data_4909 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4909 _Entry.Title ; Assignment of 1H, 15N and 13C resonances of the carbohydrate recognition domain of human galectiin-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-05 _Entry.Accession_date 2000-12-06 _Entry.Last_release_date 2001-05-17 _Entry.Original_release_date 2001-05-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Kimiko Umemoto . . . 4909 2 Hakon Leffler . . . 4909 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4909 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 836 4909 '13C chemical shifts' 275 4909 '15N chemical shifts' 124 4909 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-05-17 2000-12-05 original author . 4909 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4909 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 15N and 13C resonances of the carbohydrate recognition domain of human galectin-3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 1 _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 91 _Citation.Page_last 92 _Citation.Year 2001 _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 Kimiko Umemoto . . . 4909 1 2 Hakon Leffler . . . 4909 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_galectin-3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_galectin-3 _Assembly.Entry_ID 4909 _Assembly.ID 1 _Assembly.Name 'human galectin-3' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 ; Galectin-3C, the C-terminal fragment of galectin-3, starts from aa 108 to the terminal aa 250. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4909 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 'C-terminal fragment of galectin-3' 1 $galectin-3C . . . native . . . . . 4909 1 2 lactose 2 $LAT . . . native . . . . . 4909 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1A3K . . . . . 'x-ray structure' 4909 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human galectin-3' system 4909 1 galectin-3 abbreviation 4909 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID lectin 4909 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_galectin-3C _Entity.Sf_category entity _Entity.Sf_framecode galectin-3C _Entity.Entry_ID 4909 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name galectin-3 _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 ; GAPAGPLIVPYNLPLPGGVV PRMLITILGTVKPNANRIAL DFQRGNDVAFHFNPRFNENN RRVIVCNTKLDNNWGREERQ SVFPFESGKPFKIQVLVEPD HFKVAVNDAHLLQYNHRVKK LNEISKLGISGDIDLTSASY TMI ; _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 143 _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 'Galectin-3C contains the carbohydrate recignition domain of galectin-3.' _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 BMRB 15705 . Galectin-3-LBT . . . . . 95.80 155 99.27 99.27 2.01e-93 . . . . 4909 1 2 no BMRB 19491 . Galectin-3 . . . . . 100.00 250 100.00 100.00 6.89e-99 . . . . 4909 1 3 no BMRB 7422 . Galectin-3-LBT . . . . . 95.80 155 99.27 99.27 2.01e-93 . . . . 4909 1 4 no PDB 1A3K . "X-Ray Crystal Structure Of The Human Galectin-3 Carbohydrate Recognition Domain (Crd) At 2.1 Angstrom Resolution" . . . . . 95.80 137 100.00 100.00 1.65e-94 . . . . 4909 1 5 no PDB 1KJL . "High Resolution X-Ray Structure Of Human Galectin-3 In Complex With Lacnac" . . . . . 100.00 146 100.00 100.00 4.52e-99 . . . . 4909 1 6 no PDB 1KJR . "Crystal Structure Of The Human Galectin-3 Crd In Complex With A 3'- Derivative Of N-Acetyllactosamine" . . . . . 100.00 146 100.00 100.00 4.52e-99 . . . . 4909 1 7 no PDB 2NMN . "Crystal Structure Of Human Galectin-3 Carbohydrate- Recognising Domain At 2.45 Angstrom Resolution" . . . . . 96.50 138 100.00 100.00 2.55e-95 . . . . 4909 1 8 no PDB 2NMO . "Crystal Structure Of Human Galectin-3 Carbohydrate-Recognition Domain At 1.35 Angstrom Resolution" . . . . . 96.50 138 100.00 100.00 2.55e-95 . . . . 4909 1 9 no PDB 2NN8 . "Crystal Structure Of Human Galectin-3 Carbohydrate-Recognition Domain With Lactose Bound, At 1.35 Angstrom Resolution" . . . . . 96.50 138 100.00 100.00 2.55e-95 . . . . 4909 1 10 no PDB 2XG3 . "Human Galectin-3 In Complex With A Benzamido-N- Acetyllactoseamine Inhibitor" . . . . . 95.80 138 100.00 100.00 1.28e-94 . . . . 4909 1 11 no PDB 3AYA . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Thomsen- Friedenreich Antigen" . . . . . 94.41 135 99.26 100.00 7.45e-93 . . . . 4909 1 12 no PDB 3AYC . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Gm1 Pentasaccharide" . . . . . 94.41 135 99.26 100.00 7.45e-93 . . . . 4909 1 13 no PDB 3AYD . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Tfn" . . . . . 94.41 135 99.26 100.00 7.45e-93 . . . . 4909 1 14 no PDB 3AYE . "Crystal Structure Of Galectin-3 Crd Domian Complexed With Lactose" . . . . . 94.41 135 99.26 100.00 7.45e-93 . . . . 4909 1 15 no PDB 3T1L . "Crystal Structure Of Human Galectin-3 In Complex With Methyl 2-o- Acetyl-3-o-toluoyl-beta-d-talopyranoside" . . . . . 100.00 143 100.00 100.00 2.37e-99 . . . . 4909 1 16 no PDB 3T1M . "Crystal Structure Of Human Galectin-3 Carbohydrate Recognition Domain In Complex With Methyl 3-deoxy-2-o-toluoyl-3-n-toluoyl-be" . . . . . 100.00 143 100.00 100.00 2.37e-99 . . . . 4909 1 17 no PDB 3ZSJ . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lactose At 0.86 Angstrom Resolution" . . . . . 96.50 138 100.00 100.00 2.55e-95 . . . . 4909 1 18 no PDB 3ZSK . "Crystal Structure Of Human Galectin-3 Crd With Glycerol Bound At 0.90 Angstrom Resolution" . . . . . 95.80 138 100.00 100.00 1.23e-94 . . . . 4909 1 19 no PDB 3ZSL . "Crystal Structure Of Apo Human Galectin-3 Crd At 1.08 Angstrom Resolution, At Cryogenic Temperature" . . . . . 95.80 138 100.00 100.00 1.23e-94 . . . . 4909 1 20 no PDB 3ZSM . "Crystal Structure Of Apo Human Galectin-3 Crd At 1.25 Angstrom Resolution, At Room Temperature" . . . . . 95.80 138 100.00 100.00 1.23e-94 . . . . 4909 1 21 no PDB 4BLI . "Galectin-3c In Complex With Bisamido-thiogalactoside Derivate 1" . . . . . 95.80 138 100.00 100.00 1.23e-94 . . . . 4909 1 22 no PDB 4BLJ . "Galectin-3c In Complex With Bisamido-thiogalactoside Derivate 2" . . . . . 95.80 138 100.00 100.00 1.23e-94 . . . . 4909 1 23 no PDB 4BM8 . "Galectin-3c In Complex With Bisamido-thiogalactoside Derivate 3" . . . . . 95.80 138 100.00 100.00 1.28e-94 . . . . 4909 1 24 no PDB 4JC1 . "Galectin-3 Carbohydrate Recognition Domain In Complex With Thiodigalactoside" . . . . . 100.00 143 100.00 100.00 2.37e-99 . . . . 4909 1 25 no PDB 4JCK . "Galectin-3 Carbohydrate Recognition Domain In Complex With Thioditaloside" . . . . . 100.00 143 100.00 100.00 2.37e-99 . . . . 4909 1 26 no PDB 4LBJ . "Crystal Structure Of Human Galectin-3 Crd K176l Mutant In Complex With Lnt" . . . . . 95.80 138 99.27 99.27 1.42e-93 . . . . 4909 1 27 no PDB 4LBK . "Crystal Structure Of Human Galectin-3 Crd K176l Mutant In Complex With Lnnt" . . . . . 95.80 138 99.27 99.27 1.42e-93 . . . . 4909 1 28 no PDB 4LBL . "Crystal Structure Of Human Galectin-3 Crd K176l Mutant In Complex With A-gm3" . . . . . 95.80 138 99.27 99.27 1.42e-93 . . . . 4909 1 29 no PDB 4LBM . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lnt" . . . . . 97.20 139 100.00 100.00 3.72e-96 . . . . 4909 1 30 no PDB 4LBN . "Crystal Structure Of Human Galectin-3 Crd In Complex With Lnnt" . . . . . 97.20 139 100.00 100.00 3.72e-96 . . . . 4909 1 31 no PDB 4LBO . "Crystal Structure Of Human Galectin-3 Crd In Complex With A-gm3" . . . . . 96.50 138 100.00 100.00 2.55e-95 . . . . 4909 1 32 no DBJ BAA22164 . "galectin-3 [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.30e-99 . . . . 4909 1 33 no DBJ BAD92628 . "LGALS3 protein variant [Homo sapiens]" . . . . . 100.00 258 100.00 100.00 1.31e-98 . . . . 4909 1 34 no DBJ BAG37435 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 6.89e-99 . . . . 4909 1 35 no DBJ BAI46476 . "lectin, galactoside-binding, soluble, 3 [synthetic construct]" . . . . . 100.00 250 100.00 100.00 5.30e-99 . . . . 4909 1 36 no EMBL CAD61918 . "unnamed protein product [Homo sapiens]" . . . . . 84.62 121 100.00 100.00 1.75e-82 . . . . 4909 1 37 no EMBL CAG33178 . "LGALS3 [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.30e-99 . . . . 4909 1 38 no EMBL CAG46894 . "LGALS3 [Homo sapiens]" . . . . . 100.00 250 99.30 99.30 3.81e-98 . . . . 4909 1 39 no GB AAA35607 . "IgE-binding protein [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 6.89e-99 . . . . 4909 1 40 no GB AAA36163 . "laminin-binding protein [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 6.89e-99 . . . . 4909 1 41 no GB AAA88086 . "galactose-specific lectin [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 4.45e-99 . . . . 4909 1 42 no GB AAB26229 . "carbohydrate binding protein 35 [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.30e-99 . . . . 4909 1 43 no GB AAB86584 . "galectin 3 [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.30e-99 . . . . 4909 1 44 no REF NP_002297 . "galectin-3 isoform 1 [Homo sapiens]" . . . . . 100.00 250 100.00 100.00 5.30e-99 . . . . 4909 1 45 no REF XP_001148424 . "PREDICTED: galectin-3 [Pan troglodytes]" . . . . . 100.00 250 98.60 99.30 1.43e-97 . . . . 4909 1 46 no REF XP_002824813 . "PREDICTED: galectin-3 [Pongo abelii]" . . . . . 100.00 250 100.00 100.00 4.55e-99 . . . . 4909 1 47 no REF XP_003831735 . "PREDICTED: galectin-3 [Pan paniscus]" . . . . . 100.00 250 98.60 99.30 8.26e-98 . . . . 4909 1 48 no REF XP_004055252 . "PREDICTED: galectin-3 isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 250 99.30 99.30 4.84e-98 . . . . 4909 1 49 no SP P17931 . "RecName: Full=Galectin-3; Short=Gal-3; AltName: Full=35 kDa lectin; AltName: Full=Carbohydrate-binding protein 35; Short=CBP 35" . . . . . 100.00 250 100.00 100.00 5.30e-99 . . . . 4909 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID galectin-3 common 4909 1 galectin-3C abbreviation 4909 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 1 108 GLY . 4909 1 2 109 ALA . 4909 1 3 110 PRO . 4909 1 4 111 ALA . 4909 1 5 112 GLY . 4909 1 6 113 PRO . 4909 1 7 114 LEU . 4909 1 8 115 ILE . 4909 1 9 116 VAL . 4909 1 10 117 PRO . 4909 1 11 118 TYR . 4909 1 12 119 ASN . 4909 1 13 120 LEU . 4909 1 14 121 PRO . 4909 1 15 122 LEU . 4909 1 16 123 PRO . 4909 1 17 124 GLY . 4909 1 18 125 GLY . 4909 1 19 126 VAL . 4909 1 20 127 VAL . 4909 1 21 128 PRO . 4909 1 22 129 ARG . 4909 1 23 130 MET . 4909 1 24 131 LEU . 4909 1 25 132 ILE . 4909 1 26 133 THR . 4909 1 27 134 ILE . 4909 1 28 135 LEU . 4909 1 29 136 GLY . 4909 1 30 137 THR . 4909 1 31 138 VAL . 4909 1 32 139 LYS . 4909 1 33 140 PRO . 4909 1 34 141 ASN . 4909 1 35 142 ALA . 4909 1 36 143 ASN . 4909 1 37 144 ARG . 4909 1 38 145 ILE . 4909 1 39 146 ALA . 4909 1 40 147 LEU . 4909 1 41 148 ASP . 4909 1 42 149 PHE . 4909 1 43 150 GLN . 4909 1 44 151 ARG . 4909 1 45 152 GLY . 4909 1 46 153 ASN . 4909 1 47 154 ASP . 4909 1 48 155 VAL . 4909 1 49 156 ALA . 4909 1 50 157 PHE . 4909 1 51 158 HIS . 4909 1 52 159 PHE . 4909 1 53 160 ASN . 4909 1 54 161 PRO . 4909 1 55 162 ARG . 4909 1 56 163 PHE . 4909 1 57 164 ASN . 4909 1 58 165 GLU . 4909 1 59 166 ASN . 4909 1 60 167 ASN . 4909 1 61 168 ARG . 4909 1 62 169 ARG . 4909 1 63 170 VAL . 4909 1 64 171 ILE . 4909 1 65 172 VAL . 4909 1 66 173 CYS . 4909 1 67 174 ASN . 4909 1 68 175 THR . 4909 1 69 176 LYS . 4909 1 70 177 LEU . 4909 1 71 178 ASP . 4909 1 72 179 ASN . 4909 1 73 180 ASN . 4909 1 74 181 TRP . 4909 1 75 182 GLY . 4909 1 76 183 ARG . 4909 1 77 184 GLU . 4909 1 78 185 GLU . 4909 1 79 186 ARG . 4909 1 80 187 GLN . 4909 1 81 188 SER . 4909 1 82 189 VAL . 4909 1 83 190 PHE . 4909 1 84 191 PRO . 4909 1 85 192 PHE . 4909 1 86 193 GLU . 4909 1 87 194 SER . 4909 1 88 195 GLY . 4909 1 89 196 LYS . 4909 1 90 197 PRO . 4909 1 91 198 PHE . 4909 1 92 199 LYS . 4909 1 93 200 ILE . 4909 1 94 201 GLN . 4909 1 95 202 VAL . 4909 1 96 203 LEU . 4909 1 97 204 VAL . 4909 1 98 205 GLU . 4909 1 99 206 PRO . 4909 1 100 207 ASP . 4909 1 101 208 HIS . 4909 1 102 209 PHE . 4909 1 103 210 LYS . 4909 1 104 211 VAL . 4909 1 105 212 ALA . 4909 1 106 213 VAL . 4909 1 107 214 ASN . 4909 1 108 215 ASP . 4909 1 109 216 ALA . 4909 1 110 217 HIS . 4909 1 111 218 LEU . 4909 1 112 219 LEU . 4909 1 113 220 GLN . 4909 1 114 221 TYR . 4909 1 115 222 ASN . 4909 1 116 223 HIS . 4909 1 117 224 ARG . 4909 1 118 225 VAL . 4909 1 119 226 LYS . 4909 1 120 227 LYS . 4909 1 121 228 LEU . 4909 1 122 229 ASN . 4909 1 123 230 GLU . 4909 1 124 231 ILE . 4909 1 125 232 SER . 4909 1 126 233 LYS . 4909 1 127 234 LEU . 4909 1 128 235 GLY . 4909 1 129 236 ILE . 4909 1 130 237 SER . 4909 1 131 238 GLY . 4909 1 132 239 ASP . 4909 1 133 240 ILE . 4909 1 134 241 ASP . 4909 1 135 242 LEU . 4909 1 136 243 THR . 4909 1 137 244 SER . 4909 1 138 245 ALA . 4909 1 139 246 SER . 4909 1 140 247 TYR . 4909 1 141 248 THR . 4909 1 142 249 MET . 4909 1 143 250 ILE . 4909 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4909 1 . ALA 2 2 4909 1 . PRO 3 3 4909 1 . ALA 4 4 4909 1 . GLY 5 5 4909 1 . PRO 6 6 4909 1 . LEU 7 7 4909 1 . ILE 8 8 4909 1 . VAL 9 9 4909 1 . PRO 10 10 4909 1 . TYR 11 11 4909 1 . ASN 12 12 4909 1 . LEU 13 13 4909 1 . PRO 14 14 4909 1 . LEU 15 15 4909 1 . PRO 16 16 4909 1 . GLY 17 17 4909 1 . GLY 18 18 4909 1 . VAL 19 19 4909 1 . VAL 20 20 4909 1 . PRO 21 21 4909 1 . ARG 22 22 4909 1 . MET 23 23 4909 1 . LEU 24 24 4909 1 . ILE 25 25 4909 1 . THR 26 26 4909 1 . ILE 27 27 4909 1 . LEU 28 28 4909 1 . GLY 29 29 4909 1 . THR 30 30 4909 1 . VAL 31 31 4909 1 . LYS 32 32 4909 1 . PRO 33 33 4909 1 . ASN 34 34 4909 1 . ALA 35 35 4909 1 . ASN 36 36 4909 1 . ARG 37 37 4909 1 . ILE 38 38 4909 1 . ALA 39 39 4909 1 . LEU 40 40 4909 1 . ASP 41 41 4909 1 . PHE 42 42 4909 1 . GLN 43 43 4909 1 . ARG 44 44 4909 1 . GLY 45 45 4909 1 . ASN 46 46 4909 1 . ASP 47 47 4909 1 . VAL 48 48 4909 1 . ALA 49 49 4909 1 . PHE 50 50 4909 1 . HIS 51 51 4909 1 . PHE 52 52 4909 1 . ASN 53 53 4909 1 . PRO 54 54 4909 1 . ARG 55 55 4909 1 . PHE 56 56 4909 1 . ASN 57 57 4909 1 . GLU 58 58 4909 1 . ASN 59 59 4909 1 . ASN 60 60 4909 1 . ARG 61 61 4909 1 . ARG 62 62 4909 1 . VAL 63 63 4909 1 . ILE 64 64 4909 1 . VAL 65 65 4909 1 . CYS 66 66 4909 1 . ASN 67 67 4909 1 . THR 68 68 4909 1 . LYS 69 69 4909 1 . LEU 70 70 4909 1 . ASP 71 71 4909 1 . ASN 72 72 4909 1 . ASN 73 73 4909 1 . TRP 74 74 4909 1 . GLY 75 75 4909 1 . ARG 76 76 4909 1 . GLU 77 77 4909 1 . GLU 78 78 4909 1 . ARG 79 79 4909 1 . GLN 80 80 4909 1 . SER 81 81 4909 1 . VAL 82 82 4909 1 . PHE 83 83 4909 1 . PRO 84 84 4909 1 . PHE 85 85 4909 1 . GLU 86 86 4909 1 . SER 87 87 4909 1 . GLY 88 88 4909 1 . LYS 89 89 4909 1 . PRO 90 90 4909 1 . PHE 91 91 4909 1 . LYS 92 92 4909 1 . ILE 93 93 4909 1 . GLN 94 94 4909 1 . VAL 95 95 4909 1 . LEU 96 96 4909 1 . VAL 97 97 4909 1 . GLU 98 98 4909 1 . PRO 99 99 4909 1 . ASP 100 100 4909 1 . HIS 101 101 4909 1 . PHE 102 102 4909 1 . LYS 103 103 4909 1 . VAL 104 104 4909 1 . ALA 105 105 4909 1 . VAL 106 106 4909 1 . ASN 107 107 4909 1 . ASP 108 108 4909 1 . ALA 109 109 4909 1 . HIS 110 110 4909 1 . LEU 111 111 4909 1 . LEU 112 112 4909 1 . GLN 113 113 4909 1 . TYR 114 114 4909 1 . ASN 115 115 4909 1 . HIS 116 116 4909 1 . ARG 117 117 4909 1 . VAL 118 118 4909 1 . LYS 119 119 4909 1 . LYS 120 120 4909 1 . LEU 121 121 4909 1 . ASN 122 122 4909 1 . GLU 123 123 4909 1 . ILE 124 124 4909 1 . SER 125 125 4909 1 . LYS 126 126 4909 1 . LEU 127 127 4909 1 . GLY 128 128 4909 1 . ILE 129 129 4909 1 . SER 130 130 4909 1 . GLY 131 131 4909 1 . ASP 132 132 4909 1 . ILE 133 133 4909 1 . ASP 134 134 4909 1 . LEU 135 135 4909 1 . THR 136 136 4909 1 . SER 137 137 4909 1 . ALA 138 138 4909 1 . SER 139 139 4909 1 . TYR 140 140 4909 1 . THR 141 141 4909 1 . MET 142 142 4909 1 . ILE 143 143 4909 1 stop_ save_ save_LAT _Entity.Sf_category entity _Entity.Sf_framecode LAT _Entity.Entry_ID 4909 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name LAT _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID LAT _Entity.Nonpolymer_comp_label $chem_comp_LAT _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LAT . 4909 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4909 _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 $galectin-3C . 9606 organsim . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4909 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 4909 _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 $galectin-3C . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli K12-BL21-DE3 . . . . . . . . . . . . . . . pET3C . . . . . . 4909 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_LAT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_LAT _Chem_comp.Entry_ID 4909 _Chem_comp.ID LAT _Chem_comp.Provenance . _Chem_comp.Name BETA-LACTOSE _Chem_comp.Type saccharide _Chem_comp.BMRB_code . _Chem_comp.PDB_code LAT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code LAT _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C12 H22 O11' _Chem_comp.Formula_weight 342.296 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DLL _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 10:39:17 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO SMILES ACDLabs 10.04 4909 LAT OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O SMILES_CANONICAL CACTVS 3.341 4909 LAT OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.341 4909 LAT C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4909 LAT C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 4909 LAT InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 InChI InChI 1.03 4909 LAT GUBGYTABKSRVRQ-DCSYEGIMSA-N InChIKey InChI 1.03 4909 LAT stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 4-O-beta-D-galactopyranosyl-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 4909 LAT (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4909 LAT stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . S 0 . . . . no no . . . . 24.303 . 15.400 . 77.362 . -0.482 0.116 -1.129 1 . 4909 LAT C2 . C2 . . C . . R 0 . . . . no no . . . . 24.409 . 14.955 . 75.927 . -1.232 0.711 -2.323 2 . 4909 LAT C3 . C3 . . C . . S 0 . . . . no no . . . . 23.175 . 15.384 . 75.136 . -1.045 -0.205 -3.537 3 . 4909 LAT C4 . C4 . . C . . R 0 . . . . no no . . . . 21.957 . 14.835 . 75.867 . 0.455 -0.428 -3.754 4 . 4909 LAT C5 . C5 . . C . . R 0 . . . . no no . . . . 21.929 . 15.374 . 77.289 . 1.077 -0.938 -2.452 5 . 4909 LAT C6 . C6 . . C . . N 0 . . . . no no . . . . 20.745 . 14.816 . 78.048 . 2.569 -1.198 -2.669 6 . 4909 LAT O1 . O1 . . O . . N 0 . . . . no no . . . . 25.347 . 14.809 . 78.097 . -0.677 0.949 0.015 7 . 4909 LAT O2 . O2 . . O . . N 0 . . . . no no . . . . 25.601 . 15.386 . 75.280 . -2.623 0.816 -2.010 8 . 4909 LAT O3 . O3 . . O . . N 0 . . . . no no . . . . 23.272 . 14.957 . 73.786 . -1.614 0.410 -4.694 9 . 4909 LAT O4 . O4 . . O . . N 0 . . . . no no . . . . 22.027 . 13.423 . 75.959 . 1.072 0.804 -4.133 10 . 4909 LAT O5 . O5 . . O . . N 0 . . . . no no . . . . 23.113 . 14.938 . 77.987 . 0.910 0.036 -1.424 11 . 4909 LAT O6 . O6 . . O . . N 0 . . . . no no . . . . 20.907 . 15.096 . 79.425 . 3.150 -1.677 -1.455 12 . 4909 LAT C1' . C1' . . C . . R 0 . . . . no no . . . . 27.195 . 15.055 . 81.755 . 0.011 0.041 3.973 13 . 4909 LAT C2' . C2' . . C . . R 0 . . . . no no . . . . 25.680 . 15.187 . 81.860 . 1.274 0.323 3.156 14 . 4909 LAT C3' . C3' . . C . . R 0 . . . . no no . . . . 25.055 . 14.764 . 80.516 . 0.882 1.047 1.863 15 . 4909 LAT C4' . C4' . . C . . S 0 . . . . no no . . . . 25.709 . 15.482 . 79.329 . -0.190 0.221 1.144 16 . 4909 LAT C5' . C5' . . C . . R 0 . . . . no no . . . . 27.233 . 15.429 . 79.387 . -1.342 -0.054 2.112 17 . 4909 LAT C6' . C6' . . C . . N 0 . . . . no no . . . . 27.890 . 16.349 . 78.374 . -2.432 -0.852 1.394 18 . 4909 LAT O1' . O1' . . O . . N 0 . . . . no yes . . . . 27.785 . 15.504 . 82.930 . 0.370 -0.607 5.194 19 . 4909 LAT O2' . O2' . . O . . N 0 . . . . no no . . . . 25.147 . 14.351 . 82.853 . 2.163 1.145 3.914 20 . 4909 LAT O3' . O3' . . O . . N 0 . . . . no no . . . . 23.661 . 14.972 . 80.608 . 2.027 1.185 1.020 21 . 4909 LAT O5' . O5' . . O . . N 0 . . . . no no . . . . 27.668 . 15.866 . 80.680 . -0.866 -0.801 3.230 22 . 4909 LAT O6' . O6' . . O . . N 0 . . . . no no . . . . 28.766 . 15.614 . 77.533 . -3.512 -1.102 2.295 23 . 4909 LAT H1 . H1 . . H . . N 0 . . . . no no . . . . 24.329 . 16.514 . 77.351 . -0.867 -0.881 -0.920 24 . 4909 LAT H2 . H2 . . H . . N 0 . . . . no no . . . . 24.460 . 13.841 . 75.952 . -0.834 1.700 -2.548 25 . 4909 LAT H3 . H3 . . H . . N 0 . . . . no no . . . . 23.084 . 16.494 . 75.081 . -1.535 -1.161 -3.353 26 . 4909 LAT H4 . H4 . . H . . N 0 . . . . no no . . . . 21.048 . 15.143 . 75.298 . 0.604 -1.167 -4.542 27 . 4909 LAT H5 . H5 . . H . . N 0 . . . . no no . . . . 21.867 . 16.485 . 77.233 . 0.587 -1.865 -2.156 28 . 4909 LAT H61 . H61 . . H . . N 0 . . . . no no . . . . 19.772 . 15.188 . 77.650 . 3.060 -0.271 -2.966 29 . 4909 LAT H62 . H62 . . H . . N 0 . . . . no no . . . . 20.588 . 13.729 . 77.851 . 2.698 -1.944 -3.453 30 . 4909 LAT HO2 . HO2 . . H . . N 0 . . . . no no . . . . 25.667 . 15.105 . 74.374 . -2.693 1.394 -1.239 31 . 4909 LAT HO3 . HO3 . . H . . N 0 . . . . no no . . . . 22.504 . 15.223 . 73.294 . -2.553 0.542 -4.507 32 . 4909 LAT HO4 . HO4 . . H . . N 0 . . . . no no . . . . 21.267 . 13.080 . 76.415 . 0.646 1.089 -4.952 33 . 4909 LAT HO6 . HO6 . . H . . N 0 . . . . no no . . . . 20.163 . 14.745 . 79.901 . 4.089 -1.828 -1.635 34 . 4909 LAT H1' . H1' . . H . . N 0 . . . . no no . . . . 27.455 . 13.985 . 81.578 . -0.492 0.981 4.197 35 . 4909 LAT H2' . H2' . . H . . N 0 . . . . no no . . . . 25.449 . 16.246 . 82.118 . 1.767 -0.617 2.911 36 . 4909 LAT H3' . H3' . . H . . N 0 . . . . no no . . . . 25.243 . 13.683 . 80.317 . 0.484 2.033 2.103 37 . 4909 LAT H4' . H4' . . H . . N 0 . . . . no no . . . . 25.356 . 16.539 . 79.370 . 0.239 -0.723 0.810 38 . 4909 LAT H5' . H5' . . H . . N 0 . . . . no no . . . . 27.525 . 14.375 . 79.167 . -1.756 0.892 2.459 39 . 4909 LAT H6'1 . H6'1 . . H . . N 0 . . . . no no . . . . 27.137 . 16.925 . 77.787 . -2.797 -0.282 0.539 40 . 4909 LAT H6'2 . H6'2 . . H . . N 0 . . . . no no . . . . 28.407 . 17.205 . 78.865 . -2.020 -1.800 1.048 41 . 4909 LAT HO1' . HO1' . . H . . N 0 . . . . no no . . . . 28.729 . 15.421 . 82.864 . -0.450 -0.766 5.678 42 . 4909 LAT HO2' . HO2' . . H . . N 0 . . . . no no . . . . 24.202 . 14.433 . 82.918 . 2.384 0.653 4.716 43 . 4909 LAT HO3' . HO3' . . H . . N 0 . . . . no no . . . . 23.275 . 14.711 . 79.779 . 2.674 1.710 1.510 44 . 4909 LAT HO6' . HO6' . . H . . N 0 . . . . no no . . . . 29.177 . 16.189 . 76.899 . -4.176 -1.606 1.804 45 . 4909 LAT stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 4909 LAT 2 . SING C1 O1 no N 2 . 4909 LAT 3 . SING C1 O5 no N 3 . 4909 LAT 4 . SING C1 H1 no N 4 . 4909 LAT 5 . SING C2 C3 no N 5 . 4909 LAT 6 . SING C2 O2 no N 6 . 4909 LAT 7 . SING C2 H2 no N 7 . 4909 LAT 8 . SING C3 C4 no N 8 . 4909 LAT 9 . SING C3 O3 no N 9 . 4909 LAT 10 . SING C3 H3 no N 10 . 4909 LAT 11 . SING C4 C5 no N 11 . 4909 LAT 12 . SING C4 O4 no N 12 . 4909 LAT 13 . SING C4 H4 no N 13 . 4909 LAT 14 . SING C5 C6 no N 14 . 4909 LAT 15 . SING C5 O5 no N 15 . 4909 LAT 16 . SING C5 H5 no N 16 . 4909 LAT 17 . SING C6 O6 no N 17 . 4909 LAT 18 . SING C6 H61 no N 18 . 4909 LAT 19 . SING C6 H62 no N 19 . 4909 LAT 20 . SING O1 C4' no N 20 . 4909 LAT 21 . SING O2 HO2 no N 21 . 4909 LAT 22 . SING O3 HO3 no N 22 . 4909 LAT 23 . SING O4 HO4 no N 23 . 4909 LAT 24 . SING O6 HO6 no N 24 . 4909 LAT 25 . SING C1' C2' no N 25 . 4909 LAT 26 . SING C1' O1' no N 26 . 4909 LAT 27 . SING C1' O5' no N 27 . 4909 LAT 28 . SING C1' H1' no N 28 . 4909 LAT 29 . SING C2' C3' no N 29 . 4909 LAT 30 . SING C2' O2' no N 30 . 4909 LAT 31 . SING C2' H2' no N 31 . 4909 LAT 32 . SING C3' C4' no N 32 . 4909 LAT 33 . SING C3' O3' no N 33 . 4909 LAT 34 . SING C3' H3' no N 34 . 4909 LAT 35 . SING C4' C5' no N 35 . 4909 LAT 36 . SING C4' H4' no N 36 . 4909 LAT 37 . SING C5' C6' no N 37 . 4909 LAT 38 . SING C5' O5' no N 38 . 4909 LAT 39 . SING C5' H5' no N 39 . 4909 LAT 40 . SING C6' O6' no N 40 . 4909 LAT 41 . SING C6' H6'1 no N 41 . 4909 LAT 42 . SING C6' H6'2 no N 42 . 4909 LAT 43 . SING O1' HO1' no N 43 . 4909 LAT 44 . SING O2' HO2' no N 44 . 4909 LAT 45 . SING O3' HO3' no N 45 . 4909 LAT 46 . SING O6' HO6' no N 46 . 4909 LAT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4909 _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 galectin-3 '[U-99% 13C; U-99% 15N]' . . 1 $galectin-3C . . 0.5 . . mM . . . . 4909 1 2 LACTOSE . . . 2 $LAT . . 10 . . mM . . . . 4909 1 3 'potassium phosphate' . . . . . . . 5 . . mM . . . . 4909 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4909 _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 7.4 0.2 n/a 4909 1 temperature 303 1 K 4909 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 4909 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4909 _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 UNITYplus . 500 . . . 4909 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 4909 _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 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4909 1 2 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4909 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4909 1 4 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4909 1 5 HCC-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4909 1 6 CN-NOESY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4909 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 4909 _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 4909 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4909 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _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 4909 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCH-TOCSY _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4909 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCC-TOCSY _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4909 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CN-NOESY-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_ #################### # 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 4909 _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 $entry_citation . . 1 $entry_citation 4909 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4909 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4909 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 4909 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 $sample_1 . 4909 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 4909 1 2 . 1 1 2 2 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4909 1 3 . 1 1 2 2 ALA HB1 H 1 0.19 0.02 . 1 . . . . . . . . 4909 1 4 . 1 1 2 2 ALA HB2 H 1 0.19 0.02 . 1 . . . . . . . . 4909 1 5 . 1 1 2 2 ALA HB3 H 1 0.19 0.02 . 1 . . . . . . . . 4909 1 6 . 1 1 2 2 ALA CA C 13 56.32 0.05 . 1 . . . . . . . . 4909 1 7 . 1 1 2 2 ALA CB C 13 18.00 0.05 . 1 . . . . . . . . 4909 1 8 . 1 1 2 2 ALA N N 15 119.51 0.05 . 1 . . . . . . . . 4909 1 9 . 1 1 3 3 PRO HA H 1 4.53 0.02 . 1 . . . . . . . . 4909 1 10 . 1 1 3 3 PRO HB2 H 1 2.39 0.02 . 2 . . . . . . . . 4909 1 11 . 1 1 3 3 PRO HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4909 1 12 . 1 1 3 3 PRO HG2 H 1 2.12 0.02 . 2 . . . . . . . . 4909 1 13 . 1 1 3 3 PRO HD2 H 1 3.91 0.02 . 2 . . . . . . . . 4909 1 14 . 1 1 3 3 PRO HD3 H 1 3.74 0.02 . 2 . . . . . . . . 4909 1 15 . 1 1 3 3 PRO CA C 13 62.98 0.05 . 1 . . . . . . . . 4909 1 16 . 1 1 3 3 PRO CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 17 . 1 1 4 4 ALA H H 1 8.43 0.02 . 1 . . . . . . . . 4909 1 18 . 1 1 4 4 ALA HA H 1 4.45 0.02 . 1 . . . . . . . . 4909 1 19 . 1 1 4 4 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4909 1 20 . 1 1 4 4 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4909 1 21 . 1 1 4 4 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4909 1 22 . 1 1 4 4 ALA CA C 13 52.04 0.05 . 1 . . . . . . . . 4909 1 23 . 1 1 4 4 ALA CB C 13 19.70 0.05 . 1 . . . . . . . . 4909 1 24 . 1 1 4 4 ALA N N 15 124.92 0.05 . 1 . . . . . . . . 4909 1 25 . 1 1 5 5 GLY H H 1 8.17 0.02 . 1 . . . . . . . . 4909 1 26 . 1 1 5 5 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 4909 1 27 . 1 1 5 5 GLY HA3 H 1 4.08 0.02 . 2 . . . . . . . . 4909 1 28 . 1 1 5 5 GLY CA C 13 44.43 0.05 . 1 . . . . . . . . 4909 1 29 . 1 1 5 5 GLY N N 15 108.82 0.05 . 1 . . . . . . . . 4909 1 30 . 1 1 6 6 PRO HA H 1 4.53 0.02 . 1 . . . . . . . . 4909 1 31 . 1 1 6 6 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . 4909 1 32 . 1 1 6 6 PRO HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4909 1 33 . 1 1 6 6 PRO HD2 H 1 3.70 0.02 . 2 . . . . . . . . 4909 1 34 . 1 1 6 6 PRO HD3 H 1 2.82 0.02 . 2 . . . . . . . . 4909 1 35 . 1 1 6 6 PRO CA C 13 62.50 0.05 . 1 . . . . . . . . 4909 1 36 . 1 1 6 6 PRO CB C 13 32.06 0.05 . 1 . . . . . . . . 4909 1 37 . 1 1 7 7 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 4909 1 38 . 1 1 7 7 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 4909 1 39 . 1 1 7 7 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 4909 1 40 . 1 1 7 7 LEU HB3 H 1 1.10 0.02 . 2 . . . . . . . . 4909 1 41 . 1 1 7 7 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 4909 1 42 . 1 1 7 7 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 4909 1 43 . 1 1 7 7 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 4909 1 44 . 1 1 7 7 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 4909 1 45 . 1 1 7 7 LEU HD21 H 1 0.49 0.02 . 2 . . . . . . . . 4909 1 46 . 1 1 7 7 LEU HD22 H 1 0.49 0.02 . 2 . . . . . . . . 4909 1 47 . 1 1 7 7 LEU HD23 H 1 0.49 0.02 . 2 . . . . . . . . 4909 1 48 . 1 1 7 7 LEU CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 49 . 1 1 7 7 LEU CB C 13 41.10 0.05 . 1 . . . . . . . . 4909 1 50 . 1 1 7 7 LEU N N 15 122.45 0.05 . 1 . . . . . . . . 4909 1 51 . 1 1 8 8 ILE H H 1 8.11 0.02 . 1 . . . . . . . . 4909 1 52 . 1 1 8 8 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . 4909 1 53 . 1 1 8 8 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 4909 1 54 . 1 1 8 8 ILE HG12 H 1 1.62 0.02 . 2 . . . . . . . . 4909 1 55 . 1 1 8 8 ILE HG13 H 1 1.36 0.02 . 2 . . . . . . . . 4909 1 56 . 1 1 8 8 ILE HG21 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 57 . 1 1 8 8 ILE HG22 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 58 . 1 1 8 8 ILE HG23 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 59 . 1 1 8 8 ILE CA C 13 60.60 0.05 . 1 . . . . . . . . 4909 1 60 . 1 1 8 8 ILE CB C 13 38.72 0.05 . 1 . . . . . . . . 4909 1 61 . 1 1 8 8 ILE N N 15 123.51 0.05 . 1 . . . . . . . . 4909 1 62 . 1 1 9 9 VAL H H 1 7.92 0.02 . 1 . . . . . . . . 4909 1 63 . 1 1 9 9 VAL HA H 1 4.52 0.02 . 1 . . . . . . . . 4909 1 64 . 1 1 9 9 VAL HB H 1 2.25 0.02 . 1 . . . . . . . . 4909 1 65 . 1 1 9 9 VAL HG11 H 1 1.12 0.02 . 2 . . . . . . . . 4909 1 66 . 1 1 9 9 VAL HG12 H 1 1.12 0.02 . 2 . . . . . . . . 4909 1 67 . 1 1 9 9 VAL HG13 H 1 1.12 0.02 . 2 . . . . . . . . 4909 1 68 . 1 1 9 9 VAL CA C 13 58.70 0.05 . 1 . . . . . . . . 4909 1 69 . 1 1 9 9 VAL CB C 13 33.96 0.05 . 1 . . . . . . . . 4909 1 70 . 1 1 9 9 VAL N N 15 121.76 0.05 . 1 . . . . . . . . 4909 1 71 . 1 1 10 10 PRO HA H 1 5.04 0.02 . 1 . . . . . . . . 4909 1 72 . 1 1 10 10 PRO HB2 H 1 2.41 0.02 . 2 . . . . . . . . 4909 1 73 . 1 1 10 10 PRO HB3 H 1 2.13 0.02 . 2 . . . . . . . . 4909 1 74 . 1 1 10 10 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 4909 1 75 . 1 1 10 10 PRO CA C 13 62.98 0.05 . 1 . . . . . . . . 4909 1 76 . 1 1 10 10 PRO CB C 13 34.44 0.05 . 1 . . . . . . . . 4909 1 77 . 1 1 11 11 TYR H H 1 9.23 0.02 . 1 . . . . . . . . 4909 1 78 . 1 1 11 11 TYR HA H 1 4.88 0.02 . 1 . . . . . . . . 4909 1 79 . 1 1 11 11 TYR HB2 H 1 3.51 0.02 . 2 . . . . . . . . 4909 1 80 . 1 1 11 11 TYR HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4909 1 81 . 1 1 11 11 TYR CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 82 . 1 1 11 11 TYR CB C 13 42.52 0.05 . 1 . . . . . . . . 4909 1 83 . 1 1 11 11 TYR N N 15 126.51 0.05 . 1 . . . . . . . . 4909 1 84 . 1 1 12 12 ASN H H 1 7.89 0.02 . 1 . . . . . . . . 4909 1 85 . 1 1 12 12 ASN HA H 1 5.32 0.02 . 1 . . . . . . . . 4909 1 86 . 1 1 12 12 ASN HB2 H 1 2.47 0.02 . 2 . . . . . . . . 4909 1 87 . 1 1 12 12 ASN HB3 H 1 2.26 0.02 . 2 . . . . . . . . 4909 1 88 . 1 1 12 12 ASN HD21 H 1 7.37 0.02 . 2 . . . . . . . . 4909 1 89 . 1 1 12 12 ASN HD22 H 1 6.58 0.02 . 2 . . . . . . . . 4909 1 90 . 1 1 12 12 ASN CA C 13 51.56 0.05 . 1 . . . . . . . . 4909 1 91 . 1 1 12 12 ASN CB C 13 41.10 0.05 . 1 . . . . . . . . 4909 1 92 . 1 1 12 12 ASN N N 15 126.60 0.05 . 1 . . . . . . . . 4909 1 93 . 1 1 13 13 LEU H H 1 9.39 0.02 . 1 . . . . . . . . 4909 1 94 . 1 1 13 13 LEU HA H 1 4.97 0.02 . 1 . . . . . . . . 4909 1 95 . 1 1 13 13 LEU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4909 1 96 . 1 1 13 13 LEU HB3 H 1 1.28 0.02 . 2 . . . . . . . . 4909 1 97 . 1 1 13 13 LEU HG H 1 1.85 0.02 . 1 . . . . . . . . 4909 1 98 . 1 1 13 13 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 4909 1 99 . 1 1 13 13 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 4909 1 100 . 1 1 13 13 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 4909 1 101 . 1 1 13 13 LEU CA C 13 51.09 0.05 . 1 . . . . . . . . 4909 1 102 . 1 1 13 13 LEU CB C 13 44.43 0.05 . 1 . . . . . . . . 4909 1 103 . 1 1 13 13 LEU N N 15 128.38 0.05 . 1 . . . . . . . . 4909 1 104 . 1 1 14 14 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 4909 1 105 . 1 1 14 14 PRO HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4909 1 106 . 1 1 14 14 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4909 1 107 . 1 1 14 14 PRO HG2 H 1 2.27 0.02 . 2 . . . . . . . . 4909 1 108 . 1 1 14 14 PRO HD2 H 1 3.92 0.02 . 2 . . . . . . . . 4909 1 109 . 1 1 14 14 PRO HD3 H 1 4.30 0.02 . 2 . . . . . . . . 4909 1 110 . 1 1 14 14 PRO CA C 13 62.98 0.05 . 1 . . . . . . . . 4909 1 111 . 1 1 14 14 PRO CB C 13 32.54 0.05 . 1 . . . . . . . . 4909 1 112 . 1 1 15 15 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 4909 1 113 . 1 1 15 15 LEU HA H 1 4.83 0.02 . 1 . . . . . . . . 4909 1 114 . 1 1 15 15 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4909 1 115 . 1 1 15 15 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . 4909 1 116 . 1 1 15 15 LEU HG H 1 0.95 0.02 . 1 . . . . . . . . 4909 1 117 . 1 1 15 15 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 4909 1 118 . 1 1 15 15 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 4909 1 119 . 1 1 15 15 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 4909 1 120 . 1 1 15 15 LEU HD21 H 1 0.59 0.02 . 2 . . . . . . . . 4909 1 121 . 1 1 15 15 LEU HD22 H 1 0.59 0.02 . 2 . . . . . . . . 4909 1 122 . 1 1 15 15 LEU HD23 H 1 0.59 0.02 . 2 . . . . . . . . 4909 1 123 . 1 1 15 15 LEU CA C 13 50.61 0.05 . 1 . . . . . . . . 4909 1 124 . 1 1 15 15 LEU CB C 13 40.62 0.05 . 1 . . . . . . . . 4909 1 125 . 1 1 15 15 LEU N N 15 122.79 0.05 . 1 . . . . . . . . 4909 1 126 . 1 1 16 16 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 4909 1 127 . 1 1 16 16 PRO HB2 H 1 2.35 0.02 . 2 . . . . . . . . 4909 1 128 . 1 1 16 16 PRO HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4909 1 129 . 1 1 16 16 PRO HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4909 1 130 . 1 1 16 16 PRO HG3 H 1 1.82 0.02 . 2 . . . . . . . . 4909 1 131 . 1 1 16 16 PRO HD2 H 1 3.56 0.02 . 2 . . . . . . . . 4909 1 132 . 1 1 16 16 PRO HD3 H 1 3.87 0.02 . 2 . . . . . . . . 4909 1 133 . 1 1 16 16 PRO CA C 13 64.40 0.05 . 1 . . . . . . . . 4909 1 134 . 1 1 16 16 PRO CB C 13 31.11 0.05 . 1 . . . . . . . . 4909 1 135 . 1 1 17 17 GLY H H 1 8.84 0.02 . 1 . . . . . . . . 4909 1 136 . 1 1 17 17 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 4909 1 137 . 1 1 17 17 GLY HA3 H 1 4.01 0.02 . 2 . . . . . . . . 4909 1 138 . 1 1 17 17 GLY CA C 13 44.90 0.05 . 1 . . . . . . . . 4909 1 139 . 1 1 17 17 GLY N N 15 113.30 0.05 . 1 . . . . . . . . 4909 1 140 . 1 1 18 18 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 4909 1 141 . 1 1 18 18 GLY HA2 H 1 4.18 0.02 . 2 . . . . . . . . 4909 1 142 . 1 1 18 18 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 4909 1 143 . 1 1 18 18 GLY CA C 13 43.95 0.05 . 1 . . . . . . . . 4909 1 144 . 1 1 18 18 GLY N N 15 109.20 0.05 . 1 . . . . . . . . 4909 1 145 . 1 1 19 19 VAL H H 1 7.20 0.02 . 1 . . . . . . . . 4909 1 146 . 1 1 19 19 VAL HA H 1 4.39 0.02 . 1 . . . . . . . . 4909 1 147 . 1 1 19 19 VAL HB H 1 2.30 0.02 . 1 . . . . . . . . 4909 1 148 . 1 1 19 19 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 4909 1 149 . 1 1 19 19 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 4909 1 150 . 1 1 19 19 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 4909 1 151 . 1 1 19 19 VAL CA C 13 61.07 0.05 . 1 . . . . . . . . 4909 1 152 . 1 1 19 19 VAL CB C 13 32.54 0.05 . 1 . . . . . . . . 4909 1 153 . 1 1 19 19 VAL N N 15 113.89 0.05 . 1 . . . . . . . . 4909 1 154 . 1 1 20 20 VAL H H 1 6.58 0.02 . 1 . . . . . . . . 4909 1 155 . 1 1 20 20 VAL HA H 1 4.71 0.02 . 1 . . . . . . . . 4909 1 156 . 1 1 20 20 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 4909 1 157 . 1 1 20 20 VAL HG11 H 1 0.98 0.02 . 2 . . . . . . . . 4909 1 158 . 1 1 20 20 VAL HG12 H 1 0.98 0.02 . 2 . . . . . . . . 4909 1 159 . 1 1 20 20 VAL HG13 H 1 0.98 0.02 . 2 . . . . . . . . 4909 1 160 . 1 1 20 20 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 161 . 1 1 20 20 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 162 . 1 1 20 20 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 163 . 1 1 20 20 VAL CA C 13 56.79 0.05 . 1 . . . . . . . . 4909 1 164 . 1 1 20 20 VAL CB C 13 34.91 0.05 . 1 . . . . . . . . 4909 1 165 . 1 1 20 20 VAL CG1 C 13 117.16 0.05 . 2 . . . . . . . . 4909 1 166 . 1 1 21 21 PRO HA H 1 4.01 0.02 . 1 . . . . . . . . 4909 1 167 . 1 1 21 21 PRO HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4909 1 168 . 1 1 21 21 PRO HG2 H 1 1.58 0.02 . 2 . . . . . . . . 4909 1 169 . 1 1 21 21 PRO HG3 H 1 1.41 0.02 . 2 . . . . . . . . 4909 1 170 . 1 1 21 21 PRO HD2 H 1 2.70 0.02 . 2 . . . . . . . . 4909 1 171 . 1 1 21 21 PRO CA C 13 62.98 0.05 . 1 . . . . . . . . 4909 1 172 . 1 1 21 21 PRO CB C 13 31.11 0.05 . 1 . . . . . . . . 4909 1 173 . 1 1 22 22 ARG H H 1 8.81 0.02 . 1 . . . . . . . . 4909 1 174 . 1 1 22 22 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 4909 1 175 . 1 1 22 22 ARG HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4909 1 176 . 1 1 22 22 ARG HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4909 1 177 . 1 1 22 22 ARG HD3 H 1 3.22 0.02 . 2 . . . . . . . . 4909 1 178 . 1 1 22 22 ARG CA C 13 59.17 0.05 . 1 . . . . . . . . 4909 1 179 . 1 1 22 22 ARG CB C 13 26.83 0.05 . 1 . . . . . . . . 4909 1 180 . 1 1 22 22 ARG N N 15 112.97 0.05 . 1 . . . . . . . . 4909 1 181 . 1 1 23 23 MET H H 1 7.94 0.02 . 1 . . . . . . . . 4909 1 182 . 1 1 23 23 MET HA H 1 5.01 0.02 . 1 . . . . . . . . 4909 1 183 . 1 1 23 23 MET HB2 H 1 2.52 0.02 . 2 . . . . . . . . 4909 1 184 . 1 1 23 23 MET HB3 H 1 2.35 0.02 . 2 . . . . . . . . 4909 1 185 . 1 1 23 23 MET CA C 13 56.79 0.05 . 1 . . . . . . . . 4909 1 186 . 1 1 23 23 MET CB C 13 36.34 0.05 . 1 . . . . . . . . 4909 1 187 . 1 1 23 23 MET N N 15 119.54 0.05 . 1 . . . . . . . . 4909 1 188 . 1 1 24 24 LEU H H 1 9.23 0.02 . 1 . . . . . . . . 4909 1 189 . 1 1 24 24 LEU HA H 1 5.55 0.02 . 1 . . . . . . . . 4909 1 190 . 1 1 24 24 LEU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4909 1 191 . 1 1 24 24 LEU HB3 H 1 1.30 0.02 . 2 . . . . . . . . 4909 1 192 . 1 1 24 24 LEU HG H 1 0.88 0.02 . 1 . . . . . . . . 4909 1 193 . 1 1 24 24 LEU HD11 H 1 0.54 0.02 . 2 . . . . . . . . 4909 1 194 . 1 1 24 24 LEU HD12 H 1 0.54 0.02 . 2 . . . . . . . . 4909 1 195 . 1 1 24 24 LEU HD13 H 1 0.54 0.02 . 2 . . . . . . . . 4909 1 196 . 1 1 24 24 LEU CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 197 . 1 1 24 24 LEU CB C 13 45.38 0.05 . 1 . . . . . . . . 4909 1 198 . 1 1 24 24 LEU N N 15 128.84 0.05 . 1 . . . . . . . . 4909 1 199 . 1 1 25 25 ILE H H 1 9.94 0.02 . 1 . . . . . . . . 4909 1 200 . 1 1 25 25 ILE HA H 1 5.03 0.02 . 1 . . . . . . . . 4909 1 201 . 1 1 25 25 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4909 1 202 . 1 1 25 25 ILE HG12 H 1 1.83 0.02 . 2 . . . . . . . . 4909 1 203 . 1 1 25 25 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . 4909 1 204 . 1 1 25 25 ILE HG21 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 205 . 1 1 25 25 ILE HG22 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 206 . 1 1 25 25 ILE HG23 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 207 . 1 1 25 25 ILE HD11 H 1 0.85 0.02 . 4 . . . . . . . . 4909 1 208 . 1 1 25 25 ILE HD12 H 1 0.85 0.02 . 4 . . . . . . . . 4909 1 209 . 1 1 25 25 ILE HD13 H 1 0.85 0.02 . 4 . . . . . . . . 4909 1 210 . 1 1 25 25 ILE CA C 13 60.60 0.05 . 1 . . . . . . . . 4909 1 211 . 1 1 25 25 ILE CB C 13 40.62 0.05 . 1 . . . . . . . . 4909 1 212 . 1 1 25 25 ILE N N 15 132.54 0.05 . 1 . . . . . . . . 4909 1 213 . 1 1 26 26 THR H H 1 9.14 0.02 . 1 . . . . . . . . 4909 1 214 . 1 1 26 26 THR HA H 1 5.28 0.02 . 1 . . . . . . . . 4909 1 215 . 1 1 26 26 THR HB H 1 3.88 0.02 . 1 . . . . . . . . 4909 1 216 . 1 1 26 26 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4909 1 217 . 1 1 26 26 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4909 1 218 . 1 1 26 26 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4909 1 219 . 1 1 26 26 THR CA C 13 62.50 0.05 . 1 . . . . . . . . 4909 1 220 . 1 1 26 26 THR CB C 13 69.63 0.05 . 1 . . . . . . . . 4909 1 221 . 1 1 26 26 THR N N 15 124.01 0.05 . 1 . . . . . . . . 4909 1 222 . 1 1 27 27 ILE H H 1 9.69 0.02 . 1 . . . . . . . . 4909 1 223 . 1 1 27 27 ILE HA H 1 4.94 0.02 . 1 . . . . . . . . 4909 1 224 . 1 1 27 27 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4909 1 225 . 1 1 27 27 ILE HG12 H 1 1.06 0.02 . 2 . . . . . . . . 4909 1 226 . 1 1 27 27 ILE CA C 13 59.65 0.05 . 1 . . . . . . . . 4909 1 227 . 1 1 27 27 ILE CB C 13 41.10 0.05 . 1 . . . . . . . . 4909 1 228 . 1 1 27 27 ILE N N 15 130.20 0.05 . 1 . . . . . . . . 4909 1 229 . 1 1 28 28 LEU H H 1 8.94 0.02 . 1 . . . . . . . . 4909 1 230 . 1 1 28 28 LEU HA H 1 5.10 0.02 . 1 . . . . . . . . 4909 1 231 . 1 1 28 28 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 4909 1 232 . 1 1 28 28 LEU HB3 H 1 1.50 0.02 . 2 . . . . . . . . 4909 1 233 . 1 1 28 28 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 4909 1 234 . 1 1 28 28 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 4909 1 235 . 1 1 28 28 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 4909 1 236 . 1 1 28 28 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4909 1 237 . 1 1 28 28 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4909 1 238 . 1 1 28 28 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4909 1 239 . 1 1 28 28 LEU CA C 13 52.51 0.05 . 1 . . . . . . . . 4909 1 240 . 1 1 28 28 LEU CB C 13 44.43 0.05 . 1 . . . . . . . . 4909 1 241 . 1 1 28 28 LEU N N 15 127.40 0.05 . 1 . . . . . . . . 4909 1 242 . 1 1 29 29 GLY H H 1 7.00 0.02 . 1 . . . . . . . . 4909 1 243 . 1 1 29 29 GLY HA2 H 1 4.23 0.02 . 2 . . . . . . . . 4909 1 244 . 1 1 29 29 GLY HA3 H 1 4.02 0.02 . 2 . . . . . . . . 4909 1 245 . 1 1 29 29 GLY CA C 13 45.97 0.05 . 1 . . . . . . . . 4909 1 246 . 1 1 29 29 GLY N N 15 108.82 0.05 . 1 . . . . . . . . 4909 1 247 . 1 1 30 30 THR H H 1 8.93 0.02 . 1 . . . . . . . . 4909 1 248 . 1 1 30 30 THR HA H 1 4.81 0.02 . 1 . . . . . . . . 4909 1 249 . 1 1 30 30 THR HB H 1 3.87 0.02 . 1 . . . . . . . . 4909 1 250 . 1 1 30 30 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 4909 1 251 . 1 1 30 30 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 4909 1 252 . 1 1 30 30 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 4909 1 253 . 1 1 30 30 THR CA C 13 61.55 0.05 . 1 . . . . . . . . 4909 1 254 . 1 1 30 30 THR CB C 13 71.06 0.05 . 1 . . . . . . . . 4909 1 255 . 1 1 30 30 THR N N 15 115.97 0.05 . 1 . . . . . . . . 4909 1 256 . 1 1 31 31 VAL H H 1 8.40 0.02 . 1 . . . . . . . . 4909 1 257 . 1 1 31 31 VAL HA H 1 4.13 0.02 . 1 . . . . . . . . 4909 1 258 . 1 1 31 31 VAL HB H 1 2.63 0.02 . 1 . . . . . . . . 4909 1 259 . 1 1 31 31 VAL HG11 H 1 1.34 0.02 . 2 . . . . . . . . 4909 1 260 . 1 1 31 31 VAL HG12 H 1 1.34 0.02 . 2 . . . . . . . . 4909 1 261 . 1 1 31 31 VAL HG13 H 1 1.34 0.02 . 2 . . . . . . . . 4909 1 262 . 1 1 31 31 VAL HG21 H 1 1.12 0.02 . 2 . . . . . . . . 4909 1 263 . 1 1 31 31 VAL HG22 H 1 1.12 0.02 . 2 . . . . . . . . 4909 1 264 . 1 1 31 31 VAL HG23 H 1 1.12 0.02 . 2 . . . . . . . . 4909 1 265 . 1 1 31 31 VAL CA C 13 63.45 0.05 . 1 . . . . . . . . 4909 1 266 . 1 1 31 31 VAL CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 267 . 1 1 31 31 VAL N N 15 128.40 0.05 . 1 . . . . . . . . 4909 1 268 . 1 1 32 32 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 4909 1 269 . 1 1 32 32 LYS HA H 1 4.42 0.02 . 1 . . . . . . . . 4909 1 270 . 1 1 32 32 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4909 1 271 . 1 1 32 32 LYS HB3 H 1 1.29 0.02 . 2 . . . . . . . . 4909 1 272 . 1 1 32 32 LYS HG2 H 1 1.34 0.02 . 2 . . . . . . . . 4909 1 273 . 1 1 32 32 LYS HG3 H 1 1.18 0.02 . 2 . . . . . . . . 4909 1 274 . 1 1 32 32 LYS HD2 H 1 1.67 0.02 . 2 . . . . . . . . 4909 1 275 . 1 1 32 32 LYS HD3 H 1 1.50 0.02 . 2 . . . . . . . . 4909 1 276 . 1 1 32 32 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . 4909 1 277 . 1 1 32 32 LYS CA C 13 55.84 0.05 . 1 . . . . . . . . 4909 1 278 . 1 1 32 32 LYS CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 279 . 1 1 32 32 LYS N N 15 129.12 0.05 . 1 . . . . . . . . 4909 1 280 . 1 1 33 33 PRO HA H 1 4.18 0.02 . 1 . . . . . . . . 4909 1 281 . 1 1 33 33 PRO HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4909 1 282 . 1 1 33 33 PRO HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4909 1 283 . 1 1 33 33 PRO HG2 H 1 1.25 0.02 . 2 . . . . . . . . 4909 1 284 . 1 1 33 33 PRO CA C 13 63.45 0.05 . 1 . . . . . . . . 4909 1 285 . 1 1 33 33 PRO CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 286 . 1 1 34 34 ASN H H 1 8.44 0.02 . 1 . . . . . . . . 4909 1 287 . 1 1 34 34 ASN HA H 1 4.44 0.02 . 1 . . . . . . . . 4909 1 288 . 1 1 34 34 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 4909 1 289 . 1 1 34 34 ASN HB3 H 1 2.74 0.02 . 2 . . . . . . . . 4909 1 290 . 1 1 34 34 ASN CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 291 . 1 1 34 34 ASN CB C 13 36.82 0.05 . 1 . . . . . . . . 4909 1 292 . 1 1 34 34 ASN N N 15 116.07 0.05 . 1 . . . . . . . . 4909 1 293 . 1 1 35 35 ALA H H 1 6.93 0.02 . 1 . . . . . . . . 4909 1 294 . 1 1 35 35 ALA HA H 1 3.65 0.02 . 1 . . . . . . . . 4909 1 295 . 1 1 35 35 ALA HB1 H 1 0.62 0.02 . 1 . . . . . . . . 4909 1 296 . 1 1 35 35 ALA HB2 H 1 0.62 0.02 . 1 . . . . . . . . 4909 1 297 . 1 1 35 35 ALA HB3 H 1 0.62 0.02 . 1 . . . . . . . . 4909 1 298 . 1 1 35 35 ALA CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 299 . 1 1 35 35 ALA CB C 13 20.17 0.05 . 1 . . . . . . . . 4909 1 300 . 1 1 35 35 ALA N N 15 119.85 0.05 . 1 . . . . . . . . 4909 1 301 . 1 1 36 36 ASN H H 1 9.64 0.02 . 1 . . . . . . . . 4909 1 302 . 1 1 36 36 ASN HA H 1 4.96 0.02 . 1 . . . . . . . . 4909 1 303 . 1 1 36 36 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4909 1 304 . 1 1 36 36 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4909 1 305 . 1 1 36 36 ASN HD21 H 1 7.78 0.02 . 2 . . . . . . . . 4909 1 306 . 1 1 36 36 ASN HD22 H 1 7.03 0.02 . 2 . . . . . . . . 4909 1 307 . 1 1 36 36 ASN CA C 13 54.89 0.05 . 1 . . . . . . . . 4909 1 308 . 1 1 36 36 ASN CB C 13 41.57 0.05 . 1 . . . . . . . . 4909 1 309 . 1 1 36 36 ASN N N 15 116.90 0.05 . 1 . . . . . . . . 4909 1 310 . 1 1 37 37 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 4909 1 311 . 1 1 37 37 ARG HA H 1 5.57 0.02 . 1 . . . . . . . . 4909 1 312 . 1 1 37 37 ARG HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4909 1 313 . 1 1 37 37 ARG HB3 H 1 1.62 0.02 . 2 . . . . . . . . 4909 1 314 . 1 1 37 37 ARG HG2 H 1 1.73 0.02 . 2 . . . . . . . . 4909 1 315 . 1 1 37 37 ARG HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4909 1 316 . 1 1 37 37 ARG HD2 H 1 3.32 0.02 . 2 . . . . . . . . 4909 1 317 . 1 1 37 37 ARG HD3 H 1 3.16 0.02 . 2 . . . . . . . . 4909 1 318 . 1 1 37 37 ARG CA C 13 54.89 0.05 . 1 . . . . . . . . 4909 1 319 . 1 1 37 37 ARG CB C 13 33.49 0.05 . 1 . . . . . . . . 4909 1 320 . 1 1 37 37 ARG N N 15 118.00 0.05 . 1 . . . . . . . . 4909 1 321 . 1 1 38 38 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 4909 1 322 . 1 1 38 38 ILE HA H 1 4.24 0.02 . 1 . . . . . . . . 4909 1 323 . 1 1 38 38 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 4909 1 324 . 1 1 38 38 ILE HG12 H 1 1.04 0.02 . 2 . . . . . . . . 4909 1 325 . 1 1 38 38 ILE HG21 H 1 0.79 0.02 . 4 . . . . . . . . 4909 1 326 . 1 1 38 38 ILE HG22 H 1 0.79 0.02 . 4 . . . . . . . . 4909 1 327 . 1 1 38 38 ILE HG23 H 1 0.79 0.02 . 4 . . . . . . . . 4909 1 328 . 1 1 38 38 ILE HD11 H 1 0.56 0.02 . 4 . . . . . . . . 4909 1 329 . 1 1 38 38 ILE HD12 H 1 0.56 0.02 . 4 . . . . . . . . 4909 1 330 . 1 1 38 38 ILE HD13 H 1 0.56 0.02 . 4 . . . . . . . . 4909 1 331 . 1 1 38 38 ILE CA C 13 60.60 0.05 . 1 . . . . . . . . 4909 1 332 . 1 1 38 38 ILE CB C 13 42.52 0.05 . 1 . . . . . . . . 4909 1 333 . 1 1 38 38 ILE N N 15 120.23 0.05 . 1 . . . . . . . . 4909 1 334 . 1 1 39 39 ALA H H 1 8.76 0.02 . 1 . . . . . . . . 4909 1 335 . 1 1 39 39 ALA HA H 1 5.24 0.02 . 1 . . . . . . . . 4909 1 336 . 1 1 39 39 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 4909 1 337 . 1 1 39 39 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 4909 1 338 . 1 1 39 39 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 4909 1 339 . 1 1 39 39 ALA CA C 13 52.04 0.05 . 1 . . . . . . . . 4909 1 340 . 1 1 39 39 ALA CB C 13 21.12 0.05 . 1 . . . . . . . . 4909 1 341 . 1 1 39 39 ALA N N 15 127.43 0.05 . 1 . . . . . . . . 4909 1 342 . 1 1 40 40 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4909 1 343 . 1 1 40 40 LEU HA H 1 5.12 0.02 . 1 . . . . . . . . 4909 1 344 . 1 1 40 40 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4909 1 345 . 1 1 40 40 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4909 1 346 . 1 1 40 40 LEU HG H 1 1.32 0.02 . 1 . . . . . . . . 4909 1 347 . 1 1 40 40 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4909 1 348 . 1 1 40 40 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4909 1 349 . 1 1 40 40 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4909 1 350 . 1 1 40 40 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 4909 1 351 . 1 1 40 40 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 4909 1 352 . 1 1 40 40 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 4909 1 353 . 1 1 40 40 LEU CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 354 . 1 1 40 40 LEU CB C 13 43.95 0.05 . 1 . . . . . . . . 4909 1 355 . 1 1 40 40 LEU N N 15 122.26 0.05 . 1 . . . . . . . . 4909 1 356 . 1 1 41 41 ASP H H 1 9.09 0.02 . 1 . . . . . . . . 4909 1 357 . 1 1 41 41 ASP HA H 1 5.52 0.02 . 1 . . . . . . . . 4909 1 358 . 1 1 41 41 ASP HB2 H 1 2.54 0.02 . 2 . . . . . . . . 4909 1 359 . 1 1 41 41 ASP HB3 H 1 2.38 0.02 . 2 . . . . . . . . 4909 1 360 . 1 1 41 41 ASP CA C 13 53.50 0.05 . 1 . . . . . . . . 4909 1 361 . 1 1 41 41 ASP CB C 13 43.50 0.05 . 1 . . . . . . . . 4909 1 362 . 1 1 41 41 ASP N N 15 121.50 0.05 . 1 . . . . . . . . 4909 1 363 . 1 1 42 42 PHE H H 1 9.36 0.02 . 1 . . . . . . . . 4909 1 364 . 1 1 42 42 PHE HA H 1 4.86 0.02 . 1 . . . . . . . . 4909 1 365 . 1 1 42 42 PHE HB2 H 1 3.40 0.02 . 2 . . . . . . . . 4909 1 366 . 1 1 42 42 PHE HB3 H 1 3.03 0.02 . 2 . . . . . . . . 4909 1 367 . 1 1 42 42 PHE CA C 13 58.22 0.05 . 1 . . . . . . . . 4909 1 368 . 1 1 42 42 PHE CB C 13 38.24 0.05 . 1 . . . . . . . . 4909 1 369 . 1 1 42 42 PHE N N 15 125.75 0.05 . 1 . . . . . . . . 4909 1 370 . 1 1 43 43 GLN H H 1 9.19 0.02 . 1 . . . . . . . . 4909 1 371 . 1 1 43 43 GLN HA H 1 4.76 0.02 . 1 . . . . . . . . 4909 1 372 . 1 1 43 43 GLN HB2 H 1 2.34 0.02 . 2 . . . . . . . . 4909 1 373 . 1 1 43 43 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4909 1 374 . 1 1 43 43 GLN HE21 H 1 7.02 0.02 . 2 . . . . . . . . 4909 1 375 . 1 1 43 43 GLN HE22 H 1 6.43 0.02 . 2 . . . . . . . . 4909 1 376 . 1 1 43 43 GLN CA C 13 56.79 0.05 . 1 . . . . . . . . 4909 1 377 . 1 1 43 43 GLN CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 378 . 1 1 43 43 GLN N N 15 127.58 0.05 . 1 . . . . . . . . 4909 1 379 . 1 1 44 44 ARG H H 1 8.23 0.02 . 1 . . . . . . . . 4909 1 380 . 1 1 44 44 ARG HA H 1 4.44 0.02 . 1 . . . . . . . . 4909 1 381 . 1 1 44 44 ARG HG2 H 1 1.48 0.02 . 2 . . . . . . . . 4909 1 382 . 1 1 44 44 ARG CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 383 . 1 1 44 44 ARG CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 384 . 1 1 44 44 ARG N N 15 125.82 0.05 . 1 . . . . . . . . 4909 1 385 . 1 1 45 45 GLY H H 1 8.16 0.02 . 1 . . . . . . . . 4909 1 386 . 1 1 45 45 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 4909 1 387 . 1 1 45 45 GLY HA3 H 1 3.70 0.02 . 2 . . . . . . . . 4909 1 388 . 1 1 45 45 GLY CA C 13 47.50 0.05 . 1 . . . . . . . . 4909 1 389 . 1 1 45 45 GLY N N 15 108.00 0.05 . 1 . . . . . . . . 4909 1 390 . 1 1 46 46 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 4909 1 391 . 1 1 46 46 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4909 1 392 . 1 1 46 46 ASN HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4909 1 393 . 1 1 46 46 ASN HD21 H 1 7.65 0.02 . 2 . . . . . . . . 4909 1 394 . 1 1 46 46 ASN HD22 H 1 6.95 0.02 . 2 . . . . . . . . 4909 1 395 . 1 1 46 46 ASN CA C 13 53.46 0.05 . 1 . . . . . . . . 4909 1 396 . 1 1 46 46 ASN CB C 13 38.72 0.05 . 1 . . . . . . . . 4909 1 397 . 1 1 47 47 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 4909 1 398 . 1 1 47 47 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 4909 1 399 . 1 1 47 47 ASP HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4909 1 400 . 1 1 47 47 ASP CA C 13 53.46 0.05 . 1 . . . . . . . . 4909 1 401 . 1 1 47 47 ASP CB C 13 42.05 0.05 . 1 . . . . . . . . 4909 1 402 . 1 1 47 47 ASP N N 15 120.34 0.05 . 1 . . . . . . . . 4909 1 403 . 1 1 48 48 VAL H H 1 9.26 0.02 . 1 . . . . . . . . 4909 1 404 . 1 1 48 48 VAL HA H 1 4.48 0.02 . 1 . . . . . . . . 4909 1 405 . 1 1 48 48 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 4909 1 406 . 1 1 48 48 VAL HG11 H 1 1.28 0.02 . 2 . . . . . . . . 4909 1 407 . 1 1 48 48 VAL HG12 H 1 1.28 0.02 . 2 . . . . . . . . 4909 1 408 . 1 1 48 48 VAL HG13 H 1 1.28 0.02 . 2 . . . . . . . . 4909 1 409 . 1 1 48 48 VAL HG21 H 1 0.86 0.02 . 2 . . . . . . . . 4909 1 410 . 1 1 48 48 VAL HG22 H 1 0.86 0.02 . 2 . . . . . . . . 4909 1 411 . 1 1 48 48 VAL HG23 H 1 0.86 0.02 . 2 . . . . . . . . 4909 1 412 . 1 1 48 48 VAL CA C 13 61.55 0.05 . 1 . . . . . . . . 4909 1 413 . 1 1 48 48 VAL CB C 13 32.54 0.05 . 1 . . . . . . . . 4909 1 414 . 1 1 48 48 VAL N N 15 121.48 0.05 . 1 . . . . . . . . 4909 1 415 . 1 1 49 49 ALA H H 1 8.93 0.02 . 1 . . . . . . . . 4909 1 416 . 1 1 49 49 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4909 1 417 . 1 1 49 49 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . 4909 1 418 . 1 1 49 49 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . 4909 1 419 . 1 1 49 49 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4909 1 420 . 1 1 49 49 ALA CA C 13 54.89 0.05 . 1 . . . . . . . . 4909 1 421 . 1 1 49 49 ALA CB C 13 19.72 0.05 . 1 . . . . . . . . 4909 1 422 . 1 1 49 49 ALA N N 15 127.97 0.05 . 1 . . . . . . . . 4909 1 423 . 1 1 50 50 PHE H H 1 7.70 0.02 . 1 . . . . . . . . 4909 1 424 . 1 1 50 50 PHE HA H 1 5.16 0.02 . 1 . . . . . . . . 4909 1 425 . 1 1 50 50 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 4909 1 426 . 1 1 50 50 PHE HB3 H 1 2.25 0.02 . 2 . . . . . . . . 4909 1 427 . 1 1 50 50 PHE CA C 13 55.84 0.05 . 1 . . . . . . . . 4909 1 428 . 1 1 50 50 PHE CB C 13 40.15 0.05 . 1 . . . . . . . . 4909 1 429 . 1 1 50 50 PHE N N 15 118.89 0.05 . 1 . . . . . . . . 4909 1 430 . 1 1 51 51 HIS H H 1 9.41 0.02 . 1 . . . . . . . . 4909 1 431 . 1 1 51 51 HIS HA H 1 5.50 0.02 . 1 . . . . . . . . 4909 1 432 . 1 1 51 51 HIS HB2 H 1 3.31 0.02 . 2 . . . . . . . . 4909 1 433 . 1 1 51 51 HIS HB3 H 1 3.13 0.02 . 2 . . . . . . . . 4909 1 434 . 1 1 51 51 HIS CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 435 . 1 1 51 51 HIS CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 436 . 1 1 51 51 HIS N N 15 133.91 0.05 . 1 . . . . . . . . 4909 1 437 . 1 1 52 52 PHE H H 1 8.45 0.02 . 1 . . . . . . . . 4909 1 438 . 1 1 52 52 PHE HA H 1 4.70 0.02 . 1 . . . . . . . . 4909 1 439 . 1 1 52 52 PHE HB2 H 1 2.57 0.02 . 2 . . . . . . . . 4909 1 440 . 1 1 52 52 PHE HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4909 1 441 . 1 1 52 52 PHE CA C 13 55.37 0.05 . 1 . . . . . . . . 4909 1 442 . 1 1 52 52 PHE CB C 13 40.62 0.05 . 1 . . . . . . . . 4909 1 443 . 1 1 52 52 PHE N N 15 127.33 0.05 . 1 . . . . . . . . 4909 1 444 . 1 1 53 53 ASN H H 1 8.40 0.02 . 1 . . . . . . . . 4909 1 445 . 1 1 53 53 ASN HA H 1 5.30 0.02 . 1 . . . . . . . . 4909 1 446 . 1 1 53 53 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4909 1 447 . 1 1 53 53 ASN HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4909 1 448 . 1 1 53 53 ASN HD21 H 1 7.52 0.02 . 2 . . . . . . . . 4909 1 449 . 1 1 53 53 ASN HD22 H 1 6.02 0.02 . 2 . . . . . . . . 4909 1 450 . 1 1 53 53 ASN CA C 13 49.66 0.05 . 1 . . . . . . . . 4909 1 451 . 1 1 53 53 ASN CB C 13 41.10 0.05 . 1 . . . . . . . . 4909 1 452 . 1 1 53 53 ASN N N 15 123.66 0.05 . 1 . . . . . . . . 4909 1 453 . 1 1 54 54 PRO HA H 1 4.32 0.02 . 1 . . . . . . . . 4909 1 454 . 1 1 54 54 PRO HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4909 1 455 . 1 1 54 54 PRO HB3 H 1 1.41 0.02 . 2 . . . . . . . . 4909 1 456 . 1 1 54 54 PRO CA C 13 63.45 0.05 . 1 . . . . . . . . 4909 1 457 . 1 1 54 54 PRO CB C 13 31.11 0.05 . 1 . . . . . . . . 4909 1 458 . 1 1 55 55 ARG H H 1 9.36 0.02 . 1 . . . . . . . . 4909 1 459 . 1 1 55 55 ARG HA H 1 4.80 0.02 . 1 . . . . . . . . 4909 1 460 . 1 1 55 55 ARG HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4909 1 461 . 1 1 55 55 ARG HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4909 1 462 . 1 1 55 55 ARG HD2 H 1 3.22 0.02 . 2 . . . . . . . . 4909 1 463 . 1 1 55 55 ARG CA C 13 55.37 0.05 . 1 . . . . . . . . 4909 1 464 . 1 1 55 55 ARG CB C 13 31.11 0.05 . 1 . . . . . . . . 4909 1 465 . 1 1 55 55 ARG N N 15 126.60 0.05 . 1 . . . . . . . . 4909 1 466 . 1 1 56 56 PHE H H 1 8.17 0.02 . 1 . . . . . . . . 4909 1 467 . 1 1 56 56 PHE HA H 1 3.75 0.02 . 1 . . . . . . . . 4909 1 468 . 1 1 56 56 PHE HB2 H 1 3.05 0.02 . 2 . . . . . . . . 4909 1 469 . 1 1 56 56 PHE HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4909 1 470 . 1 1 56 56 PHE CA C 13 59.65 0.05 . 1 . . . . . . . . 4909 1 471 . 1 1 56 56 PHE CB C 13 39.20 0.05 . 1 . . . . . . . . 4909 1 472 . 1 1 56 56 PHE N N 15 119.20 0.05 . 1 . . . . . . . . 4909 1 473 . 1 1 57 57 ASN H H 1 8.71 0.02 . 1 . . . . . . . . 4909 1 474 . 1 1 57 57 ASN HA H 1 4.52 0.02 . 1 . . . . . . . . 4909 1 475 . 1 1 57 57 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4909 1 476 . 1 1 57 57 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 4909 1 477 . 1 1 57 57 ASN HD21 H 1 7.47 0.02 . 2 . . . . . . . . 4909 1 478 . 1 1 57 57 ASN HD22 H 1 6.72 0.02 . 2 . . . . . . . . 4909 1 479 . 1 1 57 57 ASN CA C 13 52.51 0.05 . 1 . . . . . . . . 4909 1 480 . 1 1 57 57 ASN CB C 13 38.24 0.05 . 1 . . . . . . . . 4909 1 481 . 1 1 57 57 ASN N N 15 117.89 0.05 . 1 . . . . . . . . 4909 1 482 . 1 1 58 58 GLU H H 1 8.98 0.02 . 1 . . . . . . . . 4909 1 483 . 1 1 58 58 GLU HA H 1 4.60 0.02 . 1 . . . . . . . . 4909 1 484 . 1 1 58 58 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4909 1 485 . 1 1 58 58 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4909 1 486 . 1 1 58 58 GLU CA C 13 54.41 0.05 . 1 . . . . . . . . 4909 1 487 . 1 1 58 58 GLU CB C 13 29.94 0.05 . 1 . . . . . . . . 4909 1 488 . 1 1 58 58 GLU N N 15 125.99 0.05 . 1 . . . . . . . . 4909 1 489 . 1 1 59 59 ASN HA H 1 4.35 0.02 . 1 . . . . . . . . 4909 1 490 . 1 1 59 59 ASN HB2 H 1 3.05 0.02 . 2 . . . . . . . . 4909 1 491 . 1 1 59 59 ASN HB3 H 1 2.73 0.02 . 2 . . . . . . . . 4909 1 492 . 1 1 59 59 ASN HD21 H 1 7.58 0.02 . 2 . . . . . . . . 4909 1 493 . 1 1 59 59 ASN HD22 H 1 6.84 0.02 . 2 . . . . . . . . 4909 1 494 . 1 1 59 59 ASN CA C 13 54.41 0.05 . 1 . . . . . . . . 4909 1 495 . 1 1 59 59 ASN CB C 13 37.29 0.05 . 1 . . . . . . . . 4909 1 496 . 1 1 60 60 ASN H H 1 8.09 0.02 . 1 . . . . . . . . 4909 1 497 . 1 1 60 60 ASN HA H 1 4.38 0.02 . 1 . . . . . . . . 4909 1 498 . 1 1 60 60 ASN HB2 H 1 3.10 0.02 . 2 . . . . . . . . 4909 1 499 . 1 1 60 60 ASN HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4909 1 500 . 1 1 60 60 ASN HD21 H 1 7.49 0.02 . 2 . . . . . . . . 4909 1 501 . 1 1 60 60 ASN HD22 H 1 6.86 0.02 . 2 . . . . . . . . 4909 1 502 . 1 1 60 60 ASN CA C 13 54.80 0.05 . 1 . . . . . . . . 4909 1 503 . 1 1 60 60 ASN CB C 13 37.00 0.05 . 1 . . . . . . . . 4909 1 504 . 1 1 60 60 ASN N N 15 108.60 0.05 . 1 . . . . . . . . 4909 1 505 . 1 1 61 61 ARG H H 1 7.47 0.02 . 1 . . . . . . . . 4909 1 506 . 1 1 61 61 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 4909 1 507 . 1 1 61 61 ARG HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4909 1 508 . 1 1 61 61 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4909 1 509 . 1 1 61 61 ARG HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4909 1 510 . 1 1 61 61 ARG HD2 H 1 3.22 0.02 . 2 . . . . . . . . 4909 1 511 . 1 1 61 61 ARG HD3 H 1 3.20 0.02 . 2 . . . . . . . . 4909 1 512 . 1 1 61 61 ARG CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 513 . 1 1 61 61 ARG CB C 13 33.01 0.05 . 1 . . . . . . . . 4909 1 514 . 1 1 61 61 ARG N N 15 117.75 0.05 . 1 . . . . . . . . 4909 1 515 . 1 1 62 62 ARG H H 1 7.90 0.02 . 1 . . . . . . . . 4909 1 516 . 1 1 62 62 ARG HA H 1 4.50 0.02 . 1 . . . . . . . . 4909 1 517 . 1 1 62 62 ARG HB2 H 1 1.60 0.02 . 2 . . . . . . . . 4909 1 518 . 1 1 62 62 ARG HG2 H 1 0.93 0.02 . 2 . . . . . . . . 4909 1 519 . 1 1 62 62 ARG HG3 H 1 -0.51 0.02 . 2 . . . . . . . . 4909 1 520 . 1 1 62 62 ARG HD2 H 1 2.92 0.02 . 2 . . . . . . . . 4909 1 521 . 1 1 62 62 ARG HD3 H 1 2.78 0.02 . 2 . . . . . . . . 4909 1 522 . 1 1 62 62 ARG CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 523 . 1 1 62 62 ARG CB C 13 28.26 0.05 . 1 . . . . . . . . 4909 1 524 . 1 1 62 62 ARG N N 15 119.46 0.05 . 1 . . . . . . . . 4909 1 525 . 1 1 63 63 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 4909 1 526 . 1 1 63 63 VAL HA H 1 4.66 0.02 . 1 . . . . . . . . 4909 1 527 . 1 1 63 63 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4909 1 528 . 1 1 63 63 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 4909 1 529 . 1 1 63 63 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 4909 1 530 . 1 1 63 63 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 4909 1 531 . 1 1 63 63 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 4909 1 532 . 1 1 63 63 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 4909 1 533 . 1 1 63 63 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 4909 1 534 . 1 1 63 63 VAL CA C 13 60.12 0.05 . 1 . . . . . . . . 4909 1 535 . 1 1 63 63 VAL CB C 13 35.39 0.05 . 1 . . . . . . . . 4909 1 536 . 1 1 63 63 VAL N N 15 122.12 0.05 . 1 . . . . . . . . 4909 1 537 . 1 1 64 64 ILE H H 1 8.79 0.02 . 1 . . . . . . . . 4909 1 538 . 1 1 64 64 ILE HA H 1 4.29 0.02 . 1 . . . . . . . . 4909 1 539 . 1 1 64 64 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4909 1 540 . 1 1 64 64 ILE HG21 H 1 0.20 0.02 . 4 . . . . . . . . 4909 1 541 . 1 1 64 64 ILE HG22 H 1 0.20 0.02 . 4 . . . . . . . . 4909 1 542 . 1 1 64 64 ILE HG23 H 1 0.20 0.02 . 4 . . . . . . . . 4909 1 543 . 1 1 64 64 ILE HD11 H 1 0.87 0.02 . 4 . . . . . . . . 4909 1 544 . 1 1 64 64 ILE HD12 H 1 0.87 0.02 . 4 . . . . . . . . 4909 1 545 . 1 1 64 64 ILE HD13 H 1 0.87 0.02 . 4 . . . . . . . . 4909 1 546 . 1 1 64 64 ILE CA C 13 60.60 0.05 . 1 . . . . . . . . 4909 1 547 . 1 1 64 64 ILE CB C 13 38.72 0.05 . 1 . . . . . . . . 4909 1 548 . 1 1 64 64 ILE N N 15 124.94 0.05 . 1 . . . . . . . . 4909 1 549 . 1 1 65 65 VAL H H 1 7.42 0.02 . 1 . . . . . . . . 4909 1 550 . 1 1 65 65 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 4909 1 551 . 1 1 65 65 VAL HB H 1 2.00 0.02 . 1 . . . . . . . . 4909 1 552 . 1 1 65 65 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 4909 1 553 . 1 1 65 65 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 4909 1 554 . 1 1 65 65 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 4909 1 555 . 1 1 65 65 VAL HG21 H 1 0.75 0.02 . 2 . . . . . . . . 4909 1 556 . 1 1 65 65 VAL HG22 H 1 0.75 0.02 . 2 . . . . . . . . 4909 1 557 . 1 1 65 65 VAL HG23 H 1 0.75 0.02 . 2 . . . . . . . . 4909 1 558 . 1 1 65 65 VAL CA C 13 62.02 0.05 . 1 . . . . . . . . 4909 1 559 . 1 1 65 65 VAL CB C 13 33.49 0.05 . 1 . . . . . . . . 4909 1 560 . 1 1 65 65 VAL N N 15 128.43 0.05 . 1 . . . . . . . . 4909 1 561 . 1 1 66 66 CYS H H 1 8.85 0.02 . 1 . . . . . . . . 4909 1 562 . 1 1 66 66 CYS HA H 1 6.15 0.02 . 1 . . . . . . . . 4909 1 563 . 1 1 66 66 CYS HB2 H 1 3.32 0.02 . 2 . . . . . . . . 4909 1 564 . 1 1 66 66 CYS HB3 H 1 3.11 0.02 . 2 . . . . . . . . 4909 1 565 . 1 1 66 66 CYS CA C 13 55.37 0.05 . 1 . . . . . . . . 4909 1 566 . 1 1 66 66 CYS CB C 13 32.06 0.05 . 1 . . . . . . . . 4909 1 567 . 1 1 66 66 CYS N N 15 124.01 0.05 . 1 . . . . . . . . 4909 1 568 . 1 1 67 67 ASN H H 1 9.02 0.02 . 1 . . . . . . . . 4909 1 569 . 1 1 67 67 ASN HA H 1 5.65 0.02 . 1 . . . . . . . . 4909 1 570 . 1 1 67 67 ASN HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4909 1 571 . 1 1 67 67 ASN HD21 H 1 8.64 0.02 . 2 . . . . . . . . 4909 1 572 . 1 1 67 67 ASN HD22 H 1 7.72 0.02 . 2 . . . . . . . . 4909 1 573 . 1 1 67 67 ASN CA C 13 52.04 0.05 . 1 . . . . . . . . 4909 1 574 . 1 1 67 67 ASN CB C 13 42.52 0.05 . 1 . . . . . . . . 4909 1 575 . 1 1 67 67 ASN N N 15 119.52 0.05 . 1 . . . . . . . . 4909 1 576 . 1 1 68 68 THR H H 1 10.06 0.02 . 1 . . . . . . . . 4909 1 577 . 1 1 68 68 THR HA H 1 4.82 0.02 . 1 . . . . . . . . 4909 1 578 . 1 1 68 68 THR HB H 1 4.30 0.02 . 1 . . . . . . . . 4909 1 579 . 1 1 68 68 THR HG21 H 1 1.52 0.02 . 1 . . . . . . . . 4909 1 580 . 1 1 68 68 THR HG22 H 1 1.52 0.02 . 1 . . . . . . . . 4909 1 581 . 1 1 68 68 THR HG23 H 1 1.52 0.02 . 1 . . . . . . . . 4909 1 582 . 1 1 68 68 THR CA C 13 62.02 0.05 . 1 . . . . . . . . 4909 1 583 . 1 1 68 68 THR CB C 13 87.45 0.05 . 1 . . . . . . . . 4909 1 584 . 1 1 68 68 THR N N 15 118.73 0.05 . 1 . . . . . . . . 4909 1 585 . 1 1 69 69 LYS H H 1 9.14 0.02 . 1 . . . . . . . . 4909 1 586 . 1 1 69 69 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 4909 1 587 . 1 1 69 69 LYS HB2 H 1 2.33 0.02 . 2 . . . . . . . . 4909 1 588 . 1 1 69 69 LYS HG2 H 1 0.82 0.02 . 2 . . . . . . . . 4909 1 589 . 1 1 69 69 LYS HG3 H 1 0.55 0.02 . 2 . . . . . . . . 4909 1 590 . 1 1 69 69 LYS HE2 H 1 3.02 0.02 . 2 . . . . . . . . 4909 1 591 . 1 1 69 69 LYS HE3 H 1 3.11 0.02 . 2 . . . . . . . . 4909 1 592 . 1 1 69 69 LYS CA C 13 54.41 0.05 . 1 . . . . . . . . 4909 1 593 . 1 1 69 69 LYS CB C 13 33.01 0.05 . 1 . . . . . . . . 4909 1 594 . 1 1 69 69 LYS N N 15 130.81 0.05 . 1 . . . . . . . . 4909 1 595 . 1 1 70 70 LEU H H 1 7.96 0.02 . 1 . . . . . . . . 4909 1 596 . 1 1 70 70 LEU HA H 1 4.68 0.02 . 1 . . . . . . . . 4909 1 597 . 1 1 70 70 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 4909 1 598 . 1 1 70 70 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 4909 1 599 . 1 1 70 70 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 4909 1 600 . 1 1 70 70 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 4909 1 601 . 1 1 70 70 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 4909 1 602 . 1 1 70 70 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 4909 1 603 . 1 1 70 70 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 4909 1 604 . 1 1 70 70 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 4909 1 605 . 1 1 70 70 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 4909 1 606 . 1 1 70 70 LEU CA C 13 52.51 0.05 . 1 . . . . . . . . 4909 1 607 . 1 1 70 70 LEU CB C 13 44.43 0.05 . 1 . . . . . . . . 4909 1 608 . 1 1 70 70 LEU N N 15 126.63 0.05 . 1 . . . . . . . . 4909 1 609 . 1 1 71 71 ASP H H 1 9.05 0.02 . 1 . . . . . . . . 4909 1 610 . 1 1 71 71 ASP HA H 1 4.22 0.02 . 1 . . . . . . . . 4909 1 611 . 1 1 71 71 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4909 1 612 . 1 1 71 71 ASP HB3 H 1 2.53 0.02 . 2 . . . . . . . . 4909 1 613 . 1 1 71 71 ASP CA C 13 55.37 0.05 . 1 . . . . . . . . 4909 1 614 . 1 1 71 71 ASP CB C 13 39.20 0.05 . 1 . . . . . . . . 4909 1 615 . 1 1 71 71 ASP N N 15 126.40 0.05 . 1 . . . . . . . . 4909 1 616 . 1 1 72 72 ASN H H 1 9.18 0.02 . 1 . . . . . . . . 4909 1 617 . 1 1 72 72 ASN HA H 1 3.80 0.02 . 1 . . . . . . . . 4909 1 618 . 1 1 72 72 ASN HB2 H 1 3.05 0.02 . 2 . . . . . . . . 4909 1 619 . 1 1 72 72 ASN HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4909 1 620 . 1 1 72 72 ASN HD21 H 1 7.51 0.02 . 2 . . . . . . . . 4909 1 621 . 1 1 72 72 ASN HD22 H 1 6.85 0.02 . 2 . . . . . . . . 4909 1 622 . 1 1 72 72 ASN CA C 13 54.41 0.05 . 1 . . . . . . . . 4909 1 623 . 1 1 72 72 ASN CB C 13 38.24 0.05 . 1 . . . . . . . . 4909 1 624 . 1 1 72 72 ASN N N 15 109.00 0.05 . 1 . . . . . . . . 4909 1 625 . 1 1 73 73 ASN H H 1 7.83 0.02 . 1 . . . . . . . . 4909 1 626 . 1 1 73 73 ASN HA H 1 5.09 0.02 . 1 . . . . . . . . 4909 1 627 . 1 1 73 73 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4909 1 628 . 1 1 73 73 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4909 1 629 . 1 1 73 73 ASN HD21 H 1 7.44 0.02 . 2 . . . . . . . . 4909 1 630 . 1 1 73 73 ASN HD22 H 1 6.90 0.02 . 2 . . . . . . . . 4909 1 631 . 1 1 73 73 ASN CA C 13 52.04 0.05 . 1 . . . . . . . . 4909 1 632 . 1 1 73 73 ASN CB C 13 41.10 0.05 . 1 . . . . . . . . 4909 1 633 . 1 1 73 73 ASN N N 15 118.06 0.05 . 1 . . . . . . . . 4909 1 634 . 1 1 74 74 TRP H H 1 8.92 0.02 . 1 . . . . . . . . 4909 1 635 . 1 1 74 74 TRP HA H 1 4.87 0.02 . 1 . . . . . . . . 4909 1 636 . 1 1 74 74 TRP HB2 H 1 3.46 0.02 . 2 . . . . . . . . 4909 1 637 . 1 1 74 74 TRP HB3 H 1 3.14 0.02 . 2 . . . . . . . . 4909 1 638 . 1 1 74 74 TRP CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 639 . 1 1 74 74 TRP CB C 13 29.68 0.05 . 1 . . . . . . . . 4909 1 640 . 1 1 74 74 TRP N N 15 127.34 0.05 . 1 . . . . . . . . 4909 1 641 . 1 1 75 75 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 4909 1 642 . 1 1 75 75 GLY HA2 H 1 4.64 0.02 . 2 . . . . . . . . 4909 1 643 . 1 1 75 75 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4909 1 644 . 1 1 75 75 GLY CA C 13 44.43 0.05 . 1 . . . . . . . . 4909 1 645 . 1 1 75 75 GLY N N 15 110.85 0.05 . 1 . . . . . . . . 4909 1 646 . 1 1 76 76 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 4909 1 647 . 1 1 76 76 ARG HA H 1 4.46 0.02 . 1 . . . . . . . . 4909 1 648 . 1 1 76 76 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4909 1 649 . 1 1 76 76 ARG HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4909 1 650 . 1 1 76 76 ARG HG2 H 1 1.82 0.02 . 2 . . . . . . . . 4909 1 651 . 1 1 76 76 ARG HD2 H 1 3.36 0.02 . 2 . . . . . . . . 4909 1 652 . 1 1 76 76 ARG HD3 H 1 3.40 0.02 . 2 . . . . . . . . 4909 1 653 . 1 1 76 76 ARG CA C 13 55.84 0.05 . 1 . . . . . . . . 4909 1 654 . 1 1 76 76 ARG CB C 13 30.16 0.05 . 1 . . . . . . . . 4909 1 655 . 1 1 76 76 ARG N N 15 124.72 0.05 . 1 . . . . . . . . 4909 1 656 . 1 1 77 77 GLU H H 1 8.83 0.02 . 1 . . . . . . . . 4909 1 657 . 1 1 77 77 GLU HA H 1 4.41 0.02 . 1 . . . . . . . . 4909 1 658 . 1 1 77 77 GLU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 4909 1 659 . 1 1 77 77 GLU CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 660 . 1 1 77 77 GLU CB C 13 30.63 0.05 . 1 . . . . . . . . 4909 1 661 . 1 1 77 77 GLU N N 15 125.89 0.05 . 1 . . . . . . . . 4909 1 662 . 1 1 78 78 GLU H H 1 9.20 0.02 . 1 . . . . . . . . 4909 1 663 . 1 1 78 78 GLU HA H 1 4.83 0.02 . 1 . . . . . . . . 4909 1 664 . 1 1 78 78 GLU HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4909 1 665 . 1 1 78 78 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4909 1 666 . 1 1 78 78 GLU HG2 H 1 2.40 0.02 . 2 . . . . . . . . 4909 1 667 . 1 1 78 78 GLU CA C 13 55.37 0.05 . 1 . . . . . . . . 4909 1 668 . 1 1 78 78 GLU CB C 13 30.63 0.05 . 1 . . . . . . . . 4909 1 669 . 1 1 78 78 GLU N N 15 122.93 0.05 . 1 . . . . . . . . 4909 1 670 . 1 1 79 79 ARG H H 1 8.93 0.02 . 1 . . . . . . . . 4909 1 671 . 1 1 79 79 ARG HA H 1 4.58 0.02 . 1 . . . . . . . . 4909 1 672 . 1 1 79 79 ARG HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4909 1 673 . 1 1 79 79 ARG HB3 H 1 1.65 0.02 . 2 . . . . . . . . 4909 1 674 . 1 1 79 79 ARG HG2 H 1 1.56 0.02 . 2 . . . . . . . . 4909 1 675 . 1 1 79 79 ARG HG3 H 1 0.51 0.02 . 2 . . . . . . . . 4909 1 676 . 1 1 79 79 ARG HD2 H 1 3.27 0.02 . 2 . . . . . . . . 4909 1 677 . 1 1 79 79 ARG HD3 H 1 3.12 0.02 . 2 . . . . . . . . 4909 1 678 . 1 1 79 79 ARG CA C 13 55.00 0.05 . 1 . . . . . . . . 4909 1 679 . 1 1 79 79 ARG CB C 13 33.49 0.05 . 1 . . . . . . . . 4909 1 680 . 1 1 79 79 ARG N N 15 124.87 0.05 . 1 . . . . . . . . 4909 1 681 . 1 1 80 80 GLN H H 1 8.88 0.02 . 1 . . . . . . . . 4909 1 682 . 1 1 80 80 GLN HA H 1 5.48 0.02 . 1 . . . . . . . . 4909 1 683 . 1 1 80 80 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4909 1 684 . 1 1 80 80 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4909 1 685 . 1 1 80 80 GLN HG2 H 1 2.82 0.02 . 2 . . . . . . . . 4909 1 686 . 1 1 80 80 GLN HG3 H 1 2.63 0.02 . 2 . . . . . . . . 4909 1 687 . 1 1 80 80 GLN HE21 H 1 7.43 0.02 . 2 . . . . . . . . 4909 1 688 . 1 1 80 80 GLN HE22 H 1 7.11 0.02 . 2 . . . . . . . . 4909 1 689 . 1 1 80 80 GLN CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 690 . 1 1 80 80 GLN CB C 13 32.54 0.05 . 1 . . . . . . . . 4909 1 691 . 1 1 80 80 GLN N N 15 121.84 0.05 . 1 . . . . . . . . 4909 1 692 . 1 1 81 81 SER HA H 1 4.70 0.02 . 1 . . . . . . . . 4909 1 693 . 1 1 81 81 SER HB2 H 1 4.06 0.02 . 2 . . . . . . . . 4909 1 694 . 1 1 81 81 SER HB3 H 1 4.04 0.02 . 2 . . . . . . . . 4909 1 695 . 1 1 81 81 SER CA C 13 59.17 0.05 . 1 . . . . . . . . 4909 1 696 . 1 1 81 81 SER CB C 13 63.93 0.05 . 1 . . . . . . . . 4909 1 697 . 1 1 82 82 VAL H H 1 7.86 0.02 . 1 . . . . . . . . 4909 1 698 . 1 1 82 82 VAL HA H 1 3.86 0.02 . 1 . . . . . . . . 4909 1 699 . 1 1 82 82 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . 4909 1 700 . 1 1 82 82 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 4909 1 701 . 1 1 82 82 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 4909 1 702 . 1 1 82 82 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 4909 1 703 . 1 1 82 82 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 704 . 1 1 82 82 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 705 . 1 1 82 82 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 706 . 1 1 82 82 VAL CA C 13 64.40 0.05 . 1 . . . . . . . . 4909 1 707 . 1 1 82 82 VAL CB C 13 31.11 0.05 . 1 . . . . . . . . 4909 1 708 . 1 1 82 82 VAL N N 15 125.65 0.05 . 1 . . . . . . . . 4909 1 709 . 1 1 83 83 PHE H H 1 8.37 0.02 . 1 . . . . . . . . 4909 1 710 . 1 1 83 83 PHE HA H 1 4.89 0.02 . 1 . . . . . . . . 4909 1 711 . 1 1 83 83 PHE HB2 H 1 3.42 0.02 . 2 . . . . . . . . 4909 1 712 . 1 1 83 83 PHE HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4909 1 713 . 1 1 83 83 PHE CA C 13 55.84 0.05 . 1 . . . . . . . . 4909 1 714 . 1 1 83 83 PHE CB C 13 41.10 0.05 . 1 . . . . . . . . 4909 1 715 . 1 1 83 83 PHE N N 15 125.89 0.05 . 1 . . . . . . . . 4909 1 716 . 1 1 84 84 PRO HA H 1 4.64 0.02 . 1 . . . . . . . . 4909 1 717 . 1 1 84 84 PRO HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4909 1 718 . 1 1 84 84 PRO HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4909 1 719 . 1 1 84 84 PRO HG2 H 1 0.79 0.02 . 2 . . . . . . . . 4909 1 720 . 1 1 84 84 PRO HD2 H 1 3.45 0.02 . 2 . . . . . . . . 4909 1 721 . 1 1 84 84 PRO HD3 H 1 2.90 0.02 . 2 . . . . . . . . 4909 1 722 . 1 1 84 84 PRO CA C 13 62.50 0.05 . 1 . . . . . . . . 4909 1 723 . 1 1 84 84 PRO CB C 13 31.11 0.05 . 1 . . . . . . . . 4909 1 724 . 1 1 85 85 PHE H H 1 5.87 0.02 . 1 . . . . . . . . 4909 1 725 . 1 1 85 85 PHE HA H 1 4.46 0.02 . 1 . . . . . . . . 4909 1 726 . 1 1 85 85 PHE HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4909 1 727 . 1 1 85 85 PHE HB3 H 1 2.32 0.02 . 2 . . . . . . . . 4909 1 728 . 1 1 85 85 PHE CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 729 . 1 1 85 85 PHE CB C 13 41.57 0.05 . 1 . . . . . . . . 4909 1 730 . 1 1 85 85 PHE N N 15 114.20 0.05 . 1 . . . . . . . . 4909 1 731 . 1 1 86 86 GLU H H 1 9.20 0.02 . 1 . . . . . . . . 4909 1 732 . 1 1 86 86 GLU HA H 1 4.93 0.02 . 1 . . . . . . . . 4909 1 733 . 1 1 86 86 GLU HB2 H 1 2.61 0.02 . 2 . . . . . . . . 4909 1 734 . 1 1 86 86 GLU HB3 H 1 2.43 0.02 . 2 . . . . . . . . 4909 1 735 . 1 1 86 86 GLU CA C 13 54.89 0.05 . 1 . . . . . . . . 4909 1 736 . 1 1 86 86 GLU CB C 13 33.49 0.05 . 1 . . . . . . . . 4909 1 737 . 1 1 86 86 GLU N N 15 120.45 0.05 . 1 . . . . . . . . 4909 1 738 . 1 1 87 87 SER H H 1 9.10 0.02 . 1 . . . . . . . . 4909 1 739 . 1 1 87 87 SER HA H 1 3.95 0.02 . 1 . . . . . . . . 4909 1 740 . 1 1 87 87 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4909 1 741 . 1 1 87 87 SER CA C 13 60.60 0.05 . 1 . . . . . . . . 4909 1 742 . 1 1 87 87 SER CB C 13 62.98 0.05 . 1 . . . . . . . . 4909 1 743 . 1 1 87 87 SER N N 15 120.85 0.05 . 1 . . . . . . . . 4909 1 744 . 1 1 88 88 GLY H H 1 7.19 0.02 . 1 . . . . . . . . 4909 1 745 . 1 1 88 88 GLY HA2 H 1 4.26 0.02 . 2 . . . . . . . . 4909 1 746 . 1 1 88 88 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 4909 1 747 . 1 1 88 88 GLY CA C 13 45.38 0.05 . 1 . . . . . . . . 4909 1 748 . 1 1 88 88 GLY N N 15 112.89 0.05 . 1 . . . . . . . . 4909 1 749 . 1 1 89 89 LYS H H 1 7.80 0.02 . 1 . . . . . . . . 4909 1 750 . 1 1 89 89 LYS HA H 1 5.15 0.02 . 1 . . . . . . . . 4909 1 751 . 1 1 89 89 LYS HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4909 1 752 . 1 1 89 89 LYS HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4909 1 753 . 1 1 89 89 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 4909 1 754 . 1 1 89 89 LYS HD2 H 1 1.71 0.02 . 2 . . . . . . . . 4909 1 755 . 1 1 89 89 LYS HD3 H 1 1.80 0.02 . 2 . . . . . . . . 4909 1 756 . 1 1 89 89 LYS HE2 H 1 3.10 0.02 . 2 . . . . . . . . 4909 1 757 . 1 1 89 89 LYS CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 758 . 1 1 89 89 LYS CB C 13 33.01 0.05 . 1 . . . . . . . . 4909 1 759 . 1 1 89 89 LYS N N 15 118.50 0.05 . 1 . . . . . . . . 4909 1 760 . 1 1 90 90 PRO HA H 1 5.26 0.02 . 1 . . . . . . . . 4909 1 761 . 1 1 90 90 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 4909 1 762 . 1 1 90 90 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4909 1 763 . 1 1 90 90 PRO HG2 H 1 2.11 0.02 . 2 . . . . . . . . 4909 1 764 . 1 1 90 90 PRO HG3 H 1 3.81 0.02 . 2 . . . . . . . . 4909 1 765 . 1 1 90 90 PRO HD2 H 1 3.81 0.02 . 2 . . . . . . . . 4909 1 766 . 1 1 90 90 PRO HD3 H 1 4.06 0.02 . 2 . . . . . . . . 4909 1 767 . 1 1 90 90 PRO CA C 13 62.50 0.05 . 1 . . . . . . . . 4909 1 768 . 1 1 90 90 PRO CB C 13 33.01 0.05 . 1 . . . . . . . . 4909 1 769 . 1 1 91 91 PHE H H 1 8.79 0.02 . 1 . . . . . . . . 4909 1 770 . 1 1 91 91 PHE HA H 1 5.56 0.02 . 1 . . . . . . . . 4909 1 771 . 1 1 91 91 PHE HB2 H 1 3.37 0.02 . 2 . . . . . . . . 4909 1 772 . 1 1 91 91 PHE HB3 H 1 2.98 0.02 . 2 . . . . . . . . 4909 1 773 . 1 1 91 91 PHE CA C 13 55.84 0.05 . 1 . . . . . . . . 4909 1 774 . 1 1 91 91 PHE CB C 13 43.00 0.05 . 1 . . . . . . . . 4909 1 775 . 1 1 91 91 PHE N N 15 116.65 0.05 . 1 . . . . . . . . 4909 1 776 . 1 1 92 92 LYS H H 1 8.16 0.02 . 1 . . . . . . . . 4909 1 777 . 1 1 92 92 LYS HA H 1 5.25 0.02 . 1 . . . . . . . . 4909 1 778 . 1 1 92 92 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4909 1 779 . 1 1 92 92 LYS HG2 H 1 1.33 0.02 . 2 . . . . . . . . 4909 1 780 . 1 1 92 92 LYS HG3 H 1 1.20 0.02 . 2 . . . . . . . . 4909 1 781 . 1 1 92 92 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 4909 1 782 . 1 1 92 92 LYS HD3 H 1 1.62 0.02 . 2 . . . . . . . . 4909 1 783 . 1 1 92 92 LYS CA C 13 54.89 0.05 . 1 . . . . . . . . 4909 1 784 . 1 1 92 92 LYS CB C 13 36.34 0.05 . 1 . . . . . . . . 4909 1 785 . 1 1 92 92 LYS N N 15 122.03 0.05 . 1 . . . . . . . . 4909 1 786 . 1 1 93 93 ILE H H 1 9.88 0.02 . 1 . . . . . . . . 4909 1 787 . 1 1 93 93 ILE HA H 1 4.96 0.02 . 1 . . . . . . . . 4909 1 788 . 1 1 93 93 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 4909 1 789 . 1 1 93 93 ILE HG21 H 1 0.71 0.02 . 4 . . . . . . . . 4909 1 790 . 1 1 93 93 ILE HG22 H 1 0.71 0.02 . 4 . . . . . . . . 4909 1 791 . 1 1 93 93 ILE HG23 H 1 0.71 0.02 . 4 . . . . . . . . 4909 1 792 . 1 1 93 93 ILE CA C 13 60.12 0.05 . 1 . . . . . . . . 4909 1 793 . 1 1 93 93 ILE CB C 13 41.57 0.05 . 1 . . . . . . . . 4909 1 794 . 1 1 93 93 ILE N N 15 127.72 0.05 . 1 . . . . . . . . 4909 1 795 . 1 1 94 94 GLN H H 1 9.36 0.02 . 1 . . . . . . . . 4909 1 796 . 1 1 94 94 GLN HA H 1 5.82 0.02 . 1 . . . . . . . . 4909 1 797 . 1 1 94 94 GLN HB2 H 1 2.61 0.02 . 2 . . . . . . . . 4909 1 798 . 1 1 94 94 GLN HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4909 1 799 . 1 1 94 94 GLN HE21 H 1 7.83 0.02 . 2 . . . . . . . . 4909 1 800 . 1 1 94 94 GLN HE22 H 1 7.21 0.02 . 2 . . . . . . . . 4909 1 801 . 1 1 94 94 GLN CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 802 . 1 1 94 94 GLN CB C 13 33.01 0.05 . 1 . . . . . . . . 4909 1 803 . 1 1 94 94 GLN N N 15 125.63 0.05 . 1 . . . . . . . . 4909 1 804 . 1 1 95 95 VAL H H 1 9.63 0.02 . 1 . . . . . . . . 4909 1 805 . 1 1 95 95 VAL HA H 1 5.09 0.02 . 1 . . . . . . . . 4909 1 806 . 1 1 95 95 VAL HB H 1 2.33 0.02 . 1 . . . . . . . . 4909 1 807 . 1 1 95 95 VAL HG11 H 1 1.13 0.02 . 2 . . . . . . . . 4909 1 808 . 1 1 95 95 VAL HG12 H 1 1.13 0.02 . 2 . . . . . . . . 4909 1 809 . 1 1 95 95 VAL HG13 H 1 1.13 0.02 . 2 . . . . . . . . 4909 1 810 . 1 1 95 95 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 811 . 1 1 95 95 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 812 . 1 1 95 95 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 813 . 1 1 95 95 VAL CA C 13 60.60 0.05 . 1 . . . . . . . . 4909 1 814 . 1 1 95 95 VAL CB C 13 33.49 0.05 . 1 . . . . . . . . 4909 1 815 . 1 1 95 95 VAL N N 15 124.54 0.05 . 1 . . . . . . . . 4909 1 816 . 1 1 96 96 LEU H H 1 9.51 0.02 . 1 . . . . . . . . 4909 1 817 . 1 1 96 96 LEU HA H 1 5.47 0.02 . 1 . . . . . . . . 4909 1 818 . 1 1 96 96 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4909 1 819 . 1 1 96 96 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 4909 1 820 . 1 1 96 96 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 4909 1 821 . 1 1 96 96 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 4909 1 822 . 1 1 96 96 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 4909 1 823 . 1 1 96 96 LEU HD21 H 1 0.47 0.02 . 2 . . . . . . . . 4909 1 824 . 1 1 96 96 LEU HD22 H 1 0.47 0.02 . 2 . . . . . . . . 4909 1 825 . 1 1 96 96 LEU HD23 H 1 0.47 0.02 . 2 . . . . . . . . 4909 1 826 . 1 1 96 96 LEU CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 827 . 1 1 96 96 LEU CB C 13 44.90 0.05 . 1 . . . . . . . . 4909 1 828 . 1 1 96 96 LEU N N 15 130.91 0.05 . 1 . . . . . . . . 4909 1 829 . 1 1 97 97 VAL H H 1 9.08 0.02 . 1 . . . . . . . . 4909 1 830 . 1 1 97 97 VAL HA H 1 3.97 0.02 . 1 . . . . . . . . 4909 1 831 . 1 1 97 97 VAL HB H 1 2.54 0.02 . 1 . . . . . . . . 4909 1 832 . 1 1 97 97 VAL HG11 H 1 1.10 0.02 . 2 . . . . . . . . 4909 1 833 . 1 1 97 97 VAL HG12 H 1 1.10 0.02 . 2 . . . . . . . . 4909 1 834 . 1 1 97 97 VAL HG13 H 1 1.10 0.02 . 2 . . . . . . . . 4909 1 835 . 1 1 97 97 VAL HG21 H 1 0.49 0.02 . 2 . . . . . . . . 4909 1 836 . 1 1 97 97 VAL HG22 H 1 0.49 0.02 . 2 . . . . . . . . 4909 1 837 . 1 1 97 97 VAL HG23 H 1 0.49 0.02 . 2 . . . . . . . . 4909 1 838 . 1 1 97 97 VAL CA C 13 62.98 0.05 . 1 . . . . . . . . 4909 1 839 . 1 1 97 97 VAL CB C 13 30.68 0.05 . 1 . . . . . . . . 4909 1 840 . 1 1 97 97 VAL N N 15 127.87 0.05 . 1 . . . . . . . . 4909 1 841 . 1 1 98 98 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 4909 1 842 . 1 1 98 98 GLU HA H 1 5.10 0.02 . 1 . . . . . . . . 4909 1 843 . 1 1 98 98 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4909 1 844 . 1 1 98 98 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4909 1 845 . 1 1 98 98 GLU CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 846 . 1 1 98 98 GLU CB C 13 28.73 0.05 . 1 . . . . . . . . 4909 1 847 . 1 1 98 98 GLU N N 15 128.62 0.05 . 1 . . . . . . . . 4909 1 848 . 1 1 99 99 PRO HA H 1 4.72 0.02 . 1 . . . . . . . . 4909 1 849 . 1 1 99 99 PRO HB2 H 1 2.48 0.02 . 2 . . . . . . . . 4909 1 850 . 1 1 99 99 PRO HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4909 1 851 . 1 1 99 99 PRO HG2 H 1 1.16 0.02 . 2 . . . . . . . . 4909 1 852 . 1 1 99 99 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 4909 1 853 . 1 1 99 99 PRO HD2 H 1 3.90 0.02 . 2 . . . . . . . . 4909 1 854 . 1 1 99 99 PRO CA C 13 65.83 0.05 . 1 . . . . . . . . 4909 1 855 . 1 1 99 99 PRO CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 856 . 1 1 100 100 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 4909 1 857 . 1 1 100 100 ASP HA H 1 5.00 0.02 . 1 . . . . . . . . 4909 1 858 . 1 1 100 100 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4909 1 859 . 1 1 100 100 ASP HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4909 1 860 . 1 1 100 100 ASP CA C 13 53.46 0.05 . 1 . . . . . . . . 4909 1 861 . 1 1 100 100 ASP CB C 13 41.57 0.05 . 1 . . . . . . . . 4909 1 862 . 1 1 100 100 ASP N N 15 107.50 0.05 . 1 . . . . . . . . 4909 1 863 . 1 1 101 101 HIS H H 1 6.56 0.02 . 1 . . . . . . . . 4909 1 864 . 1 1 101 101 HIS HA H 1 4.08 0.02 . 1 . . . . . . . . 4909 1 865 . 1 1 101 101 HIS HB2 H 1 3.35 0.02 . 2 . . . . . . . . 4909 1 866 . 1 1 101 101 HIS HB3 H 1 2.50 0.02 . 2 . . . . . . . . 4909 1 867 . 1 1 101 101 HIS CA C 13 54.41 0.05 . 1 . . . . . . . . 4909 1 868 . 1 1 101 101 HIS CB C 13 31.59 0.05 . 1 . . . . . . . . 4909 1 869 . 1 1 101 101 HIS N N 15 116.40 0.05 . 1 . . . . . . . . 4909 1 870 . 1 1 102 102 PHE H H 1 8.63 0.02 . 1 . . . . . . . . 4909 1 871 . 1 1 102 102 PHE HA H 1 5.02 0.02 . 1 . . . . . . . . 4909 1 872 . 1 1 102 102 PHE HB2 H 1 2.58 0.02 . 2 . . . . . . . . 4909 1 873 . 1 1 102 102 PHE HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4909 1 874 . 1 1 102 102 PHE CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 875 . 1 1 102 102 PHE CB C 13 41.10 0.05 . 1 . . . . . . . . 4909 1 876 . 1 1 102 102 PHE N N 15 115.17 0.05 . 1 . . . . . . . . 4909 1 877 . 1 1 103 103 LYS H H 1 9.77 0.02 . 1 . . . . . . . . 4909 1 878 . 1 1 103 103 LYS HA H 1 5.03 0.02 . 1 . . . . . . . . 4909 1 879 . 1 1 103 103 LYS HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4909 1 880 . 1 1 103 103 LYS HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4909 1 881 . 1 1 103 103 LYS HG2 H 1 1.22 0.02 . 4 . . . . . . . . 4909 1 882 . 1 1 103 103 LYS HG3 H 1 0.98 0.02 . 4 . . . . . . . . 4909 1 883 . 1 1 103 103 LYS HD2 H 1 1.83 0.02 . 4 . . . . . . . . 4909 1 884 . 1 1 103 103 LYS HD3 H 1 1.55 0.02 . 4 . . . . . . . . 4909 1 885 . 1 1 103 103 LYS CA C 13 56.32 0.05 . 1 . . . . . . . . 4909 1 886 . 1 1 103 103 LYS CB C 13 35.87 0.05 . 1 . . . . . . . . 4909 1 887 . 1 1 103 103 LYS N N 15 124.06 0.05 . 1 . . . . . . . . 4909 1 888 . 1 1 104 104 VAL H H 1 9.15 0.02 . 1 . . . . . . . . 4909 1 889 . 1 1 104 104 VAL HA H 1 5.05 0.02 . 1 . . . . . . . . 4909 1 890 . 1 1 104 104 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 4909 1 891 . 1 1 104 104 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 4909 1 892 . 1 1 104 104 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 4909 1 893 . 1 1 104 104 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 4909 1 894 . 1 1 104 104 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 4909 1 895 . 1 1 104 104 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 4909 1 896 . 1 1 104 104 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 4909 1 897 . 1 1 104 104 VAL CA C 13 61.07 0.05 . 1 . . . . . . . . 4909 1 898 . 1 1 104 104 VAL CB C 13 33.96 0.05 . 1 . . . . . . . . 4909 1 899 . 1 1 104 104 VAL N N 15 124.07 0.05 . 1 . . . . . . . . 4909 1 900 . 1 1 105 105 ALA H H 1 9.32 0.02 . 1 . . . . . . . . 4909 1 901 . 1 1 105 105 ALA HA H 1 5.06 0.02 . 1 . . . . . . . . 4909 1 902 . 1 1 105 105 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 4909 1 903 . 1 1 105 105 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 4909 1 904 . 1 1 105 105 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 4909 1 905 . 1 1 105 105 ALA CA C 13 50.61 0.05 . 1 . . . . . . . . 4909 1 906 . 1 1 105 105 ALA CB C 13 22.07 0.05 . 1 . . . . . . . . 4909 1 907 . 1 1 105 105 ALA N N 15 130.91 0.05 . 1 . . . . . . . . 4909 1 908 . 1 1 106 106 VAL H H 1 8.55 0.02 . 1 . . . . . . . . 4909 1 909 . 1 1 106 106 VAL HA H 1 5.16 0.02 . 1 . . . . . . . . 4909 1 910 . 1 1 106 106 VAL HB H 1 1.69 0.02 . 1 . . . . . . . . 4909 1 911 . 1 1 106 106 VAL HG11 H 1 0.80 0.02 . 2 . . . . . . . . 4909 1 912 . 1 1 106 106 VAL HG12 H 1 0.80 0.02 . 2 . . . . . . . . 4909 1 913 . 1 1 106 106 VAL HG13 H 1 0.80 0.02 . 2 . . . . . . . . 4909 1 914 . 1 1 106 106 VAL HG21 H 1 0.36 0.02 . 2 . . . . . . . . 4909 1 915 . 1 1 106 106 VAL HG22 H 1 0.36 0.02 . 2 . . . . . . . . 4909 1 916 . 1 1 106 106 VAL HG23 H 1 0.36 0.02 . 2 . . . . . . . . 4909 1 917 . 1 1 106 106 VAL CA C 13 60.12 0.05 . 1 . . . . . . . . 4909 1 918 . 1 1 106 106 VAL CB C 13 33.96 0.05 . 1 . . . . . . . . 4909 1 919 . 1 1 106 106 VAL N N 15 121.49 0.05 . 1 . . . . . . . . 4909 1 920 . 1 1 107 107 ASN H H 1 9.93 0.02 . 1 . . . . . . . . 4909 1 921 . 1 1 107 107 ASN HA H 1 4.38 0.02 . 1 . . . . . . . . 4909 1 922 . 1 1 107 107 ASN HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4909 1 923 . 1 1 107 107 ASN HD21 H 1 7.67 0.02 . 2 . . . . . . . . 4909 1 924 . 1 1 107 107 ASN HD22 H 1 6.83 0.02 . 2 . . . . . . . . 4909 1 925 . 1 1 107 107 ASN CA C 13 54.41 0.05 . 1 . . . . . . . . 4909 1 926 . 1 1 107 107 ASN CB C 13 35.87 0.05 . 1 . . . . . . . . 4909 1 927 . 1 1 107 107 ASN N N 15 127.73 0.05 . 1 . . . . . . . . 4909 1 928 . 1 1 108 108 ASP H H 1 8.99 0.02 . 1 . . . . . . . . 4909 1 929 . 1 1 108 108 ASP HA H 1 4.14 0.02 . 1 . . . . . . . . 4909 1 930 . 1 1 108 108 ASP HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4909 1 931 . 1 1 108 108 ASP HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4909 1 932 . 1 1 108 108 ASP CA C 13 56.32 0.05 . 1 . . . . . . . . 4909 1 933 . 1 1 108 108 ASP CB C 13 38.72 0.05 . 1 . . . . . . . . 4909 1 934 . 1 1 108 108 ASP N N 15 108.27 0.05 . 1 . . . . . . . . 4909 1 935 . 1 1 109 109 ALA H H 1 7.74 0.02 . 1 . . . . . . . . 4909 1 936 . 1 1 109 109 ALA HA H 1 4.82 0.02 . 1 . . . . . . . . 4909 1 937 . 1 1 109 109 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 4909 1 938 . 1 1 109 109 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 4909 1 939 . 1 1 109 109 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 4909 1 940 . 1 1 109 109 ALA CA C 13 50.61 0.05 . 1 . . . . . . . . 4909 1 941 . 1 1 109 109 ALA CB C 13 21.12 0.05 . 1 . . . . . . . . 4909 1 942 . 1 1 109 109 ALA N N 15 122.06 0.05 . 1 . . . . . . . . 4909 1 943 . 1 1 110 110 HIS HA H 1 3.12 0.02 . 1 . . . . . . . . 4909 1 944 . 1 1 110 110 HIS HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4909 1 945 . 1 1 110 110 HIS CA C 13 59.65 0.05 . 1 . . . . . . . . 4909 1 946 . 1 1 110 110 HIS CB C 13 30.63 0.05 . 1 . . . . . . . . 4909 1 947 . 1 1 111 111 LEU H H 1 8.93 0.02 . 1 . . . . . . . . 4909 1 948 . 1 1 111 111 LEU HA H 1 4.62 0.02 . 1 . . . . . . . . 4909 1 949 . 1 1 111 111 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4909 1 950 . 1 1 111 111 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 4909 1 951 . 1 1 111 111 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4909 1 952 . 1 1 111 111 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4909 1 953 . 1 1 111 111 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4909 1 954 . 1 1 111 111 LEU HD21 H 1 0.55 0.02 . 2 . . . . . . . . 4909 1 955 . 1 1 111 111 LEU HD22 H 1 0.55 0.02 . 2 . . . . . . . . 4909 1 956 . 1 1 111 111 LEU HD23 H 1 0.55 0.02 . 2 . . . . . . . . 4909 1 957 . 1 1 111 111 LEU CA C 13 55.37 0.05 . 1 . . . . . . . . 4909 1 958 . 1 1 111 111 LEU CB C 13 44.90 0.05 . 1 . . . . . . . . 4909 1 959 . 1 1 111 111 LEU N N 15 128.37 0.05 . 1 . . . . . . . . 4909 1 960 . 1 1 112 112 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 4909 1 961 . 1 1 112 112 LEU HA H 1 4.73 0.02 . 1 . . . . . . . . 4909 1 962 . 1 1 112 112 LEU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4909 1 963 . 1 1 112 112 LEU HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4909 1 964 . 1 1 112 112 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 4909 1 965 . 1 1 112 112 LEU HD11 H 1 1.04 0.02 . 2 . . . . . . . . 4909 1 966 . 1 1 112 112 LEU HD12 H 1 1.04 0.02 . 2 . . . . . . . . 4909 1 967 . 1 1 112 112 LEU HD13 H 1 1.04 0.02 . 2 . . . . . . . . 4909 1 968 . 1 1 112 112 LEU CA C 13 54.41 0.05 . 1 . . . . . . . . 4909 1 969 . 1 1 112 112 LEU CB C 13 43.00 0.05 . 1 . . . . . . . . 4909 1 970 . 1 1 112 112 LEU N N 15 110.52 0.05 . 1 . . . . . . . . 4909 1 971 . 1 1 113 113 GLN H H 1 8.78 0.02 . 1 . . . . . . . . 4909 1 972 . 1 1 113 113 GLN HA H 1 5.45 0.02 . 1 . . . . . . . . 4909 1 973 . 1 1 113 113 GLN HB2 H 1 2.20 0.02 . 2 . . . . . . . . 4909 1 974 . 1 1 113 113 GLN HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4909 1 975 . 1 1 113 113 GLN HG2 H 1 2.93 0.02 . 2 . . . . . . . . 4909 1 976 . 1 1 113 113 GLN HG3 H 1 2.69 0.02 . 2 . . . . . . . . 4909 1 977 . 1 1 113 113 GLN HE21 H 1 6.88 0.02 . 2 . . . . . . . . 4909 1 978 . 1 1 113 113 GLN CA C 13 53.46 0.05 . 1 . . . . . . . . 4909 1 979 . 1 1 113 113 GLN CB C 13 32.54 0.05 . 1 . . . . . . . . 4909 1 980 . 1 1 113 113 GLN N N 15 119.52 0.05 . 1 . . . . . . . . 4909 1 981 . 1 1 114 114 TYR H H 1 8.99 0.02 . 1 . . . . . . . . 4909 1 982 . 1 1 114 114 TYR HA H 1 4.80 0.02 . 1 . . . . . . . . 4909 1 983 . 1 1 114 114 TYR HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4909 1 984 . 1 1 114 114 TYR HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4909 1 985 . 1 1 114 114 TYR CA C 13 56.79 0.05 . 1 . . . . . . . . 4909 1 986 . 1 1 114 114 TYR CB C 13 41.57 0.05 . 1 . . . . . . . . 4909 1 987 . 1 1 114 114 TYR N N 15 126.05 0.05 . 1 . . . . . . . . 4909 1 988 . 1 1 115 115 ASN H H 1 9.31 0.02 . 1 . . . . . . . . 4909 1 989 . 1 1 115 115 ASN HA H 1 4.56 0.02 . 1 . . . . . . . . 4909 1 990 . 1 1 115 115 ASN HB2 H 1 2.68 0.02 . 2 . . . . . . . . 4909 1 991 . 1 1 115 115 ASN HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4909 1 992 . 1 1 115 115 ASN HD21 H 1 7.36 0.02 . 2 . . . . . . . . 4909 1 993 . 1 1 115 115 ASN HD22 H 1 6.80 0.02 . 2 . . . . . . . . 4909 1 994 . 1 1 115 115 ASN CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 995 . 1 1 115 115 ASN CB C 13 37.29 0.05 . 1 . . . . . . . . 4909 1 996 . 1 1 115 115 ASN N N 15 130.12 0.05 . 1 . . . . . . . . 4909 1 997 . 1 1 116 116 HIS H H 1 7.18 0.02 . 1 . . . . . . . . 4909 1 998 . 1 1 116 116 HIS HA H 1 4.63 0.02 . 1 . . . . . . . . 4909 1 999 . 1 1 116 116 HIS HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4909 1 1000 . 1 1 116 116 HIS HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4909 1 1001 . 1 1 116 116 HIS CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 1002 . 1 1 116 116 HIS CB C 13 30.63 0.05 . 1 . . . . . . . . 4909 1 1003 . 1 1 116 116 HIS N N 15 117.60 0.05 . 1 . . . . . . . . 4909 1 1004 . 1 1 117 117 ARG H H 1 9.48 0.02 . 1 . . . . . . . . 4909 1 1005 . 1 1 117 117 ARG HA H 1 4.56 0.02 . 1 . . . . . . . . 4909 1 1006 . 1 1 117 117 ARG HB2 H 1 2.14 0.02 . 2 . . . . . . . . 4909 1 1007 . 1 1 117 117 ARG HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4909 1 1008 . 1 1 117 117 ARG HD2 H 1 2.00 0.02 . 4 . . . . . . . . 4909 1 1009 . 1 1 117 117 ARG HD3 H 1 3.41 0.02 . 2 . . . . . . . . 4909 1 1010 . 1 1 117 117 ARG CA C 13 57.00 0.05 . 1 . . . . . . . . 4909 1 1011 . 1 1 117 117 ARG CB C 13 31.00 0.05 . 1 . . . . . . . . 4909 1 1012 . 1 1 117 117 ARG N N 15 125.62 0.05 . 1 . . . . . . . . 4909 1 1013 . 1 1 118 118 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 4909 1 1014 . 1 1 118 118 VAL HA H 1 4.14 0.02 . 1 . . . . . . . . 4909 1 1015 . 1 1 118 118 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4909 1 1016 . 1 1 118 118 VAL HG11 H 1 1.08 0.02 . 2 . . . . . . . . 4909 1 1017 . 1 1 118 118 VAL HG12 H 1 1.08 0.02 . 2 . . . . . . . . 4909 1 1018 . 1 1 118 118 VAL HG13 H 1 1.08 0.02 . 2 . . . . . . . . 4909 1 1019 . 1 1 118 118 VAL HG21 H 1 0.92 0.02 . 2 . . . . . . . . 4909 1 1020 . 1 1 118 118 VAL HG22 H 1 0.92 0.02 . 2 . . . . . . . . 4909 1 1021 . 1 1 118 118 VAL HG23 H 1 0.92 0.02 . 2 . . . . . . . . 4909 1 1022 . 1 1 118 118 VAL CA C 13 61.55 0.05 . 1 . . . . . . . . 4909 1 1023 . 1 1 118 118 VAL CB C 13 32.54 0.05 . 1 . . . . . . . . 4909 1 1024 . 1 1 118 118 VAL N N 15 120.77 0.05 . 1 . . . . . . . . 4909 1 1025 . 1 1 119 119 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4909 1 1026 . 1 1 119 119 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4909 1 1027 . 1 1 119 119 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 4909 1 1028 . 1 1 119 119 LYS HG2 H 1 1.66 0.02 . 2 . . . . . . . . 4909 1 1029 . 1 1 119 119 LYS HG3 H 1 1.44 0.02 . 4 . . . . . . . . 4909 1 1030 . 1 1 119 119 LYS HD2 H 1 1.35 0.02 . 4 . . . . . . . . 4909 1 1031 . 1 1 119 119 LYS HE2 H 1 3.08 0.02 . 2 . . . . . . . . 4909 1 1032 . 1 1 119 119 LYS CA C 13 56.32 0.05 . 1 . . . . . . . . 4909 1 1033 . 1 1 119 119 LYS CB C 13 32.06 0.05 . 1 . . . . . . . . 4909 1 1034 . 1 1 120 120 LYS H H 1 7.12 0.02 . 1 . . . . . . . . 4909 1 1035 . 1 1 120 120 LYS HA H 1 4.53 0.02 . 1 . . . . . . . . 4909 1 1036 . 1 1 120 120 LYS HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4909 1 1037 . 1 1 120 120 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4909 1 1038 . 1 1 120 120 LYS HG2 H 1 1.60 0.02 . 4 . . . . . . . . 4909 1 1039 . 1 1 120 120 LYS HG3 H 1 1.41 0.02 . 4 . . . . . . . . 4909 1 1040 . 1 1 120 120 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 4909 1 1041 . 1 1 120 120 LYS HE3 H 1 3.08 0.02 . 2 . . . . . . . . 4909 1 1042 . 1 1 120 120 LYS CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 1043 . 1 1 120 120 LYS CB C 13 29.68 0.05 . 1 . . . . . . . . 4909 1 1044 . 1 1 120 120 LYS N N 15 121.30 0.05 . 1 . . . . . . . . 4909 1 1045 . 1 1 121 121 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 4909 1 1046 . 1 1 121 121 LEU HA H 1 3.60 0.02 . 1 . . . . . . . . 4909 1 1047 . 1 1 121 121 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 4909 1 1048 . 1 1 121 121 LEU HB3 H 1 1.40 0.02 . 2 . . . . . . . . 4909 1 1049 . 1 1 121 121 LEU HD11 H 1 0.36 0.02 . 2 . . . . . . . . 4909 1 1050 . 1 1 121 121 LEU HD12 H 1 0.36 0.02 . 2 . . . . . . . . 4909 1 1051 . 1 1 121 121 LEU HD13 H 1 0.36 0.02 . 2 . . . . . . . . 4909 1 1052 . 1 1 121 121 LEU CA C 13 57.74 0.05 . 1 . . . . . . . . 4909 1 1053 . 1 1 121 121 LEU CB C 13 40.15 0.05 . 1 . . . . . . . . 4909 1 1054 . 1 1 121 121 LEU N N 15 123.14 0.05 . 1 . . . . . . . . 4909 1 1055 . 1 1 122 122 ASN H H 1 8.45 0.02 . 1 . . . . . . . . 4909 1 1056 . 1 1 122 122 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 4909 1 1057 . 1 1 122 122 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4909 1 1058 . 1 1 122 122 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 4909 1 1059 . 1 1 122 122 ASN HD21 H 1 7.56 0.02 . 2 . . . . . . . . 4909 1 1060 . 1 1 122 122 ASN HD22 H 1 7.05 0.02 . 2 . . . . . . . . 4909 1 1061 . 1 1 122 122 ASN CA C 13 54.89 0.05 . 1 . . . . . . . . 4909 1 1062 . 1 1 122 122 ASN CB C 13 36.82 0.05 . 1 . . . . . . . . 4909 1 1063 . 1 1 122 122 ASN N N 15 113.20 0.05 . 1 . . . . . . . . 4909 1 1064 . 1 1 123 123 GLU H H 1 7.48 0.02 . 1 . . . . . . . . 4909 1 1065 . 1 1 123 123 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 4909 1 1066 . 1 1 123 123 GLU HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4909 1 1067 . 1 1 123 123 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4909 1 1068 . 1 1 123 123 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4909 1 1069 . 1 1 123 123 GLU CA C 13 55.84 0.05 . 1 . . . . . . . . 4909 1 1070 . 1 1 123 123 GLU CB C 13 30.16 0.05 . 1 . . . . . . . . 4909 1 1071 . 1 1 123 123 GLU N N 15 116.76 0.05 . 1 . . . . . . . . 4909 1 1072 . 1 1 124 124 ILE H H 1 7.72 0.02 . 1 . . . . . . . . 4909 1 1073 . 1 1 124 124 ILE HA H 1 4.50 0.02 . 1 . . . . . . . . 4909 1 1074 . 1 1 124 124 ILE HB H 1 2.37 0.02 . 1 . . . . . . . . 4909 1 1075 . 1 1 124 124 ILE HG12 H 1 1.17 0.02 . 2 . . . . . . . . 4909 1 1076 . 1 1 124 124 ILE HG21 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 1077 . 1 1 124 124 ILE HG22 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 1078 . 1 1 124 124 ILE HG23 H 1 1.01 0.02 . 4 . . . . . . . . 4909 1 1079 . 1 1 124 124 ILE CA C 13 61.07 0.05 . 1 . . . . . . . . 4909 1 1080 . 1 1 124 124 ILE CB C 13 36.34 0.05 . 1 . . . . . . . . 4909 1 1081 . 1 1 124 124 ILE N N 15 122.49 0.05 . 1 . . . . . . . . 4909 1 1082 . 1 1 125 125 SER H H 1 7.78 0.02 . 1 . . . . . . . . 4909 1 1083 . 1 1 125 125 SER HA H 1 4.99 0.02 . 1 . . . . . . . . 4909 1 1084 . 1 1 125 125 SER HB2 H 1 4.24 0.02 . 2 . . . . . . . . 4909 1 1085 . 1 1 125 125 SER HB3 H 1 3.74 0.02 . 2 . . . . . . . . 4909 1 1086 . 1 1 125 125 SER CA C 13 58.22 0.05 . 1 . . . . . . . . 4909 1 1087 . 1 1 125 125 SER CB C 13 64.88 0.05 . 1 . . . . . . . . 4909 1 1088 . 1 1 125 125 SER N N 15 116.70 0.05 . 1 . . . . . . . . 4909 1 1089 . 1 1 126 126 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 4909 1 1090 . 1 1 126 126 LYS HA H 1 4.89 0.02 . 1 . . . . . . . . 4909 1 1091 . 1 1 126 126 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4909 1 1092 . 1 1 126 126 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4909 1 1093 . 1 1 126 126 LYS HG2 H 1 1.29 0.02 . 4 . . . . . . . . 4909 1 1094 . 1 1 126 126 LYS HD2 H 1 1.56 0.02 . 4 . . . . . . . . 4909 1 1095 . 1 1 126 126 LYS HE2 H 1 2.89 0.02 . 2 . . . . . . . . 4909 1 1096 . 1 1 126 126 LYS CA C 13 55.84 0.05 . 1 . . . . . . . . 4909 1 1097 . 1 1 126 126 LYS CB C 13 36.34 0.05 . 1 . . . . . . . . 4909 1 1098 . 1 1 126 126 LYS N N 15 121.13 0.05 . 1 . . . . . . . . 4909 1 1099 . 1 1 127 127 LEU H H 1 8.65 0.02 . 1 . . . . . . . . 4909 1 1100 . 1 1 127 127 LEU HA H 1 4.93 0.02 . 1 . . . . . . . . 4909 1 1101 . 1 1 127 127 LEU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4909 1 1102 . 1 1 127 127 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 4909 1 1103 . 1 1 127 127 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 1104 . 1 1 127 127 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 1105 . 1 1 127 127 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 4909 1 1106 . 1 1 127 127 LEU HD21 H 1 0.65 0.02 . 2 . . . . . . . . 4909 1 1107 . 1 1 127 127 LEU HD22 H 1 0.65 0.02 . 2 . . . . . . . . 4909 1 1108 . 1 1 127 127 LEU HD23 H 1 0.65 0.02 . 2 . . . . . . . . 4909 1 1109 . 1 1 127 127 LEU CA C 13 52.51 0.05 . 1 . . . . . . . . 4909 1 1110 . 1 1 127 127 LEU CB C 13 43.48 0.05 . 1 . . . . . . . . 4909 1 1111 . 1 1 127 127 LEU N N 15 125.04 0.05 . 1 . . . . . . . . 4909 1 1112 . 1 1 128 128 GLY H H 1 9.35 0.02 . 1 . . . . . . . . 4909 1 1113 . 1 1 128 128 GLY HA2 H 1 5.13 0.02 . 2 . . . . . . . . 4909 1 1114 . 1 1 128 128 GLY HA3 H 1 3.56 0.02 . 2 . . . . . . . . 4909 1 1115 . 1 1 128 128 GLY CA C 13 44.90 0.05 . 1 . . . . . . . . 4909 1 1116 . 1 1 128 128 GLY N N 15 114.83 0.05 . 1 . . . . . . . . 4909 1 1117 . 1 1 129 129 ILE H H 1 9.39 0.02 . 1 . . . . . . . . 4909 1 1118 . 1 1 129 129 ILE HA H 1 4.85 0.02 . 1 . . . . . . . . 4909 1 1119 . 1 1 129 129 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4909 1 1120 . 1 1 129 129 ILE HG12 H 1 1.70 0.02 . 2 . . . . . . . . 4909 1 1121 . 1 1 129 129 ILE HG21 H 1 0.97 0.02 . 4 . . . . . . . . 4909 1 1122 . 1 1 129 129 ILE HG22 H 1 0.97 0.02 . 4 . . . . . . . . 4909 1 1123 . 1 1 129 129 ILE HG23 H 1 0.97 0.02 . 4 . . . . . . . . 4909 1 1124 . 1 1 129 129 ILE HD11 H 1 0.88 0.02 . 4 . . . . . . . . 4909 1 1125 . 1 1 129 129 ILE HD12 H 1 0.88 0.02 . 4 . . . . . . . . 4909 1 1126 . 1 1 129 129 ILE HD13 H 1 0.88 0.02 . 4 . . . . . . . . 4909 1 1127 . 1 1 129 129 ILE CA C 13 61.12 0.05 . 1 . . . . . . . . 4909 1 1128 . 1 1 129 129 ILE CB C 13 40.15 0.05 . 1 . . . . . . . . 4909 1 1129 . 1 1 129 129 ILE N N 15 127.66 0.05 . 1 . . . . . . . . 4909 1 1130 . 1 1 130 130 SER H H 1 9.41 0.02 . 1 . . . . . . . . 4909 1 1131 . 1 1 130 130 SER HA H 1 4.85 0.02 . 1 . . . . . . . . 4909 1 1132 . 1 1 130 130 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 4909 1 1133 . 1 1 130 130 SER HB3 H 1 3.97 0.02 . 2 . . . . . . . . 4909 1 1134 . 1 1 130 130 SER CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 1135 . 1 1 130 130 SER CB C 13 66.30 0.05 . 1 . . . . . . . . 4909 1 1136 . 1 1 130 130 SER N N 15 120.70 0.05 . 1 . . . . . . . . 4909 1 1137 . 1 1 131 131 GLY H H 1 8.84 0.02 . 1 . . . . . . . . 4909 1 1138 . 1 1 131 131 GLY HA2 H 1 4.61 0.02 . 2 . . . . . . . . 4909 1 1139 . 1 1 131 131 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 4909 1 1140 . 1 1 131 131 GLY CA C 13 43.00 0.05 . 1 . . . . . . . . 4909 1 1141 . 1 1 131 131 GLY N N 15 106.01 0.05 . 1 . . . . . . . . 4909 1 1142 . 1 1 132 132 ASP H H 1 8.63 0.02 . 1 . . . . . . . . 4909 1 1143 . 1 1 132 132 ASP HA H 1 4.80 0.02 . 1 . . . . . . . . 4909 1 1144 . 1 1 132 132 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 4909 1 1145 . 1 1 132 132 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 4909 1 1146 . 1 1 132 132 ASP CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 1147 . 1 1 132 132 ASP CB C 13 40.62 0.05 . 1 . . . . . . . . 4909 1 1148 . 1 1 132 132 ASP N N 15 122.15 0.05 . 1 . . . . . . . . 4909 1 1149 . 1 1 133 133 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 4909 1 1150 . 1 1 133 133 ILE HA H 1 5.17 0.02 . 1 . . . . . . . . 4909 1 1151 . 1 1 133 133 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 4909 1 1152 . 1 1 133 133 ILE HG12 H 1 1.15 0.02 . 2 . . . . . . . . 4909 1 1153 . 1 1 133 133 ILE HG21 H 1 0.81 0.02 . 4 . . . . . . . . 4909 1 1154 . 1 1 133 133 ILE HG22 H 1 0.81 0.02 . 4 . . . . . . . . 4909 1 1155 . 1 1 133 133 ILE HG23 H 1 0.81 0.02 . 4 . . . . . . . . 4909 1 1156 . 1 1 133 133 ILE HD11 H 1 0.72 0.02 . 4 . . . . . . . . 4909 1 1157 . 1 1 133 133 ILE HD12 H 1 0.72 0.02 . 4 . . . . . . . . 4909 1 1158 . 1 1 133 133 ILE HD13 H 1 0.72 0.02 . 4 . . . . . . . . 4909 1 1159 . 1 1 133 133 ILE CA C 13 58.22 0.05 . 1 . . . . . . . . 4909 1 1160 . 1 1 133 133 ILE CB C 13 42.05 0.05 . 1 . . . . . . . . 4909 1 1161 . 1 1 133 133 ILE N N 15 112.17 0.05 . 1 . . . . . . . . 4909 1 1162 . 1 1 134 134 ASP H H 1 8.93 0.02 . 1 . . . . . . . . 4909 1 1163 . 1 1 134 134 ASP HA H 1 5.00 0.02 . 1 . . . . . . . . 4909 1 1164 . 1 1 134 134 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4909 1 1165 . 1 1 134 134 ASP HB3 H 1 2.46 0.02 . 2 . . . . . . . . 4909 1 1166 . 1 1 134 134 ASP CA C 13 53.46 0.05 . 1 . . . . . . . . 4909 1 1167 . 1 1 134 134 ASP CB C 13 42.05 0.05 . 1 . . . . . . . . 4909 1 1168 . 1 1 134 134 ASP N N 15 121.27 0.05 . 1 . . . . . . . . 4909 1 1169 . 1 1 135 135 LEU H H 1 9.15 0.02 . 1 . . . . . . . . 4909 1 1170 . 1 1 135 135 LEU HA H 1 4.56 0.02 . 1 . . . . . . . . 4909 1 1171 . 1 1 135 135 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4909 1 1172 . 1 1 135 135 LEU HB3 H 1 1.12 0.02 . 2 . . . . . . . . 4909 1 1173 . 1 1 135 135 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . 4909 1 1174 . 1 1 135 135 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 4909 1 1175 . 1 1 135 135 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 4909 1 1176 . 1 1 135 135 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 4909 1 1177 . 1 1 135 135 LEU CA C 13 53.94 0.05 . 1 . . . . . . . . 4909 1 1178 . 1 1 135 135 LEU CB C 13 44.90 0.05 . 1 . . . . . . . . 4909 1 1179 . 1 1 135 135 LEU N N 15 126.15 0.05 . 1 . . . . . . . . 4909 1 1180 . 1 1 136 136 THR H H 1 9.08 0.02 . 1 . . . . . . . . 4909 1 1181 . 1 1 136 136 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 4909 1 1182 . 1 1 136 136 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 4909 1 1183 . 1 1 136 136 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4909 1 1184 . 1 1 136 136 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4909 1 1185 . 1 1 136 136 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4909 1 1186 . 1 1 136 136 THR CA C 13 62.98 0.05 . 1 . . . . . . . . 4909 1 1187 . 1 1 136 136 THR CB C 13 68.68 0.05 . 1 . . . . . . . . 4909 1 1188 . 1 1 136 136 THR N N 15 120.26 0.05 . 1 . . . . . . . . 4909 1 1189 . 1 1 137 137 SER H H 1 7.79 0.02 . 1 . . . . . . . . 4909 1 1190 . 1 1 137 137 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 4909 1 1191 . 1 1 137 137 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 4909 1 1192 . 1 1 137 137 SER HB3 H 1 3.59 0.02 . 2 . . . . . . . . 4909 1 1193 . 1 1 137 137 SER CA C 13 57.74 0.05 . 1 . . . . . . . . 4909 1 1194 . 1 1 137 137 SER CB C 13 63.93 0.05 . 1 . . . . . . . . 4909 1 1195 . 1 1 137 137 SER N N 15 112.75 0.05 . 1 . . . . . . . . 4909 1 1196 . 1 1 138 138 ALA H H 1 8.42 0.05 . 1 . . . . . . . . 4909 1 1197 . 1 1 138 138 ALA HA H 1 5.29 0.05 . 1 . . . . . . . . 4909 1 1198 . 1 1 138 138 ALA HB1 H 1 1.30 0.05 . 1 . . . . . . . . 4909 1 1199 . 1 1 138 138 ALA HB2 H 1 1.30 0.05 . 1 . . . . . . . . 4909 1 1200 . 1 1 138 138 ALA HB3 H 1 1.30 0.05 . 1 . . . . . . . . 4909 1 1201 . 1 1 138 138 ALA CA C 13 51.53 0.05 . 1 . . . . . . . . 4909 1 1202 . 1 1 138 138 ALA CB C 13 21.44 0.05 . 1 . . . . . . . . 4909 1 1203 . 1 1 138 138 ALA N N 15 126.66 0.05 . 1 . . . . . . . . 4909 1 1204 . 1 1 139 139 SER H H 1 8.63 0.02 . 1 . . . . . . . . 4909 1 1205 . 1 1 139 139 SER HA H 1 4.89 0.02 . 1 . . . . . . . . 4909 1 1206 . 1 1 139 139 SER HB2 H 1 4.02 0.02 . 2 . . . . . . . . 4909 1 1207 . 1 1 139 139 SER HB3 H 1 4.00 0.02 . 2 . . . . . . . . 4909 1 1208 . 1 1 139 139 SER CA C 13 57.27 0.05 . 1 . . . . . . . . 4909 1 1209 . 1 1 139 139 SER CB C 13 65.35 0.05 . 1 . . . . . . . . 4909 1 1210 . 1 1 139 139 SER N N 15 115.63 0.05 . 1 . . . . . . . . 4909 1 1211 . 1 1 140 140 TYR H H 1 8.36 0.02 . 1 . . . . . . . . 4909 1 1212 . 1 1 140 140 TYR HA H 1 4.97 0.02 . 1 . . . . . . . . 4909 1 1213 . 1 1 140 140 TYR HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4909 1 1214 . 1 1 140 140 TYR HB3 H 1 2.91 0.02 . 2 . . . . . . . . 4909 1 1215 . 1 1 140 140 TYR CA C 13 55.37 0.05 . 1 . . . . . . . . 4909 1 1216 . 1 1 140 140 TYR CB C 13 43.00 0.05 . 1 . . . . . . . . 4909 1 1217 . 1 1 140 140 TYR N N 15 115.46 0.05 . 1 . . . . . . . . 4909 1 1218 . 1 1 141 141 THR H H 1 8.92 0.02 . 1 . . . . . . . . 4909 1 1219 . 1 1 141 141 THR HA H 1 4.67 0.02 . 1 . . . . . . . . 4909 1 1220 . 1 1 141 141 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 4909 1 1221 . 1 1 141 141 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4909 1 1222 . 1 1 141 141 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4909 1 1223 . 1 1 141 141 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4909 1 1224 . 1 1 141 141 THR CA C 13 59.17 0.05 . 1 . . . . . . . . 4909 1 1225 . 1 1 141 141 THR CB C 13 70.59 0.05 . 1 . . . . . . . . 4909 1 1226 . 1 1 141 141 THR N N 15 115.37 0.05 . 1 . . . . . . . . 4909 1 1227 . 1 1 142 142 MET H H 1 8.17 0.02 . 1 . . . . . . . . 4909 1 1228 . 1 1 142 142 MET HA H 1 5.55 0.02 . 1 . . . . . . . . 4909 1 1229 . 1 1 142 142 MET HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4909 1 1230 . 1 1 142 142 MET HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4909 1 1231 . 1 1 142 142 MET CA C 13 52.99 0.05 . 1 . . . . . . . . 4909 1 1232 . 1 1 142 142 MET CB C 13 32.06 0.05 . 1 . . . . . . . . 4909 1 1233 . 1 1 142 142 MET N N 15 121.22 0.05 . 1 . . . . . . . . 4909 1 1234 . 1 1 143 143 ILE H H 1 8.65 0.02 . 1 . . . . . . . . 4909 1 1235 . 1 1 143 143 ILE CA C 13 39.67 0.05 . 1 . . . . . . . . 4909 1 stop_ save_