data_17279 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17279 _Entry.Title ; Solution NMR structure of protein lipocalin 12 from rat epididymis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-03 _Entry.Accession_date 2010-11-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Yu Peng . . . 17279 2 Donghai Lin . . . 17279 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17279 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta barrel' . 17279 lipocalin . 17279 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17279 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 728 17279 '15N chemical shifts' 182 17279 '1H chemical shifts' 1098 17279 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-06-24 2010-11-03 update BMRB 'update entry citation' 17279 1 . . 2011-05-05 2010-11-03 original author 'original release' 17279 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5P 'BMRB Entry Tracking System' 17279 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17279 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21538546 _Citation.Full_citation . _Citation.Title 'Solution structure of the protein lipocalin 12 from rat epididymis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 7 _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 2316 _Citation.Page_last 2320 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yu Peng . . . 17279 1 2 Xu Zhang . . . 17279 1 3 Jiafu Liu . . . 17279 1 4 Qiang Liu . . . 17279 1 5 Chenyun Guo . . . 17279 1 6 Yonglian Zhang . . . 17279 1 7 Donghai Lin . . . 17279 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17279 _Assembly.ID 1 _Assembly.Name 'rat epididymal lipocalin 12' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'rat epididymal lipocalin 12' 1 $rat_epididymal_lipocalin_12 A . yes native no no . . . 17279 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 71 71 SG . 1 . 1 CYS 176 176 SG . . 98 CYS SG . . 203 CYS SG 17279 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rat_epididymal_lipocalin_12 _Entity.Sf_category entity _Entity.Sf_framecode rat_epididymal_lipocalin_12 _Entity.Entry_ID 17279 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rat_epididymal_lipocalin_12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGQSPTMPQGFSQMTSFQSN KFQGEWFVLGLADNTYKREH RPLLHSFITLFKLRDNSEFQ VTNSMTRGKHCSTWSYTLIP TNKPGQFTRDNRGSGPGADK ENIQVIETDYVKFALVLSLR QASNQNITRVSLLGRDWKIT HKTIDRFIALTKTQNLTKNN LLFPDLTDWLLDPKVCLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C176A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20124.996 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L5P . "Solution Nmr Structure Of Protein Lipocalin 12 From Rat Epididymis" . . . . . 100.00 184 100.00 100.00 1.15e-133 . . . . 17279 1 2 no GB ABG24235 . "lipocalin 12 [Rattus norvegicus]" . . . . . 95.11 203 99.43 99.43 3.63e-124 . . . . 17279 1 3 no GB EDL93574 . "rCG45402 [Rattus norvegicus]" . . . . . 79.89 184 98.64 99.32 3.29e-101 . . . . 17279 1 4 no REF NP_001121610 . "epididymal-specific lipocalin-12 [Rattus norvegicus]" . . . . . 79.89 184 98.64 99.32 3.29e-101 . . . . 17279 1 5 no SP B3EY83 . "RecName: Full=Epididymal-specific lipocalin-12; Flags: Precursor" . . . . . 95.11 193 99.43 99.43 5.16e-124 . . . . 17279 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 28 MET . 17279 1 2 29 GLY . 17279 1 3 30 GLN . 17279 1 4 31 SER . 17279 1 5 32 PRO . 17279 1 6 33 THR . 17279 1 7 34 MET . 17279 1 8 35 PRO . 17279 1 9 36 GLN . 17279 1 10 37 GLY . 17279 1 11 38 PHE . 17279 1 12 39 SER . 17279 1 13 40 GLN . 17279 1 14 41 MET . 17279 1 15 42 THR . 17279 1 16 43 SER . 17279 1 17 44 PHE . 17279 1 18 45 GLN . 17279 1 19 46 SER . 17279 1 20 47 ASN . 17279 1 21 48 LYS . 17279 1 22 49 PHE . 17279 1 23 50 GLN . 17279 1 24 51 GLY . 17279 1 25 52 GLU . 17279 1 26 53 TRP . 17279 1 27 54 PHE . 17279 1 28 55 VAL . 17279 1 29 56 LEU . 17279 1 30 57 GLY . 17279 1 31 58 LEU . 17279 1 32 59 ALA . 17279 1 33 60 ASP . 17279 1 34 61 ASN . 17279 1 35 62 THR . 17279 1 36 63 TYR . 17279 1 37 64 LYS . 17279 1 38 65 ARG . 17279 1 39 66 GLU . 17279 1 40 67 HIS . 17279 1 41 68 ARG . 17279 1 42 69 PRO . 17279 1 43 70 LEU . 17279 1 44 71 LEU . 17279 1 45 72 HIS . 17279 1 46 73 SER . 17279 1 47 74 PHE . 17279 1 48 75 ILE . 17279 1 49 76 THR . 17279 1 50 77 LEU . 17279 1 51 78 PHE . 17279 1 52 79 LYS . 17279 1 53 80 LEU . 17279 1 54 81 ARG . 17279 1 55 82 ASP . 17279 1 56 83 ASN . 17279 1 57 84 SER . 17279 1 58 85 GLU . 17279 1 59 86 PHE . 17279 1 60 87 GLN . 17279 1 61 88 VAL . 17279 1 62 89 THR . 17279 1 63 90 ASN . 17279 1 64 91 SER . 17279 1 65 92 MET . 17279 1 66 93 THR . 17279 1 67 94 ARG . 17279 1 68 95 GLY . 17279 1 69 96 LYS . 17279 1 70 97 HIS . 17279 1 71 98 CYS . 17279 1 72 99 SER . 17279 1 73 100 THR . 17279 1 74 101 TRP . 17279 1 75 102 SER . 17279 1 76 103 TYR . 17279 1 77 104 THR . 17279 1 78 105 LEU . 17279 1 79 106 ILE . 17279 1 80 107 PRO . 17279 1 81 108 THR . 17279 1 82 109 ASN . 17279 1 83 110 LYS . 17279 1 84 111 PRO . 17279 1 85 112 GLY . 17279 1 86 113 GLN . 17279 1 87 114 PHE . 17279 1 88 115 THR . 17279 1 89 116 ARG . 17279 1 90 117 ASP . 17279 1 91 118 ASN . 17279 1 92 119 ARG . 17279 1 93 120 GLY . 17279 1 94 121 SER . 17279 1 95 122 GLY . 17279 1 96 123 PRO . 17279 1 97 124 GLY . 17279 1 98 125 ALA . 17279 1 99 126 ASP . 17279 1 100 127 LYS . 17279 1 101 128 GLU . 17279 1 102 129 ASN . 17279 1 103 130 ILE . 17279 1 104 131 GLN . 17279 1 105 132 VAL . 17279 1 106 133 ILE . 17279 1 107 134 GLU . 17279 1 108 135 THR . 17279 1 109 136 ASP . 17279 1 110 137 TYR . 17279 1 111 138 VAL . 17279 1 112 139 LYS . 17279 1 113 140 PHE . 17279 1 114 141 ALA . 17279 1 115 142 LEU . 17279 1 116 143 VAL . 17279 1 117 144 LEU . 17279 1 118 145 SER . 17279 1 119 146 LEU . 17279 1 120 147 ARG . 17279 1 121 148 GLN . 17279 1 122 149 ALA . 17279 1 123 150 SER . 17279 1 124 151 ASN . 17279 1 125 152 GLN . 17279 1 126 153 ASN . 17279 1 127 154 ILE . 17279 1 128 155 THR . 17279 1 129 156 ARG . 17279 1 130 157 VAL . 17279 1 131 158 SER . 17279 1 132 159 LEU . 17279 1 133 160 LEU . 17279 1 134 161 GLY . 17279 1 135 162 ARG . 17279 1 136 163 ASP . 17279 1 137 164 TRP . 17279 1 138 165 LYS . 17279 1 139 166 ILE . 17279 1 140 167 THR . 17279 1 141 168 HIS . 17279 1 142 169 LYS . 17279 1 143 170 THR . 17279 1 144 171 ILE . 17279 1 145 172 ASP . 17279 1 146 173 ARG . 17279 1 147 174 PHE . 17279 1 148 175 ILE . 17279 1 149 176 ALA . 17279 1 150 177 LEU . 17279 1 151 178 THR . 17279 1 152 179 LYS . 17279 1 153 180 THR . 17279 1 154 181 GLN . 17279 1 155 182 ASN . 17279 1 156 183 LEU . 17279 1 157 184 THR . 17279 1 158 185 LYS . 17279 1 159 186 ASN . 17279 1 160 187 ASN . 17279 1 161 188 LEU . 17279 1 162 189 LEU . 17279 1 163 190 PHE . 17279 1 164 191 PRO . 17279 1 165 192 ASP . 17279 1 166 193 LEU . 17279 1 167 194 THR . 17279 1 168 195 ASP . 17279 1 169 196 TRP . 17279 1 170 197 LEU . 17279 1 171 198 LEU . 17279 1 172 199 ASP . 17279 1 173 200 PRO . 17279 1 174 201 LYS . 17279 1 175 202 VAL . 17279 1 176 203 CYS . 17279 1 177 204 LEU . 17279 1 178 205 GLU . 17279 1 179 206 HIS . 17279 1 180 207 HIS . 17279 1 181 208 HIS . 17279 1 182 209 HIS . 17279 1 183 210 HIS . 17279 1 184 211 HIS . 17279 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17279 1 . GLY 2 2 17279 1 . GLN 3 3 17279 1 . SER 4 4 17279 1 . PRO 5 5 17279 1 . THR 6 6 17279 1 . MET 7 7 17279 1 . PRO 8 8 17279 1 . GLN 9 9 17279 1 . GLY 10 10 17279 1 . PHE 11 11 17279 1 . SER 12 12 17279 1 . GLN 13 13 17279 1 . MET 14 14 17279 1 . THR 15 15 17279 1 . SER 16 16 17279 1 . PHE 17 17 17279 1 . GLN 18 18 17279 1 . SER 19 19 17279 1 . ASN 20 20 17279 1 . LYS 21 21 17279 1 . PHE 22 22 17279 1 . GLN 23 23 17279 1 . GLY 24 24 17279 1 . GLU 25 25 17279 1 . TRP 26 26 17279 1 . PHE 27 27 17279 1 . VAL 28 28 17279 1 . LEU 29 29 17279 1 . GLY 30 30 17279 1 . LEU 31 31 17279 1 . ALA 32 32 17279 1 . ASP 33 33 17279 1 . ASN 34 34 17279 1 . THR 35 35 17279 1 . TYR 36 36 17279 1 . LYS 37 37 17279 1 . ARG 38 38 17279 1 . GLU 39 39 17279 1 . HIS 40 40 17279 1 . ARG 41 41 17279 1 . PRO 42 42 17279 1 . LEU 43 43 17279 1 . LEU 44 44 17279 1 . HIS 45 45 17279 1 . SER 46 46 17279 1 . PHE 47 47 17279 1 . ILE 48 48 17279 1 . THR 49 49 17279 1 . LEU 50 50 17279 1 . PHE 51 51 17279 1 . LYS 52 52 17279 1 . LEU 53 53 17279 1 . ARG 54 54 17279 1 . ASP 55 55 17279 1 . ASN 56 56 17279 1 . SER 57 57 17279 1 . GLU 58 58 17279 1 . PHE 59 59 17279 1 . GLN 60 60 17279 1 . VAL 61 61 17279 1 . THR 62 62 17279 1 . ASN 63 63 17279 1 . SER 64 64 17279 1 . MET 65 65 17279 1 . THR 66 66 17279 1 . ARG 67 67 17279 1 . GLY 68 68 17279 1 . LYS 69 69 17279 1 . HIS 70 70 17279 1 . CYS 71 71 17279 1 . SER 72 72 17279 1 . THR 73 73 17279 1 . TRP 74 74 17279 1 . SER 75 75 17279 1 . TYR 76 76 17279 1 . THR 77 77 17279 1 . LEU 78 78 17279 1 . ILE 79 79 17279 1 . PRO 80 80 17279 1 . THR 81 81 17279 1 . ASN 82 82 17279 1 . LYS 83 83 17279 1 . PRO 84 84 17279 1 . GLY 85 85 17279 1 . GLN 86 86 17279 1 . PHE 87 87 17279 1 . THR 88 88 17279 1 . ARG 89 89 17279 1 . ASP 90 90 17279 1 . ASN 91 91 17279 1 . ARG 92 92 17279 1 . GLY 93 93 17279 1 . SER 94 94 17279 1 . GLY 95 95 17279 1 . PRO 96 96 17279 1 . GLY 97 97 17279 1 . ALA 98 98 17279 1 . ASP 99 99 17279 1 . LYS 100 100 17279 1 . GLU 101 101 17279 1 . ASN 102 102 17279 1 . ILE 103 103 17279 1 . GLN 104 104 17279 1 . VAL 105 105 17279 1 . ILE 106 106 17279 1 . GLU 107 107 17279 1 . THR 108 108 17279 1 . ASP 109 109 17279 1 . TYR 110 110 17279 1 . VAL 111 111 17279 1 . LYS 112 112 17279 1 . PHE 113 113 17279 1 . ALA 114 114 17279 1 . LEU 115 115 17279 1 . VAL 116 116 17279 1 . LEU 117 117 17279 1 . SER 118 118 17279 1 . LEU 119 119 17279 1 . ARG 120 120 17279 1 . GLN 121 121 17279 1 . ALA 122 122 17279 1 . SER 123 123 17279 1 . ASN 124 124 17279 1 . GLN 125 125 17279 1 . ASN 126 126 17279 1 . ILE 127 127 17279 1 . THR 128 128 17279 1 . ARG 129 129 17279 1 . VAL 130 130 17279 1 . SER 131 131 17279 1 . LEU 132 132 17279 1 . LEU 133 133 17279 1 . GLY 134 134 17279 1 . ARG 135 135 17279 1 . ASP 136 136 17279 1 . TRP 137 137 17279 1 . LYS 138 138 17279 1 . ILE 139 139 17279 1 . THR 140 140 17279 1 . HIS 141 141 17279 1 . LYS 142 142 17279 1 . THR 143 143 17279 1 . ILE 144 144 17279 1 . ASP 145 145 17279 1 . ARG 146 146 17279 1 . PHE 147 147 17279 1 . ILE 148 148 17279 1 . ALA 149 149 17279 1 . LEU 150 150 17279 1 . THR 151 151 17279 1 . LYS 152 152 17279 1 . THR 153 153 17279 1 . GLN 154 154 17279 1 . ASN 155 155 17279 1 . LEU 156 156 17279 1 . THR 157 157 17279 1 . LYS 158 158 17279 1 . ASN 159 159 17279 1 . ASN 160 160 17279 1 . LEU 161 161 17279 1 . LEU 162 162 17279 1 . PHE 163 163 17279 1 . PRO 164 164 17279 1 . ASP 165 165 17279 1 . LEU 166 166 17279 1 . THR 167 167 17279 1 . ASP 168 168 17279 1 . TRP 169 169 17279 1 . LEU 170 170 17279 1 . LEU 171 171 17279 1 . ASP 172 172 17279 1 . PRO 173 173 17279 1 . LYS 174 174 17279 1 . VAL 175 175 17279 1 . CYS 176 176 17279 1 . LEU 177 177 17279 1 . GLU 178 178 17279 1 . HIS 179 179 17279 1 . HIS 180 180 17279 1 . HIS 181 181 17279 1 . HIS 182 182 17279 1 . HIS 183 183 17279 1 . HIS 184 184 17279 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17279 _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 $rat_epididymal_lipocalin_12 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 17279 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 17279 _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 $rat_epididymal_lipocalin_12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . . . . 17279 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 17279 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20MM NaAC;0.5MM EDTA; 90% H2O, 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rLcn12 '[U-100% 13C; U-100% 15N]' . . 1 $rat_epididymal_lipocalin_12 . . 0.5 . . mM . . . . 17279 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17279 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17279 1 4 NaAC 'natural abundance' . . . . . . 20 . . MM . . . . 17279 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . MM . . . . 17279 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17279 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 17279 1 pH 4.5 . pH 17279 1 pressure 1 . Pa 17279 1 temperature 310 . K 17279 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17279 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17279 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17279 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17279 _Software.ID 2 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17279 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17279 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17279 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Advance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17279 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Advance III' . 800 . . . 17279 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 17279 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 6 '4D 1H-15N NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 7 '4D 1H-13C NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 8 '3D MQ-CCH-TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17279 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17279 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17279 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17279 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17279 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17279 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17279 1 3 '3D CBCA(CO)NH' . . . 17279 1 4 '3D HNCACB' . . . 17279 1 5 '3D HNCO' . . . 17279 1 6 '4D 1H-15N NOESY' . . . 17279 1 7 '4D 1H-13C NOESY' . . . 17279 1 8 '3D MQ-CCH-TOCSY' . . . 17279 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 GLY H H 1 8.516 0.001 . 1 . . . . 29 G H . 17279 1 2 . 1 1 2 2 GLY HA2 H 1 3.931 0.011 . 2 . . . . 29 G HA2 . 17279 1 3 . 1 1 2 2 GLY C C 13 169.928 0.003 . 1 . . . . 29 G C . 17279 1 4 . 1 1 2 2 GLY CA C 13 43.615 0.033 . 1 . . . . 29 G CA . 17279 1 5 . 1 1 2 2 GLY N N 15 120.400 0.003 . 1 . . . . 29 G N . 17279 1 6 . 1 1 3 3 GLN H H 1 8.590 0.003 . 1 . . . . 30 Q H . 17279 1 7 . 1 1 3 3 GLN HA H 1 4.428 0.003 . 1 . . . . 30 Q HA . 17279 1 8 . 1 1 3 3 GLN HB2 H 1 2.072 0.003 . 2 . . . . 30 Q HB2 . 17279 1 9 . 1 1 3 3 GLN C C 13 174.897 0.003 . 1 . . . . 30 Q C . 17279 1 10 . 1 1 3 3 GLN CA C 13 56.150 0.060 . 1 . . . . 30 Q CA . 17279 1 11 . 1 1 3 3 GLN CB C 13 30.121 0.009 . 1 . . . . 30 Q CB . 17279 1 12 . 1 1 3 3 GLN N N 15 119.856 0.026 . 1 . . . . 30 Q N . 17279 1 13 . 1 1 4 4 SER H H 1 8.146 0.002 . 1 . . . . 31 S H . 17279 1 14 . 1 1 4 4 SER HB2 H 1 3.804 0.001 . 2 . . . . 31 S HB2 . 17279 1 15 . 1 1 4 4 SER CA C 13 58.803 0.062 . 1 . . . . 31 S CA . 17279 1 16 . 1 1 4 4 SER CB C 13 64.540 0.075 . 1 . . . . 31 S CB . 17279 1 17 . 1 1 4 4 SER N N 15 117.336 0.011 . 1 . . . . 31 S N . 17279 1 18 . 1 1 5 5 PRO HA H 1 4.558 0.003 . 1 . . . . 32 P HA . 17279 1 19 . 1 1 5 5 PRO HB2 H 1 2.331 0.003 . 2 . . . . 32 P HB2 . 17279 1 20 . 1 1 5 5 PRO HB3 H 1 1.996 0.003 . 2 . . . . 32 P HB3 . 17279 1 21 . 1 1 5 5 PRO HG2 H 1 2.067 0.005 . 2 . . . . 32 P HG2 . 17279 1 22 . 1 1 5 5 PRO HD2 H 1 3.785 0.012 . 2 . . . . 32 P HD2 . 17279 1 23 . 1 1 5 5 PRO C C 13 176.875 0.003 . 1 . . . . 32 P C . 17279 1 24 . 1 1 5 5 PRO CA C 13 63.624 0.040 . 1 . . . . 32 P CA . 17279 1 25 . 1 1 5 5 PRO CB C 13 32.393 0.026 . 1 . . . . 32 P CB . 17279 1 26 . 1 1 5 5 PRO CG C 13 27.589 0.032 . 1 . . . . 32 P CG . 17279 1 27 . 1 1 5 5 PRO CD C 13 51.108 0.022 . 1 . . . . 32 P CD . 17279 1 28 . 1 1 6 6 THR H H 1 8.136 0.004 . 1 . . . . 33 T H . 17279 1 29 . 1 1 6 6 THR HA H 1 4.332 0.023 . 1 . . . . 33 T HA . 17279 1 30 . 1 1 6 6 THR HB H 1 4.227 0.016 . 1 . . . . 33 T HB . 17279 1 31 . 1 1 6 6 THR HG21 H 1 1.229 0.019 . 1 . . . . 33 T HG21 . 17279 1 32 . 1 1 6 6 THR HG22 H 1 1.229 0.019 . 1 . . . . 33 T HG21 . 17279 1 33 . 1 1 6 6 THR HG23 H 1 1.229 0.019 . 1 . . . . 33 T HG21 . 17279 1 34 . 1 1 6 6 THR C C 13 174.330 0.003 . 1 . . . . 33 T C . 17279 1 35 . 1 1 6 6 THR CA C 13 62.077 0.061 . 1 . . . . 33 T CA . 17279 1 36 . 1 1 6 6 THR CB C 13 70.070 0.049 . 1 . . . . 33 T CB . 17279 1 37 . 1 1 6 6 THR CG2 C 13 22.043 0.029 . 1 . . . . 33 T CG2 . 17279 1 38 . 1 1 6 6 THR N N 15 114.274 0.016 . 1 . . . . 33 T N . 17279 1 39 . 1 1 7 7 MET H H 1 8.150 0.003 . 1 . . . . 34 M H . 17279 1 40 . 1 1 7 7 MET HA H 1 4.895 0.010 . 1 . . . . 34 M HA . 17279 1 41 . 1 1 7 7 MET HB2 H 1 2.088 0.003 . 2 . . . . 34 M HB2 . 17279 1 42 . 1 1 7 7 MET HB3 H 1 2.021 0.012 . 2 . . . . 34 M HB3 . 17279 1 43 . 1 1 7 7 MET HG2 H 1 2.607 0.019 . 2 . . . . 34 M HG2 . 17279 1 44 . 1 1 7 7 MET HE1 H 1 2.090 0.013 . 1 . . . . 34 M HE1 . 17279 1 45 . 1 1 7 7 MET HE2 H 1 2.090 0.013 . 1 . . . . 34 M HE1 . 17279 1 46 . 1 1 7 7 MET HE3 H 1 2.090 0.013 . 1 . . . . 34 M HE1 . 17279 1 47 . 1 1 7 7 MET CA C 13 53.035 0.078 . 1 . . . . 34 M CA . 17279 1 48 . 1 1 7 7 MET CB C 13 32.688 0.067 . 1 . . . . 34 M CB . 17279 1 49 . 1 1 7 7 MET CG C 13 32.596 0.052 . 1 . . . . 34 M CG . 17279 1 50 . 1 1 7 7 MET CE C 13 17.463 0.056 . 1 . . . . 34 M CE . 17279 1 51 . 1 1 7 7 MET N N 15 123.577 0.011 . 1 . . . . 34 M N . 17279 1 52 . 1 1 8 8 PRO HA H 1 4.434 0.023 . 1 . . . . 35 P HA . 17279 1 53 . 1 1 8 8 PRO HB2 H 1 2.339 0.015 . 2 . . . . 35 P HB2 . 17279 1 54 . 1 1 8 8 PRO HB3 H 1 1.912 0.011 . 2 . . . . 35 P HB3 . 17279 1 55 . 1 1 8 8 PRO HG2 H 1 1.839 0.009 . 2 . . . . 35 P HG2 . 17279 1 56 . 1 1 8 8 PRO HD2 H 1 3.860 0.007 . 2 . . . . 35 P HD2 . 17279 1 57 . 1 1 8 8 PRO HD3 H 1 3.590 0.011 . 2 . . . . 35 P HD3 . 17279 1 58 . 1 1 8 8 PRO C C 13 176.191 0.003 . 1 . . . . 35 P C . 17279 1 59 . 1 1 8 8 PRO CA C 13 63.059 0.040 . 1 . . . . 35 P CA . 17279 1 60 . 1 1 8 8 PRO CB C 13 32.242 0.056 . 1 . . . . 35 P CB . 17279 1 61 . 1 1 8 8 PRO CG C 13 27.652 0.045 . 1 . . . . 35 P CG . 17279 1 62 . 1 1 8 8 PRO CD C 13 50.734 0.055 . 1 . . . . 35 P CD . 17279 1 63 . 1 1 9 9 GLN H H 1 8.489 0.003 . 1 . . . . 36 Q H . 17279 1 64 . 1 1 9 9 GLN HA H 1 4.224 0.017 . 1 . . . . 36 Q HA . 17279 1 65 . 1 1 9 9 GLN HB2 H 1 2.084 0.019 . 2 . . . . 36 Q HB2 . 17279 1 66 . 1 1 9 9 GLN HG2 H 1 2.444 0.030 . 2 . . . . 36 Q HG2 . 17279 1 67 . 1 1 9 9 GLN HE21 H 1 7.670 0.002 . 2 . . . . 36 Q HE21 . 17279 1 68 . 1 1 9 9 GLN HE22 H 1 6.691 0.001 . 2 . . . . 36 Q HE22 . 17279 1 69 . 1 1 9 9 GLN C C 13 176.493 0.003 . 1 . . . . 36 Q C . 17279 1 70 . 1 1 9 9 GLN CA C 13 57.247 0.053 . 1 . . . . 36 Q CA . 17279 1 71 . 1 1 9 9 GLN CB C 13 29.374 0.030 . 1 . . . . 36 Q CB . 17279 1 72 . 1 1 9 9 GLN CG C 13 33.963 0.050 . 1 . . . . 36 Q CG . 17279 1 73 . 1 1 9 9 GLN N N 15 121.759 0.012 . 1 . . . . 36 Q N . 17279 1 74 . 1 1 9 9 GLN NE2 N 15 112.355 0.015 . 1 . . . . 36 Q NE2 . 17279 1 75 . 1 1 10 10 GLY H H 1 8.470 0.003 . 1 . . . . 37 G H . 17279 1 76 . 1 1 10 10 GLY HA2 H 1 4.028 0.014 . 2 . . . . 37 G HA2 . 17279 1 77 . 1 1 10 10 GLY HA3 H 1 3.732 0.014 . 2 . . . . 37 G HA3 . 17279 1 78 . 1 1 10 10 GLY C C 13 173.562 0.003 . 1 . . . . 37 G C . 17279 1 79 . 1 1 10 10 GLY CA C 13 45.159 0.037 . 1 . . . . 37 G CA . 17279 1 80 . 1 1 10 10 GLY N N 15 110.812 0.022 . 1 . . . . 37 G N . 17279 1 81 . 1 1 11 11 PHE H H 1 8.045 0.002 . 1 . . . . 38 F H . 17279 1 82 . 1 1 11 11 PHE HA H 1 4.614 0.005 . 1 . . . . 38 F HA . 17279 1 83 . 1 1 11 11 PHE HB2 H 1 2.959 0.034 . 2 . . . . 38 F HB2 . 17279 1 84 . 1 1 11 11 PHE HD1 H 1 7.206 0.010 . 3 . . . . 38 F HD1 . 17279 1 85 . 1 1 11 11 PHE HE1 H 1 7.164 0.006 . 3 . . . . 38 F HE1 . 17279 1 86 . 1 1 11 11 PHE HZ H 1 6.164 0.003 . 1 . . . . 38 F HZ . 17279 1 87 . 1 1 11 11 PHE C C 13 174.793 0.003 . 1 . . . . 38 F C . 17279 1 88 . 1 1 11 11 PHE CA C 13 57.838 0.051 . 1 . . . . 38 F CA . 17279 1 89 . 1 1 11 11 PHE CB C 13 40.756 0.034 . 1 . . . . 38 F CB . 17279 1 90 . 1 1 11 11 PHE CD1 C 13 132.864 0.031 . 3 . . . . 38 F CD1 . 17279 1 91 . 1 1 11 11 PHE CE1 C 13 130.800 0.067 . 3 . . . . 38 F CE1 . 17279 1 92 . 1 1 11 11 PHE CZ C 13 128.685 0.003 . 1 . . . . 38 F CZ . 17279 1 93 . 1 1 11 11 PHE N N 15 119.898 0.030 . 1 . . . . 38 F N . 17279 1 94 . 1 1 12 12 SER H H 1 8.614 0.002 . 1 . . . . 39 S H . 17279 1 95 . 1 1 12 12 SER HA H 1 4.617 0.016 . 1 . . . . 39 S HA . 17279 1 96 . 1 1 12 12 SER HB2 H 1 3.916 0.020 . 2 . . . . 39 S HB2 . 17279 1 97 . 1 1 12 12 SER HB3 H 1 3.877 0.007 . 2 . . . . 39 S HB3 . 17279 1 98 . 1 1 12 12 SER C C 13 173.733 0.003 . 1 . . . . 39 S C . 17279 1 99 . 1 1 12 12 SER CA C 13 57.896 0.071 . 1 . . . . 39 S CA . 17279 1 100 . 1 1 12 12 SER CB C 13 64.992 0.043 . 1 . . . . 39 S CB . 17279 1 101 . 1 1 12 12 SER N N 15 117.109 0.017 . 1 . . . . 39 S N . 17279 1 102 . 1 1 13 13 GLN H H 1 8.532 0.002 . 1 . . . . 40 Q H . 17279 1 103 . 1 1 13 13 GLN HA H 1 4.475 0.003 . 1 . . . . 40 Q HA . 17279 1 104 . 1 1 13 13 GLN HB2 H 1 2.115 0.021 . 2 . . . . 40 Q HB2 . 17279 1 105 . 1 1 13 13 GLN HG2 H 1 2.441 0.009 . 2 . . . . 40 Q HG2 . 17279 1 106 . 1 1 13 13 GLN HG3 H 1 2.389 0.003 . 2 . . . . 40 Q HG3 . 17279 1 107 . 1 1 13 13 GLN HE21 H 1 7.463 0.002 . 2 . . . . 40 Q HE21 . 17279 1 108 . 1 1 13 13 GLN HE22 H 1 6.803 0.003 . 2 . . . . 40 Q HE22 . 17279 1 109 . 1 1 13 13 GLN C C 13 176.414 0.003 . 1 . . . . 40 Q C . 17279 1 110 . 1 1 13 13 GLN CA C 13 55.930 0.028 . 1 . . . . 40 Q CA . 17279 1 111 . 1 1 13 13 GLN CB C 13 29.781 0.046 . 1 . . . . 40 Q CB . 17279 1 112 . 1 1 13 13 GLN CG C 13 33.963 0.049 . 1 . . . . 40 Q CG . 17279 1 113 . 1 1 13 13 GLN N N 15 122.851 0.017 . 1 . . . . 40 Q N . 17279 1 114 . 1 1 13 13 GLN NE2 N 15 112.051 0.011 . 1 . . . . 40 Q NE2 . 17279 1 115 . 1 1 14 14 MET H H 1 8.910 0.003 . 1 . . . . 41 M H . 17279 1 116 . 1 1 14 14 MET HA H 1 4.600 0.006 . 1 . . . . 41 M HA . 17279 1 117 . 1 1 14 14 MET HB2 H 1 2.387 0.008 . 2 . . . . 41 M HB2 . 17279 1 118 . 1 1 14 14 MET HB3 H 1 2.136 0.013 . 2 . . . . 41 M HB3 . 17279 1 119 . 1 1 14 14 MET HG2 H 1 2.730 0.003 . 2 . . . . 41 M HG2 . 17279 1 120 . 1 1 14 14 MET HG3 H 1 2.693 0.004 . 2 . . . . 41 M HG3 . 17279 1 121 . 1 1 14 14 MET HE1 H 1 2.205 0.011 . 1 . . . . 41 M HE1 . 17279 1 122 . 1 1 14 14 MET HE2 H 1 2.205 0.011 . 1 . . . . 41 M HE1 . 17279 1 123 . 1 1 14 14 MET HE3 H 1 2.205 0.011 . 1 . . . . 41 M HE1 . 17279 1 124 . 1 1 14 14 MET C C 13 176.904 0.003 . 1 . . . . 41 M C . 17279 1 125 . 1 1 14 14 MET CA C 13 56.945 0.051 . 1 . . . . 41 M CA . 17279 1 126 . 1 1 14 14 MET CB C 13 33.611 0.048 . 1 . . . . 41 M CB . 17279 1 127 . 1 1 14 14 MET CG C 13 32.447 0.053 . 1 . . . . 41 M CG . 17279 1 128 . 1 1 14 14 MET CE C 13 17.017 0.044 . 1 . . . . 41 M CE . 17279 1 129 . 1 1 14 14 MET N N 15 126.267 0.018 . 1 . . . . 41 M N . 17279 1 130 . 1 1 15 15 THR H H 1 8.718 0.002 . 1 . . . . 42 T H . 17279 1 131 . 1 1 15 15 THR HA H 1 4.377 0.017 . 1 . . . . 42 T HA . 17279 1 132 . 1 1 15 15 THR HB H 1 4.480 0.014 . 1 . . . . 42 T HB . 17279 1 133 . 1 1 15 15 THR HG21 H 1 1.347 0.013 . 1 . . . . 42 T HG21 . 17279 1 134 . 1 1 15 15 THR HG22 H 1 1.347 0.013 . 1 . . . . 42 T HG21 . 17279 1 135 . 1 1 15 15 THR HG23 H 1 1.347 0.013 . 1 . . . . 42 T HG21 . 17279 1 136 . 1 1 15 15 THR C C 13 174.518 0.003 . 1 . . . . 42 T C . 17279 1 137 . 1 1 15 15 THR CA C 13 63.042 0.070 . 1 . . . . 42 T CA . 17279 1 138 . 1 1 15 15 THR CB C 13 69.652 0.053 . 1 . . . . 42 T CB . 17279 1 139 . 1 1 15 15 THR CG2 C 13 22.357 0.026 . 1 . . . . 42 T CG2 . 17279 1 140 . 1 1 15 15 THR N N 15 114.456 0.032 . 1 . . . . 42 T N . 17279 1 141 . 1 1 16 16 SER H H 1 7.815 0.002 . 1 . . . . 43 S H . 17279 1 142 . 1 1 16 16 SER HA H 1 4.581 0.012 . 1 . . . . 43 S HA . 17279 1 143 . 1 1 16 16 SER HB2 H 1 3.910 0.019 . 2 . . . . 43 S HB2 . 17279 1 144 . 1 1 16 16 SER HB3 H 1 3.985 0.003 . 2 . . . . 43 S HB3 . 17279 1 145 . 1 1 16 16 SER C C 13 171.875 0.003 . 1 . . . . 43 S C . 17279 1 146 . 1 1 16 16 SER CA C 13 57.630 0.047 . 1 . . . . 43 S CA . 17279 1 147 . 1 1 16 16 SER CB C 13 65.175 0.039 . 1 . . . . 43 S CB . 17279 1 148 . 1 1 16 16 SER N N 15 114.226 0.027 . 1 . . . . 43 S N . 17279 1 149 . 1 1 17 17 PHE H H 1 8.878 0.002 . 1 . . . . 44 F H . 17279 1 150 . 1 1 17 17 PHE HA H 1 4.911 0.012 . 1 . . . . 44 F HA . 17279 1 151 . 1 1 17 17 PHE HB2 H 1 3.040 0.003 . 2 . . . . 44 F HB2 . 17279 1 152 . 1 1 17 17 PHE HB3 H 1 2.954 0.022 . 2 . . . . 44 F HB3 . 17279 1 153 . 1 1 17 17 PHE HD1 H 1 7.473 0.005 . 3 . . . . 44 F HD1 . 17279 1 154 . 1 1 17 17 PHE HE1 H 1 7.131 0.013 . 3 . . . . 44 F HE1 . 17279 1 155 . 1 1 17 17 PHE HZ H 1 6.162 0.004 . 1 . . . . 44 F HZ . 17279 1 156 . 1 1 17 17 PHE C C 13 174.100 0.003 . 1 . . . . 44 F C . 17279 1 157 . 1 1 17 17 PHE CA C 13 58.032 0.039 . 1 . . . . 44 F CA . 17279 1 158 . 1 1 17 17 PHE CB C 13 42.593 0.079 . 1 . . . . 44 F CB . 17279 1 159 . 1 1 17 17 PHE CD1 C 13 133.050 0.120 . 3 . . . . 44 F CD1 . 17279 1 160 . 1 1 17 17 PHE CE1 C 13 130.596 0.050 . 3 . . . . 44 F CE1 . 17279 1 161 . 1 1 17 17 PHE CZ C 13 128.983 0.045 . 1 . . . . 44 F CZ . 17279 1 162 . 1 1 17 17 PHE N N 15 122.066 0.016 . 1 . . . . 44 F N . 17279 1 163 . 1 1 18 18 GLN H H 1 7.826 0.002 . 1 . . . . 45 Q H . 17279 1 164 . 1 1 18 18 GLN HA H 1 4.581 0.003 . 1 . . . . 45 Q HA . 17279 1 165 . 1 1 18 18 GLN HB2 H 1 1.731 0.021 . 2 . . . . 45 Q HB2 . 17279 1 166 . 1 1 18 18 GLN HB3 H 1 1.269 0.015 . 2 . . . . 45 Q HB3 . 17279 1 167 . 1 1 18 18 GLN HG2 H 1 2.228 0.009 . 2 . . . . 45 Q HG2 . 17279 1 168 . 1 1 18 18 GLN HG3 H 1 2.186 0.012 . 2 . . . . 45 Q HG3 . 17279 1 169 . 1 1 18 18 GLN HE21 H 1 7.291 0.001 . 2 . . . . 45 Q HE21 . 17279 1 170 . 1 1 18 18 GLN HE22 H 1 6.786 0.002 . 2 . . . . 45 Q HE22 . 17279 1 171 . 1 1 18 18 GLN C C 13 175.293 0.003 . 1 . . . . 45 Q C . 17279 1 172 . 1 1 18 18 GLN CA C 13 53.893 0.075 . 1 . . . . 45 Q CA . 17279 1 173 . 1 1 18 18 GLN CB C 13 27.670 0.079 . 1 . . . . 45 Q CB . 17279 1 174 . 1 1 18 18 GLN CG C 13 33.809 0.052 . 1 . . . . 45 Q CG . 17279 1 175 . 1 1 18 18 GLN N N 15 127.659 0.048 . 1 . . . . 45 Q N . 17279 1 176 . 1 1 18 18 GLN NE2 N 15 111.924 0.049 . 1 . . . . 45 Q NE2 . 17279 1 177 . 1 1 19 19 SER H H 1 8.257 0.004 . 1 . . . . 46 S H . 17279 1 178 . 1 1 19 19 SER HA H 1 4.087 0.030 . 1 . . . . 46 S HA . 17279 1 179 . 1 1 19 19 SER C C 13 175.750 0.003 . 1 . . . . 46 S C . 17279 1 180 . 1 1 19 19 SER CA C 13 63.136 0.069 . 1 . . . . 46 S CA . 17279 1 181 . 1 1 19 19 SER N N 15 121.659 0.034 . 1 . . . . 46 S N . 17279 1 182 . 1 1 20 20 ASN H H 1 8.747 0.003 . 1 . . . . 47 N H . 17279 1 183 . 1 1 20 20 ASN HA H 1 4.344 0.014 . 1 . . . . 47 N HA . 17279 1 184 . 1 1 20 20 ASN HB2 H 1 2.888 0.001 . 2 . . . . 47 N HB2 . 17279 1 185 . 1 1 20 20 ASN HB3 H 1 2.796 0.028 . 2 . . . . 47 N HB3 . 17279 1 186 . 1 1 20 20 ASN HD21 H 1 7.507 0.002 . 2 . . . . 47 N HD21 . 17279 1 187 . 1 1 20 20 ASN HD22 H 1 6.828 0.001 . 2 . . . . 47 N HD22 . 17279 1 188 . 1 1 20 20 ASN C C 13 177.386 0.003 . 1 . . . . 47 N C . 17279 1 189 . 1 1 20 20 ASN CA C 13 56.359 0.052 . 1 . . . . 47 N CA . 17279 1 190 . 1 1 20 20 ASN CB C 13 37.152 0.038 . 1 . . . . 47 N CB . 17279 1 191 . 1 1 20 20 ASN N N 15 115.906 0.019 . 1 . . . . 47 N N . 17279 1 192 . 1 1 20 20 ASN ND2 N 15 112.879 0.051 . 1 . . . . 47 N ND2 . 17279 1 193 . 1 1 21 21 LYS H H 1 7.074 0.004 . 1 . . . . 48 K H . 17279 1 194 . 1 1 21 21 LYS HA H 1 4.259 0.014 . 1 . . . . 48 K HA . 17279 1 195 . 1 1 21 21 LYS HB2 H 1 1.461 0.011 . 2 . . . . 48 K HB2 . 17279 1 196 . 1 1 21 21 LYS HB3 H 1 1.121 0.019 . 2 . . . . 48 K HB3 . 17279 1 197 . 1 1 21 21 LYS HG2 H 1 1.220 0.010 . 2 . . . . 48 K HG2 . 17279 1 198 . 1 1 21 21 LYS HG3 H 1 1.205 0.003 . 2 . . . . 48 K HG3 . 17279 1 199 . 1 1 21 21 LYS HD2 H 1 1.261 0.033 . 2 . . . . 48 K HD2 . 17279 1 200 . 1 1 21 21 LYS HE2 H 1 2.787 0.012 . 2 . . . . 48 K HE2 . 17279 1 201 . 1 1 21 21 LYS C C 13 176.285 0.003 . 1 . . . . 48 K C . 17279 1 202 . 1 1 21 21 LYS CA C 13 57.115 0.061 . 1 . . . . 48 K CA . 17279 1 203 . 1 1 21 21 LYS CB C 13 32.572 0.088 . 1 . . . . 48 K CB . 17279 1 204 . 1 1 21 21 LYS CG C 13 25.576 0.073 . 1 . . . . 48 K CG . 17279 1 205 . 1 1 21 21 LYS CD C 13 29.123 0.062 . 1 . . . . 48 K CD . 17279 1 206 . 1 1 21 21 LYS CE C 13 42.115 0.044 . 1 . . . . 48 K CE . 17279 1 207 . 1 1 21 21 LYS N N 15 117.458 0.023 . 1 . . . . 48 K N . 17279 1 208 . 1 1 22 22 PHE H H 1 7.708 0.003 . 1 . . . . 49 F H . 17279 1 209 . 1 1 22 22 PHE HA H 1 4.496 0.015 . 1 . . . . 49 F HA . 17279 1 210 . 1 1 22 22 PHE HB2 H 1 3.195 0.025 . 2 . . . . 49 F HB2 . 17279 1 211 . 1 1 22 22 PHE HB3 H 1 3.046 0.012 . 2 . . . . 49 F HB3 . 17279 1 212 . 1 1 22 22 PHE HD1 H 1 6.665 0.013 . 3 . . . . 49 F HD1 . 17279 1 213 . 1 1 22 22 PHE C C 13 173.527 0.003 . 1 . . . . 49 F C . 17279 1 214 . 1 1 22 22 PHE CA C 13 60.035 0.052 . 1 . . . . 49 F CA . 17279 1 215 . 1 1 22 22 PHE CB C 13 42.400 0.038 . 1 . . . . 49 F CB . 17279 1 216 . 1 1 22 22 PHE CD1 C 13 131.643 0.076 . 3 . . . . 49 F CD1 . 17279 1 217 . 1 1 22 22 PHE N N 15 120.202 0.029 . 1 . . . . 49 F N . 17279 1 218 . 1 1 23 23 GLN H H 1 6.899 0.004 . 1 . . . . 50 Q H . 17279 1 219 . 1 1 23 23 GLN HA H 1 4.465 0.012 . 1 . . . . 50 Q HA . 17279 1 220 . 1 1 23 23 GLN HB2 H 1 2.675 0.012 . 2 . . . . 50 Q HB2 . 17279 1 221 . 1 1 23 23 GLN HB3 H 1 2.401 0.011 . 2 . . . . 50 Q HB3 . 17279 1 222 . 1 1 23 23 GLN HG2 H 1 2.762 0.012 . 2 . . . . 50 Q HG2 . 17279 1 223 . 1 1 23 23 GLN HG3 H 1 2.488 0.014 . 2 . . . . 50 Q HG3 . 17279 1 224 . 1 1 23 23 GLN HE21 H 1 7.746 0.002 . 2 . . . . 50 Q HE21 . 17279 1 225 . 1 1 23 23 GLN HE22 H 1 7.265 0.001 . 2 . . . . 50 Q HE22 . 17279 1 226 . 1 1 23 23 GLN C C 13 174.984 0.003 . 1 . . . . 50 Q C . 17279 1 227 . 1 1 23 23 GLN CA C 13 56.700 0.068 . 1 . . . . 50 Q CA . 17279 1 228 . 1 1 23 23 GLN CB C 13 32.070 0.060 . 1 . . . . 50 Q CB . 17279 1 229 . 1 1 23 23 GLN CG C 13 35.234 0.056 . 1 . . . . 50 Q CG . 17279 1 230 . 1 1 23 23 GLN N N 15 110.177 0.021 . 1 . . . . 50 Q N . 17279 1 231 . 1 1 23 23 GLN NE2 N 15 112.722 0.046 . 1 . . . . 50 Q NE2 . 17279 1 232 . 1 1 24 24 GLY H H 1 9.531 0.002 . 1 . . . . 51 G H . 17279 1 233 . 1 1 24 24 GLY HA2 H 1 4.481 0.016 . 2 . . . . 51 G HA2 . 17279 1 234 . 1 1 24 24 GLY HA3 H 1 3.798 0.011 . 2 . . . . 51 G HA3 . 17279 1 235 . 1 1 24 24 GLY C C 13 172.907 0.003 . 1 . . . . 51 G C . 17279 1 236 . 1 1 24 24 GLY CA C 13 44.001 0.047 . 1 . . . . 51 G CA . 17279 1 237 . 1 1 24 24 GLY N N 15 109.481 0.018 . 1 . . . . 51 G N . 17279 1 238 . 1 1 25 25 GLU H H 1 8.564 0.002 . 1 . . . . 52 E H . 17279 1 239 . 1 1 25 25 GLU HA H 1 4.640 0.010 . 1 . . . . 52 E HA . 17279 1 240 . 1 1 25 25 GLU HB2 H 1 1.783 0.007 . 2 . . . . 52 E HB2 . 17279 1 241 . 1 1 25 25 GLU HB3 H 1 1.805 0.013 . 2 . . . . 52 E HB3 . 17279 1 242 . 1 1 25 25 GLU HG2 H 1 2.065 0.007 . 2 . . . . 52 E HG2 . 17279 1 243 . 1 1 25 25 GLU HG3 H 1 1.814 0.015 . 2 . . . . 52 E HG3 . 17279 1 244 . 1 1 25 25 GLU C C 13 175.759 0.003 . 1 . . . . 52 E C . 17279 1 245 . 1 1 25 25 GLU CA C 13 56.996 0.056 . 1 . . . . 52 E CA . 17279 1 246 . 1 1 25 25 GLU CB C 13 30.523 0.048 . 1 . . . . 52 E CB . 17279 1 247 . 1 1 25 25 GLU CG C 13 34.806 0.048 . 1 . . . . 52 E CG . 17279 1 248 . 1 1 25 25 GLU N N 15 120.325 0.029 . 1 . . . . 52 E N . 17279 1 249 . 1 1 26 26 TRP H H 1 9.034 0.003 . 1 . . . . 53 W H . 17279 1 250 . 1 1 26 26 TRP HA H 1 4.734 0.003 . 1 . . . . 53 W HA . 17279 1 251 . 1 1 26 26 TRP HB2 H 1 2.952 0.024 . 2 . . . . 53 W HB2 . 17279 1 252 . 1 1 26 26 TRP HB3 H 1 2.882 0.025 . 2 . . . . 53 W HB3 . 17279 1 253 . 1 1 26 26 TRP HD1 H 1 6.848 0.014 . 1 . . . . 53 W HD1 . 17279 1 254 . 1 1 26 26 TRP HE1 H 1 8.648 0.003 . 1 . . . . 53 W HE1 . 17279 1 255 . 1 1 26 26 TRP HE3 H 1 6.219 0.004 . 1 . . . . 53 W HE3 . 17279 1 256 . 1 1 26 26 TRP HZ2 H 1 6.325 0.005 . 1 . . . . 53 W HZ2 . 17279 1 257 . 1 1 26 26 TRP HH2 H 1 6.235 0.004 . 1 . . . . 53 W HH2 . 17279 1 258 . 1 1 26 26 TRP C C 13 174.212 0.003 . 1 . . . . 53 W C . 17279 1 259 . 1 1 26 26 TRP CA C 13 55.955 0.069 . 1 . . . . 53 W CA . 17279 1 260 . 1 1 26 26 TRP CB C 13 33.267 0.053 . 1 . . . . 53 W CB . 17279 1 261 . 1 1 26 26 TRP CD1 C 13 127.778 0.078 . 1 . . . . 53 W CD1 . 17279 1 262 . 1 1 26 26 TRP CE3 C 13 119.826 0.056 . 1 . . . . 53 W CE3 . 17279 1 263 . 1 1 26 26 TRP CZ2 C 13 114.974 0.088 . 1 . . . . 53 W CZ2 . 17279 1 264 . 1 1 26 26 TRP CH2 C 13 121.998 0.042 . 1 . . . . 53 W CH2 . 17279 1 265 . 1 1 26 26 TRP N N 15 126.241 0.042 . 1 . . . . 53 W N . 17279 1 266 . 1 1 26 26 TRP NE1 N 15 129.144 0.031 . 1 . . . . 53 W NE1 . 17279 1 267 . 1 1 27 27 PHE H H 1 9.795 0.003 . 1 . . . . 54 F H . 17279 1 268 . 1 1 27 27 PHE HA H 1 4.855 0.019 . 1 . . . . 54 F HA . 17279 1 269 . 1 1 27 27 PHE HB2 H 1 2.811 0.003 . 2 . . . . 54 F HB2 . 17279 1 270 . 1 1 27 27 PHE HB3 H 1 2.781 0.009 . 2 . . . . 54 F HB3 . 17279 1 271 . 1 1 27 27 PHE HD1 H 1 6.926 0.008 . 3 . . . . 54 F HD1 . 17279 1 272 . 1 1 27 27 PHE C C 13 176.209 0.003 . 1 . . . . 54 F C . 17279 1 273 . 1 1 27 27 PHE CA C 13 57.522 0.047 . 1 . . . . 54 F CA . 17279 1 274 . 1 1 27 27 PHE CB C 13 40.931 0.041 . 1 . . . . 54 F CB . 17279 1 275 . 1 1 27 27 PHE CD1 C 13 131.871 0.109 . 3 . . . . 54 F CD1 . 17279 1 276 . 1 1 27 27 PHE N N 15 120.466 0.018 . 1 . . . . 54 F N . 17279 1 277 . 1 1 28 28 VAL H H 1 8.669 0.005 . 1 . . . . 55 V H . 17279 1 278 . 1 1 28 28 VAL HA H 1 4.275 0.005 . 1 . . . . 55 V HA . 17279 1 279 . 1 1 28 28 VAL HB H 1 1.848 0.010 . 1 . . . . 55 V HB . 17279 1 280 . 1 1 28 28 VAL HG11 H 1 0.692 0.009 . 2 . . . . 55 V HG11 . 17279 1 281 . 1 1 28 28 VAL HG12 H 1 0.692 0.009 . 2 . . . . 55 V HG11 . 17279 1 282 . 1 1 28 28 VAL HG13 H 1 0.692 0.009 . 2 . . . . 55 V HG11 . 17279 1 283 . 1 1 28 28 VAL C C 13 175.120 0.003 . 1 . . . . 55 V C . 17279 1 284 . 1 1 28 28 VAL CA C 13 63.648 0.024 . 1 . . . . 55 V CA . 17279 1 285 . 1 1 28 28 VAL CB C 13 30.717 0.028 . 1 . . . . 55 V CB . 17279 1 286 . 1 1 28 28 VAL CG1 C 13 21.664 0.064 . 2 . . . . 55 V CG1 . 17279 1 287 . 1 1 28 28 VAL N N 15 123.376 0.049 . 1 . . . . 55 V N . 17279 1 288 . 1 1 29 29 LEU H H 1 8.745 0.003 . 1 . . . . 56 L H . 17279 1 289 . 1 1 29 29 LEU HA H 1 4.590 0.016 . 1 . . . . 56 L HA . 17279 1 290 . 1 1 29 29 LEU HB2 H 1 1.673 0.015 . 2 . . . . 56 L HB2 . 17279 1 291 . 1 1 29 29 LEU HB3 H 1 1.422 0.027 . 2 . . . . 56 L HB3 . 17279 1 292 . 1 1 29 29 LEU HG H 1 1.042 0.016 . 1 . . . . 56 L HG . 17279 1 293 . 1 1 29 29 LEU HD11 H 1 0.869 0.019 . 2 . . . . 56 L HD11 . 17279 1 294 . 1 1 29 29 LEU HD12 H 1 0.869 0.019 . 2 . . . . 56 L HD11 . 17279 1 295 . 1 1 29 29 LEU HD13 H 1 0.869 0.019 . 2 . . . . 56 L HD11 . 17279 1 296 . 1 1 29 29 LEU C C 13 176.796 0.003 . 1 . . . . 56 L C . 17279 1 297 . 1 1 29 29 LEU CA C 13 55.012 0.058 . 1 . . . . 56 L CA . 17279 1 298 . 1 1 29 29 LEU CB C 13 43.765 0.079 . 1 . . . . 56 L CB . 17279 1 299 . 1 1 29 29 LEU CG C 13 26.532 0.059 . 1 . . . . 56 L CG . 17279 1 300 . 1 1 29 29 LEU CD1 C 13 23.176 0.034 . 2 . . . . 56 L CD1 . 17279 1 301 . 1 1 29 29 LEU CD2 C 13 23.179 0.003 . 2 . . . . 56 L CD2 . 17279 1 302 . 1 1 29 29 LEU N N 15 127.221 0.040 . 1 . . . . 56 L N . 17279 1 303 . 1 1 30 30 GLY H H 1 7.384 0.003 . 1 . . . . 57 G H . 17279 1 304 . 1 1 30 30 GLY HA2 H 1 4.403 0.014 . 2 . . . . 57 G HA2 . 17279 1 305 . 1 1 30 30 GLY HA3 H 1 2.935 0.012 . 2 . . . . 57 G HA3 . 17279 1 306 . 1 1 30 30 GLY C C 13 170.231 0.003 . 1 . . . . 57 G C . 17279 1 307 . 1 1 30 30 GLY CA C 13 46.227 0.058 . 1 . . . . 57 G CA . 17279 1 308 . 1 1 30 30 GLY N N 15 103.912 0.045 . 1 . . . . 57 G N . 17279 1 309 . 1 1 31 31 LEU H H 1 8.822 0.003 . 1 . . . . 58 L H . 17279 1 310 . 1 1 31 31 LEU HA H 1 5.446 0.015 . 1 . . . . 58 L HA . 17279 1 311 . 1 1 31 31 LEU HB2 H 1 1.701 0.016 . 2 . . . . 58 L HB2 . 17279 1 312 . 1 1 31 31 LEU HB3 H 1 1.670 0.005 . 2 . . . . 58 L HB3 . 17279 1 313 . 1 1 31 31 LEU HG H 1 1.582 0.015 . 1 . . . . 58 L HG . 17279 1 314 . 1 1 31 31 LEU HD11 H 1 0.991 0.007 . 2 . . . . 58 L HD11 . 17279 1 315 . 1 1 31 31 LEU HD12 H 1 0.991 0.007 . 2 . . . . 58 L HD11 . 17279 1 316 . 1 1 31 31 LEU HD13 H 1 0.991 0.007 . 2 . . . . 58 L HD11 . 17279 1 317 . 1 1 31 31 LEU HD21 H 1 0.740 0.005 . 2 . . . . 58 L HD21 . 17279 1 318 . 1 1 31 31 LEU HD22 H 1 0.740 0.005 . 2 . . . . 58 L HD21 . 17279 1 319 . 1 1 31 31 LEU HD23 H 1 0.740 0.005 . 2 . . . . 58 L HD21 . 17279 1 320 . 1 1 31 31 LEU C C 13 174.230 0.003 . 1 . . . . 58 L C . 17279 1 321 . 1 1 31 31 LEU CA C 13 54.658 0.064 . 1 . . . . 58 L CA . 17279 1 322 . 1 1 31 31 LEU CB C 13 47.895 0.039 . 1 . . . . 58 L CB . 17279 1 323 . 1 1 31 31 LEU CG C 13 27.517 0.073 . 1 . . . . 58 L CG . 17279 1 324 . 1 1 31 31 LEU CD1 C 13 25.912 0.053 . 2 . . . . 58 L CD1 . 17279 1 325 . 1 1 31 31 LEU CD2 C 13 25.881 0.023 . 2 . . . . 58 L CD2 . 17279 1 326 . 1 1 31 31 LEU N N 15 124.218 0.042 . 1 . . . . 58 L N . 17279 1 327 . 1 1 32 32 ALA H H 1 9.114 0.003 . 1 . . . . 59 A H . 17279 1 328 . 1 1 32 32 ALA HA H 1 5.538 0.014 . 1 . . . . 59 A HA . 17279 1 329 . 1 1 32 32 ALA HB1 H 1 1.239 0.013 . 1 . . . . 59 A HB1 . 17279 1 330 . 1 1 32 32 ALA HB2 H 1 1.239 0.013 . 1 . . . . 59 A HB1 . 17279 1 331 . 1 1 32 32 ALA HB3 H 1 1.239 0.013 . 1 . . . . 59 A HB1 . 17279 1 332 . 1 1 32 32 ALA CA C 13 50.735 0.053 . 1 . . . . 59 A CA . 17279 1 333 . 1 1 32 32 ALA CB C 13 24.953 0.052 . 1 . . . . 59 A CB . 17279 1 334 . 1 1 32 32 ALA N N 15 124.489 0.040 . 1 . . . . 59 A N . 17279 1 335 . 1 1 33 33 ASP H H 1 7.919 0.005 . 1 . . . . 60 D H . 17279 1 336 . 1 1 33 33 ASP HA H 1 5.610 0.006 . 1 . . . . 60 D HA . 17279 1 337 . 1 1 33 33 ASP HB2 H 1 2.197 0.027 . 2 . . . . 60 D HB2 . 17279 1 338 . 1 1 33 33 ASP HB3 H 1 1.934 0.030 . 2 . . . . 60 D HB3 . 17279 1 339 . 1 1 33 33 ASP C C 13 176.801 0.003 . 1 . . . . 60 D C . 17279 1 340 . 1 1 33 33 ASP CA C 13 53.123 0.076 . 1 . . . . 60 D CA . 17279 1 341 . 1 1 33 33 ASP CB C 13 45.158 0.059 . 1 . . . . 60 D CB . 17279 1 342 . 1 1 33 33 ASP N N 15 122.276 0.051 . 1 . . . . 60 D N . 17279 1 343 . 1 1 34 34 ASN H H 1 8.810 0.004 . 1 . . . . 61 N H . 17279 1 344 . 1 1 34 34 ASN HA H 1 4.491 0.015 . 1 . . . . 61 N HA . 17279 1 345 . 1 1 34 34 ASN HB2 H 1 3.202 0.018 . 2 . . . . 61 N HB2 . 17279 1 346 . 1 1 34 34 ASN HB3 H 1 2.772 0.005 . 2 . . . . 61 N HB3 . 17279 1 347 . 1 1 34 34 ASN HD21 H 1 7.555 0.002 . 2 . . . . 61 N HD21 . 17279 1 348 . 1 1 34 34 ASN HD22 H 1 6.936 0.001 . 2 . . . . 61 N HD22 . 17279 1 349 . 1 1 34 34 ASN CA C 13 56.114 0.046 . 1 . . . . 61 N CA . 17279 1 350 . 1 1 34 34 ASN CB C 13 37.444 0.047 . 1 . . . . 61 N CB . 17279 1 351 . 1 1 34 34 ASN N N 15 123.137 0.058 . 1 . . . . 61 N N . 17279 1 352 . 1 1 34 34 ASN ND2 N 15 111.415 0.038 . 1 . . . . 61 N ND2 . 17279 1 353 . 1 1 35 35 THR H H 1 9.831 0.007 . 1 . . . . 62 T H . 17279 1 354 . 1 1 35 35 THR HA H 1 4.409 0.003 . 1 . . . . 62 T HA . 17279 1 355 . 1 1 35 35 THR HB H 1 4.334 0.016 . 1 . . . . 62 T HB . 17279 1 356 . 1 1 35 35 THR HG21 H 1 1.229 0.004 . 1 . . . . 62 T HG21 . 17279 1 357 . 1 1 35 35 THR HG22 H 1 1.229 0.004 . 1 . . . . 62 T HG21 . 17279 1 358 . 1 1 35 35 THR HG23 H 1 1.229 0.004 . 1 . . . . 62 T HG21 . 17279 1 359 . 1 1 35 35 THR C C 13 175.235 0.003 . 1 . . . . 62 T C . 17279 1 360 . 1 1 35 35 THR CA C 13 63.080 0.066 . 1 . . . . 62 T CA . 17279 1 361 . 1 1 35 35 THR CB C 13 70.253 0.036 . 1 . . . . 62 T CB . 17279 1 362 . 1 1 35 35 THR CG2 C 13 22.333 0.036 . 1 . . . . 62 T CG2 . 17279 1 363 . 1 1 35 35 THR N N 15 113.526 0.031 . 1 . . . . 62 T N . 17279 1 364 . 1 1 36 36 TYR H H 1 7.835 0.004 . 1 . . . . 63 Y H . 17279 1 365 . 1 1 36 36 TYR HA H 1 4.884 0.010 . 1 . . . . 63 Y HA . 17279 1 366 . 1 1 36 36 TYR HB2 H 1 3.407 0.013 . 2 . . . . 63 Y HB2 . 17279 1 367 . 1 1 36 36 TYR HB3 H 1 3.135 0.019 . 2 . . . . 63 Y HB3 . 17279 1 368 . 1 1 36 36 TYR HD1 H 1 7.063 0.007 . 3 . . . . 63 Y HD1 . 17279 1 369 . 1 1 36 36 TYR HE1 H 1 6.706 0.010 . 3 . . . . 63 Y HE1 . 17279 1 370 . 1 1 36 36 TYR C C 13 174.974 0.003 . 1 . . . . 63 Y C . 17279 1 371 . 1 1 36 36 TYR CA C 13 56.646 0.084 . 1 . . . . 63 Y CA . 17279 1 372 . 1 1 36 36 TYR CB C 13 37.965 0.058 . 1 . . . . 63 Y CB . 17279 1 373 . 1 1 36 36 TYR CD1 C 13 132.179 0.089 . 3 . . . . 63 Y CD1 . 17279 1 374 . 1 1 36 36 TYR CE1 C 13 118.796 0.072 . 3 . . . . 63 Y CE1 . 17279 1 375 . 1 1 36 36 TYR N N 15 124.108 0.041 . 1 . . . . 63 Y N . 17279 1 376 . 1 1 37 37 LYS H H 1 7.899 0.004 . 1 . . . . 64 K H . 17279 1 377 . 1 1 37 37 LYS HA H 1 4.578 0.004 . 1 . . . . 64 K HA . 17279 1 378 . 1 1 37 37 LYS HB2 H 1 1.961 0.016 . 2 . . . . 64 K HB2 . 17279 1 379 . 1 1 37 37 LYS HB3 H 1 1.670 0.012 . 2 . . . . 64 K HB3 . 17279 1 380 . 1 1 37 37 LYS HG2 H 1 1.430 0.018 . 2 . . . . 64 K HG2 . 17279 1 381 . 1 1 37 37 LYS HG3 H 1 1.402 0.012 . 2 . . . . 64 K HG3 . 17279 1 382 . 1 1 37 37 LYS HD2 H 1 1.782 0.003 . 2 . . . . 64 K HD2 . 17279 1 383 . 1 1 37 37 LYS HD3 H 1 1.704 0.008 . 2 . . . . 64 K HD3 . 17279 1 384 . 1 1 37 37 LYS HE2 H 1 3.064 0.003 . 2 . . . . 64 K HE2 . 17279 1 385 . 1 1 37 37 LYS HE3 H 1 3.026 0.003 . 2 . . . . 64 K HE3 . 17279 1 386 . 1 1 37 37 LYS C C 13 176.252 0.003 . 1 . . . . 64 K C . 17279 1 387 . 1 1 37 37 LYS CA C 13 55.011 0.042 . 1 . . . . 64 K CA . 17279 1 388 . 1 1 37 37 LYS CB C 13 34.892 0.045 . 1 . . . . 64 K CB . 17279 1 389 . 1 1 37 37 LYS CG C 13 24.896 0.038 . 1 . . . . 64 K CG . 17279 1 390 . 1 1 37 37 LYS CD C 13 29.417 0.060 . 1 . . . . 64 K CD . 17279 1 391 . 1 1 37 37 LYS CE C 13 42.544 0.088 . 1 . . . . 64 K CE . 17279 1 392 . 1 1 37 37 LYS N N 15 122.104 0.049 . 1 . . . . 64 K N . 17279 1 393 . 1 1 38 38 ARG H H 1 8.309 0.003 . 1 . . . . 65 R H . 17279 1 394 . 1 1 38 38 ARG HA H 1 4.070 0.015 . 1 . . . . 65 R HA . 17279 1 395 . 1 1 38 38 ARG HB2 H 1 1.919 0.022 . 2 . . . . 65 R HB2 . 17279 1 396 . 1 1 38 38 ARG HG2 H 1 1.758 0.007 . 2 . . . . 65 R HG2 . 17279 1 397 . 1 1 38 38 ARG HD2 H 1 3.345 0.037 . 2 . . . . 65 R HD2 . 17279 1 398 . 1 1 38 38 ARG C C 13 176.880 0.003 . 1 . . . . 65 R C . 17279 1 399 . 1 1 38 38 ARG CA C 13 58.718 0.063 . 1 . . . . 65 R CA . 17279 1 400 . 1 1 38 38 ARG CB C 13 30.547 0.052 . 1 . . . . 65 R CB . 17279 1 401 . 1 1 38 38 ARG CG C 13 27.468 0.052 . 1 . . . . 65 R CG . 17279 1 402 . 1 1 38 38 ARG CD C 13 43.789 0.041 . 1 . . . . 65 R CD . 17279 1 403 . 1 1 38 38 ARG N N 15 121.905 0.035 . 1 . . . . 65 R N . 17279 1 404 . 1 1 39 39 GLU H H 1 8.579 0.002 . 1 . . . . 66 E H . 17279 1 405 . 1 1 39 39 GLU HA H 1 4.307 0.021 . 1 . . . . 66 E HA . 17279 1 406 . 1 1 39 39 GLU HB2 H 1 1.986 0.013 . 2 . . . . 66 E HB2 . 17279 1 407 . 1 1 39 39 GLU HG2 H 1 2.273 0.017 . 2 . . . . 66 E HG2 . 17279 1 408 . 1 1 39 39 GLU C C 13 175.950 0.003 . 1 . . . . 66 E C . 17279 1 409 . 1 1 39 39 GLU CA C 13 57.038 0.048 . 1 . . . . 66 E CA . 17279 1 410 . 1 1 39 39 GLU CB C 13 30.196 0.089 . 1 . . . . 66 E CB . 17279 1 411 . 1 1 39 39 GLU CG C 13 36.213 0.087 . 1 . . . . 66 E CG . 17279 1 412 . 1 1 39 39 GLU N N 15 118.645 0.022 . 1 . . . . 66 E N . 17279 1 413 . 1 1 40 40 HIS H H 1 8.219 0.004 . 1 . . . . 67 H H . 17279 1 414 . 1 1 40 40 HIS HA H 1 4.740 0.002 . 1 . . . . 67 H HA . 17279 1 415 . 1 1 40 40 HIS HB2 H 1 3.334 0.019 . 2 . . . . 67 H HB2 . 17279 1 416 . 1 1 40 40 HIS HB3 H 1 3.193 0.023 . 2 . . . . 67 H HB3 . 17279 1 417 . 1 1 40 40 HIS HD2 H 1 7.325 0.002 . 1 . . . . 67 H HD2 . 17279 1 418 . 1 1 40 40 HIS C C 13 173.558 0.003 . 1 . . . . 67 H C . 17279 1 419 . 1 1 40 40 HIS CA C 13 55.804 0.021 . 1 . . . . 67 H CA . 17279 1 420 . 1 1 40 40 HIS CB C 13 29.096 0.079 . 1 . . . . 67 H CB . 17279 1 421 . 1 1 40 40 HIS CD2 C 13 120.280 0.053 . 1 . . . . 67 H CD2 . 17279 1 422 . 1 1 40 40 HIS N N 15 118.248 0.031 . 1 . . . . 67 H N . 17279 1 423 . 1 1 41 41 ARG H H 1 8.129 0.003 . 1 . . . . 68 R H . 17279 1 424 . 1 1 41 41 ARG HA H 1 4.580 0.005 . 1 . . . . 68 R HA . 17279 1 425 . 1 1 41 41 ARG HB2 H 1 1.857 0.017 . 2 . . . . 68 R HB2 . 17279 1 426 . 1 1 41 41 ARG HB3 H 1 1.693 0.016 . 2 . . . . 68 R HB3 . 17279 1 427 . 1 1 41 41 ARG HG2 H 1 1.675 0.003 . 2 . . . . 68 R HG2 . 17279 1 428 . 1 1 41 41 ARG HG3 H 1 1.637 0.007 . 2 . . . . 68 R HG3 . 17279 1 429 . 1 1 41 41 ARG HD2 H 1 3.226 0.020 . 2 . . . . 68 R HD2 . 17279 1 430 . 1 1 41 41 ARG CA C 13 54.233 0.043 . 1 . . . . 68 R CA . 17279 1 431 . 1 1 41 41 ARG CB C 13 30.552 0.032 . 1 . . . . 68 R CB . 17279 1 432 . 1 1 41 41 ARG CG C 13 26.811 0.048 . 1 . . . . 68 R CG . 17279 1 433 . 1 1 41 41 ARG CD C 13 43.947 0.053 . 1 . . . . 68 R CD . 17279 1 434 . 1 1 41 41 ARG N N 15 122.229 0.023 . 1 . . . . 68 R N . 17279 1 435 . 1 1 42 42 PRO HA H 1 4.451 0.015 . 1 . . . . 69 P HA . 17279 1 436 . 1 1 42 42 PRO HB2 H 1 2.241 0.016 . 2 . . . . 69 P HB2 . 17279 1 437 . 1 1 42 42 PRO HB3 H 1 1.790 0.014 . 2 . . . . 69 P HB3 . 17279 1 438 . 1 1 42 42 PRO HG2 H 1 1.979 0.003 . 2 . . . . 69 P HG2 . 17279 1 439 . 1 1 42 42 PRO HG3 H 1 1.934 0.005 . 2 . . . . 69 P HG3 . 17279 1 440 . 1 1 42 42 PRO HD2 H 1 3.602 0.018 . 2 . . . . 69 P HD2 . 17279 1 441 . 1 1 42 42 PRO HD3 H 1 3.290 0.016 . 2 . . . . 69 P HD3 . 17279 1 442 . 1 1 42 42 PRO CA C 13 62.974 0.065 . 1 . . . . 69 P CA . 17279 1 443 . 1 1 42 42 PRO CB C 13 32.317 0.064 . 1 . . . . 69 P CB . 17279 1 444 . 1 1 42 42 PRO CG C 13 27.409 0.062 . 1 . . . . 69 P CG . 17279 1 445 . 1 1 42 42 PRO CD C 13 50.631 0.062 . 1 . . . . 69 P CD . 17279 1 446 . 1 1 43 43 LEU H H 1 8.155 0.002 . 1 . . . . 70 L H . 17279 1 447 . 1 1 43 43 LEU HA H 1 4.378 0.017 . 1 . . . . 70 L HA . 17279 1 448 . 1 1 43 43 LEU HB2 H 1 1.616 0.003 . 2 . . . . 70 L HB2 . 17279 1 449 . 1 1 43 43 LEU HB3 H 1 1.542 0.016 . 2 . . . . 70 L HB3 . 17279 1 450 . 1 1 43 43 LEU HG H 1 1.621 0.004 . 1 . . . . 70 L HG . 17279 1 451 . 1 1 43 43 LEU HD11 H 1 0.987 0.009 . 2 . . . . 70 L HD11 . 17279 1 452 . 1 1 43 43 LEU HD12 H 1 0.987 0.009 . 2 . . . . 70 L HD11 . 17279 1 453 . 1 1 43 43 LEU HD13 H 1 0.987 0.009 . 2 . . . . 70 L HD11 . 17279 1 454 . 1 1 43 43 LEU HD21 H 1 0.928 0.023 . 2 . . . . 70 L HD21 . 17279 1 455 . 1 1 43 43 LEU HD22 H 1 0.928 0.023 . 2 . . . . 70 L HD21 . 17279 1 456 . 1 1 43 43 LEU HD23 H 1 0.928 0.023 . 2 . . . . 70 L HD21 . 17279 1 457 . 1 1 43 43 LEU C C 13 176.331 0.003 . 1 . . . . 70 L C . 17279 1 458 . 1 1 43 43 LEU CA C 13 54.787 0.046 . 1 . . . . 70 L CA . 17279 1 459 . 1 1 43 43 LEU CB C 13 42.522 0.069 . 1 . . . . 70 L CB . 17279 1 460 . 1 1 43 43 LEU CG C 13 27.282 0.059 . 1 . . . . 70 L CG . 17279 1 461 . 1 1 43 43 LEU CD1 C 13 25.205 0.039 . 2 . . . . 70 L CD1 . 17279 1 462 . 1 1 43 43 LEU CD2 C 13 24.217 0.084 . 2 . . . . 70 L CD2 . 17279 1 463 . 1 1 43 43 LEU N N 15 121.673 0.031 . 1 . . . . 70 L N . 17279 1 464 . 1 1 44 44 LEU H H 1 7.880 0.003 . 1 . . . . 71 L H . 17279 1 465 . 1 1 44 44 LEU HA H 1 4.493 0.003 . 1 . . . . 71 L HA . 17279 1 466 . 1 1 44 44 LEU HB2 H 1 1.685 0.012 . 2 . . . . 71 L HB2 . 17279 1 467 . 1 1 44 44 LEU HB3 H 1 1.459 0.010 . 2 . . . . 71 L HB3 . 17279 1 468 . 1 1 44 44 LEU HG H 1 1.569 0.012 . 1 . . . . 71 L HG . 17279 1 469 . 1 1 44 44 LEU HD11 H 1 0.932 0.004 . 2 . . . . 71 L HD11 . 17279 1 470 . 1 1 44 44 LEU HD12 H 1 0.932 0.004 . 2 . . . . 71 L HD11 . 17279 1 471 . 1 1 44 44 LEU HD13 H 1 0.932 0.004 . 2 . . . . 71 L HD11 . 17279 1 472 . 1 1 44 44 LEU CA C 13 55.222 0.037 . 1 . . . . 71 L CA . 17279 1 473 . 1 1 44 44 LEU CB C 13 43.613 0.069 . 1 . . . . 71 L CB . 17279 1 474 . 1 1 44 44 LEU CG C 13 27.488 0.042 . 1 . . . . 71 L CG . 17279 1 475 . 1 1 44 44 LEU CD1 C 13 25.382 0.075 . 2 . . . . 71 L CD1 . 17279 1 476 . 1 1 44 44 LEU N N 15 122.961 0.026 . 1 . . . . 71 L N . 17279 1 477 . 1 1 45 45 HIS HA H 1 4.714 0.011 . 1 . . . . 72 H HA . 17279 1 478 . 1 1 45 45 HIS HB2 H 1 3.163 0.015 . 2 . . . . 72 H HB2 . 17279 1 479 . 1 1 45 45 HIS HD2 H 1 7.258 0.019 . 1 . . . . 72 H HD2 . 17279 1 480 . 1 1 45 45 HIS CA C 13 55.599 0.017 . 1 . . . . 72 H CA . 17279 1 481 . 1 1 45 45 HIS CB C 13 29.491 0.027 . 1 . . . . 72 H CB . 17279 1 482 . 1 1 45 45 HIS CD2 C 13 120.136 0.082 . 1 . . . . 72 H CD2 . 17279 1 483 . 1 1 46 46 SER HA H 1 4.468 0.003 . 1 . . . . 73 S HA . 17279 1 484 . 1 1 46 46 SER HB2 H 1 3.881 0.003 . 2 . . . . 73 S HB2 . 17279 1 485 . 1 1 46 46 SER HB3 H 1 3.268 0.003 . 2 . . . . 73 S HB3 . 17279 1 486 . 1 1 46 46 SER CA C 13 63.028 0.003 . 1 . . . . 73 S CA . 17279 1 487 . 1 1 46 46 SER CB C 13 65.528 0.031 . 1 . . . . 73 S CB . 17279 1 488 . 1 1 47 47 PHE HA H 1 5.726 0.022 . 1 . . . . 74 F HA . 17279 1 489 . 1 1 47 47 PHE HB2 H 1 3.584 0.006 . 2 . . . . 74 F HB2 . 17279 1 490 . 1 1 47 47 PHE HB3 H 1 3.175 0.011 . 2 . . . . 74 F HB3 . 17279 1 491 . 1 1 47 47 PHE HD1 H 1 7.292 0.019 . 3 . . . . 74 F HD1 . 17279 1 492 . 1 1 47 47 PHE HE1 H 1 7.214 0.007 . 3 . . . . 74 F HE1 . 17279 1 493 . 1 1 47 47 PHE HZ H 1 7.391 0.004 . 1 . . . . 74 F HZ . 17279 1 494 . 1 1 47 47 PHE CA C 13 55.335 0.035 . 1 . . . . 74 F CA . 17279 1 495 . 1 1 47 47 PHE CB C 13 40.367 0.053 . 1 . . . . 74 F CB . 17279 1 496 . 1 1 47 47 PHE CD1 C 13 131.763 0.054 . 3 . . . . 74 F CD1 . 17279 1 497 . 1 1 47 47 PHE CE1 C 13 130.771 0.057 . 3 . . . . 74 F CE1 . 17279 1 498 . 1 1 47 47 PHE CZ C 13 129.392 0.114 . 1 . . . . 74 F CZ . 17279 1 499 . 1 1 48 48 ILE HA H 1 4.810 0.011 . 1 . . . . 75 I HA . 17279 1 500 . 1 1 48 48 ILE HB H 1 1.629 0.002 . 1 . . . . 75 I HB . 17279 1 501 . 1 1 48 48 ILE HG12 H 1 1.440 0.006 . 2 . . . . 75 I HG12 . 17279 1 502 . 1 1 48 48 ILE HG13 H 1 0.919 0.008 . 2 . . . . 75 I HG13 . 17279 1 503 . 1 1 48 48 ILE HG21 H 1 0.722 0.014 . 1 . . . . 75 I HG21 . 17279 1 504 . 1 1 48 48 ILE HG22 H 1 0.722 0.014 . 1 . . . . 75 I HG21 . 17279 1 505 . 1 1 48 48 ILE HG23 H 1 0.722 0.014 . 1 . . . . 75 I HG21 . 17279 1 506 . 1 1 48 48 ILE HD11 H 1 0.668 0.005 . 1 . . . . 75 I HD11 . 17279 1 507 . 1 1 48 48 ILE HD12 H 1 0.668 0.005 . 1 . . . . 75 I HD11 . 17279 1 508 . 1 1 48 48 ILE HD13 H 1 0.668 0.005 . 1 . . . . 75 I HD11 . 17279 1 509 . 1 1 48 48 ILE C C 13 174.055 0.003 . 1 . . . . 75 I C . 17279 1 510 . 1 1 48 48 ILE CA C 13 60.390 0.064 . 1 . . . . 75 I CA . 17279 1 511 . 1 1 48 48 ILE CB C 13 41.890 0.030 . 1 . . . . 75 I CB . 17279 1 512 . 1 1 48 48 ILE CG1 C 13 28.328 0.049 . 1 . . . . 75 I CG1 . 17279 1 513 . 1 1 48 48 ILE CG2 C 13 18.205 0.022 . 1 . . . . 75 I CG2 . 17279 1 514 . 1 1 48 48 ILE CD1 C 13 14.394 0.056 . 1 . . . . 75 I CD1 . 17279 1 515 . 1 1 49 49 THR H H 1 8.935 0.002 . 1 . . . . 76 T H . 17279 1 516 . 1 1 49 49 THR HA H 1 5.045 0.016 . 1 . . . . 76 T HA . 17279 1 517 . 1 1 49 49 THR HB H 1 3.532 0.017 . 1 . . . . 76 T HB . 17279 1 518 . 1 1 49 49 THR HG21 H 1 0.850 0.015 . 1 . . . . 76 T HG21 . 17279 1 519 . 1 1 49 49 THR HG22 H 1 0.850 0.015 . 1 . . . . 76 T HG21 . 17279 1 520 . 1 1 49 49 THR HG23 H 1 0.850 0.015 . 1 . . . . 76 T HG21 . 17279 1 521 . 1 1 49 49 THR C C 13 171.635 0.003 . 1 . . . . 76 T C . 17279 1 522 . 1 1 49 49 THR CA C 13 60.558 0.038 . 1 . . . . 76 T CA . 17279 1 523 . 1 1 49 49 THR CB C 13 71.944 0.080 . 1 . . . . 76 T CB . 17279 1 524 . 1 1 49 49 THR CG2 C 13 22.333 0.050 . 1 . . . . 76 T CG2 . 17279 1 525 . 1 1 49 49 THR N N 15 121.000 0.026 . 1 . . . . 76 T N . 17279 1 526 . 1 1 50 50 LEU H H 1 8.817 0.003 . 1 . . . . 77 L H . 17279 1 527 . 1 1 50 50 LEU HA H 1 5.077 0.013 . 1 . . . . 77 L HA . 17279 1 528 . 1 1 50 50 LEU HB2 H 1 1.693 0.014 . 2 . . . . 77 L HB2 . 17279 1 529 . 1 1 50 50 LEU HB3 H 1 1.397 0.009 . 2 . . . . 77 L HB3 . 17279 1 530 . 1 1 50 50 LEU HG H 1 1.396 0.009 . 1 . . . . 77 L HG . 17279 1 531 . 1 1 50 50 LEU HD11 H 1 0.826 0.011 . 2 . . . . 77 L HD11 . 17279 1 532 . 1 1 50 50 LEU HD12 H 1 0.826 0.011 . 2 . . . . 77 L HD11 . 17279 1 533 . 1 1 50 50 LEU HD13 H 1 0.826 0.011 . 2 . . . . 77 L HD11 . 17279 1 534 . 1 1 50 50 LEU HD21 H 1 0.800 0.011 . 2 . . . . 77 L HD21 . 17279 1 535 . 1 1 50 50 LEU HD22 H 1 0.800 0.011 . 2 . . . . 77 L HD21 . 17279 1 536 . 1 1 50 50 LEU HD23 H 1 0.800 0.011 . 2 . . . . 77 L HD21 . 17279 1 537 . 1 1 50 50 LEU C C 13 175.287 0.003 . 1 . . . . 77 L C . 17279 1 538 . 1 1 50 50 LEU CA C 13 53.770 0.075 . 1 . . . . 77 L CA . 17279 1 539 . 1 1 50 50 LEU CB C 13 44.864 0.041 . 1 . . . . 77 L CB . 17279 1 540 . 1 1 50 50 LEU CG C 13 28.138 0.082 . 1 . . . . 77 L CG . 17279 1 541 . 1 1 50 50 LEU CD1 C 13 25.436 0.042 . 2 . . . . 77 L CD1 . 17279 1 542 . 1 1 50 50 LEU CD2 C 13 24.426 0.065 . 2 . . . . 77 L CD2 . 17279 1 543 . 1 1 50 50 LEU N N 15 127.842 0.036 . 1 . . . . 77 L N . 17279 1 544 . 1 1 51 51 PHE H H 1 8.857 0.003 . 1 . . . . 78 F H . 17279 1 545 . 1 1 51 51 PHE HA H 1 4.737 0.005 . 1 . . . . 78 F HA . 17279 1 546 . 1 1 51 51 PHE HB2 H 1 3.229 0.014 . 2 . . . . 78 F HB2 . 17279 1 547 . 1 1 51 51 PHE HB3 H 1 2.554 0.006 . 2 . . . . 78 F HB3 . 17279 1 548 . 1 1 51 51 PHE HD1 H 1 6.468 0.015 . 3 . . . . 78 F HD1 . 17279 1 549 . 1 1 51 51 PHE HE1 H 1 6.625 0.005 . 3 . . . . 78 F HE1 . 17279 1 550 . 1 1 51 51 PHE HZ H 1 6.757 0.004 . 1 . . . . 78 F HZ . 17279 1 551 . 1 1 51 51 PHE C C 13 175.732 0.003 . 1 . . . . 78 F C . 17279 1 552 . 1 1 51 51 PHE CA C 13 57.460 0.061 . 1 . . . . 78 F CA . 17279 1 553 . 1 1 51 51 PHE CB C 13 41.164 0.069 . 1 . . . . 78 F CB . 17279 1 554 . 1 1 51 51 PHE CD1 C 13 131.072 0.074 . 3 . . . . 78 F CD1 . 17279 1 555 . 1 1 51 51 PHE CE1 C 13 131.470 0.070 . 3 . . . . 78 F CE1 . 17279 1 556 . 1 1 51 51 PHE CZ C 13 128.725 0.074 . 1 . . . . 78 F CZ . 17279 1 557 . 1 1 51 51 PHE N N 15 124.677 0.032 . 1 . . . . 78 F N . 17279 1 558 . 1 1 52 52 LYS H H 1 9.109 0.003 . 1 . . . . 79 K H . 17279 1 559 . 1 1 52 52 LYS HA H 1 5.050 0.012 . 1 . . . . 79 K HA . 17279 1 560 . 1 1 52 52 LYS HB2 H 1 2.065 0.012 . 2 . . . . 79 K HB2 . 17279 1 561 . 1 1 52 52 LYS HB3 H 1 1.788 0.016 . 2 . . . . 79 K HB3 . 17279 1 562 . 1 1 52 52 LYS HG2 H 1 1.478 0.014 . 2 . . . . 79 K HG2 . 17279 1 563 . 1 1 52 52 LYS HD2 H 1 1.770 0.005 . 2 . . . . 79 K HD2 . 17279 1 564 . 1 1 52 52 LYS HE2 H 1 3.040 0.012 . 2 . . . . 79 K HE2 . 17279 1 565 . 1 1 52 52 LYS C C 13 174.919 0.003 . 1 . . . . 79 K C . 17279 1 566 . 1 1 52 52 LYS CA C 13 55.370 0.087 . 1 . . . . 79 K CA . 17279 1 567 . 1 1 52 52 LYS CB C 13 35.218 0.074 . 1 . . . . 79 K CB . 17279 1 568 . 1 1 52 52 LYS CG C 13 24.964 0.068 . 1 . . . . 79 K CG . 17279 1 569 . 1 1 52 52 LYS CD C 13 29.228 0.051 . 1 . . . . 79 K CD . 17279 1 570 . 1 1 52 52 LYS CE C 13 42.434 0.034 . 1 . . . . 79 K CE . 17279 1 571 . 1 1 52 52 LYS N N 15 126.120 0.021 . 1 . . . . 79 K N . 17279 1 572 . 1 1 53 53 LEU H H 1 8.942 0.002 . 1 . . . . 80 L H . 17279 1 573 . 1 1 53 53 LEU HA H 1 4.475 0.010 . 1 . . . . 80 L HA . 17279 1 574 . 1 1 53 53 LEU HB2 H 1 1.781 0.014 . 2 . . . . 80 L HB2 . 17279 1 575 . 1 1 53 53 LEU HB3 H 1 1.221 0.014 . 2 . . . . 80 L HB3 . 17279 1 576 . 1 1 53 53 LEU HG H 1 1.502 0.008 . 1 . . . . 80 L HG . 17279 1 577 . 1 1 53 53 LEU HD11 H 1 0.604 0.013 . 2 . . . . 80 L HD11 . 17279 1 578 . 1 1 53 53 LEU HD12 H 1 0.604 0.013 . 2 . . . . 80 L HD11 . 17279 1 579 . 1 1 53 53 LEU HD13 H 1 0.604 0.013 . 2 . . . . 80 L HD11 . 17279 1 580 . 1 1 53 53 LEU HD21 H 1 0.461 0.013 . 2 . . . . 80 L HD21 . 17279 1 581 . 1 1 53 53 LEU HD22 H 1 0.461 0.013 . 2 . . . . 80 L HD21 . 17279 1 582 . 1 1 53 53 LEU HD23 H 1 0.461 0.013 . 2 . . . . 80 L HD21 . 17279 1 583 . 1 1 53 53 LEU C C 13 176.479 0.003 . 1 . . . . 80 L C . 17279 1 584 . 1 1 53 53 LEU CA C 13 55.702 0.044 . 1 . . . . 80 L CA . 17279 1 585 . 1 1 53 53 LEU CB C 13 43.859 0.061 . 1 . . . . 80 L CB . 17279 1 586 . 1 1 53 53 LEU CG C 13 26.972 0.028 . 1 . . . . 80 L CG . 17279 1 587 . 1 1 53 53 LEU CD1 C 13 25.637 0.054 . 2 . . . . 80 L CD1 . 17279 1 588 . 1 1 53 53 LEU CD2 C 13 23.515 0.052 . 2 . . . . 80 L CD2 . 17279 1 589 . 1 1 53 53 LEU N N 15 130.211 0.014 . 1 . . . . 80 L N . 17279 1 590 . 1 1 54 54 ARG H H 1 8.843 0.005 . 1 . . . . 81 R H . 17279 1 591 . 1 1 54 54 ARG HA H 1 4.690 0.022 . 1 . . . . 81 R HA . 17279 1 592 . 1 1 54 54 ARG HB2 H 1 2.058 0.024 . 2 . . . . 81 R HB2 . 17279 1 593 . 1 1 54 54 ARG HB3 H 1 1.888 0.014 . 2 . . . . 81 R HB3 . 17279 1 594 . 1 1 54 54 ARG HG2 H 1 1.682 0.027 . 2 . . . . 81 R HG2 . 17279 1 595 . 1 1 54 54 ARG HD2 H 1 3.286 0.020 . 2 . . . . 81 R HD2 . 17279 1 596 . 1 1 54 54 ARG HD3 H 1 3.234 0.019 . 2 . . . . 81 R HD3 . 17279 1 597 . 1 1 54 54 ARG C C 13 176.101 0.003 . 1 . . . . 81 R C . 17279 1 598 . 1 1 54 54 ARG CA C 13 54.852 0.064 . 1 . . . . 81 R CA . 17279 1 599 . 1 1 54 54 ARG CB C 13 32.180 0.039 . 1 . . . . 81 R CB . 17279 1 600 . 1 1 54 54 ARG CG C 13 27.352 0.050 . 1 . . . . 81 R CG . 17279 1 601 . 1 1 54 54 ARG CD C 13 43.565 0.078 . 1 . . . . 81 R CD . 17279 1 602 . 1 1 54 54 ARG N N 15 126.383 0.028 . 1 . . . . 81 R N . 17279 1 603 . 1 1 55 55 ASP H H 1 8.427 0.004 . 1 . . . . 82 D H . 17279 1 604 . 1 1 55 55 ASP HA H 1 4.446 0.019 . 1 . . . . 82 D HA . 17279 1 605 . 1 1 55 55 ASP HB2 H 1 2.813 0.019 . 2 . . . . 82 D HB2 . 17279 1 606 . 1 1 55 55 ASP HB3 H 1 2.776 0.007 . 2 . . . . 82 D HB3 . 17279 1 607 . 1 1 55 55 ASP C C 13 175.931 0.003 . 1 . . . . 82 D C . 17279 1 608 . 1 1 55 55 ASP CA C 13 55.884 0.065 . 1 . . . . 82 D CA . 17279 1 609 . 1 1 55 55 ASP CB C 13 40.452 0.036 . 1 . . . . 82 D CB . 17279 1 610 . 1 1 55 55 ASP N N 15 120.103 0.033 . 1 . . . . 82 D N . 17279 1 611 . 1 1 56 56 ASN H H 1 8.299 0.003 . 1 . . . . 83 N H . 17279 1 612 . 1 1 56 56 ASN HA H 1 4.571 0.013 . 1 . . . . 83 N HA . 17279 1 613 . 1 1 56 56 ASN HB2 H 1 3.117 0.001 . 2 . . . . 83 N HB2 . 17279 1 614 . 1 1 56 56 ASN HB3 H 1 2.976 0.038 . 2 . . . . 83 N HB3 . 17279 1 615 . 1 1 56 56 ASN HD21 H 1 7.487 0.001 . 2 . . . . 83 N HD21 . 17279 1 616 . 1 1 56 56 ASN HD22 H 1 6.567 0.003 . 2 . . . . 83 N HD22 . 17279 1 617 . 1 1 56 56 ASN C C 13 175.398 0.003 . 1 . . . . 83 N C . 17279 1 618 . 1 1 56 56 ASN CA C 13 54.093 0.052 . 1 . . . . 83 N CA . 17279 1 619 . 1 1 56 56 ASN CB C 13 37.938 0.042 . 1 . . . . 83 N CB . 17279 1 620 . 1 1 56 56 ASN N N 15 115.260 0.046 . 1 . . . . 83 N N . 17279 1 621 . 1 1 56 56 ASN ND2 N 15 111.066 0.031 . 1 . . . . 83 N ND2 . 17279 1 622 . 1 1 57 57 SER H H 1 8.174 0.003 . 1 . . . . 84 S H . 17279 1 623 . 1 1 57 57 SER HA H 1 4.022 0.011 . 1 . . . . 84 S HA . 17279 1 624 . 1 1 57 57 SER HB2 H 1 4.255 0.028 . 2 . . . . 84 S HB2 . 17279 1 625 . 1 1 57 57 SER HB3 H 1 4.130 0.064 . 2 . . . . 84 S HB3 . 17279 1 626 . 1 1 57 57 SER C C 13 172.472 0.003 . 1 . . . . 84 S C . 17279 1 627 . 1 1 57 57 SER CA C 13 60.821 0.059 . 1 . . . . 84 S CA . 17279 1 628 . 1 1 57 57 SER CB C 13 62.583 0.074 . 1 . . . . 84 S CB . 17279 1 629 . 1 1 57 57 SER N N 15 108.486 0.025 . 1 . . . . 84 S N . 17279 1 630 . 1 1 58 58 GLU H H 1 7.438 0.002 . 1 . . . . 85 E H . 17279 1 631 . 1 1 58 58 GLU HA H 1 4.750 0.011 . 1 . . . . 85 E HA . 17279 1 632 . 1 1 58 58 GLU HB2 H 1 2.149 0.007 . 2 . . . . 85 E HB2 . 17279 1 633 . 1 1 58 58 GLU HB3 H 1 2.034 0.003 . 2 . . . . 85 E HB3 . 17279 1 634 . 1 1 58 58 GLU HG2 H 1 2.570 0.034 . 2 . . . . 85 E HG2 . 17279 1 635 . 1 1 58 58 GLU HG3 H 1 2.554 0.033 . 2 . . . . 85 E HG3 . 17279 1 636 . 1 1 58 58 GLU C C 13 175.896 0.003 . 1 . . . . 85 E C . 17279 1 637 . 1 1 58 58 GLU CA C 13 55.795 0.052 . 1 . . . . 85 E CA . 17279 1 638 . 1 1 58 58 GLU CB C 13 30.615 0.049 . 1 . . . . 85 E CB . 17279 1 639 . 1 1 58 58 GLU CG C 13 35.801 0.035 . 1 . . . . 85 E CG . 17279 1 640 . 1 1 58 58 GLU N N 15 116.855 0.029 . 1 . . . . 85 E N . 17279 1 641 . 1 1 59 59 PHE H H 1 8.520 0.002 . 1 . . . . 86 F H . 17279 1 642 . 1 1 59 59 PHE HA H 1 5.665 0.010 . 1 . . . . 86 F HA . 17279 1 643 . 1 1 59 59 PHE HB2 H 1 2.780 0.012 . 2 . . . . 86 F HB2 . 17279 1 644 . 1 1 59 59 PHE HB3 H 1 2.592 0.020 . 2 . . . . 86 F HB3 . 17279 1 645 . 1 1 59 59 PHE HD1 H 1 6.911 0.010 . 3 . . . . 86 F HD1 . 17279 1 646 . 1 1 59 59 PHE HE1 H 1 7.369 0.016 . 3 . . . . 86 F HE1 . 17279 1 647 . 1 1 59 59 PHE HZ H 1 7.845 0.011 . 1 . . . . 86 F HZ . 17279 1 648 . 1 1 59 59 PHE C C 13 175.855 0.003 . 1 . . . . 86 F C . 17279 1 649 . 1 1 59 59 PHE CA C 13 57.046 0.044 . 1 . . . . 86 F CA . 17279 1 650 . 1 1 59 59 PHE CB C 13 43.399 0.048 . 1 . . . . 86 F CB . 17279 1 651 . 1 1 59 59 PHE CD1 C 13 131.957 0.063 . 3 . . . . 86 F CD1 . 17279 1 652 . 1 1 59 59 PHE CE1 C 13 131.454 0.081 . 3 . . . . 86 F CE1 . 17279 1 653 . 1 1 59 59 PHE CZ C 13 129.960 0.086 . 1 . . . . 86 F CZ . 17279 1 654 . 1 1 59 59 PHE N N 15 115.342 0.029 . 1 . . . . 86 F N . 17279 1 655 . 1 1 60 60 GLN H H 1 9.551 0.003 . 1 . . . . 87 Q H . 17279 1 656 . 1 1 60 60 GLN HA H 1 4.501 0.003 . 1 . . . . 87 Q HA . 17279 1 657 . 1 1 60 60 GLN HB2 H 1 2.159 0.003 . 2 . . . . 87 Q HB2 . 17279 1 658 . 1 1 60 60 GLN HB3 H 1 2.052 0.022 . 2 . . . . 87 Q HB3 . 17279 1 659 . 1 1 60 60 GLN HG2 H 1 2.197 0.026 . 2 . . . . 87 Q HG2 . 17279 1 660 . 1 1 60 60 GLN HE21 H 1 7.168 0.002 . 2 . . . . 87 Q HE21 . 17279 1 661 . 1 1 60 60 GLN HE22 H 1 6.757 0.001 . 2 . . . . 87 Q HE22 . 17279 1 662 . 1 1 60 60 GLN C C 13 174.911 0.003 . 1 . . . . 87 Q C . 17279 1 663 . 1 1 60 60 GLN CA C 13 55.923 0.058 . 1 . . . . 87 Q CA . 17279 1 664 . 1 1 60 60 GLN CB C 13 30.244 0.105 . 1 . . . . 87 Q CB . 17279 1 665 . 1 1 60 60 GLN CG C 13 33.855 0.094 . 1 . . . . 87 Q CG . 17279 1 666 . 1 1 60 60 GLN N N 15 122.825 0.019 . 1 . . . . 87 Q N . 17279 1 667 . 1 1 60 60 GLN NE2 N 15 111.008 0.031 . 1 . . . . 87 Q NE2 . 17279 1 668 . 1 1 61 61 VAL H H 1 9.044 0.002 . 1 . . . . 88 V H . 17279 1 669 . 1 1 61 61 VAL HA H 1 4.576 0.007 . 1 . . . . 88 V HA . 17279 1 670 . 1 1 61 61 VAL HB H 1 0.503 0.011 . 1 . . . . 88 V HB . 17279 1 671 . 1 1 61 61 VAL HG11 H 1 0.006 0.009 . 2 . . . . 88 V HG11 . 17279 1 672 . 1 1 61 61 VAL HG12 H 1 0.006 0.009 . 2 . . . . 88 V HG11 . 17279 1 673 . 1 1 61 61 VAL HG13 H 1 0.006 0.009 . 2 . . . . 88 V HG11 . 17279 1 674 . 1 1 61 61 VAL HG21 H 1 -0.109 0.012 . 2 . . . . 88 V HG21 . 17279 1 675 . 1 1 61 61 VAL HG22 H 1 -0.109 0.012 . 2 . . . . 88 V HG21 . 17279 1 676 . 1 1 61 61 VAL HG23 H 1 -0.109 0.012 . 2 . . . . 88 V HG21 . 17279 1 677 . 1 1 61 61 VAL C C 13 175.520 0.003 . 1 . . . . 88 V C . 17279 1 678 . 1 1 61 61 VAL CA C 13 60.920 0.061 . 1 . . . . 88 V CA . 17279 1 679 . 1 1 61 61 VAL CB C 13 32.272 0.033 . 1 . . . . 88 V CB . 17279 1 680 . 1 1 61 61 VAL CG1 C 13 21.699 0.036 . 2 . . . . 88 V CG1 . 17279 1 681 . 1 1 61 61 VAL CG2 C 13 21.041 0.077 . 2 . . . . 88 V CG2 . 17279 1 682 . 1 1 61 61 VAL N N 15 131.512 0.051 . 1 . . . . 88 V N . 17279 1 683 . 1 1 62 62 THR H H 1 8.573 0.003 . 1 . . . . 89 T H . 17279 1 684 . 1 1 62 62 THR HA H 1 4.540 0.015 . 1 . . . . 89 T HA . 17279 1 685 . 1 1 62 62 THR HB H 1 3.762 0.015 . 1 . . . . 89 T HB . 17279 1 686 . 1 1 62 62 THR HG21 H 1 1.041 0.013 . 1 . . . . 89 T HG21 . 17279 1 687 . 1 1 62 62 THR HG22 H 1 1.041 0.013 . 1 . . . . 89 T HG21 . 17279 1 688 . 1 1 62 62 THR HG23 H 1 1.041 0.013 . 1 . . . . 89 T HG21 . 17279 1 689 . 1 1 62 62 THR C C 13 172.483 0.003 . 1 . . . . 89 T C . 17279 1 690 . 1 1 62 62 THR CA C 13 62.021 0.052 . 1 . . . . 89 T CA . 17279 1 691 . 1 1 62 62 THR CB C 13 70.739 0.031 . 1 . . . . 89 T CB . 17279 1 692 . 1 1 62 62 THR CG2 C 13 21.792 0.035 . 1 . . . . 89 T CG2 . 17279 1 693 . 1 1 62 62 THR N N 15 122.143 0.042 . 1 . . . . 89 T N . 17279 1 694 . 1 1 63 63 ASN H H 1 8.465 0.005 . 1 . . . . 90 N H . 17279 1 695 . 1 1 63 63 ASN HA H 1 5.398 0.019 . 1 . . . . 90 N HA . 17279 1 696 . 1 1 63 63 ASN C C 13 173.713 0.003 . 1 . . . . 90 N C . 17279 1 697 . 1 1 63 63 ASN CA C 13 51.926 0.054 . 1 . . . . 90 N CA . 17279 1 698 . 1 1 63 63 ASN CB C 13 40.916 0.003 . 1 . . . . 90 N CB . 17279 1 699 . 1 1 63 63 ASN N N 15 124.984 0.048 . 1 . . . . 90 N N . 17279 1 700 . 1 1 64 64 SER H H 1 8.819 0.005 . 1 . . . . 91 S H . 17279 1 701 . 1 1 64 64 SER HA H 1 5.396 0.017 . 1 . . . . 91 S HA . 17279 1 702 . 1 1 64 64 SER HB2 H 1 3.712 0.021 . 2 . . . . 91 S HB2 . 17279 1 703 . 1 1 64 64 SER HB3 H 1 3.591 0.030 . 2 . . . . 91 S HB3 . 17279 1 704 . 1 1 64 64 SER C C 13 172.823 0.003 . 1 . . . . 91 S C . 17279 1 705 . 1 1 64 64 SER CA C 13 57.383 0.053 . 1 . . . . 91 S CA . 17279 1 706 . 1 1 64 64 SER CB C 13 65.621 0.102 . 1 . . . . 91 S CB . 17279 1 707 . 1 1 64 64 SER N N 15 115.480 0.027 . 1 . . . . 91 S N . 17279 1 708 . 1 1 65 65 MET H H 1 9.156 0.013 . 1 . . . . 92 M H . 17279 1 709 . 1 1 65 65 MET HA H 1 5.342 0.019 . 1 . . . . 92 M HA . 17279 1 710 . 1 1 65 65 MET HB2 H 1 2.140 0.012 . 2 . . . . 92 M HB2 . 17279 1 711 . 1 1 65 65 MET HB3 H 1 1.909 0.016 . 2 . . . . 92 M HB3 . 17279 1 712 . 1 1 65 65 MET HG2 H 1 2.403 0.006 . 2 . . . . 92 M HG2 . 17279 1 713 . 1 1 65 65 MET HG3 H 1 2.358 0.011 . 2 . . . . 92 M HG3 . 17279 1 714 . 1 1 65 65 MET HE1 H 1 1.799 0.016 . 1 . . . . 92 M HE1 . 17279 1 715 . 1 1 65 65 MET HE2 H 1 1.799 0.016 . 1 . . . . 92 M HE1 . 17279 1 716 . 1 1 65 65 MET HE3 H 1 1.799 0.016 . 1 . . . . 92 M HE1 . 17279 1 717 . 1 1 65 65 MET CA C 13 54.757 0.079 . 1 . . . . 92 M CA . 17279 1 718 . 1 1 65 65 MET CB C 13 37.587 0.050 . 1 . . . . 92 M CB . 17279 1 719 . 1 1 65 65 MET CG C 13 31.790 0.043 . 1 . . . . 92 M CG . 17279 1 720 . 1 1 65 65 MET CE C 13 17.197 0.049 . 1 . . . . 92 M CE . 17279 1 721 . 1 1 65 65 MET N N 15 125.812 0.077 . 1 . . . . 92 M N . 17279 1 722 . 1 1 66 66 THR HA H 1 5.106 0.012 . 1 . . . . 93 T HA . 17279 1 723 . 1 1 66 66 THR HB H 1 4.188 0.002 . 1 . . . . 93 T HB . 17279 1 724 . 1 1 66 66 THR HG21 H 1 1.163 0.016 . 1 . . . . 93 T HG21 . 17279 1 725 . 1 1 66 66 THR HG22 H 1 1.163 0.016 . 1 . . . . 93 T HG21 . 17279 1 726 . 1 1 66 66 THR HG23 H 1 1.163 0.016 . 1 . . . . 93 T HG21 . 17279 1 727 . 1 1 66 66 THR C C 13 173.690 0.003 . 1 . . . . 93 T C . 17279 1 728 . 1 1 66 66 THR CA C 13 61.406 0.089 . 1 . . . . 93 T CA . 17279 1 729 . 1 1 66 66 THR CB C 13 70.289 0.079 . 1 . . . . 93 T CB . 17279 1 730 . 1 1 66 66 THR CG2 C 13 23.040 0.133 . 1 . . . . 93 T CG2 . 17279 1 731 . 1 1 67 67 ARG H H 1 8.381 0.003 . 1 . . . . 94 R H . 17279 1 732 . 1 1 67 67 ARG HA H 1 4.727 0.014 . 1 . . . . 94 R HA . 17279 1 733 . 1 1 67 67 ARG HB2 H 1 1.837 0.039 . 2 . . . . 94 R HB2 . 17279 1 734 . 1 1 67 67 ARG HB3 H 1 1.690 0.030 . 2 . . . . 94 R HB3 . 17279 1 735 . 1 1 67 67 ARG HG2 H 1 1.512 0.013 . 2 . . . . 94 R HG2 . 17279 1 736 . 1 1 67 67 ARG HD2 H 1 3.173 0.023 . 2 . . . . 94 R HD2 . 17279 1 737 . 1 1 67 67 ARG C C 13 179.805 0.003 . 1 . . . . 94 R C . 17279 1 738 . 1 1 67 67 ARG CA C 13 55.202 0.028 . 1 . . . . 94 R CA . 17279 1 739 . 1 1 67 67 ARG CB C 13 32.098 0.055 . 1 . . . . 94 R CB . 17279 1 740 . 1 1 67 67 ARG CG C 13 27.571 0.044 . 1 . . . . 94 R CG . 17279 1 741 . 1 1 67 67 ARG CD C 13 43.859 0.048 . 1 . . . . 94 R CD . 17279 1 742 . 1 1 67 67 ARG N N 15 126.453 0.060 . 1 . . . . 94 R N . 17279 1 743 . 1 1 68 68 GLY H H 1 9.038 0.005 . 1 . . . . 95 G H . 17279 1 744 . 1 1 68 68 GLY HA2 H 1 4.120 0.011 . 2 . . . . 95 G HA2 . 17279 1 745 . 1 1 68 68 GLY HA3 H 1 3.802 0.014 . 2 . . . . 95 G HA3 . 17279 1 746 . 1 1 68 68 GLY C C 13 174.434 0.003 . 1 . . . . 95 G C . 17279 1 747 . 1 1 68 68 GLY CA C 13 47.466 0.040 . 1 . . . . 95 G CA . 17279 1 748 . 1 1 68 68 GLY N N 15 116.785 0.051 . 1 . . . . 95 G N . 17279 1 749 . 1 1 69 69 LYS H H 1 8.770 0.003 . 1 . . . . 96 K H . 17279 1 750 . 1 1 69 69 LYS HA H 1 4.376 0.018 . 1 . . . . 96 K HA . 17279 1 751 . 1 1 69 69 LYS HB2 H 1 1.954 0.028 . 2 . . . . 96 K HB2 . 17279 1 752 . 1 1 69 69 LYS HB3 H 1 1.594 0.014 . 2 . . . . 96 K HB3 . 17279 1 753 . 1 1 69 69 LYS HG2 H 1 1.388 0.006 . 2 . . . . 96 K HG2 . 17279 1 754 . 1 1 69 69 LYS HD2 H 1 1.679 0.008 . 2 . . . . 96 K HD2 . 17279 1 755 . 1 1 69 69 LYS HD3 H 1 1.453 0.003 . 2 . . . . 96 K HD3 . 17279 1 756 . 1 1 69 69 LYS HE2 H 1 3.014 0.017 . 2 . . . . 96 K HE2 . 17279 1 757 . 1 1 69 69 LYS C C 13 175.512 0.003 . 1 . . . . 96 K C . 17279 1 758 . 1 1 69 69 LYS CA C 13 56.111 0.036 . 1 . . . . 96 K CA . 17279 1 759 . 1 1 69 69 LYS CB C 13 32.316 0.056 . 1 . . . . 96 K CB . 17279 1 760 . 1 1 69 69 LYS CG C 13 25.181 0.067 . 1 . . . . 96 K CG . 17279 1 761 . 1 1 69 69 LYS CD C 13 29.257 0.017 . 1 . . . . 96 K CD . 17279 1 762 . 1 1 69 69 LYS CE C 13 42.354 0.069 . 1 . . . . 96 K CE . 17279 1 763 . 1 1 69 69 LYS N N 15 124.690 0.037 . 1 . . . . 96 K N . 17279 1 764 . 1 1 70 70 HIS H H 1 8.035 0.003 . 1 . . . . 97 H H . 17279 1 765 . 1 1 70 70 HIS HA H 1 4.988 0.013 . 1 . . . . 97 H HA . 17279 1 766 . 1 1 70 70 HIS HB2 H 1 3.432 0.003 . 2 . . . . 97 H HB2 . 17279 1 767 . 1 1 70 70 HIS HB3 H 1 3.317 0.027 . 2 . . . . 97 H HB3 . 17279 1 768 . 1 1 70 70 HIS HD2 H 1 7.364 0.008 . 1 . . . . 97 H HD2 . 17279 1 769 . 1 1 70 70 HIS C C 13 173.278 0.003 . 1 . . . . 97 H C . 17279 1 770 . 1 1 70 70 HIS CA C 13 55.227 0.057 . 1 . . . . 97 H CA . 17279 1 771 . 1 1 70 70 HIS CB C 13 31.304 0.058 . 1 . . . . 97 H CB . 17279 1 772 . 1 1 70 70 HIS CD2 C 13 120.573 0.043 . 1 . . . . 97 H CD2 . 17279 1 773 . 1 1 70 70 HIS N N 15 117.252 0.033 . 1 . . . . 97 H N . 17279 1 774 . 1 1 71 71 CYS H H 1 8.814 0.004 . 1 . . . . 98 C H . 17279 1 775 . 1 1 71 71 CYS HA H 1 5.353 0.012 . 1 . . . . 98 C HA . 17279 1 776 . 1 1 71 71 CYS HB2 H 1 3.125 0.015 . 2 . . . . 98 C HB2 . 17279 1 777 . 1 1 71 71 CYS HB3 H 1 3.083 0.009 . 2 . . . . 98 C HB3 . 17279 1 778 . 1 1 71 71 CYS C C 13 173.921 0.003 . 1 . . . . 98 C C . 17279 1 779 . 1 1 71 71 CYS CA C 13 55.695 0.049 . 1 . . . . 98 C CA . 17279 1 780 . 1 1 71 71 CYS CB C 13 43.548 0.082 . 1 . . . . 98 C CB . 17279 1 781 . 1 1 71 71 CYS N N 15 123.828 0.029 . 1 . . . . 98 C N . 17279 1 782 . 1 1 72 72 SER H H 1 9.021 0.003 . 1 . . . . 99 S H . 17279 1 783 . 1 1 72 72 SER HA H 1 5.028 0.019 . 1 . . . . 99 S HA . 17279 1 784 . 1 1 72 72 SER HB2 H 1 4.010 0.003 . 2 . . . . 99 S HB2 . 17279 1 785 . 1 1 72 72 SER HB3 H 1 3.924 0.013 . 2 . . . . 99 S HB3 . 17279 1 786 . 1 1 72 72 SER C C 13 172.817 0.003 . 1 . . . . 99 S C . 17279 1 787 . 1 1 72 72 SER CA C 13 58.084 0.043 . 1 . . . . 99 S CA . 17279 1 788 . 1 1 72 72 SER CB C 13 66.039 0.064 . 1 . . . . 99 S CB . 17279 1 789 . 1 1 72 72 SER N N 15 121.290 0.035 . 1 . . . . 99 S N . 17279 1 790 . 1 1 73 73 THR H H 1 8.524 0.002 . 1 . . . . 100 T H . 17279 1 791 . 1 1 73 73 THR HA H 1 5.893 0.015 . 1 . . . . 100 T HA . 17279 1 792 . 1 1 73 73 THR HB H 1 4.095 0.012 . 1 . . . . 100 T HB . 17279 1 793 . 1 1 73 73 THR HG21 H 1 1.194 0.014 . 1 . . . . 100 T HG21 . 17279 1 794 . 1 1 73 73 THR HG22 H 1 1.194 0.014 . 1 . . . . 100 T HG21 . 17279 1 795 . 1 1 73 73 THR HG23 H 1 1.194 0.014 . 1 . . . . 100 T HG21 . 17279 1 796 . 1 1 73 73 THR C C 13 173.700 0.003 . 1 . . . . 100 T C . 17279 1 797 . 1 1 73 73 THR CA C 13 60.021 0.054 . 1 . . . . 100 T CA . 17279 1 798 . 1 1 73 73 THR CB C 13 72.256 0.047 . 1 . . . . 100 T CB . 17279 1 799 . 1 1 73 73 THR CG2 C 13 21.018 0.026 . 1 . . . . 100 T CG2 . 17279 1 800 . 1 1 73 73 THR N N 15 116.809 0.026 . 1 . . . . 100 T N . 17279 1 801 . 1 1 74 74 TRP H H 1 8.403 0.004 . 1 . . . . 101 W H . 17279 1 802 . 1 1 74 74 TRP HA H 1 5.148 0.015 . 1 . . . . 101 W HA . 17279 1 803 . 1 1 74 74 TRP HB2 H 1 3.678 0.020 . 2 . . . . 101 W HB2 . 17279 1 804 . 1 1 74 74 TRP HB3 H 1 3.405 0.016 . 2 . . . . 101 W HB3 . 17279 1 805 . 1 1 74 74 TRP HD1 H 1 7.242 0.006 . 1 . . . . 101 W HD1 . 17279 1 806 . 1 1 74 74 TRP HE1 H 1 10.278 0.002 . 1 . . . . 101 W HE1 . 17279 1 807 . 1 1 74 74 TRP HE3 H 1 6.815 0.003 . 1 . . . . 101 W HE3 . 17279 1 808 . 1 1 74 74 TRP HZ2 H 1 7.368 0.009 . 1 . . . . 101 W HZ2 . 17279 1 809 . 1 1 74 74 TRP HZ3 H 1 6.577 0.011 . 1 . . . . 101 W HZ3 . 17279 1 810 . 1 1 74 74 TRP HH2 H 1 6.698 0.010 . 1 . . . . 101 W HH2 . 17279 1 811 . 1 1 74 74 TRP C C 13 173.808 0.003 . 1 . . . . 101 W C . 17279 1 812 . 1 1 74 74 TRP CA C 13 58.102 0.056 . 1 . . . . 101 W CA . 17279 1 813 . 1 1 74 74 TRP CB C 13 31.943 0.083 . 1 . . . . 101 W CB . 17279 1 814 . 1 1 74 74 TRP CD1 C 13 127.618 0.019 . 1 . . . . 101 W CD1 . 17279 1 815 . 1 1 74 74 TRP CE3 C 13 122.100 0.003 . 1 . . . . 101 W CE3 . 17279 1 816 . 1 1 74 74 TRP CZ2 C 13 114.827 0.065 . 1 . . . . 101 W CZ2 . 17279 1 817 . 1 1 74 74 TRP CZ3 C 13 117.740 0.063 . 1 . . . . 101 W CZ3 . 17279 1 818 . 1 1 74 74 TRP CH2 C 13 124.932 0.046 . 1 . . . . 101 W CH2 . 17279 1 819 . 1 1 74 74 TRP N N 15 124.403 0.066 . 1 . . . . 101 W N . 17279 1 820 . 1 1 74 74 TRP NE1 N 15 129.249 0.018 . 1 . . . . 101 W NE1 . 17279 1 821 . 1 1 75 75 SER H H 1 8.853 0.003 . 1 . . . . 102 S H . 17279 1 822 . 1 1 75 75 SER HA H 1 5.729 0.013 . 1 . . . . 102 S HA . 17279 1 823 . 1 1 75 75 SER HB2 H 1 3.759 0.020 . 2 . . . . 102 S HB2 . 17279 1 824 . 1 1 75 75 SER HB3 H 1 3.728 0.005 . 2 . . . . 102 S HB3 . 17279 1 825 . 1 1 75 75 SER C C 13 173.070 0.003 . 1 . . . . 102 S C . 17279 1 826 . 1 1 75 75 SER CA C 13 57.009 0.042 . 1 . . . . 102 S CA . 17279 1 827 . 1 1 75 75 SER CB C 13 67.616 0.056 . 1 . . . . 102 S CB . 17279 1 828 . 1 1 75 75 SER N N 15 116.643 0.024 . 1 . . . . 102 S N . 17279 1 829 . 1 1 76 76 TYR H H 1 8.463 0.003 . 1 . . . . 103 Y H . 17279 1 830 . 1 1 76 76 TYR HA H 1 4.997 0.020 . 1 . . . . 103 Y HA . 17279 1 831 . 1 1 76 76 TYR HB2 H 1 3.421 0.012 . 2 . . . . 103 Y HB2 . 17279 1 832 . 1 1 76 76 TYR HB3 H 1 3.223 0.026 . 2 . . . . 103 Y HB3 . 17279 1 833 . 1 1 76 76 TYR HD1 H 1 6.754 0.009 . 3 . . . . 103 Y HD1 . 17279 1 834 . 1 1 76 76 TYR HE1 H 1 6.815 0.003 . 3 . . . . 103 Y HE1 . 17279 1 835 . 1 1 76 76 TYR C C 13 172.848 0.003 . 1 . . . . 103 Y C . 17279 1 836 . 1 1 76 76 TYR CA C 13 56.935 0.062 . 1 . . . . 103 Y CA . 17279 1 837 . 1 1 76 76 TYR CB C 13 39.821 0.062 . 1 . . . . 103 Y CB . 17279 1 838 . 1 1 76 76 TYR CD1 C 13 133.518 0.060 . 3 . . . . 103 Y CD1 . 17279 1 839 . 1 1 76 76 TYR CE1 C 13 118.279 0.003 . 3 . . . . 103 Y CE1 . 17279 1 840 . 1 1 76 76 TYR N N 15 117.437 0.020 . 1 . . . . 103 Y N . 17279 1 841 . 1 1 77 77 THR H H 1 8.896 0.002 . 1 . . . . 104 T H . 17279 1 842 . 1 1 77 77 THR HA H 1 5.382 0.019 . 1 . . . . 104 T HA . 17279 1 843 . 1 1 77 77 THR HB H 1 4.179 0.011 . 1 . . . . 104 T HB . 17279 1 844 . 1 1 77 77 THR HG21 H 1 1.304 0.011 . 1 . . . . 104 T HG21 . 17279 1 845 . 1 1 77 77 THR HG22 H 1 1.304 0.011 . 1 . . . . 104 T HG21 . 17279 1 846 . 1 1 77 77 THR HG23 H 1 1.304 0.011 . 1 . . . . 104 T HG21 . 17279 1 847 . 1 1 77 77 THR C C 13 173.792 0.003 . 1 . . . . 104 T C . 17279 1 848 . 1 1 77 77 THR CA C 13 61.948 0.068 . 1 . . . . 104 T CA . 17279 1 849 . 1 1 77 77 THR CB C 13 71.528 0.050 . 1 . . . . 104 T CB . 17279 1 850 . 1 1 77 77 THR CG2 C 13 22.802 0.085 . 1 . . . . 104 T CG2 . 17279 1 851 . 1 1 77 77 THR N N 15 116.569 0.046 . 1 . . . . 104 T N . 17279 1 852 . 1 1 78 78 LEU H H 1 9.480 0.002 . 1 . . . . 105 L H . 17279 1 853 . 1 1 78 78 LEU HA H 1 5.306 0.014 . 1 . . . . 105 L HA . 17279 1 854 . 1 1 78 78 LEU HB2 H 1 1.833 0.014 . 2 . . . . 105 L HB2 . 17279 1 855 . 1 1 78 78 LEU HB3 H 1 1.443 0.017 . 2 . . . . 105 L HB3 . 17279 1 856 . 1 1 78 78 LEU HG H 1 1.703 0.013 . 1 . . . . 105 L HG . 17279 1 857 . 1 1 78 78 LEU HD11 H 1 0.600 0.007 . 2 . . . . 105 L HD11 . 17279 1 858 . 1 1 78 78 LEU HD12 H 1 0.600 0.007 . 2 . . . . 105 L HD11 . 17279 1 859 . 1 1 78 78 LEU HD13 H 1 0.600 0.007 . 2 . . . . 105 L HD11 . 17279 1 860 . 1 1 78 78 LEU HD21 H 1 0.926 0.011 . 2 . . . . 105 L HD21 . 17279 1 861 . 1 1 78 78 LEU HD22 H 1 0.926 0.011 . 2 . . . . 105 L HD21 . 17279 1 862 . 1 1 78 78 LEU HD23 H 1 0.926 0.011 . 2 . . . . 105 L HD21 . 17279 1 863 . 1 1 78 78 LEU C C 13 175.205 0.003 . 1 . . . . 105 L C . 17279 1 864 . 1 1 78 78 LEU CA C 13 53.317 0.066 . 1 . . . . 105 L CA . 17279 1 865 . 1 1 78 78 LEU CB C 13 45.160 0.054 . 1 . . . . 105 L CB . 17279 1 866 . 1 1 78 78 LEU CG C 13 26.212 0.055 . 1 . . . . 105 L CG . 17279 1 867 . 1 1 78 78 LEU CD1 C 13 25.825 0.057 . 2 . . . . 105 L CD1 . 17279 1 868 . 1 1 78 78 LEU CD2 C 13 23.702 0.056 . 2 . . . . 105 L CD2 . 17279 1 869 . 1 1 78 78 LEU N N 15 125.367 0.023 . 1 . . . . 105 L N . 17279 1 870 . 1 1 79 79 ILE H H 1 9.349 0.003 . 1 . . . . 106 I H . 17279 1 871 . 1 1 79 79 ILE HA H 1 4.967 0.010 . 1 . . . . 106 I HA . 17279 1 872 . 1 1 79 79 ILE HB H 1 2.156 0.012 . 1 . . . . 106 I HB . 17279 1 873 . 1 1 79 79 ILE HG12 H 1 1.667 0.012 . 2 . . . . 106 I HG12 . 17279 1 874 . 1 1 79 79 ILE HG13 H 1 1.328 0.016 . 2 . . . . 106 I HG13 . 17279 1 875 . 1 1 79 79 ILE HG21 H 1 1.176 0.015 . 1 . . . . 106 I HG21 . 17279 1 876 . 1 1 79 79 ILE HG22 H 1 1.176 0.015 . 1 . . . . 106 I HG21 . 17279 1 877 . 1 1 79 79 ILE HG23 H 1 1.176 0.015 . 1 . . . . 106 I HG21 . 17279 1 878 . 1 1 79 79 ILE HD11 H 1 0.933 0.015 . 1 . . . . 106 I HD11 . 17279 1 879 . 1 1 79 79 ILE HD12 H 1 0.933 0.015 . 1 . . . . 106 I HD11 . 17279 1 880 . 1 1 79 79 ILE HD13 H 1 0.933 0.015 . 1 . . . . 106 I HD11 . 17279 1 881 . 1 1 79 79 ILE CA C 13 58.004 0.069 . 1 . . . . 106 I CA . 17279 1 882 . 1 1 79 79 ILE CB C 13 40.000 0.051 . 1 . . . . 106 I CB . 17279 1 883 . 1 1 79 79 ILE CG1 C 13 27.827 0.044 . 1 . . . . 106 I CG1 . 17279 1 884 . 1 1 79 79 ILE CG2 C 13 17.226 0.050 . 1 . . . . 106 I CG2 . 17279 1 885 . 1 1 79 79 ILE CD1 C 13 13.078 0.045 . 1 . . . . 106 I CD1 . 17279 1 886 . 1 1 79 79 ILE N N 15 123.377 0.044 . 1 . . . . 106 I N . 17279 1 887 . 1 1 80 80 PRO HA H 1 4.589 0.018 . 1 . . . . 107 P HA . 17279 1 888 . 1 1 80 80 PRO HB2 H 1 2.341 0.021 . 2 . . . . 107 P HB2 . 17279 1 889 . 1 1 80 80 PRO HB3 H 1 2.149 0.015 . 2 . . . . 107 P HB3 . 17279 1 890 . 1 1 80 80 PRO HG2 H 1 2.201 0.016 . 2 . . . . 107 P HG2 . 17279 1 891 . 1 1 80 80 PRO HG3 H 1 1.327 0.001 . 2 . . . . 107 P HG3 . 17279 1 892 . 1 1 80 80 PRO HD2 H 1 4.089 0.019 . 2 . . . . 107 P HD2 . 17279 1 893 . 1 1 80 80 PRO C C 13 177.404 0.003 . 1 . . . . 107 P C . 17279 1 894 . 1 1 80 80 PRO CA C 13 63.863 0.075 . 1 . . . . 107 P CA . 17279 1 895 . 1 1 80 80 PRO CB C 13 32.994 0.055 . 1 . . . . 107 P CB . 17279 1 896 . 1 1 80 80 PRO CG C 13 27.805 0.060 . 1 . . . . 107 P CG . 17279 1 897 . 1 1 80 80 PRO CD C 13 52.011 0.047 . 1 . . . . 107 P CD . 17279 1 898 . 1 1 81 81 THR H H 1 7.705 0.003 . 1 . . . . 108 T H . 17279 1 899 . 1 1 81 81 THR HA H 1 4.734 0.004 . 1 . . . . 108 T HA . 17279 1 900 . 1 1 81 81 THR HB H 1 4.500 0.001 . 1 . . . . 108 T HB . 17279 1 901 . 1 1 81 81 THR HG21 H 1 1.169 0.016 . 1 . . . . 108 T HG21 . 17279 1 902 . 1 1 81 81 THR HG22 H 1 1.169 0.016 . 1 . . . . 108 T HG21 . 17279 1 903 . 1 1 81 81 THR HG23 H 1 1.169 0.016 . 1 . . . . 108 T HG21 . 17279 1 904 . 1 1 81 81 THR C C 13 174.108 0.003 . 1 . . . . 108 T C . 17279 1 905 . 1 1 81 81 THR CA C 13 60.415 0.058 . 1 . . . . 108 T CA . 17279 1 906 . 1 1 81 81 THR CB C 13 70.164 0.043 . 1 . . . . 108 T CB . 17279 1 907 . 1 1 81 81 THR CG2 C 13 21.770 0.079 . 1 . . . . 108 T CG2 . 17279 1 908 . 1 1 81 81 THR N N 15 111.825 0.037 . 1 . . . . 108 T N . 17279 1 909 . 1 1 82 82 ASN H H 1 8.242 0.003 . 1 . . . . 109 N H . 17279 1 910 . 1 1 82 82 ASN HA H 1 4.640 0.011 . 1 . . . . 109 N HA . 17279 1 911 . 1 1 82 82 ASN HB2 H 1 3.012 0.042 . 2 . . . . 109 N HB2 . 17279 1 912 . 1 1 82 82 ASN HB3 H 1 2.945 0.025 . 2 . . . . 109 N HB3 . 17279 1 913 . 1 1 82 82 ASN HD21 H 1 7.499 0.001 . 2 . . . . 109 N HD21 . 17279 1 914 . 1 1 82 82 ASN HD22 H 1 6.831 0.002 . 2 . . . . 109 N HD22 . 17279 1 915 . 1 1 82 82 ASN C C 13 174.865 0.003 . 1 . . . . 109 N C . 17279 1 916 . 1 1 82 82 ASN CA C 13 54.302 0.048 . 1 . . . . 109 N CA . 17279 1 917 . 1 1 82 82 ASN CB C 13 38.051 0.016 . 1 . . . . 109 N CB . 17279 1 918 . 1 1 82 82 ASN N N 15 115.482 0.024 . 1 . . . . 109 N N . 17279 1 919 . 1 1 82 82 ASN ND2 N 15 111.863 0.056 . 1 . . . . 109 N ND2 . 17279 1 920 . 1 1 83 83 LYS H H 1 7.847 0.003 . 1 . . . . 110 K H . 17279 1 921 . 1 1 83 83 LYS HA H 1 4.811 0.005 . 1 . . . . 110 K HA . 17279 1 922 . 1 1 83 83 LYS HB2 H 1 1.598 0.035 . 2 . . . . 110 K HB2 . 17279 1 923 . 1 1 83 83 LYS HB3 H 1 1.453 0.023 . 2 . . . . 110 K HB3 . 17279 1 924 . 1 1 83 83 LYS HG2 H 1 1.403 0.001 . 2 . . . . 110 K HG2 . 17279 1 925 . 1 1 83 83 LYS HG3 H 1 1.334 0.024 . 2 . . . . 110 K HG3 . 17279 1 926 . 1 1 83 83 LYS HD2 H 1 1.594 0.015 . 2 . . . . 110 K HD2 . 17279 1 927 . 1 1 83 83 LYS HE2 H 1 2.958 0.014 . 2 . . . . 110 K HE2 . 17279 1 928 . 1 1 83 83 LYS CA C 13 53.087 0.047 . 1 . . . . 110 K CA . 17279 1 929 . 1 1 83 83 LYS CB C 13 33.395 0.053 . 1 . . . . 110 K CB . 17279 1 930 . 1 1 83 83 LYS CG C 13 24.736 0.076 . 1 . . . . 110 K CG . 17279 1 931 . 1 1 83 83 LYS CD C 13 29.165 0.032 . 1 . . . . 110 K CD . 17279 1 932 . 1 1 83 83 LYS CE C 13 42.462 0.080 . 1 . . . . 110 K CE . 17279 1 933 . 1 1 83 83 LYS N N 15 121.851 0.023 . 1 . . . . 110 K N . 17279 1 934 . 1 1 84 84 PRO HA H 1 4.308 0.015 . 1 . . . . 111 P HA . 17279 1 935 . 1 1 84 84 PRO HB2 H 1 2.163 0.015 . 2 . . . . 111 P HB2 . 17279 1 936 . 1 1 84 84 PRO HB3 H 1 1.678 0.014 . 2 . . . . 111 P HB3 . 17279 1 937 . 1 1 84 84 PRO HG2 H 1 2.032 0.015 . 2 . . . . 111 P HG2 . 17279 1 938 . 1 1 84 84 PRO HD2 H 1 3.957 0.037 . 2 . . . . 111 P HD2 . 17279 1 939 . 1 1 84 84 PRO HD3 H 1 3.685 0.069 . 2 . . . . 111 P HD3 . 17279 1 940 . 1 1 84 84 PRO C C 13 177.774 0.003 . 1 . . . . 111 P C . 17279 1 941 . 1 1 84 84 PRO CA C 13 63.670 0.097 . 1 . . . . 111 P CA . 17279 1 942 . 1 1 84 84 PRO CB C 13 32.172 0.070 . 1 . . . . 111 P CB . 17279 1 943 . 1 1 84 84 PRO CG C 13 27.747 0.095 . 1 . . . . 111 P CG . 17279 1 944 . 1 1 84 84 PRO CD C 13 51.169 0.081 . 1 . . . . 111 P CD . 17279 1 945 . 1 1 85 85 GLY H H 1 8.492 0.003 . 1 . . . . 112 G H . 17279 1 946 . 1 1 85 85 GLY HA2 H 1 3.470 0.010 . 2 . . . . 112 G HA2 . 17279 1 947 . 1 1 85 85 GLY HA3 H 1 2.105 0.020 . 2 . . . . 112 G HA3 . 17279 1 948 . 1 1 85 85 GLY C C 13 170.605 0.003 . 1 . . . . 112 G C . 17279 1 949 . 1 1 85 85 GLY CA C 13 45.816 0.079 . 1 . . . . 112 G CA . 17279 1 950 . 1 1 85 85 GLY N N 15 111.572 0.027 . 1 . . . . 112 G N . 17279 1 951 . 1 1 86 86 GLN H H 1 7.284 0.003 . 1 . . . . 113 Q H . 17279 1 952 . 1 1 86 86 GLN HA H 1 5.150 0.042 . 1 . . . . 113 Q HA . 17279 1 953 . 1 1 86 86 GLN HB2 H 1 2.154 0.023 . 2 . . . . 113 Q HB2 . 17279 1 954 . 1 1 86 86 GLN HB3 H 1 1.638 0.017 . 2 . . . . 113 Q HB3 . 17279 1 955 . 1 1 86 86 GLN HG2 H 1 2.178 0.023 . 2 . . . . 113 Q HG2 . 17279 1 956 . 1 1 86 86 GLN HG3 H 1 2.115 0.023 . 2 . . . . 113 Q HG3 . 17279 1 957 . 1 1 86 86 GLN HE21 H 1 7.368 0.002 . 2 . . . . 113 Q HE21 . 17279 1 958 . 1 1 86 86 GLN HE22 H 1 6.793 0.002 . 2 . . . . 113 Q HE22 . 17279 1 959 . 1 1 86 86 GLN C C 13 174.562 0.003 . 1 . . . . 113 Q C . 17279 1 960 . 1 1 86 86 GLN CA C 13 54.931 0.072 . 1 . . . . 113 Q CA . 17279 1 961 . 1 1 86 86 GLN CB C 13 30.376 0.053 . 1 . . . . 113 Q CB . 17279 1 962 . 1 1 86 86 GLN CG C 13 35.090 0.061 . 1 . . . . 113 Q CG . 17279 1 963 . 1 1 86 86 GLN N N 15 119.178 0.034 . 1 . . . . 113 Q N . 17279 1 964 . 1 1 86 86 GLN NE2 N 15 111.613 0.055 . 1 . . . . 113 Q NE2 . 17279 1 965 . 1 1 87 87 PHE H H 1 9.405 0.003 . 1 . . . . 114 F H . 17279 1 966 . 1 1 87 87 PHE HA H 1 5.518 0.010 . 1 . . . . 114 F HA . 17279 1 967 . 1 1 87 87 PHE HB2 H 1 3.143 0.018 . 2 . . . . 114 F HB2 . 17279 1 968 . 1 1 87 87 PHE HB3 H 1 2.685 0.013 . 2 . . . . 114 F HB3 . 17279 1 969 . 1 1 87 87 PHE HD1 H 1 6.853 0.009 . 3 . . . . 114 F HD1 . 17279 1 970 . 1 1 87 87 PHE HE1 H 1 6.953 0.013 . 3 . . . . 114 F HE1 . 17279 1 971 . 1 1 87 87 PHE HZ H 1 7.313 0.003 . 1 . . . . 114 F HZ . 17279 1 972 . 1 1 87 87 PHE C C 13 175.232 0.003 . 1 . . . . 114 F C . 17279 1 973 . 1 1 87 87 PHE CA C 13 56.819 0.060 . 1 . . . . 114 F CA . 17279 1 974 . 1 1 87 87 PHE CB C 13 46.451 0.060 . 1 . . . . 114 F CB . 17279 1 975 . 1 1 87 87 PHE CD1 C 13 132.316 0.063 . 3 . . . . 114 F CD1 . 17279 1 976 . 1 1 87 87 PHE CE1 C 13 130.759 0.066 . 3 . . . . 114 F CE1 . 17279 1 977 . 1 1 87 87 PHE CZ C 13 130.287 0.003 . 1 . . . . 114 F CZ . 17279 1 978 . 1 1 87 87 PHE N N 15 123.390 0.051 . 1 . . . . 114 F N . 17279 1 979 . 1 1 88 88 THR H H 1 9.524 0.003 . 1 . . . . 115 T H . 17279 1 980 . 1 1 88 88 THR HA H 1 5.302 0.019 . 1 . . . . 115 T HA . 17279 1 981 . 1 1 88 88 THR HB H 1 4.185 0.021 . 1 . . . . 115 T HB . 17279 1 982 . 1 1 88 88 THR HG21 H 1 1.271 0.023 . 1 . . . . 115 T HG21 . 17279 1 983 . 1 1 88 88 THR HG22 H 1 1.271 0.023 . 1 . . . . 115 T HG21 . 17279 1 984 . 1 1 88 88 THR HG23 H 1 1.271 0.023 . 1 . . . . 115 T HG21 . 17279 1 985 . 1 1 88 88 THR C C 13 173.785 0.003 . 1 . . . . 115 T C . 17279 1 986 . 1 1 88 88 THR CA C 13 60.600 0.067 . 1 . . . . 115 T CA . 17279 1 987 . 1 1 88 88 THR CB C 13 71.556 0.048 . 1 . . . . 115 T CB . 17279 1 988 . 1 1 88 88 THR CG2 C 13 21.829 0.049 . 1 . . . . 115 T CG2 . 17279 1 989 . 1 1 88 88 THR N N 15 114.701 0.035 . 1 . . . . 115 T N . 17279 1 990 . 1 1 89 89 ARG H H 1 8.342 0.004 . 1 . . . . 116 R H . 17279 1 991 . 1 1 89 89 ARG HA H 1 5.008 0.017 . 1 . . . . 116 R HA . 17279 1 992 . 1 1 89 89 ARG HB2 H 1 1.979 0.008 . 2 . . . . 116 R HB2 . 17279 1 993 . 1 1 89 89 ARG HB3 H 1 1.507 0.015 . 2 . . . . 116 R HB3 . 17279 1 994 . 1 1 89 89 ARG HG2 H 1 1.591 0.016 . 2 . . . . 116 R HG2 . 17279 1 995 . 1 1 89 89 ARG HD2 H 1 2.853 0.014 . 2 . . . . 116 R HD2 . 17279 1 996 . 1 1 89 89 ARG HD3 H 1 2.597 0.018 . 2 . . . . 116 R HD3 . 17279 1 997 . 1 1 89 89 ARG C C 13 175.827 0.003 . 1 . . . . 116 R C . 17279 1 998 . 1 1 89 89 ARG CA C 13 56.163 0.060 . 1 . . . . 116 R CA . 17279 1 999 . 1 1 89 89 ARG CB C 13 32.414 0.052 . 1 . . . . 116 R CB . 17279 1 1000 . 1 1 89 89 ARG CG C 13 27.258 0.047 . 1 . . . . 116 R CG . 17279 1 1001 . 1 1 89 89 ARG CD C 13 43.801 0.042 . 1 . . . . 116 R CD . 17279 1 1002 . 1 1 89 89 ARG N N 15 124.093 0.018 . 1 . . . . 116 R N . 17279 1 1003 . 1 1 90 90 ASP H H 1 8.861 0.004 . 1 . . . . 117 D H . 17279 1 1004 . 1 1 90 90 ASP HA H 1 4.723 0.031 . 1 . . . . 117 D HA . 17279 1 1005 . 1 1 90 90 ASP HB2 H 1 2.987 0.016 . 2 . . . . 117 D HB2 . 17279 1 1006 . 1 1 90 90 ASP HB3 H 1 2.641 0.013 . 2 . . . . 117 D HB3 . 17279 1 1007 . 1 1 90 90 ASP C C 13 175.785 0.003 . 1 . . . . 117 D C . 17279 1 1008 . 1 1 90 90 ASP CA C 13 54.740 0.052 . 1 . . . . 117 D CA . 17279 1 1009 . 1 1 90 90 ASP CB C 13 41.969 0.060 . 1 . . . . 117 D CB . 17279 1 1010 . 1 1 90 90 ASP N N 15 126.448 0.027 . 1 . . . . 117 D N . 17279 1 1011 . 1 1 91 91 ASN H H 1 8.613 0.003 . 1 . . . . 118 N H . 17279 1 1012 . 1 1 91 91 ASN HA H 1 5.048 0.008 . 1 . . . . 118 N HA . 17279 1 1013 . 1 1 91 91 ASN HB2 H 1 2.992 0.016 . 2 . . . . 118 N HB2 . 17279 1 1014 . 1 1 91 91 ASN HB3 H 1 2.926 0.018 . 2 . . . . 118 N HB3 . 17279 1 1015 . 1 1 91 91 ASN HD21 H 1 7.485 0.003 . 2 . . . . 118 N HD21 . 17279 1 1016 . 1 1 91 91 ASN HD22 H 1 6.885 0.003 . 2 . . . . 118 N HD22 . 17279 1 1017 . 1 1 91 91 ASN C C 13 175.952 0.003 . 1 . . . . 118 N C . 17279 1 1018 . 1 1 91 91 ASN CA C 13 53.128 0.049 . 1 . . . . 118 N CA . 17279 1 1019 . 1 1 91 91 ASN CB C 13 39.566 0.052 . 1 . . . . 118 N CB . 17279 1 1020 . 1 1 91 91 ASN N N 15 124.592 0.020 . 1 . . . . 118 N N . 17279 1 1021 . 1 1 91 91 ASN ND2 N 15 112.174 0.034 . 1 . . . . 118 N ND2 . 17279 1 1022 . 1 1 92 92 ARG H H 1 8.417 0.003 . 1 . . . . 119 R H . 17279 1 1023 . 1 1 92 92 ARG HA H 1 4.281 0.016 . 1 . . . . 119 R HA . 17279 1 1024 . 1 1 92 92 ARG HB2 H 1 1.996 0.011 . 2 . . . . 119 R HB2 . 17279 1 1025 . 1 1 92 92 ARG HG2 H 1 1.816 0.019 . 2 . . . . 119 R HG2 . 17279 1 1026 . 1 1 92 92 ARG HG3 H 1 1.779 0.016 . 2 . . . . 119 R HG3 . 17279 1 1027 . 1 1 92 92 ARG HD2 H 1 3.328 0.019 . 2 . . . . 119 R HD2 . 17279 1 1028 . 1 1 92 92 ARG C C 13 177.359 0.003 . 1 . . . . 119 R C . 17279 1 1029 . 1 1 92 92 ARG CA C 13 58.114 0.047 . 1 . . . . 119 R CA . 17279 1 1030 . 1 1 92 92 ARG CB C 13 30.294 0.069 . 1 . . . . 119 R CB . 17279 1 1031 . 1 1 92 92 ARG CG C 13 27.373 0.050 . 1 . . . . 119 R CG . 17279 1 1032 . 1 1 92 92 ARG CD C 13 43.689 0.068 . 1 . . . . 119 R CD . 17279 1 1033 . 1 1 92 92 ARG N N 15 121.646 0.017 . 1 . . . . 119 R N . 17279 1 1034 . 1 1 93 93 GLY H H 1 8.608 0.003 . 1 . . . . 120 G H . 17279 1 1035 . 1 1 93 93 GLY HA2 H 1 4.103 0.021 . 2 . . . . 120 G HA2 . 17279 1 1036 . 1 1 93 93 GLY HA3 H 1 4.064 0.044 . 2 . . . . 120 G HA3 . 17279 1 1037 . 1 1 93 93 GLY C C 13 174.465 0.003 . 1 . . . . 120 G C . 17279 1 1038 . 1 1 93 93 GLY CA C 13 45.729 0.031 . 1 . . . . 120 G CA . 17279 1 1039 . 1 1 93 93 GLY N N 15 109.955 0.017 . 1 . . . . 120 G N . 17279 1 1040 . 1 1 94 94 SER H H 1 7.987 0.003 . 1 . . . . 121 S H . 17279 1 1041 . 1 1 94 94 SER HA H 1 4.615 0.007 . 1 . . . . 121 S HA . 17279 1 1042 . 1 1 94 94 SER HB2 H 1 4.011 0.002 . 2 . . . . 121 S HB2 . 17279 1 1043 . 1 1 94 94 SER HB3 H 1 3.973 0.010 . 2 . . . . 121 S HB3 . 17279 1 1044 . 1 1 94 94 SER C C 13 174.457 0.003 . 1 . . . . 121 S C . 17279 1 1045 . 1 1 94 94 SER CA C 13 58.737 0.059 . 1 . . . . 121 S CA . 17279 1 1046 . 1 1 94 94 SER CB C 13 64.599 0.061 . 1 . . . . 121 S CB . 17279 1 1047 . 1 1 94 94 SER N N 15 115.121 0.020 . 1 . . . . 121 S N . 17279 1 1048 . 1 1 95 95 GLY H H 1 8.245 0.005 . 1 . . . . 122 G H . 17279 1 1049 . 1 1 95 95 GLY HA2 H 1 4.228 0.043 . 2 . . . . 122 G HA2 . 17279 1 1050 . 1 1 95 95 GLY HA3 H 1 4.191 0.003 . 2 . . . . 122 G HA3 . 17279 1 1051 . 1 1 95 95 GLY CA C 13 44.944 0.040 . 1 . . . . 122 G CA . 17279 1 1052 . 1 1 95 95 GLY N N 15 110.300 0.018 . 1 . . . . 122 G N . 17279 1 1053 . 1 1 96 96 PRO HA H 1 4.492 0.010 . 1 . . . . 123 P HA . 17279 1 1054 . 1 1 96 96 PRO HB2 H 1 2.340 0.001 . 2 . . . . 123 P HB2 . 17279 1 1055 . 1 1 96 96 PRO HB3 H 1 2.002 0.008 . 2 . . . . 123 P HB3 . 17279 1 1056 . 1 1 96 96 PRO HG2 H 1 2.085 0.005 . 2 . . . . 123 P HG2 . 17279 1 1057 . 1 1 96 96 PRO HD2 H 1 3.750 0.002 . 2 . . . . 123 P HD2 . 17279 1 1058 . 1 1 96 96 PRO HD3 H 1 3.718 0.007 . 2 . . . . 123 P HD3 . 17279 1 1059 . 1 1 96 96 PRO C C 13 177.864 0.003 . 1 . . . . 123 P C . 17279 1 1060 . 1 1 96 96 PRO CA C 13 64.019 0.058 . 1 . . . . 123 P CA . 17279 1 1061 . 1 1 96 96 PRO CB C 13 32.166 0.026 . 1 . . . . 123 P CB . 17279 1 1062 . 1 1 96 96 PRO CG C 13 27.530 0.041 . 1 . . . . 123 P CG . 17279 1 1063 . 1 1 96 96 PRO CD C 13 50.104 0.020 . 1 . . . . 123 P CD . 17279 1 1064 . 1 1 97 97 GLY H H 1 8.530 0.003 . 1 . . . . 124 G H . 17279 1 1065 . 1 1 97 97 GLY HA2 H 1 3.990 0.015 . 2 . . . . 124 G HA2 . 17279 1 1066 . 1 1 97 97 GLY C C 13 174.026 0.003 . 1 . . . . 124 G C . 17279 1 1067 . 1 1 97 97 GLY CA C 13 45.739 0.034 . 1 . . . . 124 G CA . 17279 1 1068 . 1 1 97 97 GLY N N 15 109.466 0.012 . 1 . . . . 124 G N . 17279 1 1069 . 1 1 98 98 ALA H H 1 7.632 0.004 . 1 . . . . 125 A H . 17279 1 1070 . 1 1 98 98 ALA HA H 1 4.344 0.027 . 1 . . . . 125 A HA . 17279 1 1071 . 1 1 98 98 ALA HB1 H 1 1.429 0.013 . 1 . . . . 125 A HB1 . 17279 1 1072 . 1 1 98 98 ALA HB2 H 1 1.429 0.013 . 1 . . . . 125 A HB1 . 17279 1 1073 . 1 1 98 98 ALA HB3 H 1 1.429 0.013 . 1 . . . . 125 A HB1 . 17279 1 1074 . 1 1 98 98 ALA C C 13 177.079 0.003 . 1 . . . . 125 A C . 17279 1 1075 . 1 1 98 98 ALA CA C 13 52.636 0.046 . 1 . . . . 125 A CA . 17279 1 1076 . 1 1 98 98 ALA CB C 13 19.791 0.043 . 1 . . . . 125 A CB . 17279 1 1077 . 1 1 98 98 ALA N N 15 123.068 0.022 . 1 . . . . 125 A N . 17279 1 1078 . 1 1 99 99 ASP H H 1 8.215 0.003 . 1 . . . . 126 D H . 17279 1 1079 . 1 1 99 99 ASP HA H 1 4.735 0.001 . 1 . . . . 126 D HA . 17279 1 1080 . 1 1 99 99 ASP HB2 H 1 2.701 0.033 . 2 . . . . 126 D HB2 . 17279 1 1081 . 1 1 99 99 ASP HB3 H 1 2.641 0.020 . 2 . . . . 126 D HB3 . 17279 1 1082 . 1 1 99 99 ASP C C 13 175.625 0.003 . 1 . . . . 126 D C . 17279 1 1083 . 1 1 99 99 ASP CA C 13 54.506 0.071 . 1 . . . . 126 D CA . 17279 1 1084 . 1 1 99 99 ASP CB C 13 41.300 0.048 . 1 . . . . 126 D CB . 17279 1 1085 . 1 1 99 99 ASP N N 15 120.319 0.023 . 1 . . . . 126 D N . 17279 1 1086 . 1 1 100 100 LYS H H 1 8.151 0.003 . 1 . . . . 127 K H . 17279 1 1087 . 1 1 100 100 LYS HA H 1 4.647 0.008 . 1 . . . . 127 K HA . 17279 1 1088 . 1 1 100 100 LYS HB2 H 1 1.928 0.001 . 2 . . . . 127 K HB2 . 17279 1 1089 . 1 1 100 100 LYS HB3 H 1 1.831 0.021 . 2 . . . . 127 K HB3 . 17279 1 1090 . 1 1 100 100 LYS HG2 H 1 1.526 0.019 . 2 . . . . 127 K HG2 . 17279 1 1091 . 1 1 100 100 LYS HD2 H 1 1.751 0.011 . 2 . . . . 127 K HD2 . 17279 1 1092 . 1 1 100 100 LYS HE2 H 1 3.069 0.019 . 2 . . . . 127 K HE2 . 17279 1 1093 . 1 1 100 100 LYS C C 13 175.462 0.003 . 1 . . . . 127 K C . 17279 1 1094 . 1 1 100 100 LYS CA C 13 55.976 0.064 . 1 . . . . 127 K CA . 17279 1 1095 . 1 1 100 100 LYS CB C 13 34.494 0.060 . 1 . . . . 127 K CB . 17279 1 1096 . 1 1 100 100 LYS CG C 13 25.055 0.062 . 1 . . . . 127 K CG . 17279 1 1097 . 1 1 100 100 LYS CD C 13 29.491 0.058 . 1 . . . . 127 K CD . 17279 1 1098 . 1 1 100 100 LYS CE C 13 42.432 0.051 . 1 . . . . 127 K CE . 17279 1 1099 . 1 1 100 100 LYS N N 15 121.388 0.018 . 1 . . . . 127 K N . 17279 1 1100 . 1 1 101 101 GLU H H 1 8.714 0.003 . 1 . . . . 128 E H . 17279 1 1101 . 1 1 101 101 GLU HA H 1 5.117 0.013 . 1 . . . . 128 E HA . 17279 1 1102 . 1 1 101 101 GLU HB2 H 1 1.874 0.016 . 2 . . . . 128 E HB2 . 17279 1 1103 . 1 1 101 101 GLU HB3 H 1 1.815 0.017 . 2 . . . . 128 E HB3 . 17279 1 1104 . 1 1 101 101 GLU HG2 H 1 2.096 0.006 . 2 . . . . 128 E HG2 . 17279 1 1105 . 1 1 101 101 GLU HG3 H 1 2.008 0.028 . 2 . . . . 128 E HG3 . 17279 1 1106 . 1 1 101 101 GLU C C 13 173.799 0.003 . 1 . . . . 128 E C . 17279 1 1107 . 1 1 101 101 GLU CA C 13 55.812 0.054 . 1 . . . . 128 E CA . 17279 1 1108 . 1 1 101 101 GLU CB C 13 33.367 0.050 . 1 . . . . 128 E CB . 17279 1 1109 . 1 1 101 101 GLU CG C 13 35.890 0.093 . 1 . . . . 128 E CG . 17279 1 1110 . 1 1 101 101 GLU N N 15 123.777 0.033 . 1 . . . . 128 E N . 17279 1 1111 . 1 1 102 102 ASN H H 1 8.659 0.003 . 1 . . . . 129 N H . 17279 1 1112 . 1 1 102 102 ASN HA H 1 5.418 0.011 . 1 . . . . 129 N HA . 17279 1 1113 . 1 1 102 102 ASN HB2 H 1 2.820 0.027 . 2 . . . . 129 N HB2 . 17279 1 1114 . 1 1 102 102 ASN HB3 H 1 2.782 0.013 . 2 . . . . 129 N HB3 . 17279 1 1115 . 1 1 102 102 ASN HD21 H 1 7.310 0.006 . 2 . . . . 129 N HD21 . 17279 1 1116 . 1 1 102 102 ASN HD22 H 1 6.657 0.001 . 2 . . . . 129 N HD22 . 17279 1 1117 . 1 1 102 102 ASN C C 13 173.786 0.003 . 1 . . . . 129 N C . 17279 1 1118 . 1 1 102 102 ASN CA C 13 52.706 0.058 . 1 . . . . 129 N CA . 17279 1 1119 . 1 1 102 102 ASN CB C 13 41.960 0.036 . 1 . . . . 129 N CB . 17279 1 1120 . 1 1 102 102 ASN N N 15 124.926 0.036 . 1 . . . . 129 N N . 17279 1 1121 . 1 1 102 102 ASN ND2 N 15 110.998 0.021 . 1 . . . . 129 N ND2 . 17279 1 1122 . 1 1 103 103 ILE H H 1 8.996 0.003 . 1 . . . . 130 I H . 17279 1 1123 . 1 1 103 103 ILE HA H 1 5.049 0.018 . 1 . . . . 130 I HA . 17279 1 1124 . 1 1 103 103 ILE HB H 1 1.673 0.013 . 1 . . . . 130 I HB . 17279 1 1125 . 1 1 103 103 ILE HG12 H 1 1.485 0.016 . 2 . . . . 130 I HG12 . 17279 1 1126 . 1 1 103 103 ILE HG13 H 1 1.221 0.011 . 2 . . . . 130 I HG13 . 17279 1 1127 . 1 1 103 103 ILE HG21 H 1 0.795 0.017 . 1 . . . . 130 I HG21 . 17279 1 1128 . 1 1 103 103 ILE HG22 H 1 0.795 0.017 . 1 . . . . 130 I HG21 . 17279 1 1129 . 1 1 103 103 ILE HG23 H 1 0.795 0.017 . 1 . . . . 130 I HG21 . 17279 1 1130 . 1 1 103 103 ILE HD11 H 1 0.821 0.011 . 1 . . . . 130 I HD11 . 17279 1 1131 . 1 1 103 103 ILE HD12 H 1 0.821 0.011 . 1 . . . . 130 I HD11 . 17279 1 1132 . 1 1 103 103 ILE HD13 H 1 0.821 0.011 . 1 . . . . 130 I HD11 . 17279 1 1133 . 1 1 103 103 ILE C C 13 173.811 0.003 . 1 . . . . 130 I C . 17279 1 1134 . 1 1 103 103 ILE CA C 13 60.206 0.060 . 1 . . . . 130 I CA . 17279 1 1135 . 1 1 103 103 ILE CB C 13 41.793 0.041 . 1 . . . . 130 I CB . 17279 1 1136 . 1 1 103 103 ILE CG1 C 13 29.368 0.053 . 1 . . . . 130 I CG1 . 17279 1 1137 . 1 1 103 103 ILE CG2 C 13 18.056 0.065 . 1 . . . . 130 I CG2 . 17279 1 1138 . 1 1 103 103 ILE CD1 C 13 14.650 0.045 . 1 . . . . 130 I CD1 . 17279 1 1139 . 1 1 103 103 ILE N N 15 124.175 0.034 . 1 . . . . 130 I N . 17279 1 1140 . 1 1 104 104 GLN H H 1 9.376 0.003 . 1 . . . . 131 Q H . 17279 1 1141 . 1 1 104 104 GLN HA H 1 5.178 0.015 . 1 . . . . 131 Q HA . 17279 1 1142 . 1 1 104 104 GLN HB2 H 1 1.939 0.012 . 2 . . . . 131 Q HB2 . 17279 1 1143 . 1 1 104 104 GLN HG2 H 1 2.011 0.013 . 2 . . . . 131 Q HG2 . 17279 1 1144 . 1 1 104 104 GLN HE21 H 1 7.441 0.002 . 2 . . . . 131 Q HE21 . 17279 1 1145 . 1 1 104 104 GLN HE22 H 1 6.510 0.001 . 2 . . . . 131 Q HE22 . 17279 1 1146 . 1 1 104 104 GLN C C 13 175.043 0.003 . 1 . . . . 131 Q C . 17279 1 1147 . 1 1 104 104 GLN CA C 13 53.825 0.057 . 1 . . . . 131 Q CA . 17279 1 1148 . 1 1 104 104 GLN CB C 13 32.557 0.062 . 1 . . . . 131 Q CB . 17279 1 1149 . 1 1 104 104 GLN CG C 13 33.806 0.058 . 1 . . . . 131 Q CG . 17279 1 1150 . 1 1 104 104 GLN N N 15 125.580 0.030 . 1 . . . . 131 Q N . 17279 1 1151 . 1 1 104 104 GLN NE2 N 15 109.326 0.036 . 1 . . . . 131 Q NE2 . 17279 1 1152 . 1 1 105 105 VAL H H 1 8.959 0.004 . 1 . . . . 132 V H . 17279 1 1153 . 1 1 105 105 VAL HA H 1 3.989 0.016 . 1 . . . . 132 V HA . 17279 1 1154 . 1 1 105 105 VAL HB H 1 1.747 0.014 . 1 . . . . 132 V HB . 17279 1 1155 . 1 1 105 105 VAL HG11 H 1 0.614 0.015 . 2 . . . . 132 V HG11 . 17279 1 1156 . 1 1 105 105 VAL HG12 H 1 0.614 0.015 . 2 . . . . 132 V HG11 . 17279 1 1157 . 1 1 105 105 VAL HG13 H 1 0.614 0.015 . 2 . . . . 132 V HG11 . 17279 1 1158 . 1 1 105 105 VAL HG21 H 1 0.313 0.013 . 2 . . . . 132 V HG21 . 17279 1 1159 . 1 1 105 105 VAL HG22 H 1 0.313 0.013 . 2 . . . . 132 V HG21 . 17279 1 1160 . 1 1 105 105 VAL HG23 H 1 0.313 0.013 . 2 . . . . 132 V HG21 . 17279 1 1161 . 1 1 105 105 VAL C C 13 174.617 0.003 . 1 . . . . 132 V C . 17279 1 1162 . 1 1 105 105 VAL CA C 13 63.374 0.057 . 1 . . . . 132 V CA . 17279 1 1163 . 1 1 105 105 VAL CB C 13 30.381 0.088 . 1 . . . . 132 V CB . 17279 1 1164 . 1 1 105 105 VAL CG1 C 13 21.752 0.041 . 2 . . . . 132 V CG1 . 17279 1 1165 . 1 1 105 105 VAL CG2 C 13 19.922 0.046 . 2 . . . . 132 V CG2 . 17279 1 1166 . 1 1 105 105 VAL N N 15 127.598 0.047 . 1 . . . . 132 V N . 17279 1 1167 . 1 1 106 106 ILE H H 1 8.622 0.002 . 1 . . . . 133 I H . 17279 1 1168 . 1 1 106 106 ILE HA H 1 3.962 0.014 . 1 . . . . 133 I HA . 17279 1 1169 . 1 1 106 106 ILE HB H 1 1.752 0.015 . 1 . . . . 133 I HB . 17279 1 1170 . 1 1 106 106 ILE HG12 H 1 1.589 0.015 . 2 . . . . 133 I HG12 . 17279 1 1171 . 1 1 106 106 ILE HG13 H 1 1.227 0.013 . 2 . . . . 133 I HG13 . 17279 1 1172 . 1 1 106 106 ILE HG21 H 1 0.855 0.011 . 1 . . . . 133 I HG21 . 17279 1 1173 . 1 1 106 106 ILE HG22 H 1 0.855 0.011 . 1 . . . . 133 I HG21 . 17279 1 1174 . 1 1 106 106 ILE HG23 H 1 0.855 0.011 . 1 . . . . 133 I HG21 . 17279 1 1175 . 1 1 106 106 ILE HD11 H 1 0.621 0.014 . 1 . . . . 133 I HD11 . 17279 1 1176 . 1 1 106 106 ILE HD12 H 1 0.621 0.014 . 1 . . . . 133 I HD11 . 17279 1 1177 . 1 1 106 106 ILE HD13 H 1 0.621 0.014 . 1 . . . . 133 I HD11 . 17279 1 1178 . 1 1 106 106 ILE C C 13 175.747 0.003 . 1 . . . . 133 I C . 17279 1 1179 . 1 1 106 106 ILE CA C 13 60.754 0.097 . 1 . . . . 133 I CA . 17279 1 1180 . 1 1 106 106 ILE CB C 13 37.419 0.037 . 1 . . . . 133 I CB . 17279 1 1181 . 1 1 106 106 ILE CG1 C 13 27.230 0.053 . 1 . . . . 133 I CG1 . 17279 1 1182 . 1 1 106 106 ILE CG2 C 13 17.485 0.053 . 1 . . . . 133 I CG2 . 17279 1 1183 . 1 1 106 106 ILE CD1 C 13 9.308 0.057 . 1 . . . . 133 I CD1 . 17279 1 1184 . 1 1 106 106 ILE N N 15 130.448 0.032 . 1 . . . . 133 I N . 17279 1 1185 . 1 1 107 107 GLU H H 1 7.144 0.004 . 1 . . . . 134 E H . 17279 1 1186 . 1 1 107 107 GLU HA H 1 4.734 0.002 . 1 . . . . 134 E HA . 17279 1 1187 . 1 1 107 107 GLU HB2 H 1 2.286 0.013 . 2 . . . . 134 E HB2 . 17279 1 1188 . 1 1 107 107 GLU HB3 H 1 2.259 0.011 . 2 . . . . 134 E HB3 . 17279 1 1189 . 1 1 107 107 GLU HG2 H 1 2.547 0.003 . 2 . . . . 134 E HG2 . 17279 1 1190 . 1 1 107 107 GLU HG3 H 1 2.472 0.036 . 2 . . . . 134 E HG3 . 17279 1 1191 . 1 1 107 107 GLU C C 13 174.139 0.003 . 1 . . . . 134 E C . 17279 1 1192 . 1 1 107 107 GLU CA C 13 55.766 0.044 . 1 . . . . 134 E CA . 17279 1 1193 . 1 1 107 107 GLU CB C 13 34.655 0.056 . 1 . . . . 134 E CB . 17279 1 1194 . 1 1 107 107 GLU CG C 13 36.624 0.031 . 1 . . . . 134 E CG . 17279 1 1195 . 1 1 107 107 GLU N N 15 113.908 0.041 . 1 . . . . 134 E N . 17279 1 1196 . 1 1 108 108 THR H H 1 8.372 0.003 . 1 . . . . 135 T H . 17279 1 1197 . 1 1 108 108 THR HA H 1 4.032 0.010 . 1 . . . . 135 T HA . 17279 1 1198 . 1 1 108 108 THR HB H 1 4.139 0.012 . 1 . . . . 135 T HB . 17279 1 1199 . 1 1 108 108 THR HG21 H 1 0.417 0.010 . 1 . . . . 135 T HG21 . 17279 1 1200 . 1 1 108 108 THR HG22 H 1 0.417 0.010 . 1 . . . . 135 T HG21 . 17279 1 1201 . 1 1 108 108 THR HG23 H 1 0.417 0.010 . 1 . . . . 135 T HG21 . 17279 1 1202 . 1 1 108 108 THR C C 13 169.618 0.003 . 1 . . . . 135 T C . 17279 1 1203 . 1 1 108 108 THR CA C 13 60.553 0.056 . 1 . . . . 135 T CA . 17279 1 1204 . 1 1 108 108 THR CB C 13 69.354 0.053 . 1 . . . . 135 T CB . 17279 1 1205 . 1 1 108 108 THR CG2 C 13 17.228 0.032 . 1 . . . . 135 T CG2 . 17279 1 1206 . 1 1 108 108 THR N N 15 116.916 0.026 . 1 . . . . 135 T N . 17279 1 1207 . 1 1 109 109 ASP H H 1 7.161 0.005 . 1 . . . . 136 D H . 17279 1 1208 . 1 1 109 109 ASP HA H 1 4.900 0.005 . 1 . . . . 136 D HA . 17279 1 1209 . 1 1 109 109 ASP HB2 H 1 3.364 0.019 . 2 . . . . 136 D HB2 . 17279 1 1210 . 1 1 109 109 ASP HB3 H 1 2.715 0.017 . 2 . . . . 136 D HB3 . 17279 1 1211 . 1 1 109 109 ASP CA C 13 53.109 0.030 . 1 . . . . 136 D CA . 17279 1 1212 . 1 1 109 109 ASP CB C 13 42.339 0.051 . 1 . . . . 136 D CB . 17279 1 1213 . 1 1 109 109 ASP N N 15 123.846 0.021 . 1 . . . . 136 D N . 17279 1 1214 . 1 1 110 110 TYR H H 1 9.033 0.004 . 1 . . . . 137 Y H . 17279 1 1215 . 1 1 110 110 TYR HA H 1 3.849 0.014 . 1 . . . . 137 Y HA . 17279 1 1216 . 1 1 110 110 TYR HB2 H 1 3.733 0.021 . 2 . . . . 137 Y HB2 . 17279 1 1217 . 1 1 110 110 TYR HB3 H 1 3.042 0.011 . 2 . . . . 137 Y HB3 . 17279 1 1218 . 1 1 110 110 TYR HD1 H 1 6.918 0.007 . 3 . . . . 137 Y HD1 . 17279 1 1219 . 1 1 110 110 TYR HE1 H 1 6.586 0.006 . 3 . . . . 137 Y HE1 . 17279 1 1220 . 1 1 110 110 TYR C C 13 176.319 0.003 . 1 . . . . 137 Y C . 17279 1 1221 . 1 1 110 110 TYR CA C 13 66.425 0.074 . 1 . . . . 137 Y CA . 17279 1 1222 . 1 1 110 110 TYR CB C 13 37.261 0.057 . 1 . . . . 137 Y CB . 17279 1 1223 . 1 1 110 110 TYR CD1 C 13 132.800 0.109 . 3 . . . . 137 Y CD1 . 17279 1 1224 . 1 1 110 110 TYR CE1 C 13 119.115 0.050 . 3 . . . . 137 Y CE1 . 17279 1 1225 . 1 1 110 110 TYR N N 15 116.878 0.020 . 1 . . . . 137 Y N . 17279 1 1226 . 1 1 111 111 VAL H H 1 8.909 0.003 . 1 . . . . 138 V H . 17279 1 1227 . 1 1 111 111 VAL HA H 1 4.337 0.008 . 1 . . . . 138 V HA . 17279 1 1228 . 1 1 111 111 VAL HB H 1 2.403 0.015 . 1 . . . . 138 V HB . 17279 1 1229 . 1 1 111 111 VAL HG11 H 1 1.100 0.021 . 2 . . . . 138 V HG11 . 17279 1 1230 . 1 1 111 111 VAL HG12 H 1 1.100 0.021 . 2 . . . . 138 V HG11 . 17279 1 1231 . 1 1 111 111 VAL HG13 H 1 1.100 0.021 . 2 . . . . 138 V HG11 . 17279 1 1232 . 1 1 111 111 VAL HG21 H 1 1.008 0.013 . 2 . . . . 138 V HG21 . 17279 1 1233 . 1 1 111 111 VAL HG22 H 1 1.008 0.013 . 2 . . . . 138 V HG21 . 17279 1 1234 . 1 1 111 111 VAL HG23 H 1 1.008 0.013 . 2 . . . . 138 V HG21 . 17279 1 1235 . 1 1 111 111 VAL C C 13 176.169 0.003 . 1 . . . . 138 V C . 17279 1 1236 . 1 1 111 111 VAL CA C 13 62.099 0.051 . 1 . . . . 138 V CA . 17279 1 1237 . 1 1 111 111 VAL CB C 13 33.308 0.043 . 1 . . . . 138 V CB . 17279 1 1238 . 1 1 111 111 VAL CG1 C 13 21.962 0.055 . 2 . . . . 138 V CG1 . 17279 1 1239 . 1 1 111 111 VAL CG2 C 13 18.804 0.035 . 2 . . . . 138 V CG2 . 17279 1 1240 . 1 1 111 111 VAL N N 15 113.629 0.034 . 1 . . . . 138 V N . 17279 1 1241 . 1 1 112 112 LYS H H 1 9.202 0.002 . 1 . . . . 139 K H . 17279 1 1242 . 1 1 112 112 LYS HA H 1 4.799 0.005 . 1 . . . . 139 K HA . 17279 1 1243 . 1 1 112 112 LYS HB2 H 1 2.804 0.015 . 2 . . . . 139 K HB2 . 17279 1 1244 . 1 1 112 112 LYS HB3 H 1 2.396 0.014 . 2 . . . . 139 K HB3 . 17279 1 1245 . 1 1 112 112 LYS HG2 H 1 1.599 0.012 . 2 . . . . 139 K HG2 . 17279 1 1246 . 1 1 112 112 LYS HD2 H 1 1.891 0.016 . 2 . . . . 139 K HD2 . 17279 1 1247 . 1 1 112 112 LYS HE2 H 1 3.086 0.007 . 2 . . . . 139 K HE2 . 17279 1 1248 . 1 1 112 112 LYS CA C 13 59.217 0.059 . 1 . . . . 139 K CA . 17279 1 1249 . 1 1 112 112 LYS CB C 13 35.829 0.062 . 1 . . . . 139 K CB . 17279 1 1250 . 1 1 112 112 LYS CG C 13 25.694 0.051 . 1 . . . . 139 K CG . 17279 1 1251 . 1 1 112 112 LYS CD C 13 29.106 0.064 . 1 . . . . 139 K CD . 17279 1 1252 . 1 1 112 112 LYS CE C 13 42.576 0.059 . 1 . . . . 139 K CE . 17279 1 1253 . 1 1 112 112 LYS N N 15 122.919 0.032 . 1 . . . . 139 K N . 17279 1 1254 . 1 1 113 113 PHE H H 1 9.900 0.002 . 1 . . . . 140 F H . 17279 1 1255 . 1 1 113 113 PHE HA H 1 6.558 0.012 . 1 . . . . 140 F HA . 17279 1 1256 . 1 1 113 113 PHE HB2 H 1 3.204 0.015 . 2 . . . . 140 F HB2 . 17279 1 1257 . 1 1 113 113 PHE HD1 H 1 7.164 0.008 . 3 . . . . 140 F HD1 . 17279 1 1258 . 1 1 113 113 PHE HE1 H 1 7.297 0.015 . 3 . . . . 140 F HE1 . 17279 1 1259 . 1 1 113 113 PHE C C 13 174.166 0.003 . 1 . . . . 140 F C . 17279 1 1260 . 1 1 113 113 PHE CA C 13 56.928 0.046 . 1 . . . . 140 F CA . 17279 1 1261 . 1 1 113 113 PHE CB C 13 45.144 0.055 . 1 . . . . 140 F CB . 17279 1 1262 . 1 1 113 113 PHE CD1 C 13 132.490 0.108 . 3 . . . . 140 F CD1 . 17279 1 1263 . 1 1 113 113 PHE CE1 C 13 131.149 0.071 . 3 . . . . 140 F CE1 . 17279 1 1264 . 1 1 113 113 PHE N N 15 120.279 0.040 . 1 . . . . 140 F N . 17279 1 1265 . 1 1 114 114 ALA H H 1 9.193 0.003 . 1 . . . . 141 A H . 17279 1 1266 . 1 1 114 114 ALA HA H 1 4.589 0.007 . 1 . . . . 141 A HA . 17279 1 1267 . 1 1 114 114 ALA HB1 H 1 0.767 0.016 . 1 . . . . 141 A HB1 . 17279 1 1268 . 1 1 114 114 ALA HB2 H 1 0.767 0.016 . 1 . . . . 141 A HB1 . 17279 1 1269 . 1 1 114 114 ALA HB3 H 1 0.767 0.016 . 1 . . . . 141 A HB1 . 17279 1 1270 . 1 1 114 114 ALA C C 13 174.518 0.003 . 1 . . . . 141 A C . 17279 1 1271 . 1 1 114 114 ALA CA C 13 51.862 0.072 . 1 . . . . 141 A CA . 17279 1 1272 . 1 1 114 114 ALA CB C 13 22.500 0.091 . 1 . . . . 141 A CB . 17279 1 1273 . 1 1 114 114 ALA N N 15 122.692 0.037 . 1 . . . . 141 A N . 17279 1 1274 . 1 1 115 115 LEU H H 1 8.749 0.003 . 1 . . . . 142 L H . 17279 1 1275 . 1 1 115 115 LEU HA H 1 5.481 0.018 . 1 . . . . 142 L HA . 17279 1 1276 . 1 1 115 115 LEU HB2 H 1 1.905 0.017 . 2 . . . . 142 L HB2 . 17279 1 1277 . 1 1 115 115 LEU HB3 H 1 1.386 0.014 . 2 . . . . 142 L HB3 . 17279 1 1278 . 1 1 115 115 LEU HG H 1 1.979 0.015 . 1 . . . . 142 L HG . 17279 1 1279 . 1 1 115 115 LEU HD11 H 1 1.215 0.005 . 2 . . . . 142 L HD11 . 17279 1 1280 . 1 1 115 115 LEU HD12 H 1 1.215 0.005 . 2 . . . . 142 L HD11 . 17279 1 1281 . 1 1 115 115 LEU HD13 H 1 1.215 0.005 . 2 . . . . 142 L HD11 . 17279 1 1282 . 1 1 115 115 LEU HD21 H 1 1.293 0.008 . 2 . . . . 142 L HD21 . 17279 1 1283 . 1 1 115 115 LEU HD22 H 1 1.293 0.008 . 2 . . . . 142 L HD21 . 17279 1 1284 . 1 1 115 115 LEU HD23 H 1 1.293 0.008 . 2 . . . . 142 L HD21 . 17279 1 1285 . 1 1 115 115 LEU C C 13 175.602 0.003 . 1 . . . . 142 L C . 17279 1 1286 . 1 1 115 115 LEU CA C 13 53.646 0.055 . 1 . . . . 142 L CA . 17279 1 1287 . 1 1 115 115 LEU CB C 13 44.669 0.057 . 1 . . . . 142 L CB . 17279 1 1288 . 1 1 115 115 LEU CG C 13 27.546 0.054 . 1 . . . . 142 L CG . 17279 1 1289 . 1 1 115 115 LEU CD1 C 13 26.715 0.063 . 2 . . . . 142 L CD1 . 17279 1 1290 . 1 1 115 115 LEU CD2 C 13 25.975 0.069 . 2 . . . . 142 L CD2 . 17279 1 1291 . 1 1 115 115 LEU N N 15 120.693 0.026 . 1 . . . . 142 L N . 17279 1 1292 . 1 1 116 116 VAL H H 1 8.907 0.002 . 1 . . . . 143 V H . 17279 1 1293 . 1 1 116 116 VAL HA H 1 4.775 0.017 . 1 . . . . 143 V HA . 17279 1 1294 . 1 1 116 116 VAL HB H 1 1.953 0.014 . 1 . . . . 143 V HB . 17279 1 1295 . 1 1 116 116 VAL HG11 H 1 0.695 0.014 . 2 . . . . 143 V HG11 . 17279 1 1296 . 1 1 116 116 VAL HG12 H 1 0.695 0.014 . 2 . . . . 143 V HG11 . 17279 1 1297 . 1 1 116 116 VAL HG13 H 1 0.695 0.014 . 2 . . . . 143 V HG11 . 17279 1 1298 . 1 1 116 116 VAL C C 13 173.286 0.003 . 1 . . . . 143 V C . 17279 1 1299 . 1 1 116 116 VAL CA C 13 61.550 0.068 . 1 . . . . 143 V CA . 17279 1 1300 . 1 1 116 116 VAL CB C 13 35.507 0.060 . 1 . . . . 143 V CB . 17279 1 1301 . 1 1 116 116 VAL CG1 C 13 21.624 0.086 . 2 . . . . 143 V CG1 . 17279 1 1302 . 1 1 116 116 VAL N N 15 123.649 0.024 . 1 . . . . 143 V N . 17279 1 1303 . 1 1 117 117 LEU H H 1 9.216 0.003 . 1 . . . . 144 L H . 17279 1 1304 . 1 1 117 117 LEU HA H 1 5.219 0.025 . 1 . . . . 144 L HA . 17279 1 1305 . 1 1 117 117 LEU HB2 H 1 1.927 0.013 . 2 . . . . 144 L HB2 . 17279 1 1306 . 1 1 117 117 LEU HB3 H 1 1.208 0.022 . 2 . . . . 144 L HB3 . 17279 1 1307 . 1 1 117 117 LEU HG H 1 1.570 0.003 . 1 . . . . 144 L HG . 17279 1 1308 . 1 1 117 117 LEU HD11 H 1 0.808 0.013 . 2 . . . . 144 L HD11 . 17279 1 1309 . 1 1 117 117 LEU HD12 H 1 0.808 0.013 . 2 . . . . 144 L HD11 . 17279 1 1310 . 1 1 117 117 LEU HD13 H 1 0.808 0.013 . 2 . . . . 144 L HD11 . 17279 1 1311 . 1 1 117 117 LEU HD21 H 1 0.835 0.014 . 2 . . . . 144 L HD21 . 17279 1 1312 . 1 1 117 117 LEU HD22 H 1 0.835 0.014 . 2 . . . . 144 L HD21 . 17279 1 1313 . 1 1 117 117 LEU HD23 H 1 0.835 0.014 . 2 . . . . 144 L HD21 . 17279 1 1314 . 1 1 117 117 LEU C C 13 174.397 0.003 . 1 . . . . 144 L C . 17279 1 1315 . 1 1 117 117 LEU CA C 13 53.904 0.063 . 1 . . . . 144 L CA . 17279 1 1316 . 1 1 117 117 LEU CB C 13 47.149 0.048 . 1 . . . . 144 L CB . 17279 1 1317 . 1 1 117 117 LEU CG C 13 27.585 0.057 . 1 . . . . 144 L CG . 17279 1 1318 . 1 1 117 117 LEU CD1 C 13 26.203 0.050 . 2 . . . . 144 L CD1 . 17279 1 1319 . 1 1 117 117 LEU CD2 C 13 25.077 0.045 . 2 . . . . 144 L CD2 . 17279 1 1320 . 1 1 117 117 LEU N N 15 130.193 0.034 . 1 . . . . 144 L N . 17279 1 1321 . 1 1 118 118 SER H H 1 9.508 0.002 . 1 . . . . 145 S H . 17279 1 1322 . 1 1 118 118 SER HA H 1 5.552 0.016 . 1 . . . . 145 S HA . 17279 1 1323 . 1 1 118 118 SER HB2 H 1 3.794 0.011 . 2 . . . . 145 S HB2 . 17279 1 1324 . 1 1 118 118 SER C C 13 172.728 0.003 . 1 . . . . 145 S C . 17279 1 1325 . 1 1 118 118 SER CA C 13 56.477 0.062 . 1 . . . . 145 S CA . 17279 1 1326 . 1 1 118 118 SER CB C 13 64.598 0.059 . 1 . . . . 145 S CB . 17279 1 1327 . 1 1 118 118 SER N N 15 122.590 0.034 . 1 . . . . 145 S N . 17279 1 1328 . 1 1 119 119 LEU H H 1 8.830 0.003 . 1 . . . . 146 L H . 17279 1 1329 . 1 1 119 119 LEU HA H 1 5.286 0.016 . 1 . . . . 146 L HA . 17279 1 1330 . 1 1 119 119 LEU HB2 H 1 1.675 0.017 . 2 . . . . 146 L HB2 . 17279 1 1331 . 1 1 119 119 LEU HG H 1 1.573 0.026 . 1 . . . . 146 L HG . 17279 1 1332 . 1 1 119 119 LEU HD11 H 1 0.969 0.016 . 2 . . . . 146 L HD11 . 17279 1 1333 . 1 1 119 119 LEU HD12 H 1 0.969 0.016 . 2 . . . . 146 L HD11 . 17279 1 1334 . 1 1 119 119 LEU HD13 H 1 0.969 0.016 . 2 . . . . 146 L HD11 . 17279 1 1335 . 1 1 119 119 LEU HD21 H 1 0.920 0.016 . 2 . . . . 146 L HD21 . 17279 1 1336 . 1 1 119 119 LEU HD22 H 1 0.920 0.016 . 2 . . . . 146 L HD21 . 17279 1 1337 . 1 1 119 119 LEU HD23 H 1 0.920 0.016 . 2 . . . . 146 L HD21 . 17279 1 1338 . 1 1 119 119 LEU C C 13 175.781 0.003 . 1 . . . . 146 L C . 17279 1 1339 . 1 1 119 119 LEU CA C 13 54.059 0.047 . 1 . . . . 146 L CA . 17279 1 1340 . 1 1 119 119 LEU CB C 13 44.987 0.110 . 1 . . . . 146 L CB . 17279 1 1341 . 1 1 119 119 LEU CG C 13 27.695 0.080 . 1 . . . . 146 L CG . 17279 1 1342 . 1 1 119 119 LEU CD1 C 13 25.297 0.067 . 2 . . . . 146 L CD1 . 17279 1 1343 . 1 1 119 119 LEU CD2 C 13 25.348 0.084 . 2 . . . . 146 L CD2 . 17279 1 1344 . 1 1 119 119 LEU N N 15 127.220 0.040 . 1 . . . . 146 L N . 17279 1 1345 . 1 1 120 120 ARG H H 1 9.008 0.003 . 1 . . . . 147 R H . 17279 1 1346 . 1 1 120 120 ARG HA H 1 5.170 0.018 . 1 . . . . 147 R HA . 17279 1 1347 . 1 1 120 120 ARG HB2 H 1 1.856 0.022 . 2 . . . . 147 R HB2 . 17279 1 1348 . 1 1 120 120 ARG HB3 H 1 1.699 0.016 . 2 . . . . 147 R HB3 . 17279 1 1349 . 1 1 120 120 ARG HG2 H 1 1.511 0.016 . 2 . . . . 147 R HG2 . 17279 1 1350 . 1 1 120 120 ARG HD2 H 1 3.077 0.030 . 2 . . . . 147 R HD2 . 17279 1 1351 . 1 1 120 120 ARG C C 13 174.410 0.003 . 1 . . . . 147 R C . 17279 1 1352 . 1 1 120 120 ARG CA C 13 54.795 0.032 . 1 . . . . 147 R CA . 17279 1 1353 . 1 1 120 120 ARG CB C 13 34.267 0.067 . 1 . . . . 147 R CB . 17279 1 1354 . 1 1 120 120 ARG CG C 13 27.724 0.073 . 1 . . . . 147 R CG . 17279 1 1355 . 1 1 120 120 ARG CD C 13 44.165 0.062 . 1 . . . . 147 R CD . 17279 1 1356 . 1 1 120 120 ARG N N 15 125.723 0.037 . 1 . . . . 147 R N . 17279 1 1357 . 1 1 121 121 GLN H H 1 8.786 0.002 . 1 . . . . 148 Q H . 17279 1 1358 . 1 1 121 121 GLN HA H 1 5.028 0.018 . 1 . . . . 148 Q HA . 17279 1 1359 . 1 1 121 121 GLN HB2 H 1 2.067 0.019 . 2 . . . . 148 Q HB2 . 17279 1 1360 . 1 1 121 121 GLN HG2 H 1 2.327 0.019 . 2 . . . . 148 Q HG2 . 17279 1 1361 . 1 1 121 121 GLN HE21 H 1 7.430 0.001 . 2 . . . . 148 Q HE21 . 17279 1 1362 . 1 1 121 121 GLN HE22 H 1 6.678 0.002 . 2 . . . . 148 Q HE22 . 17279 1 1363 . 1 1 121 121 GLN C C 13 174.636 0.003 . 1 . . . . 148 Q C . 17279 1 1364 . 1 1 121 121 GLN CA C 13 55.523 0.051 . 1 . . . . 148 Q CA . 17279 1 1365 . 1 1 121 121 GLN CB C 13 30.670 0.047 . 1 . . . . 148 Q CB . 17279 1 1366 . 1 1 121 121 GLN CG C 13 34.365 0.030 . 1 . . . . 148 Q CG . 17279 1 1367 . 1 1 121 121 GLN N N 15 125.684 0.028 . 1 . . . . 148 Q N . 17279 1 1368 . 1 1 121 121 GLN NE2 N 15 111.332 0.031 . 1 . . . . 148 Q NE2 . 17279 1 1369 . 1 1 122 122 ALA H H 1 8.318 0.002 . 1 . . . . 149 A H . 17279 1 1370 . 1 1 122 122 ALA HA H 1 4.746 0.008 . 1 . . . . 149 A HA . 17279 1 1371 . 1 1 122 122 ALA HB1 H 1 1.413 0.011 . 1 . . . . 149 A HB1 . 17279 1 1372 . 1 1 122 122 ALA HB2 H 1 1.413 0.011 . 1 . . . . 149 A HB1 . 17279 1 1373 . 1 1 122 122 ALA HB3 H 1 1.413 0.011 . 1 . . . . 149 A HB1 . 17279 1 1374 . 1 1 122 122 ALA C C 13 177.224 0.003 . 1 . . . . 149 A C . 17279 1 1375 . 1 1 122 122 ALA CA C 13 51.382 0.054 . 1 . . . . 149 A CA . 17279 1 1376 . 1 1 122 122 ALA CB C 13 21.031 0.050 . 1 . . . . 149 A CB . 17279 1 1377 . 1 1 122 122 ALA N N 15 127.778 0.028 . 1 . . . . 149 A N . 17279 1 1378 . 1 1 123 123 SER H H 1 8.877 0.003 . 1 . . . . 150 S H . 17279 1 1379 . 1 1 123 123 SER HA H 1 4.088 0.021 . 1 . . . . 150 S HA . 17279 1 1380 . 1 1 123 123 SER HB2 H 1 4.069 0.001 . 2 . . . . 150 S HB2 . 17279 1 1381 . 1 1 123 123 SER HB3 H 1 3.976 0.016 . 2 . . . . 150 S HB3 . 17279 1 1382 . 1 1 123 123 SER C C 13 174.905 0.003 . 1 . . . . 150 S C . 17279 1 1383 . 1 1 123 123 SER CA C 13 60.282 0.049 . 1 . . . . 150 S CA . 17279 1 1384 . 1 1 123 123 SER CB C 13 62.418 0.064 . 1 . . . . 150 S CB . 17279 1 1385 . 1 1 123 123 SER N N 15 117.494 0.011 . 1 . . . . 150 S N . 17279 1 1386 . 1 1 124 124 ASN H H 1 8.527 0.003 . 1 . . . . 151 N H . 17279 1 1387 . 1 1 124 124 ASN HA H 1 4.592 0.015 . 1 . . . . 151 N HA . 17279 1 1388 . 1 1 124 124 ASN HB2 H 1 2.968 0.014 . 2 . . . . 151 N HB2 . 17279 1 1389 . 1 1 124 124 ASN HD21 H 1 7.499 0.002 . 2 . . . . 151 N HD21 . 17279 1 1390 . 1 1 124 124 ASN HD22 H 1 6.812 0.002 . 2 . . . . 151 N HD22 . 17279 1 1391 . 1 1 124 124 ASN C C 13 174.234 0.003 . 1 . . . . 151 N C . 17279 1 1392 . 1 1 124 124 ASN CA C 13 54.230 0.060 . 1 . . . . 151 N CA . 17279 1 1393 . 1 1 124 124 ASN CB C 13 38.599 0.057 . 1 . . . . 151 N CB . 17279 1 1394 . 1 1 124 124 ASN N N 15 115.604 0.008 . 1 . . . . 151 N N . 17279 1 1395 . 1 1 124 124 ASN ND2 N 15 112.653 0.051 . 1 . . . . 151 N ND2 . 17279 1 1396 . 1 1 125 125 GLN H H 1 7.635 0.003 . 1 . . . . 152 Q H . 17279 1 1397 . 1 1 125 125 GLN HA H 1 4.568 0.008 . 1 . . . . 152 Q HA . 17279 1 1398 . 1 1 125 125 GLN HB2 H 1 2.120 0.003 . 2 . . . . 152 Q HB2 . 17279 1 1399 . 1 1 125 125 GLN HB3 H 1 2.057 0.013 . 2 . . . . 152 Q HB3 . 17279 1 1400 . 1 1 125 125 GLN HG2 H 1 2.262 0.014 . 2 . . . . 152 Q HG2 . 17279 1 1401 . 1 1 125 125 GLN HE21 H 1 7.299 0.003 . 2 . . . . 152 Q HE21 . 17279 1 1402 . 1 1 125 125 GLN HE22 H 1 6.722 0.002 . 2 . . . . 152 Q HE22 . 17279 1 1403 . 1 1 125 125 GLN C C 13 173.719 0.003 . 1 . . . . 152 Q C . 17279 1 1404 . 1 1 125 125 GLN CA C 13 55.390 0.061 . 1 . . . . 152 Q CA . 17279 1 1405 . 1 1 125 125 GLN CB C 13 31.558 0.051 . 1 . . . . 152 Q CB . 17279 1 1406 . 1 1 125 125 GLN CG C 13 33.654 0.036 . 1 . . . . 152 Q CG . 17279 1 1407 . 1 1 125 125 GLN N N 15 117.367 0.018 . 1 . . . . 152 Q N . 17279 1 1408 . 1 1 125 125 GLN NE2 N 15 111.003 0.033 . 1 . . . . 152 Q NE2 . 17279 1 1409 . 1 1 126 126 ASN H H 1 8.515 0.003 . 1 . . . . 153 N H . 17279 1 1410 . 1 1 126 126 ASN HA H 1 5.309 0.017 . 1 . . . . 153 N HA . 17279 1 1411 . 1 1 126 126 ASN HB2 H 1 2.707 0.009 . 2 . . . . 153 N HB2 . 17279 1 1412 . 1 1 126 126 ASN HD21 H 1 7.389 0.001 . 2 . . . . 153 N HD21 . 17279 1 1413 . 1 1 126 126 ASN HD22 H 1 6.673 0.001 . 2 . . . . 153 N HD22 . 17279 1 1414 . 1 1 126 126 ASN C C 13 174.883 0.003 . 1 . . . . 153 N C . 17279 1 1415 . 1 1 126 126 ASN CA C 13 53.156 0.039 . 1 . . . . 153 N CA . 17279 1 1416 . 1 1 126 126 ASN CB C 13 39.903 0.027 . 1 . . . . 153 N CB . 17279 1 1417 . 1 1 126 126 ASN N N 15 121.419 0.023 . 1 . . . . 153 N N . 17279 1 1418 . 1 1 126 126 ASN ND2 N 15 112.027 0.024 . 1 . . . . 153 N ND2 . 17279 1 1419 . 1 1 127 127 ILE H H 1 9.102 0.002 . 1 . . . . 154 I H . 17279 1 1420 . 1 1 127 127 ILE HA H 1 4.715 0.008 . 1 . . . . 154 I HA . 17279 1 1421 . 1 1 127 127 ILE HB H 1 1.739 0.015 . 1 . . . . 154 I HB . 17279 1 1422 . 1 1 127 127 ILE HG12 H 1 1.443 0.018 . 2 . . . . 154 I HG12 . 17279 1 1423 . 1 1 127 127 ILE HG13 H 1 1.086 0.016 . 2 . . . . 154 I HG13 . 17279 1 1424 . 1 1 127 127 ILE HG21 H 1 0.943 0.015 . 1 . . . . 154 I HG21 . 17279 1 1425 . 1 1 127 127 ILE HG22 H 1 0.943 0.015 . 1 . . . . 154 I HG21 . 17279 1 1426 . 1 1 127 127 ILE HG23 H 1 0.943 0.015 . 1 . . . . 154 I HG21 . 17279 1 1427 . 1 1 127 127 ILE HD11 H 1 0.796 0.014 . 1 . . . . 154 I HD11 . 17279 1 1428 . 1 1 127 127 ILE HD12 H 1 0.796 0.014 . 1 . . . . 154 I HD11 . 17279 1 1429 . 1 1 127 127 ILE HD13 H 1 0.796 0.014 . 1 . . . . 154 I HD11 . 17279 1 1430 . 1 1 127 127 ILE C C 13 175.807 0.003 . 1 . . . . 154 I C . 17279 1 1431 . 1 1 127 127 ILE CA C 13 61.208 0.088 . 1 . . . . 154 I CA . 17279 1 1432 . 1 1 127 127 ILE CB C 13 40.662 0.054 . 1 . . . . 154 I CB . 17279 1 1433 . 1 1 127 127 ILE CG1 C 13 27.996 0.072 . 1 . . . . 154 I CG1 . 17279 1 1434 . 1 1 127 127 ILE CG2 C 13 18.205 0.037 . 1 . . . . 154 I CG2 . 17279 1 1435 . 1 1 127 127 ILE CD1 C 13 14.057 0.041 . 1 . . . . 154 I CD1 . 17279 1 1436 . 1 1 127 127 ILE N N 15 126.310 0.033 . 1 . . . . 154 I N . 17279 1 1437 . 1 1 128 128 THR H H 1 8.792 0.002 . 1 . . . . 155 T H . 17279 1 1438 . 1 1 128 128 THR HA H 1 5.038 0.009 . 1 . . . . 155 T HA . 17279 1 1439 . 1 1 128 128 THR HB H 1 3.925 0.015 . 1 . . . . 155 T HB . 17279 1 1440 . 1 1 128 128 THR HG21 H 1 1.205 0.012 . 1 . . . . 155 T HG21 . 17279 1 1441 . 1 1 128 128 THR HG22 H 1 1.205 0.012 . 1 . . . . 155 T HG21 . 17279 1 1442 . 1 1 128 128 THR HG23 H 1 1.205 0.012 . 1 . . . . 155 T HG21 . 17279 1 1443 . 1 1 128 128 THR C C 13 172.300 0.003 . 1 . . . . 155 T C . 17279 1 1444 . 1 1 128 128 THR CA C 13 61.784 0.070 . 1 . . . . 155 T CA . 17279 1 1445 . 1 1 128 128 THR CB C 13 71.090 0.044 . 1 . . . . 155 T CB . 17279 1 1446 . 1 1 128 128 THR CG2 C 13 22.011 0.039 . 1 . . . . 155 T CG2 . 17279 1 1447 . 1 1 128 128 THR N N 15 126.627 0.031 . 1 . . . . 155 T N . 17279 1 1448 . 1 1 129 129 ARG H H 1 8.935 0.002 . 1 . . . . 156 R H . 17279 1 1449 . 1 1 129 129 ARG HA H 1 5.683 0.013 . 1 . . . . 156 R HA . 17279 1 1450 . 1 1 129 129 ARG HB2 H 1 1.826 0.013 . 2 . . . . 156 R HB2 . 17279 1 1451 . 1 1 129 129 ARG HG2 H 1 1.627 0.010 . 2 . . . . 156 R HG2 . 17279 1 1452 . 1 1 129 129 ARG HD2 H 1 3.167 0.009 . 2 . . . . 156 R HD2 . 17279 1 1453 . 1 1 129 129 ARG C C 13 175.421 0.003 . 1 . . . . 156 R C . 17279 1 1454 . 1 1 129 129 ARG CA C 13 54.098 0.075 . 1 . . . . 156 R CA . 17279 1 1455 . 1 1 129 129 ARG CB C 13 34.614 0.084 . 1 . . . . 156 R CB . 17279 1 1456 . 1 1 129 129 ARG CG C 13 27.769 0.067 . 1 . . . . 156 R CG . 17279 1 1457 . 1 1 129 129 ARG CD C 13 44.276 0.089 . 1 . . . . 156 R CD . 17279 1 1458 . 1 1 129 129 ARG N N 15 124.684 0.048 . 1 . . . . 156 R N . 17279 1 1459 . 1 1 130 130 VAL H H 1 9.307 0.002 . 1 . . . . 157 V H . 17279 1 1460 . 1 1 130 130 VAL HA H 1 5.126 0.012 . 1 . . . . 157 V HA . 17279 1 1461 . 1 1 130 130 VAL HB H 1 1.858 0.015 . 1 . . . . 157 V HB . 17279 1 1462 . 1 1 130 130 VAL HG11 H 1 0.729 0.017 . 2 . . . . 157 V HG11 . 17279 1 1463 . 1 1 130 130 VAL HG12 H 1 0.729 0.017 . 2 . . . . 157 V HG11 . 17279 1 1464 . 1 1 130 130 VAL HG13 H 1 0.729 0.017 . 2 . . . . 157 V HG11 . 17279 1 1465 . 1 1 130 130 VAL C C 13 174.941 0.003 . 1 . . . . 157 V C . 17279 1 1466 . 1 1 130 130 VAL CA C 13 60.392 0.063 . 1 . . . . 157 V CA . 17279 1 1467 . 1 1 130 130 VAL CB C 13 34.422 0.042 . 1 . . . . 157 V CB . 17279 1 1468 . 1 1 130 130 VAL CG1 C 13 21.919 0.068 . 2 . . . . 157 V CG1 . 17279 1 1469 . 1 1 130 130 VAL N N 15 126.119 0.028 . 1 . . . . 157 V N . 17279 1 1470 . 1 1 131 131 SER H H 1 9.402 0.003 . 1 . . . . 158 S H . 17279 1 1471 . 1 1 131 131 SER HA H 1 5.455 0.016 . 1 . . . . 158 S HA . 17279 1 1472 . 1 1 131 131 SER HB2 H 1 3.686 0.003 . 2 . . . . 158 S HB2 . 17279 1 1473 . 1 1 131 131 SER HB3 H 1 3.628 0.020 . 2 . . . . 158 S HB3 . 17279 1 1474 . 1 1 131 131 SER C C 13 171.528 0.003 . 1 . . . . 158 S C . 17279 1 1475 . 1 1 131 131 SER CA C 13 57.345 0.056 . 1 . . . . 158 S CA . 17279 1 1476 . 1 1 131 131 SER CB C 13 66.017 0.037 . 1 . . . . 158 S CB . 17279 1 1477 . 1 1 131 131 SER N N 15 120.279 0.027 . 1 . . . . 158 S N . 17279 1 1478 . 1 1 132 132 LEU H H 1 8.437 0.003 . 1 . . . . 159 L H . 17279 1 1479 . 1 1 132 132 LEU HA H 1 4.984 0.008 . 1 . . . . 159 L HA . 17279 1 1480 . 1 1 132 132 LEU HB2 H 1 0.982 0.009 . 2 . . . . 159 L HB2 . 17279 1 1481 . 1 1 132 132 LEU HB3 H 1 0.550 0.010 . 2 . . . . 159 L HB3 . 17279 1 1482 . 1 1 132 132 LEU HG H 1 1.386 0.013 . 1 . . . . 159 L HG . 17279 1 1483 . 1 1 132 132 LEU HD11 H 1 0.667 0.009 . 2 . . . . 159 L HD11 . 17279 1 1484 . 1 1 132 132 LEU HD12 H 1 0.667 0.009 . 2 . . . . 159 L HD11 . 17279 1 1485 . 1 1 132 132 LEU HD13 H 1 0.667 0.009 . 2 . . . . 159 L HD11 . 17279 1 1486 . 1 1 132 132 LEU HD21 H 1 0.983 0.005 . 2 . . . . 159 L HD21 . 17279 1 1487 . 1 1 132 132 LEU HD22 H 1 0.983 0.005 . 2 . . . . 159 L HD21 . 17279 1 1488 . 1 1 132 132 LEU HD23 H 1 0.983 0.005 . 2 . . . . 159 L HD21 . 17279 1 1489 . 1 1 132 132 LEU C C 13 173.639 0.003 . 1 . . . . 159 L C . 17279 1 1490 . 1 1 132 132 LEU CA C 13 53.629 0.065 . 1 . . . . 159 L CA . 17279 1 1491 . 1 1 132 132 LEU CB C 13 42.312 0.054 . 1 . . . . 159 L CB . 17279 1 1492 . 1 1 132 132 LEU CG C 13 28.199 0.044 . 1 . . . . 159 L CG . 17279 1 1493 . 1 1 132 132 LEU CD1 C 13 25.964 0.034 . 2 . . . . 159 L CD1 . 17279 1 1494 . 1 1 132 132 LEU CD2 C 13 23.694 0.043 . 2 . . . . 159 L CD2 . 17279 1 1495 . 1 1 132 132 LEU N N 15 125.851 0.023 . 1 . . . . 159 L N . 17279 1 1496 . 1 1 133 133 LEU H H 1 9.335 0.004 . 1 . . . . 160 L H . 17279 1 1497 . 1 1 133 133 LEU HA H 1 5.617 0.016 . 1 . . . . 160 L HA . 17279 1 1498 . 1 1 133 133 LEU HB2 H 1 1.465 0.003 . 2 . . . . 160 L HB2 . 17279 1 1499 . 1 1 133 133 LEU HB3 H 1 1.188 0.024 . 2 . . . . 160 L HB3 . 17279 1 1500 . 1 1 133 133 LEU HG H 1 1.350 0.019 . 1 . . . . 160 L HG . 17279 1 1501 . 1 1 133 133 LEU HD11 H 1 0.477 0.016 . 2 . . . . 160 L HD11 . 17279 1 1502 . 1 1 133 133 LEU HD12 H 1 0.477 0.016 . 2 . . . . 160 L HD11 . 17279 1 1503 . 1 1 133 133 LEU HD13 H 1 0.477 0.016 . 2 . . . . 160 L HD11 . 17279 1 1504 . 1 1 133 133 LEU HD21 H 1 0.223 0.014 . 2 . . . . 160 L HD21 . 17279 1 1505 . 1 1 133 133 LEU HD22 H 1 0.223 0.014 . 2 . . . . 160 L HD21 . 17279 1 1506 . 1 1 133 133 LEU HD23 H 1 0.223 0.014 . 2 . . . . 160 L HD21 . 17279 1 1507 . 1 1 133 133 LEU C C 13 176.569 0.003 . 1 . . . . 160 L C . 17279 1 1508 . 1 1 133 133 LEU CA C 13 52.959 0.076 . 1 . . . . 160 L CA . 17279 1 1509 . 1 1 133 133 LEU CB C 13 44.154 0.059 . 1 . . . . 160 L CB . 17279 1 1510 . 1 1 133 133 LEU CG C 13 28.146 0.053 . 1 . . . . 160 L CG . 17279 1 1511 . 1 1 133 133 LEU CD1 C 13 24.559 0.048 . 2 . . . . 160 L CD1 . 17279 1 1512 . 1 1 133 133 LEU CD2 C 13 24.487 0.045 . 2 . . . . 160 L CD2 . 17279 1 1513 . 1 1 133 133 LEU N N 15 128.084 0.028 . 1 . . . . 160 L N . 17279 1 1514 . 1 1 134 134 GLY H H 1 9.796 0.003 . 1 . . . . 161 G H . 17279 1 1515 . 1 1 134 134 GLY HA2 H 1 5.982 0.075 . 2 . . . . 161 G HA2 . 17279 1 1516 . 1 1 134 134 GLY HA3 H 1 4.110 0.009 . 2 . . . . 161 G HA3 . 17279 1 1517 . 1 1 134 134 GLY C C 13 174.667 0.003 . 1 . . . . 161 G C . 17279 1 1518 . 1 1 134 134 GLY CA C 13 44.330 0.043 . 1 . . . . 161 G CA . 17279 1 1519 . 1 1 134 134 GLY N N 15 106.576 0.027 . 1 . . . . 161 G N . 17279 1 1520 . 1 1 135 135 ARG H H 1 8.298 0.003 . 1 . . . . 162 R H . 17279 1 1521 . 1 1 135 135 ARG HA H 1 4.055 0.020 . 1 . . . . 162 R HA . 17279 1 1522 . 1 1 135 135 ARG HB2 H 1 1.832 0.005 . 2 . . . . 162 R HB2 . 17279 1 1523 . 1 1 135 135 ARG HG2 H 1 1.112 0.015 . 2 . . . . 162 R HG2 . 17279 1 1524 . 1 1 135 135 ARG HG3 H 1 0.836 0.006 . 2 . . . . 162 R HG3 . 17279 1 1525 . 1 1 135 135 ARG C C 13 175.587 0.003 . 1 . . . . 162 R C . 17279 1 1526 . 1 1 135 135 ARG CA C 13 55.945 0.059 . 1 . . . . 162 R CA . 17279 1 1527 . 1 1 135 135 ARG CB C 13 31.390 0.052 . 1 . . . . 162 R CB . 17279 1 1528 . 1 1 135 135 ARG CG C 13 25.663 0.067 . 1 . . . . 162 R CG . 17279 1 1529 . 1 1 135 135 ARG N N 15 120.799 0.027 . 1 . . . . 162 R N . 17279 1 1530 . 1 1 136 136 ASP H H 1 8.177 0.002 . 1 . . . . 163 D H . 17279 1 1531 . 1 1 136 136 ASP HA H 1 4.578 0.002 . 1 . . . . 163 D HA . 17279 1 1532 . 1 1 136 136 ASP HB2 H 1 2.700 0.018 . 2 . . . . 163 D HB2 . 17279 1 1533 . 1 1 136 136 ASP HB3 H 1 2.627 0.012 . 2 . . . . 163 D HB3 . 17279 1 1534 . 1 1 136 136 ASP C C 13 173.474 0.003 . 1 . . . . 163 D C . 17279 1 1535 . 1 1 136 136 ASP CA C 13 52.309 0.048 . 1 . . . . 163 D CA . 17279 1 1536 . 1 1 136 136 ASP CB C 13 43.258 0.029 . 1 . . . . 163 D CB . 17279 1 1537 . 1 1 136 136 ASP N N 15 117.134 0.037 . 1 . . . . 163 D N . 17279 1 1538 . 1 1 137 137 TRP H H 1 7.179 0.003 . 1 . . . . 164 W H . 17279 1 1539 . 1 1 137 137 TRP HA H 1 4.380 0.014 . 1 . . . . 164 W HA . 17279 1 1540 . 1 1 137 137 TRP HB2 H 1 3.094 0.014 . 2 . . . . 164 W HB2 . 17279 1 1541 . 1 1 137 137 TRP HB3 H 1 2.472 0.017 . 2 . . . . 164 W HB3 . 17279 1 1542 . 1 1 137 137 TRP HD1 H 1 6.847 0.002 . 1 . . . . 164 W HD1 . 17279 1 1543 . 1 1 137 137 TRP HE1 H 1 9.480 0.002 . 1 . . . . 164 W HE1 . 17279 1 1544 . 1 1 137 137 TRP HE3 H 1 6.872 0.006 . 1 . . . . 164 W HE3 . 17279 1 1545 . 1 1 137 137 TRP HZ2 H 1 7.327 0.023 . 1 . . . . 164 W HZ2 . 17279 1 1546 . 1 1 137 137 TRP HZ3 H 1 7.081 0.004 . 1 . . . . 164 W HZ3 . 17279 1 1547 . 1 1 137 137 TRP HH2 H 1 7.174 0.012 . 1 . . . . 164 W HH2 . 17279 1 1548 . 1 1 137 137 TRP C C 13 175.410 0.003 . 1 . . . . 164 W C . 17279 1 1549 . 1 1 137 137 TRP CA C 13 57.038 0.039 . 1 . . . . 164 W CA . 17279 1 1550 . 1 1 137 137 TRP CB C 13 28.409 0.094 . 1 . . . . 164 W CB . 17279 1 1551 . 1 1 137 137 TRP CD1 C 13 127.026 0.061 . 1 . . . . 164 W CD1 . 17279 1 1552 . 1 1 137 137 TRP CE3 C 13 121.892 0.093 . 1 . . . . 164 W CE3 . 17279 1 1553 . 1 1 137 137 TRP CZ2 C 13 114.582 0.082 . 1 . . . . 164 W CZ2 . 17279 1 1554 . 1 1 137 137 TRP CZ3 C 13 122.248 0.036 . 1 . . . . 164 W CZ3 . 17279 1 1555 . 1 1 137 137 TRP CH2 C 13 124.643 0.092 . 1 . . . . 164 W CH2 . 17279 1 1556 . 1 1 137 137 TRP N N 15 114.554 0.034 . 1 . . . . 164 W N . 17279 1 1557 . 1 1 137 137 TRP NE1 N 15 128.613 0.018 . 1 . . . . 164 W NE1 . 17279 1 1558 . 1 1 138 138 LYS H H 1 7.365 0.004 . 1 . . . . 165 K H . 17279 1 1559 . 1 1 138 138 LYS HA H 1 4.382 0.018 . 1 . . . . 165 K HA . 17279 1 1560 . 1 1 138 138 LYS HB2 H 1 1.524 0.008 . 2 . . . . 165 K HB2 . 17279 1 1561 . 1 1 138 138 LYS HB3 H 1 1.445 0.021 . 2 . . . . 165 K HB3 . 17279 1 1562 . 1 1 138 138 LYS HG2 H 1 0.933 0.028 . 2 . . . . 165 K HG2 . 17279 1 1563 . 1 1 138 138 LYS HG3 H 1 0.838 0.020 . 2 . . . . 165 K HG3 . 17279 1 1564 . 1 1 138 138 LYS HD2 H 1 1.483 0.027 . 2 . . . . 165 K HD2 . 17279 1 1565 . 1 1 138 138 LYS HD3 H 1 1.450 0.015 . 2 . . . . 165 K HD3 . 17279 1 1566 . 1 1 138 138 LYS HE2 H 1 2.797 0.017 . 2 . . . . 165 K HE2 . 17279 1 1567 . 1 1 138 138 LYS C C 13 175.387 0.003 . 1 . . . . 165 K C . 17279 1 1568 . 1 1 138 138 LYS CA C 13 55.620 0.056 . 1 . . . . 165 K CA . 17279 1 1569 . 1 1 138 138 LYS CB C 13 32.322 0.054 . 1 . . . . 165 K CB . 17279 1 1570 . 1 1 138 138 LYS CG C 13 24.345 0.066 . 1 . . . . 165 K CG . 17279 1 1571 . 1 1 138 138 LYS CD C 13 29.278 0.067 . 1 . . . . 165 K CD . 17279 1 1572 . 1 1 138 138 LYS CE C 13 42.171 0.029 . 1 . . . . 165 K CE . 17279 1 1573 . 1 1 138 138 LYS N N 15 120.817 0.032 . 1 . . . . 165 K N . 17279 1 1574 . 1 1 139 139 ILE H H 1 7.876 0.003 . 1 . . . . 166 I H . 17279 1 1575 . 1 1 139 139 ILE HA H 1 4.549 0.017 . 1 . . . . 166 I HA . 17279 1 1576 . 1 1 139 139 ILE HB H 1 1.795 0.014 . 1 . . . . 166 I HB . 17279 1 1577 . 1 1 139 139 ILE HG12 H 1 1.612 0.013 . 2 . . . . 166 I HG12 . 17279 1 1578 . 1 1 139 139 ILE HG13 H 1 1.285 0.016 . 2 . . . . 166 I HG13 . 17279 1 1579 . 1 1 139 139 ILE HG21 H 1 0.970 0.013 . 1 . . . . 166 I HG21 . 17279 1 1580 . 1 1 139 139 ILE HG22 H 1 0.970 0.013 . 1 . . . . 166 I HG21 . 17279 1 1581 . 1 1 139 139 ILE HG23 H 1 0.970 0.013 . 1 . . . . 166 I HG21 . 17279 1 1582 . 1 1 139 139 ILE HD11 H 1 1.009 0.013 . 1 . . . . 166 I HD11 . 17279 1 1583 . 1 1 139 139 ILE HD12 H 1 1.009 0.013 . 1 . . . . 166 I HD11 . 17279 1 1584 . 1 1 139 139 ILE HD13 H 1 1.009 0.013 . 1 . . . . 166 I HD11 . 17279 1 1585 . 1 1 139 139 ILE C C 13 175.178 0.003 . 1 . . . . 166 I C . 17279 1 1586 . 1 1 139 139 ILE CA C 13 59.847 0.053 . 1 . . . . 166 I CA . 17279 1 1587 . 1 1 139 139 ILE CB C 13 41.236 0.064 . 1 . . . . 166 I CB . 17279 1 1588 . 1 1 139 139 ILE CG1 C 13 28.162 0.036 . 1 . . . . 166 I CG1 . 17279 1 1589 . 1 1 139 139 ILE CG2 C 13 18.113 0.061 . 1 . . . . 166 I CG2 . 17279 1 1590 . 1 1 139 139 ILE CD1 C 13 14.963 0.075 . 1 . . . . 166 I CD1 . 17279 1 1591 . 1 1 139 139 ILE N N 15 121.094 0.039 . 1 . . . . 166 I N . 17279 1 1592 . 1 1 140 140 THR H H 1 7.848 0.003 . 1 . . . . 167 T H . 17279 1 1593 . 1 1 140 140 THR HA H 1 4.575 0.015 . 1 . . . . 167 T HA . 17279 1 1594 . 1 1 140 140 THR HB H 1 4.598 0.005 . 1 . . . . 167 T HB . 17279 1 1595 . 1 1 140 140 THR HG21 H 1 1.365 0.015 . 1 . . . . 167 T HG21 . 17279 1 1596 . 1 1 140 140 THR HG22 H 1 1.365 0.015 . 1 . . . . 167 T HG21 . 17279 1 1597 . 1 1 140 140 THR HG23 H 1 1.365 0.015 . 1 . . . . 167 T HG21 . 17279 1 1598 . 1 1 140 140 THR C C 13 175.718 0.003 . 1 . . . . 167 T C . 17279 1 1599 . 1 1 140 140 THR CA C 13 60.999 0.098 . 1 . . . . 167 T CA . 17279 1 1600 . 1 1 140 140 THR CB C 13 71.065 0.033 . 1 . . . . 167 T CB . 17279 1 1601 . 1 1 140 140 THR CG2 C 13 22.077 0.045 . 1 . . . . 167 T CG2 . 17279 1 1602 . 1 1 140 140 THR N N 15 114.634 0.019 . 1 . . . . 167 T N . 17279 1 1603 . 1 1 141 141 HIS H H 1 9.066 0.003 . 1 . . . . 168 H H . 17279 1 1604 . 1 1 141 141 HIS HA H 1 4.216 0.024 . 1 . . . . 168 H HA . 17279 1 1605 . 1 1 141 141 HIS HB2 H 1 3.369 0.012 . 2 . . . . 168 H HB2 . 17279 1 1606 . 1 1 141 141 HIS HB3 H 1 3.355 0.004 . 2 . . . . 168 H HB3 . 17279 1 1607 . 1 1 141 141 HIS HD2 H 1 8.352 0.005 . 1 . . . . 168 H HD2 . 17279 1 1608 . 1 1 141 141 HIS C C 13 176.776 0.003 . 1 . . . . 168 H C . 17279 1 1609 . 1 1 141 141 HIS CA C 13 59.624 0.065 . 1 . . . . 168 H CA . 17279 1 1610 . 1 1 141 141 HIS CB C 13 28.087 0.037 . 1 . . . . 168 H CB . 17279 1 1611 . 1 1 141 141 HIS CD2 C 13 121.733 0.067 . 1 . . . . 168 H CD2 . 17279 1 1612 . 1 1 141 141 HIS N N 15 121.208 0.021 . 1 . . . . 168 H N . 17279 1 1613 . 1 1 142 142 LYS H H 1 8.281 0.004 . 1 . . . . 169 K H . 17279 1 1614 . 1 1 142 142 LYS HA H 1 4.173 0.014 . 1 . . . . 169 K HA . 17279 1 1615 . 1 1 142 142 LYS HB2 H 1 1.856 0.028 . 2 . . . . 169 K HB2 . 17279 1 1616 . 1 1 142 142 LYS HG2 H 1 1.585 0.004 . 2 . . . . 169 K HG2 . 17279 1 1617 . 1 1 142 142 LYS HG3 H 1 1.448 0.006 . 2 . . . . 169 K HG3 . 17279 1 1618 . 1 1 142 142 LYS HD2 H 1 1.821 0.001 . 2 . . . . 169 K HD2 . 17279 1 1619 . 1 1 142 142 LYS HD3 H 1 1.697 0.024 . 2 . . . . 169 K HD3 . 17279 1 1620 . 1 1 142 142 LYS HE2 H 1 3.111 0.011 . 2 . . . . 169 K HE2 . 17279 1 1621 . 1 1 142 142 LYS HE3 H 1 3.029 0.015 . 2 . . . . 169 K HE3 . 17279 1 1622 . 1 1 142 142 LYS C C 13 178.738 0.003 . 1 . . . . 169 K C . 17279 1 1623 . 1 1 142 142 LYS CA C 13 59.657 0.032 . 1 . . . . 169 K CA . 17279 1 1624 . 1 1 142 142 LYS CB C 13 32.365 0.084 . 1 . . . . 169 K CB . 17279 1 1625 . 1 1 142 142 LYS CG C 13 25.106 0.073 . 1 . . . . 169 K CG . 17279 1 1626 . 1 1 142 142 LYS CD C 13 29.583 0.123 . 1 . . . . 169 K CD . 17279 1 1627 . 1 1 142 142 LYS CE C 13 42.377 0.069 . 1 . . . . 169 K CE . 17279 1 1628 . 1 1 142 142 LYS N N 15 118.446 0.022 . 1 . . . . 169 K N . 17279 1 1629 . 1 1 143 143 THR H H 1 7.400 0.004 . 1 . . . . 170 T H . 17279 1 1630 . 1 1 143 143 THR HA H 1 3.732 0.016 . 1 . . . . 170 T HA . 17279 1 1631 . 1 1 143 143 THR HB H 1 4.078 0.015 . 1 . . . . 170 T HB . 17279 1 1632 . 1 1 143 143 THR HG21 H 1 0.853 0.017 . 1 . . . . 170 T HG21 . 17279 1 1633 . 1 1 143 143 THR HG22 H 1 0.853 0.017 . 1 . . . . 170 T HG21 . 17279 1 1634 . 1 1 143 143 THR HG23 H 1 0.853 0.017 . 1 . . . . 170 T HG21 . 17279 1 1635 . 1 1 143 143 THR C C 13 176.416 0.003 . 1 . . . . 170 T C . 17279 1 1636 . 1 1 143 143 THR CA C 13 66.282 0.060 . 1 . . . . 170 T CA . 17279 1 1637 . 1 1 143 143 THR CB C 13 68.044 0.052 . 1 . . . . 170 T CB . 17279 1 1638 . 1 1 143 143 THR CG2 C 13 23.358 0.048 . 1 . . . . 170 T CG2 . 17279 1 1639 . 1 1 143 143 THR N N 15 115.743 0.033 . 1 . . . . 170 T N . 17279 1 1640 . 1 1 144 144 ILE H H 1 7.458 0.004 . 1 . . . . 171 I H . 17279 1 1641 . 1 1 144 144 ILE HA H 1 3.805 0.023 . 1 . . . . 171 I HA . 17279 1 1642 . 1 1 144 144 ILE HB H 1 1.975 0.014 . 1 . . . . 171 I HB . 17279 1 1643 . 1 1 144 144 ILE HG12 H 1 1.610 0.013 . 2 . . . . 171 I HG12 . 17279 1 1644 . 1 1 144 144 ILE HG13 H 1 1.080 0.007 . 2 . . . . 171 I HG13 . 17279 1 1645 . 1 1 144 144 ILE HG21 H 1 1.016 0.013 . 1 . . . . 171 I HG21 . 17279 1 1646 . 1 1 144 144 ILE HG22 H 1 1.016 0.013 . 1 . . . . 171 I HG21 . 17279 1 1647 . 1 1 144 144 ILE HG23 H 1 1.016 0.013 . 1 . . . . 171 I HG21 . 17279 1 1648 . 1 1 144 144 ILE HD11 H 1 0.742 0.011 . 1 . . . . 171 I HD11 . 17279 1 1649 . 1 1 144 144 ILE HD12 H 1 0.742 0.011 . 1 . . . . 171 I HD11 . 17279 1 1650 . 1 1 144 144 ILE HD13 H 1 0.742 0.011 . 1 . . . . 171 I HD11 . 17279 1 1651 . 1 1 144 144 ILE C C 13 177.848 0.003 . 1 . . . . 171 I C . 17279 1 1652 . 1 1 144 144 ILE CA C 13 65.507 0.079 . 1 . . . . 171 I CA . 17279 1 1653 . 1 1 144 144 ILE CB C 13 37.148 0.068 . 1 . . . . 171 I CB . 17279 1 1654 . 1 1 144 144 ILE CG1 C 13 29.271 0.040 . 1 . . . . 171 I CG1 . 17279 1 1655 . 1 1 144 144 ILE CG2 C 13 17.718 0.040 . 1 . . . . 171 I CG2 . 17279 1 1656 . 1 1 144 144 ILE CD1 C 13 12.310 0.043 . 1 . . . . 171 I CD1 . 17279 1 1657 . 1 1 144 144 ILE N N 15 122.812 0.015 . 1 . . . . 171 I N . 17279 1 1658 . 1 1 145 145 ASP H H 1 8.283 0.003 . 1 . . . . 172 D H . 17279 1 1659 . 1 1 145 145 ASP HA H 1 4.495 0.009 . 1 . . . . 172 D HA . 17279 1 1660 . 1 1 145 145 ASP HB2 H 1 2.788 0.033 . 2 . . . . 172 D HB2 . 17279 1 1661 . 1 1 145 145 ASP C C 13 179.363 0.003 . 1 . . . . 172 D C . 17279 1 1662 . 1 1 145 145 ASP CA C 13 58.008 0.038 . 1 . . . . 172 D CA . 17279 1 1663 . 1 1 145 145 ASP CB C 13 40.110 0.084 . 1 . . . . 172 D CB . 17279 1 1664 . 1 1 145 145 ASP N N 15 119.833 0.049 . 1 . . . . 172 D N . 17279 1 1665 . 1 1 146 146 ARG H H 1 7.709 0.004 . 1 . . . . 173 R H . 17279 1 1666 . 1 1 146 146 ARG HA H 1 4.260 0.007 . 1 . . . . 173 R HA . 17279 1 1667 . 1 1 146 146 ARG HB2 H 1 2.154 0.026 . 2 . . . . 173 R HB2 . 17279 1 1668 . 1 1 146 146 ARG HB3 H 1 1.988 0.024 . 2 . . . . 173 R HB3 . 17279 1 1669 . 1 1 146 146 ARG HG2 H 1 1.875 0.008 . 2 . . . . 173 R HG2 . 17279 1 1670 . 1 1 146 146 ARG C C 13 178.214 0.003 . 1 . . . . 173 R C . 17279 1 1671 . 1 1 146 146 ARG CA C 13 59.034 0.054 . 1 . . . . 173 R CA . 17279 1 1672 . 1 1 146 146 ARG CB C 13 30.216 0.069 . 1 . . . . 173 R CB . 17279 1 1673 . 1 1 146 146 ARG CG C 13 26.945 0.051 . 1 . . . . 173 R CG . 17279 1 1674 . 1 1 146 146 ARG N N 15 122.098 0.064 . 1 . . . . 173 R N . 17279 1 1675 . 1 1 147 147 PHE H H 1 8.080 0.003 . 1 . . . . 174 F H . 17279 1 1676 . 1 1 147 147 PHE HA H 1 4.423 0.014 . 1 . . . . 174 F HA . 17279 1 1677 . 1 1 147 147 PHE HB2 H 1 3.760 0.010 . 2 . . . . 174 F HB2 . 17279 1 1678 . 1 1 147 147 PHE HB3 H 1 3.322 0.011 . 2 . . . . 174 F HB3 . 17279 1 1679 . 1 1 147 147 PHE HD1 H 1 7.159 0.006 . 3 . . . . 174 F HD1 . 17279 1 1680 . 1 1 147 147 PHE HE1 H 1 6.938 0.012 . 3 . . . . 174 F HE1 . 17279 1 1681 . 1 1 147 147 PHE HZ H 1 6.730 0.009 . 1 . . . . 174 F HZ . 17279 1 1682 . 1 1 147 147 PHE CA C 13 60.590 0.050 . 1 . . . . 174 F CA . 17279 1 1683 . 1 1 147 147 PHE CB C 13 39.330 0.053 . 1 . . . . 174 F CB . 17279 1 1684 . 1 1 147 147 PHE CD1 C 13 132.058 0.068 . 3 . . . . 174 F CD1 . 17279 1 1685 . 1 1 147 147 PHE CE1 C 13 131.310 0.072 . 3 . . . . 174 F CE1 . 17279 1 1686 . 1 1 147 147 PHE CZ C 13 129.352 0.034 . 1 . . . . 174 F CZ . 17279 1 1687 . 1 1 147 147 PHE N N 15 119.936 0.070 . 1 . . . . 174 F N . 17279 1 1688 . 1 1 148 148 ILE H H 1 8.962 0.006 . 1 . . . . 175 I H . 17279 1 1689 . 1 1 148 148 ILE HA H 1 3.400 0.014 . 1 . . . . 175 I HA . 17279 1 1690 . 1 1 148 148 ILE HB H 1 2.154 0.015 . 1 . . . . 175 I HB . 17279 1 1691 . 1 1 148 148 ILE HG12 H 1 1.992 0.012 . 2 . . . . 175 I HG12 . 17279 1 1692 . 1 1 148 148 ILE HG13 H 1 1.433 0.017 . 2 . . . . 175 I HG13 . 17279 1 1693 . 1 1 148 148 ILE HG21 H 1 0.906 0.013 . 1 . . . . 175 I HG21 . 17279 1 1694 . 1 1 148 148 ILE HG22 H 1 0.906 0.013 . 1 . . . . 175 I HG21 . 17279 1 1695 . 1 1 148 148 ILE HG23 H 1 0.906 0.013 . 1 . . . . 175 I HG21 . 17279 1 1696 . 1 1 148 148 ILE HD11 H 1 0.992 0.012 . 1 . . . . 175 I HD11 . 17279 1 1697 . 1 1 148 148 ILE HD12 H 1 0.992 0.012 . 1 . . . . 175 I HD11 . 17279 1 1698 . 1 1 148 148 ILE HD13 H 1 0.992 0.012 . 1 . . . . 175 I HD11 . 17279 1 1699 . 1 1 148 148 ILE C C 13 179.859 0.003 . 1 . . . . 175 I C . 17279 1 1700 . 1 1 148 148 ILE CA C 13 64.355 0.100 . 1 . . . . 175 I CA . 17279 1 1701 . 1 1 148 148 ILE CB C 13 36.912 0.048 . 1 . . . . 175 I CB . 17279 1 1702 . 1 1 148 148 ILE CG1 C 13 29.171 0.053 . 1 . . . . 175 I CG1 . 17279 1 1703 . 1 1 148 148 ILE CG2 C 13 17.257 0.050 . 1 . . . . 175 I CG2 . 17279 1 1704 . 1 1 148 148 ILE CD1 C 13 12.284 0.052 . 1 . . . . 175 I CD1 . 17279 1 1705 . 1 1 148 148 ILE N N 15 120.951 0.037 . 1 . . . . 175 I N . 17279 1 1706 . 1 1 149 149 ALA H H 1 8.453 0.003 . 1 . . . . 176 A H . 17279 1 1707 . 1 1 149 149 ALA HA H 1 4.164 0.014 . 1 . . . . 176 A HA . 17279 1 1708 . 1 1 149 149 ALA HB1 H 1 1.732 0.014 . 1 . . . . 176 A HB1 . 17279 1 1709 . 1 1 149 149 ALA HB2 H 1 1.732 0.014 . 1 . . . . 176 A HB1 . 17279 1 1710 . 1 1 149 149 ALA HB3 H 1 1.732 0.014 . 1 . . . . 176 A HB1 . 17279 1 1711 . 1 1 149 149 ALA C C 13 180.702 0.003 . 1 . . . . 176 A C . 17279 1 1712 . 1 1 149 149 ALA CA C 13 56.105 0.053 . 1 . . . . 176 A CA . 17279 1 1713 . 1 1 149 149 ALA CB C 13 17.801 0.046 . 1 . . . . 176 A CB . 17279 1 1714 . 1 1 149 149 ALA N N 15 124.007 0.031 . 1 . . . . 176 A N . 17279 1 1715 . 1 1 150 150 LEU H H 1 8.175 0.003 . 1 . . . . 177 L H . 17279 1 1716 . 1 1 150 150 LEU HA H 1 4.123 0.015 . 1 . . . . 177 L HA . 17279 1 1717 . 1 1 150 150 LEU HB2 H 1 2.079 0.004 . 2 . . . . 177 L HB2 . 17279 1 1718 . 1 1 150 150 LEU HB3 H 1 1.527 0.023 . 2 . . . . 177 L HB3 . 17279 1 1719 . 1 1 150 150 LEU HG H 1 1.300 0.005 . 1 . . . . 177 L HG . 17279 1 1720 . 1 1 150 150 LEU HD11 H 1 0.752 0.012 . 2 . . . . 177 L HD11 . 17279 1 1721 . 1 1 150 150 LEU HD12 H 1 0.752 0.012 . 2 . . . . 177 L HD11 . 17279 1 1722 . 1 1 150 150 LEU HD13 H 1 0.752 0.012 . 2 . . . . 177 L HD11 . 17279 1 1723 . 1 1 150 150 LEU HD21 H 1 0.415 0.013 . 2 . . . . 177 L HD21 . 17279 1 1724 . 1 1 150 150 LEU HD22 H 1 0.415 0.013 . 2 . . . . 177 L HD21 . 17279 1 1725 . 1 1 150 150 LEU HD23 H 1 0.415 0.013 . 2 . . . . 177 L HD21 . 17279 1 1726 . 1 1 150 150 LEU C C 13 180.731 0.003 . 1 . . . . 177 L C . 17279 1 1727 . 1 1 150 150 LEU CA C 13 58.034 0.061 . 1 . . . . 177 L CA . 17279 1 1728 . 1 1 150 150 LEU CB C 13 40.600 0.049 . 1 . . . . 177 L CB . 17279 1 1729 . 1 1 150 150 LEU CG C 13 27.308 0.037 . 1 . . . . 177 L CG . 17279 1 1730 . 1 1 150 150 LEU CD1 C 13 28.761 0.060 . 2 . . . . 177 L CD1 . 17279 1 1731 . 1 1 150 150 LEU CD2 C 13 22.280 0.071 . 2 . . . . 177 L CD2 . 17279 1 1732 . 1 1 150 150 LEU N N 15 119.640 0.039 . 1 . . . . 177 L N . 17279 1 1733 . 1 1 151 151 THR H H 1 8.452 0.004 . 1 . . . . 178 T H . 17279 1 1734 . 1 1 151 151 THR HA H 1 3.618 0.014 . 1 . . . . 178 T HA . 17279 1 1735 . 1 1 151 151 THR HB H 1 3.874 0.013 . 1 . . . . 178 T HB . 17279 1 1736 . 1 1 151 151 THR HG21 H 1 0.507 0.018 . 1 . . . . 178 T HG21 . 17279 1 1737 . 1 1 151 151 THR HG22 H 1 0.507 0.018 . 1 . . . . 178 T HG21 . 17279 1 1738 . 1 1 151 151 THR HG23 H 1 0.507 0.018 . 1 . . . . 178 T HG21 . 17279 1 1739 . 1 1 151 151 THR C C 13 176.527 0.003 . 1 . . . . 178 T C . 17279 1 1740 . 1 1 151 151 THR CA C 13 66.918 0.080 . 1 . . . . 178 T CA . 17279 1 1741 . 1 1 151 151 THR CB C 13 68.023 0.082 . 1 . . . . 178 T CB . 17279 1 1742 . 1 1 151 151 THR CG2 C 13 22.597 0.065 . 1 . . . . 178 T CG2 . 17279 1 1743 . 1 1 151 151 THR N N 15 113.286 0.065 . 1 . . . . 178 T N . 17279 1 1744 . 1 1 152 152 LYS H H 1 7.720 0.002 . 1 . . . . 179 K H . 17279 1 1745 . 1 1 152 152 LYS HA H 1 4.260 0.012 . 1 . . . . 179 K HA . 17279 1 1746 . 1 1 152 152 LYS HB2 H 1 2.034 0.028 . 2 . . . . 179 K HB2 . 17279 1 1747 . 1 1 152 152 LYS HG2 H 1 1.684 0.016 . 2 . . . . 179 K HG2 . 17279 1 1748 . 1 1 152 152 LYS HG3 H 1 1.544 0.001 . 2 . . . . 179 K HG3 . 17279 1 1749 . 1 1 152 152 LYS HD2 H 1 1.740 0.016 . 2 . . . . 179 K HD2 . 17279 1 1750 . 1 1 152 152 LYS HE2 H 1 3.010 0.006 . 2 . . . . 179 K HE2 . 17279 1 1751 . 1 1 152 152 LYS C C 13 180.795 0.003 . 1 . . . . 179 K C . 17279 1 1752 . 1 1 152 152 LYS CA C 13 60.008 0.068 . 1 . . . . 179 K CA . 17279 1 1753 . 1 1 152 152 LYS CB C 13 32.397 0.075 . 1 . . . . 179 K CB . 17279 1 1754 . 1 1 152 152 LYS CG C 13 25.863 0.031 . 1 . . . . 179 K CG . 17279 1 1755 . 1 1 152 152 LYS CD C 13 29.615 0.056 . 1 . . . . 179 K CD . 17279 1 1756 . 1 1 152 152 LYS CE C 13 42.384 0.061 . 1 . . . . 179 K CE . 17279 1 1757 . 1 1 152 152 LYS N N 15 122.419 0.043 . 1 . . . . 179 K N . 17279 1 1758 . 1 1 153 153 THR H H 1 7.665 0.004 . 1 . . . . 180 T H . 17279 1 1759 . 1 1 153 153 THR HA H 1 4.403 0.013 . 1 . . . . 180 T HA . 17279 1 1760 . 1 1 153 153 THR HB H 1 4.476 0.017 . 1 . . . . 180 T HB . 17279 1 1761 . 1 1 153 153 THR HG21 H 1 1.656 0.016 . 1 . . . . 180 T HG21 . 17279 1 1762 . 1 1 153 153 THR HG22 H 1 1.656 0.016 . 1 . . . . 180 T HG21 . 17279 1 1763 . 1 1 153 153 THR HG23 H 1 1.656 0.016 . 1 . . . . 180 T HG21 . 17279 1 1764 . 1 1 153 153 THR C C 13 175.118 0.003 . 1 . . . . 180 T C . 17279 1 1765 . 1 1 153 153 THR CA C 13 65.187 0.075 . 1 . . . . 180 T CA . 17279 1 1766 . 1 1 153 153 THR CB C 13 69.963 0.045 . 1 . . . . 180 T CB . 17279 1 1767 . 1 1 153 153 THR CG2 C 13 22.373 0.031 . 1 . . . . 180 T CG2 . 17279 1 1768 . 1 1 153 153 THR N N 15 111.343 0.046 . 1 . . . . 180 T N . 17279 1 1769 . 1 1 154 154 GLN H H 1 7.021 0.005 . 1 . . . . 181 Q H . 17279 1 1770 . 1 1 154 154 GLN HA H 1 4.403 0.015 . 1 . . . . 181 Q HA . 17279 1 1771 . 1 1 154 154 GLN HB2 H 1 2.547 0.013 . 2 . . . . 181 Q HB2 . 17279 1 1772 . 1 1 154 154 GLN HB3 H 1 1.643 0.014 . 2 . . . . 181 Q HB3 . 17279 1 1773 . 1 1 154 154 GLN HG2 H 1 2.312 0.014 . 2 . . . . 181 Q HG2 . 17279 1 1774 . 1 1 154 154 GLN HG3 H 1 1.794 0.013 . 2 . . . . 181 Q HG3 . 17279 1 1775 . 1 1 154 154 GLN HE21 H 1 7.006 0.003 . 2 . . . . 181 Q HE21 . 17279 1 1776 . 1 1 154 154 GLN HE22 H 1 6.748 0.002 . 2 . . . . 181 Q HE22 . 17279 1 1777 . 1 1 154 154 GLN C C 13 174.430 0.003 . 1 . . . . 181 Q C . 17279 1 1778 . 1 1 154 154 GLN CA C 13 53.360 0.064 . 1 . . . . 181 Q CA . 17279 1 1779 . 1 1 154 154 GLN CB C 13 28.703 0.046 . 1 . . . . 181 Q CB . 17279 1 1780 . 1 1 154 154 GLN CG C 13 33.372 0.056 . 1 . . . . 181 Q CG . 17279 1 1781 . 1 1 154 154 GLN N N 15 116.998 0.050 . 1 . . . . 181 Q N . 17279 1 1782 . 1 1 154 154 GLN NE2 N 15 112.584 0.062 . 1 . . . . 181 Q NE2 . 17279 1 1783 . 1 1 155 155 ASN H H 1 7.937 0.004 . 1 . . . . 182 N H . 17279 1 1784 . 1 1 155 155 ASN HA H 1 4.422 0.019 . 1 . . . . 182 N HA . 17279 1 1785 . 1 1 155 155 ASN HB2 H 1 3.162 0.032 . 2 . . . . 182 N HB2 . 17279 1 1786 . 1 1 155 155 ASN HB3 H 1 2.952 0.014 . 2 . . . . 182 N HB3 . 17279 1 1787 . 1 1 155 155 ASN HD21 H 1 7.476 0.001 . 2 . . . . 182 N HD21 . 17279 1 1788 . 1 1 155 155 ASN HD22 H 1 6.783 0.001 . 2 . . . . 182 N HD22 . 17279 1 1789 . 1 1 155 155 ASN C C 13 173.907 0.003 . 1 . . . . 182 N C . 17279 1 1790 . 1 1 155 155 ASN CA C 13 54.869 0.050 . 1 . . . . 182 N CA . 17279 1 1791 . 1 1 155 155 ASN CB C 13 37.123 0.041 . 1 . . . . 182 N CB . 17279 1 1792 . 1 1 155 155 ASN N N 15 113.261 0.047 . 1 . . . . 182 N N . 17279 1 1793 . 1 1 155 155 ASN ND2 N 15 112.772 0.048 . 1 . . . . 182 N ND2 . 17279 1 1794 . 1 1 156 156 LEU H H 1 7.296 0.005 . 1 . . . . 183 L H . 17279 1 1795 . 1 1 156 156 LEU HA H 1 4.719 0.009 . 1 . . . . 183 L HA . 17279 1 1796 . 1 1 156 156 LEU HB2 H 1 1.595 0.009 . 2 . . . . 183 L HB2 . 17279 1 1797 . 1 1 156 156 LEU HB3 H 1 1.245 0.016 . 2 . . . . 183 L HB3 . 17279 1 1798 . 1 1 156 156 LEU HG H 1 1.616 0.006 . 1 . . . . 183 L HG . 17279 1 1799 . 1 1 156 156 LEU HD11 H 1 0.674 0.004 . 2 . . . . 183 L HD11 . 17279 1 1800 . 1 1 156 156 LEU HD12 H 1 0.674 0.004 . 2 . . . . 183 L HD11 . 17279 1 1801 . 1 1 156 156 LEU HD13 H 1 0.674 0.004 . 2 . . . . 183 L HD11 . 17279 1 1802 . 1 1 156 156 LEU HD21 H 1 0.782 0.019 . 2 . . . . 183 L HD21 . 17279 1 1803 . 1 1 156 156 LEU HD22 H 1 0.782 0.019 . 2 . . . . 183 L HD21 . 17279 1 1804 . 1 1 156 156 LEU HD23 H 1 0.782 0.019 . 2 . . . . 183 L HD21 . 17279 1 1805 . 1 1 156 156 LEU CA C 13 54.082 0.065 . 1 . . . . 183 L CA . 17279 1 1806 . 1 1 156 156 LEU CB C 13 42.669 0.080 . 1 . . . . 183 L CB . 17279 1 1807 . 1 1 156 156 LEU CG C 13 26.793 0.114 . 1 . . . . 183 L CG . 17279 1 1808 . 1 1 156 156 LEU CD1 C 13 26.825 0.046 . 2 . . . . 183 L CD1 . 17279 1 1809 . 1 1 156 156 LEU CD2 C 13 23.806 0.060 . 2 . . . . 183 L CD2 . 17279 1 1810 . 1 1 156 156 LEU N N 15 116.933 0.028 . 1 . . . . 183 L N . 17279 1 1811 . 1 1 157 157 THR H H 1 8.787 0.003 . 1 . . . . 184 T H . 17279 1 1812 . 1 1 157 157 THR HA H 1 4.682 0.010 . 1 . . . . 184 T HA . 17279 1 1813 . 1 1 157 157 THR HB H 1 4.622 0.013 . 1 . . . . 184 T HB . 17279 1 1814 . 1 1 157 157 THR HG21 H 1 1.254 0.017 . 1 . . . . 184 T HG21 . 17279 1 1815 . 1 1 157 157 THR HG22 H 1 1.254 0.017 . 1 . . . . 184 T HG21 . 17279 1 1816 . 1 1 157 157 THR HG23 H 1 1.254 0.017 . 1 . . . . 184 T HG21 . 17279 1 1817 . 1 1 157 157 THR C C 13 176.026 0.003 . 1 . . . . 184 T C . 17279 1 1818 . 1 1 157 157 THR CA C 13 60.464 0.047 . 1 . . . . 184 T CA . 17279 1 1819 . 1 1 157 157 THR CB C 13 72.429 0.061 . 1 . . . . 184 T CB . 17279 1 1820 . 1 1 157 157 THR CG2 C 13 21.546 0.024 . 1 . . . . 184 T CG2 . 17279 1 1821 . 1 1 157 157 THR N N 15 113.369 0.050 . 1 . . . . 184 T N . 17279 1 1822 . 1 1 158 158 LYS H H 1 8.628 0.003 . 1 . . . . 185 K H . 17279 1 1823 . 1 1 158 158 LYS HA H 1 4.159 0.033 . 1 . . . . 185 K HA . 17279 1 1824 . 1 1 158 158 LYS HB2 H 1 2.000 0.024 . 2 . . . . 185 K HB2 . 17279 1 1825 . 1 1 158 158 LYS HG2 H 1 1.530 0.017 . 2 . . . . 185 K HG2 . 17279 1 1826 . 1 1 158 158 LYS HG3 H 1 1.429 0.004 . 2 . . . . 185 K HG3 . 17279 1 1827 . 1 1 158 158 LYS HD2 H 1 1.743 0.005 . 2 . . . . 185 K HD2 . 17279 1 1828 . 1 1 158 158 LYS C C 13 178.063 0.003 . 1 . . . . 185 K C . 17279 1 1829 . 1 1 158 158 LYS CA C 13 59.573 0.084 . 1 . . . . 185 K CA . 17279 1 1830 . 1 1 158 158 LYS CB C 13 32.353 0.069 . 1 . . . . 185 K CB . 17279 1 1831 . 1 1 158 158 LYS CG C 13 25.116 0.070 . 1 . . . . 185 K CG . 17279 1 1832 . 1 1 158 158 LYS CD C 13 29.398 0.026 . 1 . . . . 185 K CD . 17279 1 1833 . 1 1 158 158 LYS CE C 13 42.367 0.031 . 1 . . . . 185 K CE . 17279 1 1834 . 1 1 158 158 LYS N N 15 119.248 0.021 . 1 . . . . 185 K N . 17279 1 1835 . 1 1 159 159 ASN H H 1 7.939 0.003 . 1 . . . . 186 N H . 17279 1 1836 . 1 1 159 159 ASN HA H 1 4.660 0.010 . 1 . . . . 186 N HA . 17279 1 1837 . 1 1 159 159 ASN HB2 H 1 2.881 0.022 . 2 . . . . 186 N HB2 . 17279 1 1838 . 1 1 159 159 ASN HB3 H 1 2.709 0.017 . 2 . . . . 186 N HB3 . 17279 1 1839 . 1 1 159 159 ASN HD21 H 1 7.624 0.002 . 2 . . . . 186 N HD21 . 17279 1 1840 . 1 1 159 159 ASN HD22 H 1 7.101 0.001 . 2 . . . . 186 N HD22 . 17279 1 1841 . 1 1 159 159 ASN C C 13 174.902 0.003 . 1 . . . . 186 N C . 17279 1 1842 . 1 1 159 159 ASN CA C 13 55.063 0.057 . 1 . . . . 186 N CA . 17279 1 1843 . 1 1 159 159 ASN CB C 13 39.009 0.075 . 1 . . . . 186 N CB . 17279 1 1844 . 1 1 159 159 ASN N N 15 115.725 0.032 . 1 . . . . 186 N N . 17279 1 1845 . 1 1 159 159 ASN ND2 N 15 113.297 0.066 . 1 . . . . 186 N ND2 . 17279 1 1846 . 1 1 160 160 ASN H H 1 8.050 0.002 . 1 . . . . 187 N H . 17279 1 1847 . 1 1 160 160 ASN HA H 1 5.080 0.014 . 1 . . . . 187 N HA . 17279 1 1848 . 1 1 160 160 ASN HB2 H 1 2.740 0.012 . 2 . . . . 187 N HB2 . 17279 1 1849 . 1 1 160 160 ASN CA C 13 54.089 0.056 . 1 . . . . 187 N CA . 17279 1 1850 . 1 1 160 160 ASN CB C 13 41.902 0.039 . 1 . . . . 187 N CB . 17279 1 1851 . 1 1 160 160 ASN N N 15 114.470 0.050 . 1 . . . . 187 N N . 17279 1 1852 . 1 1 162 162 LEU HA H 1 4.586 0.011 . 1 . . . . 189 L HA . 17279 1 1853 . 1 1 162 162 LEU HB2 H 1 1.635 0.008 . 2 . . . . 189 L HB2 . 17279 1 1854 . 1 1 162 162 LEU HB3 H 1 1.363 0.017 . 2 . . . . 189 L HB3 . 17279 1 1855 . 1 1 162 162 LEU HG H 1 1.446 0.008 . 1 . . . . 189 L HG . 17279 1 1856 . 1 1 162 162 LEU HD11 H 1 0.828 0.004 . 2 . . . . 189 L HD11 . 17279 1 1857 . 1 1 162 162 LEU HD12 H 1 0.828 0.004 . 2 . . . . 189 L HD11 . 17279 1 1858 . 1 1 162 162 LEU HD13 H 1 0.828 0.004 . 2 . . . . 189 L HD11 . 17279 1 1859 . 1 1 162 162 LEU C C 13 173.950 0.003 . 1 . . . . 189 L C . 17279 1 1860 . 1 1 162 162 LEU CA C 13 55.032 0.029 . 1 . . . . 189 L CA . 17279 1 1861 . 1 1 162 162 LEU CB C 13 46.043 0.028 . 1 . . . . 189 L CB . 17279 1 1862 . 1 1 162 162 LEU CG C 13 27.826 0.017 . 1 . . . . 189 L CG . 17279 1 1863 . 1 1 162 162 LEU CD1 C 13 25.120 0.043 . 2 . . . . 189 L CD1 . 17279 1 1864 . 1 1 163 163 PHE H H 1 8.716 0.003 . 1 . . . . 190 F H . 17279 1 1865 . 1 1 163 163 PHE HA H 1 5.286 0.012 . 1 . . . . 190 F HA . 17279 1 1866 . 1 1 163 163 PHE HB2 H 1 3.351 0.015 . 2 . . . . 190 F HB2 . 17279 1 1867 . 1 1 163 163 PHE HB3 H 1 2.981 0.010 . 2 . . . . 190 F HB3 . 17279 1 1868 . 1 1 163 163 PHE HD1 H 1 7.700 0.009 . 3 . . . . 190 F HD1 . 17279 1 1869 . 1 1 163 163 PHE HE1 H 1 7.348 0.006 . 3 . . . . 190 F HE1 . 17279 1 1870 . 1 1 163 163 PHE HZ H 1 7.331 0.004 . 1 . . . . 190 F HZ . 17279 1 1871 . 1 1 163 163 PHE CA C 13 55.108 0.044 . 1 . . . . 190 F CA . 17279 1 1872 . 1 1 163 163 PHE CB C 13 40.143 0.065 . 1 . . . . 190 F CB . 17279 1 1873 . 1 1 163 163 PHE CD1 C 13 133.335 0.075 . 3 . . . . 190 F CD1 . 17279 1 1874 . 1 1 163 163 PHE CE1 C 13 130.957 0.066 . 3 . . . . 190 F CE1 . 17279 1 1875 . 1 1 163 163 PHE CZ C 13 128.752 0.072 . 1 . . . . 190 F CZ . 17279 1 1876 . 1 1 163 163 PHE N N 15 123.079 0.042 . 1 . . . . 190 F N . 17279 1 1877 . 1 1 164 164 PRO HA H 1 4.470 0.019 . 1 . . . . 191 P HA . 17279 1 1878 . 1 1 164 164 PRO HB2 H 1 2.172 0.025 . 2 . . . . 191 P HB2 . 17279 1 1879 . 1 1 164 164 PRO HG2 H 1 2.283 0.008 . 2 . . . . 191 P HG2 . 17279 1 1880 . 1 1 164 164 PRO HG3 H 1 2.023 0.003 . 2 . . . . 191 P HG3 . 17279 1 1881 . 1 1 164 164 PRO HD2 H 1 3.915 0.016 . 2 . . . . 191 P HD2 . 17279 1 1882 . 1 1 164 164 PRO HD3 H 1 3.633 0.007 . 2 . . . . 191 P HD3 . 17279 1 1883 . 1 1 164 164 PRO C C 13 175.657 0.003 . 1 . . . . 191 P C . 17279 1 1884 . 1 1 164 164 PRO CA C 13 63.056 0.099 . 1 . . . . 191 P CA . 17279 1 1885 . 1 1 164 164 PRO CB C 13 32.744 0.043 . 1 . . . . 191 P CB . 17279 1 1886 . 1 1 164 164 PRO CG C 13 27.567 0.033 . 1 . . . . 191 P CG . 17279 1 1887 . 1 1 164 164 PRO CD C 13 51.156 0.068 . 1 . . . . 191 P CD . 17279 1 1888 . 1 1 165 165 ASP H H 1 8.460 0.005 . 1 . . . . 192 D H . 17279 1 1889 . 1 1 165 165 ASP HA H 1 4.824 0.003 . 1 . . . . 192 D HA . 17279 1 1890 . 1 1 165 165 ASP HB2 H 1 2.889 0.017 . 2 . . . . 192 D HB2 . 17279 1 1891 . 1 1 165 165 ASP CA C 13 54.170 0.054 . 1 . . . . 192 D CA . 17279 1 1892 . 1 1 165 165 ASP CB C 13 41.557 0.039 . 1 . . . . 192 D CB . 17279 1 1893 . 1 1 165 165 ASP N N 15 120.976 0.053 . 1 . . . . 192 D N . 17279 1 1894 . 1 1 166 166 LEU HA H 1 4.343 0.003 . 1 . . . . 193 L HA . 17279 1 1895 . 1 1 166 166 LEU HB2 H 1 1.673 0.003 . 2 . . . . 193 L HB2 . 17279 1 1896 . 1 1 166 166 LEU HG H 1 1.679 0.003 . 1 . . . . 193 L HG . 17279 1 1897 . 1 1 166 166 LEU HD11 H 1 0.863 0.030 . 2 . . . . 193 L HD11 . 17279 1 1898 . 1 1 166 166 LEU HD12 H 1 0.863 0.030 . 2 . . . . 193 L HD11 . 17279 1 1899 . 1 1 166 166 LEU HD13 H 1 0.863 0.030 . 2 . . . . 193 L HD11 . 17279 1 1900 . 1 1 166 166 LEU HD21 H 1 0.769 0.015 . 2 . . . . 193 L HD21 . 17279 1 1901 . 1 1 166 166 LEU HD22 H 1 0.769 0.015 . 2 . . . . 193 L HD21 . 17279 1 1902 . 1 1 166 166 LEU HD23 H 1 0.769 0.015 . 2 . . . . 193 L HD21 . 17279 1 1903 . 1 1 166 166 LEU C C 13 177.491 0.003 . 1 . . . . 193 L C . 17279 1 1904 . 1 1 166 166 LEU CA C 13 56.183 0.090 . 1 . . . . 193 L CA . 17279 1 1905 . 1 1 166 166 LEU CB C 13 41.834 0.003 . 1 . . . . 193 L CB . 17279 1 1906 . 1 1 166 166 LEU CG C 13 27.578 0.003 . 1 . . . . 193 L CG . 17279 1 1907 . 1 1 166 166 LEU CD1 C 13 25.460 0.076 . 2 . . . . 193 L CD1 . 17279 1 1908 . 1 1 166 166 LEU CD2 C 13 23.984 0.036 . 2 . . . . 193 L CD2 . 17279 1 1909 . 1 1 167 167 THR H H 1 8.079 0.004 . 1 . . . . 194 T H . 17279 1 1910 . 1 1 167 167 THR HA H 1 3.962 0.014 . 1 . . . . 194 T HA . 17279 1 1911 . 1 1 167 167 THR HB H 1 4.145 0.015 . 1 . . . . 194 T HB . 17279 1 1912 . 1 1 167 167 THR HG21 H 1 1.207 0.004 . 1 . . . . 194 T HG21 . 17279 1 1913 . 1 1 167 167 THR HG22 H 1 1.207 0.004 . 1 . . . . 194 T HG21 . 17279 1 1914 . 1 1 167 167 THR HG23 H 1 1.207 0.004 . 1 . . . . 194 T HG21 . 17279 1 1915 . 1 1 167 167 THR C C 13 175.252 0.003 . 1 . . . . 194 T C . 17279 1 1916 . 1 1 167 167 THR CA C 13 64.905 0.054 . 1 . . . . 194 T CA . 17279 1 1917 . 1 1 167 167 THR CB C 13 69.502 0.046 . 1 . . . . 194 T CB . 17279 1 1918 . 1 1 167 167 THR CG2 C 13 21.914 0.036 . 1 . . . . 194 T CG2 . 17279 1 1919 . 1 1 167 167 THR N N 15 112.803 0.041 . 1 . . . . 194 T N . 17279 1 1920 . 1 1 168 168 ASP H H 1 8.014 0.003 . 1 . . . . 195 D H . 17279 1 1921 . 1 1 168 168 ASP HA H 1 4.454 0.029 . 1 . . . . 195 D HA . 17279 1 1922 . 1 1 168 168 ASP HB2 H 1 2.644 0.007 . 2 . . . . 195 D HB2 . 17279 1 1923 . 1 1 168 168 ASP HB3 H 1 2.611 0.003 . 2 . . . . 195 D HB3 . 17279 1 1924 . 1 1 168 168 ASP C C 13 176.546 0.003 . 1 . . . . 195 D C . 17279 1 1925 . 1 1 168 168 ASP CA C 13 55.343 0.050 . 1 . . . . 195 D CA . 17279 1 1926 . 1 1 168 168 ASP CB C 13 40.238 0.066 . 1 . . . . 195 D CB . 17279 1 1927 . 1 1 168 168 ASP N N 15 119.664 0.069 . 1 . . . . 195 D N . 17279 1 1928 . 1 1 169 169 TRP H H 1 7.587 0.002 . 1 . . . . 196 W H . 17279 1 1929 . 1 1 169 169 TRP HA H 1 4.366 0.017 . 1 . . . . 196 W HA . 17279 1 1930 . 1 1 169 169 TRP HB2 H 1 3.067 0.017 . 2 . . . . 196 W HB2 . 17279 1 1931 . 1 1 169 169 TRP HB3 H 1 3.058 0.017 . 2 . . . . 196 W HB3 . 17279 1 1932 . 1 1 169 169 TRP HD1 H 1 7.004 0.005 . 1 . . . . 196 W HD1 . 17279 1 1933 . 1 1 169 169 TRP HE1 H 1 9.802 0.003 . 1 . . . . 196 W HE1 . 17279 1 1934 . 1 1 169 169 TRP HZ2 H 1 7.396 0.002 . 1 . . . . 196 W HZ2 . 17279 1 1935 . 1 1 169 169 TRP C C 13 176.263 0.003 . 1 . . . . 196 W C . 17279 1 1936 . 1 1 169 169 TRP CA C 13 58.821 0.064 . 1 . . . . 196 W CA . 17279 1 1937 . 1 1 169 169 TRP CB C 13 29.329 0.082 . 1 . . . . 196 W CB . 17279 1 1938 . 1 1 169 169 TRP CD1 C 13 126.864 0.082 . 1 . . . . 196 W CD1 . 17279 1 1939 . 1 1 169 169 TRP CZ2 C 13 114.620 0.065 . 1 . . . . 196 W CZ2 . 17279 1 1940 . 1 1 169 169 TRP N N 15 121.299 0.051 . 1 . . . . 196 W N . 17279 1 1941 . 1 1 169 169 TRP NE1 N 15 128.322 0.045 . 1 . . . . 196 W NE1 . 17279 1 1942 . 1 1 170 170 LEU H H 1 7.765 0.004 . 1 . . . . 197 L H . 17279 1 1943 . 1 1 170 170 LEU HA H 1 3.969 0.016 . 1 . . . . 197 L HA . 17279 1 1944 . 1 1 170 170 LEU HB2 H 1 1.588 0.026 . 2 . . . . 197 L HB2 . 17279 1 1945 . 1 1 170 170 LEU HB3 H 1 1.446 0.006 . 2 . . . . 197 L HB3 . 17279 1 1946 . 1 1 170 170 LEU HG H 1 1.522 0.029 . 1 . . . . 197 L HG . 17279 1 1947 . 1 1 170 170 LEU HD11 H 1 0.781 0.016 . 2 . . . . 197 L HD11 . 17279 1 1948 . 1 1 170 170 LEU HD12 H 1 0.781 0.016 . 2 . . . . 197 L HD11 . 17279 1 1949 . 1 1 170 170 LEU HD13 H 1 0.781 0.016 . 2 . . . . 197 L HD11 . 17279 1 1950 . 1 1 170 170 LEU HD21 H 1 0.669 0.019 . 2 . . . . 197 L HD21 . 17279 1 1951 . 1 1 170 170 LEU HD22 H 1 0.669 0.019 . 2 . . . . 197 L HD21 . 17279 1 1952 . 1 1 170 170 LEU HD23 H 1 0.669 0.019 . 2 . . . . 197 L HD21 . 17279 1 1953 . 1 1 170 170 LEU C C 13 177.660 0.003 . 1 . . . . 197 L C . 17279 1 1954 . 1 1 170 170 LEU CA C 13 56.366 0.095 . 1 . . . . 197 L CA . 17279 1 1955 . 1 1 170 170 LEU CB C 13 42.335 0.080 . 1 . . . . 197 L CB . 17279 1 1956 . 1 1 170 170 LEU CG C 13 27.159 0.052 . 1 . . . . 197 L CG . 17279 1 1957 . 1 1 170 170 LEU CD1 C 13 25.251 0.037 . 2 . . . . 197 L CD1 . 17279 1 1958 . 1 1 170 170 LEU CD2 C 13 23.371 0.069 . 2 . . . . 197 L CD2 . 17279 1 1959 . 1 1 170 170 LEU N N 15 118.886 0.039 . 1 . . . . 197 L N . 17279 1 1960 . 1 1 171 171 LEU H H 1 7.405 0.005 . 1 . . . . 198 L H . 17279 1 1961 . 1 1 171 171 LEU HA H 1 4.283 0.022 . 1 . . . . 198 L HA . 17279 1 1962 . 1 1 171 171 LEU HB2 H 1 1.668 0.002 . 2 . . . . 198 L HB2 . 17279 1 1963 . 1 1 171 171 LEU HB3 H 1 1.570 0.018 . 2 . . . . 198 L HB3 . 17279 1 1964 . 1 1 171 171 LEU HG H 1 1.581 0.009 . 1 . . . . 198 L HG . 17279 1 1965 . 1 1 171 171 LEU HD11 H 1 0.895 0.017 . 2 . . . . 198 L HD11 . 17279 1 1966 . 1 1 171 171 LEU HD12 H 1 0.895 0.017 . 2 . . . . 198 L HD11 . 17279 1 1967 . 1 1 171 171 LEU HD13 H 1 0.895 0.017 . 2 . . . . 198 L HD11 . 17279 1 1968 . 1 1 171 171 LEU HD21 H 1 0.810 0.015 . 2 . . . . 198 L HD21 . 17279 1 1969 . 1 1 171 171 LEU HD22 H 1 0.810 0.015 . 2 . . . . 198 L HD21 . 17279 1 1970 . 1 1 171 171 LEU HD23 H 1 0.810 0.015 . 2 . . . . 198 L HD21 . 17279 1 1971 . 1 1 171 171 LEU CA C 13 55.506 0.065 . 1 . . . . 198 L CA . 17279 1 1972 . 1 1 171 171 LEU CB C 13 42.935 0.074 . 1 . . . . 198 L CB . 17279 1 1973 . 1 1 171 171 LEU CG C 13 27.131 0.020 . 1 . . . . 198 L CG . 17279 1 1974 . 1 1 171 171 LEU CD1 C 13 25.139 0.028 . 2 . . . . 198 L CD1 . 17279 1 1975 . 1 1 171 171 LEU CD2 C 13 23.937 0.044 . 2 . . . . 198 L CD2 . 17279 1 1976 . 1 1 171 171 LEU N N 15 118.983 0.024 . 1 . . . . 198 L N . 17279 1 1977 . 1 1 173 173 PRO HA H 1 4.714 0.003 . 1 . . . . 200 P HA . 17279 1 1978 . 1 1 173 173 PRO HB2 H 1 2.407 0.008 . 2 . . . . 200 P HB2 . 17279 1 1979 . 1 1 173 173 PRO HB3 H 1 2.105 0.003 . 2 . . . . 200 P HB3 . 17279 1 1980 . 1 1 173 173 PRO CA C 13 62.923 0.015 . 1 . . . . 200 P CA . 17279 1 1981 . 1 1 173 173 PRO CB C 13 34.703 0.043 . 1 . . . . 200 P CB . 17279 1 1982 . 1 1 174 174 LYS H H 1 8.638 0.004 . 1 . . . . 201 K H . 17279 1 1983 . 1 1 174 174 LYS HA H 1 4.195 0.002 . 1 . . . . 201 K HA . 17279 1 1984 . 1 1 174 174 LYS HB2 H 1 2.064 0.003 . 2 . . . . 201 K HB2 . 17279 1 1985 . 1 1 174 174 LYS C C 13 177.406 0.003 . 1 . . . . 201 K C . 17279 1 1986 . 1 1 174 174 LYS CA C 13 57.510 0.015 . 1 . . . . 201 K CA . 17279 1 1987 . 1 1 174 174 LYS CB C 13 29.694 0.003 . 1 . . . . 201 K CB . 17279 1 1988 . 1 1 174 174 LYS N N 15 121.539 0.020 . 1 . . . . 201 K N . 17279 1 1989 . 1 1 175 175 VAL H H 1 7.740 0.003 . 1 . . . . 202 V H . 17279 1 1990 . 1 1 175 175 VAL HA H 1 4.031 0.013 . 1 . . . . 202 V HA . 17279 1 1991 . 1 1 175 175 VAL HB H 1 2.199 0.017 . 1 . . . . 202 V HB . 17279 1 1992 . 1 1 175 175 VAL HG11 H 1 1.029 0.020 . 2 . . . . 202 V HG11 . 17279 1 1993 . 1 1 175 175 VAL HG12 H 1 1.029 0.020 . 2 . . . . 202 V HG11 . 17279 1 1994 . 1 1 175 175 VAL HG13 H 1 1.029 0.020 . 2 . . . . 202 V HG11 . 17279 1 1995 . 1 1 175 175 VAL HG21 H 1 1.017 0.003 . 2 . . . . 202 V HG21 . 17279 1 1996 . 1 1 175 175 VAL HG22 H 1 1.017 0.003 . 2 . . . . 202 V HG21 . 17279 1 1997 . 1 1 175 175 VAL HG23 H 1 1.017 0.003 . 2 . . . . 202 V HG21 . 17279 1 1998 . 1 1 175 175 VAL C C 13 176.513 0.003 . 1 . . . . 202 V C . 17279 1 1999 . 1 1 175 175 VAL CA C 13 63.802 0.036 . 1 . . . . 202 V CA . 17279 1 2000 . 1 1 175 175 VAL CB C 13 32.746 0.044 . 1 . . . . 202 V CB . 17279 1 2001 . 1 1 175 175 VAL CG1 C 13 21.453 0.049 . 2 . . . . 202 V CG1 . 17279 1 2002 . 1 1 175 175 VAL N N 15 118.868 0.033 . 1 . . . . 202 V N . 17279 1 2003 . 1 1 176 176 CYS H H 1 8.068 0.005 . 1 . . . . 203 C H . 17279 1 2004 . 1 1 176 176 CYS HA H 1 4.726 0.006 . 1 . . . . 203 C HA . 17279 1 2005 . 1 1 176 176 CYS HB2 H 1 3.088 0.015 . 2 . . . . 203 C HB2 . 17279 1 2006 . 1 1 176 176 CYS CA C 13 55.839 0.106 . 1 . . . . 203 C CA . 17279 1 2007 . 1 1 176 176 CYS CB C 13 40.251 0.048 . 1 . . . . 203 C CB . 17279 1 2008 . 1 1 176 176 CYS N N 15 118.425 0.055 . 1 . . . . 203 C N . 17279 1 stop_ save_