR CA C 13 58.31 0.10 . . . . . . . . . . 5736 1 787 . 1 1 221 221 TYR CB C 13 39.30 0.10 . . . . . . . . . . 5736 1 788 . 1 1 221 221 TYR C C 13 175.81 0.10 . . . . . . . . . . 5736 1 789 . 1 1 222 222 GLU N N 15 122.43 0.10 . . . . . . . . . . 5736 1 790 . 1 1 222 222 GLU H H 1 8.27 0.01 . . . . . . . . . . 5736 1 791 . 1 1 222 222 GLU CA C 13 56.49 0.10 . . . . . . . . . . 5736 1 792 . 1 1 222 222 GLU CB C 13 30.60 0.10 . . . . . . . . . . 5736 1 793 . 1 1 222 222 GLU C C 13 176.03 0.10 . . . . . . . . . . 5736 1 794 . 1 1 223 223 ASP N N 15 121.39 0.10 . . . . . . . . . . 5736 1 795 . 1 1 223 223 ASP H H 1 8.32 0.01 . . . . . . . . . . 5736 1 796 . 1 1 223 223 ASP CA C 13 55.15 0.10 . . . . . . . . . . 5736 1 797 . 1 1 223 223 ASP CB C 13 41.68 0.10 . . . . . . . . . . 5736 1 798 . 1 1 223 223 ASP C C 13 176.92 0.10 . . . . . . . . . . 5736 1 799 . 1 1 224 224 GLY N N 15 109.47 0.10 . . . . . . . . . . 5736 1 800 . 1 1 224 224 GLY H H 1 8.41 0.01 . . . . . . . . . . 5736 1 801 . 1 1 224 224 GLY CA C 13 45.50 0.10 . . . . . . . . . . 5736 1 802 . 1 1 224 224 GLY C C 13 174.44 0.10 . . . . . . . . . . 5736 1 803 . 1 1 225 225 MET N N 15 119.65 0.10 . . . . . . . . . . 5736 1 804 . 1 1 225 225 MET H H 1 8.12 0.01 . . . . . . . . . . 5736 1 805 . 1 1 225 225 MET CA C 13 55.87 0.10 . . . . . . . . . . 5736 1 806 . 1 1 225 225 MET CB C 13 33.02 0.10 . . . . . . . . . . 5736 1 807 . 1 1 225 225 MET C C 13 176.18 0.10 . . . . . . . . . . 5736 1 808 . 1 1 226 226 GLU N N 15 122.43 0.10 . . . . . . . . . . 5736 1 809 . 1 1 226 226 GLU H H 1 8.54 0.01 . . . . . . . . . . 5736 1 810 . 1 1 226 226 GLU CA C 13 56.98 0.10 . . . . . . . . . . 5736 1 811 . 1 1 226 226 GLU CB C 13 30.45 0.10 . . . . . . . . . . 5736 1 812 . 1 1 226 226 GLU C C 13 176.35 0.10 . . . . . . . . . . 5736 1 813 . 1 1 227 227 VAL N N 15 121.04 0.10 . . . . . . . . . . 5736 1 814 . 1 1 227 227 VAL H H 1 8.15 0.01 . . . . . . . . . . 5736 1 815 . 1 1 227 227 VAL CA C 13 62.44 0.10 . . . . . . . . . . 5736 1 816 . 1 1 227 227 VAL CB C 13 33.53 0.10 . . . . . . . . . . 5736 1 817 . 1 1 227 227 VAL C C 13 175.70 0.10 . . . . . . . . . . 5736 1 818 . 1 1 228 228 ASP N N 15 124.28 0.10 . . . . . . . . . . 5736 1 819 . 1 1 228 228 ASP H H 1 8.48 0.01 . . . . . . . . . . 5736 1 820 . 1 1 228 228 ASP CA C 13 54.60 0.10 . . . . . . . . . . 5736 1 821 . 1 1 228 228 ASP CB C 13 41.62 0.10 . . . . . . . . . . 5736 1 822 . 1 1 228 228 ASP C C 13 176.50 0.10 . . . . . . . . . . 5736 1 823 . 1 1 229 229 THR N N 15 115.03 0.10 . . . . . . . . . . 5736 1 824 . 1 1 229 229 THR H H 1 8.21 0.01 . . . . . . . . . . 5736 1 825 . 1 1 229 229 THR CA C 13 61.87 0.10 . . . . . . . . . . 5736 1 826 . 1 1 229 229 THR CB C 13 70.10 0.10 . . . . . . . . . . 5736 1 827 . 1 1 229 229 THR C C 13 174.69 0.10 . . . . . . . . . . 5736 1 828 . 1 1 230 230 THR N N 15 120.12 0.10 . . . . . . . . . . 5736 1 829 . 1 1 230 230 THR H H 1 8.31 0.01 . . . . . . . . . . 5736 1 830 . 1 1 230 230 THR CA C 13 60.71 0.10 . . . . . . . . . . 5736 1 831 . 1 1 230 230 THR CB C 13 69.57 0.10 . . . . . . . . . . 5736 1 832 . 1 1 230 230 THR C C 13 172.92 0.10 . . . . . . . . . . 5736 1 833 . 1 1 231 231 PRO CA C 13 63.73 0.10 . . . . . . . . . . 5736 1 834 . 1 1 231 231 PRO CB C 13 32.53 0.10 . . . . . . . . . . 5736 1 835 . 1 1 231 231 PRO C C 13 177.07 0.10 . . . . . . . . . . 5736 1 836 . 1 1 232 232 THR N N 15 115.72 0.10 . . . . . . . . . . 5736 1 837 . 1 1 232 232 THR H H 1 8.32 0.01 . . . . . . . . . . 5736 1 838 . 1 1 232 232 THR CA C 13 62.61 0.10 . . . . . . . . . . 5736 1 839 . 1 1 232 232 THR CB C 13 70.24 0.10 . . . . . . . . . . 5736 1 840 . 1 1 232 232 THR C C 13 174.62 0.10 . . . . . . . . . . 5736 1 841 . 1 1 233 233 VAL N N 15 123.12 0.10 . . . . . . . . . . 5736 1 842 . 1 1 233 233 VAL H H 1 8.19 0.01 . . . . . . . . . . 5736 1 843 . 1 1 233 233 VAL CA C 13 62.40 0.10 . . . . . . . . . . 5736 1 844 . 1 1 233 233 VAL CB C 13 33.33 0.10 . . . . . . . . . . 5736 1 845 . 1 1 233 233 VAL C C 13 175.72 0.10 . . . . . . . . . . 5736 1 846 . 1 1 234 234 ALA N N 15 128.22 0.10 . . . . . . . . . . 5736 1 847 . 1 1 234 234 ALA H H 1 8.43 0.01 . . . . . . . . . . 5736 1 848 . 1 1 234 234 ALA CA C 13 53.05 0.10 . . . . . . . . . . 5736 1 849 . 1 1 234 234 ALA CB C 13 19.58 0.10 . . . . . . . . . . 5736 1 850 . 1 1 234 234 ALA C C 13 178.21 0.10 . . . . . . . . . . 5736 1 851 . 1 1 235 235 GLY N N 15 108.31 0.10 . . . . . . . . . . 5736 1 852 . 1 1 235 235 GLY H H 1 8.39 0.01 . . . . . . . . . . 5736 1 853 . 1 1 235 235 GLY CA C 13 45.87 0.10 . . . . . . . . . . 5736 1 854 . 1 1 235 235 GLY C C 13 173.94 0.10 . . . . . . . . . . 5736 1 855 . 1 1 236 236 GLN N N 15 119.65 0.10 . . . . . . . . . . 5736 1 856 . 1 1 236 236 GLN H H 1 8.12 0.01 . . . . . . . . . . 5736 1 857 . 1 1 236 236 GLN CA C 13 56.54 0.10 . . . . . . . . . . 5736 1 858 . 1 1 236 236 GLN CB C 13 29.87 0.10 . . . . . . . . . . 5736 1 859 . 1 1 236 236 GLN C C 13 176.67 0.10 . . . . . . . . . . 5736 1 860 . 1 1 237 237 PHE N N 15 120.81 0.10 . . . . . . . . . . 5736 1 861 . 1 1 237 237 PHE H H 1 8.34 0.01 . . . . . . . . . . 5736 1 862 . 1 1 237 237 PHE CA C 13 58.04 0.10 . . . . . . . . . . 5736 1 863 . 1 1 237 237 PHE CB C 13 39.79 0.10 . . . . . . . . . . 5736 1 864 . 1 1 237 237 PHE C C 13 175.72 0.10 . . . . . . . . . . 5736 1 865 . 1 1 238 238 GLU N N 15 122.43 0.10 . . . . . . . . . . 5736 1 866 . 1 1 238 238 GLU H H 1 8.39 0.01 . . . . . . . . . . 5736 1 867 . 1 1 238 238 GLU CA C 13 57.00 0.10 . . . . . . . . . . 5736 1 868 . 1 1 238 238 GLU CB C 13 30.84 0.10 . . . . . . . . . . 5736 1 869 . 1 1 238 238 GLU C C 13 175.94 0.10 . . . . . . . . . . 5736 1 870 . 1 1 239 239 ASP N N 15 121.74 0.10 . . . . . . . . . . 5736 1 871 . 1 1 239 239 ASP H H 1 8.35 0.01 . . . . . . . . . . 5736 1 872 . 1 1 239 239 ASP CA C 13 54.68 0.10 . . . . . . . . . . 5736 1 873 . 1 1 239 239 ASP CB C 13 41.58 0.10 . . . . . . . . . . 5736 1 874 . 1 1 239 239 ASP C C 13 175.96 0.10 . . . . . . . . . . 5736 1 875 . 1 1 240 240 ALA N N 15 124.17 0.10 . . . . . . . . . . 5736 1 876 . 1 1 240 240 ALA H H 1 8.22 0.01 . . . . . . . . . . 5736 1 877 . 1 1 240 240 ALA CA C 13 53.01 0.10 . . . . . . . . . . 5736 1 878 . 1 1 240 240 ALA CB C 13 19.87 0.10 . . . . . . . . . . 5736 1 879 . 1 1 240 240 ALA C C 13 177.48 0.10 . . . . . . . . . . 5736 1 880 . 1 1 241 241 ASP N N 15 119.65 0.10 . . . . . . . . . . 5736 1 881 . 1 1 241 241 ASP H H 1 8.39 0.01 . . . . . . . . . . 5736 1 882 . 1 1 241 241 ASP CA C 13 54.67 0.10 . . . . . . . . . . 5736 1 883 . 1 1 241 241 ASP CB C 13 41.45 0.10 . . . . . . . . . . 5736 1 884 . 1 1 241 241 ASP C C 13 176.23 0.10 . . . . . . . . . . 5736 1 885 . 1 1 242 242 VAL N N 15 118.50 0.10 . . . . . . . . . . 5736 1 886 . 1 1 242 242 VAL H H 1 7.90 0.01 . . . . . . . . . . 5736 1 887 . 1 1 242 242 VAL CA C 13 62.29 0.10 . . . . . . . . . . 5736 1 888 . 1 1 242 242 VAL CB C 13 33.38 0.10 . . . . . . . . . . 5736 1 889 . 1 1 242 242 VAL C C 13 175.77 0.10 . . . . . . . . . . 5736 1 890 . 1 1 243 243 ASP N N 15 123.59 0.10 . . . . . . . . . . 5736 1 891 . 1 1 243 243 ASP H H 1 8.34 0.01 . . . . . . . . . . 5736 1 892 . 1 1 243 243 ASP CA C 13 54.87 0.10 . . . . . . . . . . 5736 1 893 . 1 1 243 243 ASP CB C 13 41.57 0.10 . . . . . . . . . . 5736 1 894 . 1 1 243 243 ASP C C 13 175.16 0.10 . . . . . . . . . . 5736 1 895 . 1 1 244 244 HIS N N 15 123.59 0.10 . . . . . . . . . . 5736 1 896 . 1 1 244 244 HIS H H 1 7.85 0.01 . . . . . . . . . . 5736 1 897 . 1 1 244 244 HIS CA C 13 57.23 0.10 . . . . . . . . . . 5736 1 898 . 1 1 244 244 HIS CB C 13 30.36 0.10 . . . . . . . . . . 5736 1 899 . 1 1 244 244 HIS C C 13 179.00 0.10 . . . . . . . . . . 5736 1 stop_ save_