data_17752 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17752 _Entry.Title ; SOLUTION STRUCTURE OF THE HUMAN PROLACTIN RECEPTOR ECD DOMAIN D2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-30 _Entry.Accession_date 2011-06-30 _Entry.Last_release_date 2012-02-13 _Entry.Original_release_date 2012-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Robert Dagil . . . 17752 2 Maiken Knudsen . J. . 17752 3 Birthe Kragelund . B. . 17752 4 Charlotte O'Shea . . . 17752 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17752 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cytokine receptor' . 17752 'D2 domain' . 17752 'Extracellular domain' . 17752 'Fibronectin type III' . 17752 'Hormone receptor' . 17752 'Prolactin receptor' . 17752 WSXWS . 17752 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17752 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 17752 '15N chemical shifts' 112 17752 '1H chemical shifts' 809 17752 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-02-13 2011-06-30 original author . 17752 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1RW5 'Human prolactin' 17752 PDB 2LFG 'BMRB Entry Tracking System' 17752 PDB 3D48 '1:1 complex' 17752 PDB 3EW3 '2:1 complex' 17752 PDB 3MZG '1:1 complex' 17752 PDB 3NPZ '2:1 complex' 17752 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17752 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The WSXWS Motif in Cytokine Receptors Is a Molecular Switch Involved in Receptor Activation: Insight from Structures of the Prolactin Receptor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 2 _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 270 _Citation.Page_last 282 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Dagil . . . 17752 1 2 Maiken Knudsen . J. . 17752 1 3 Johan Olsen . G. . 17752 1 4 Charlotte O'Shea . . . 17752 1 5 Magnus Franzmann . . . 17752 1 6 Vincent Goffin . . . 17752 1 7 Kaare Teilum . . . 17752 1 8 Jens Breinholt . . . 17752 1 9 Birthe Kragelund . B. . 17752 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17752 _Assembly.ID 1 _Assembly.Name hPRLR-D2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13328.4 _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 hPRLR-D2 1 $hPRLR-D2 A . yes native no no . . . 17752 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPRLR-D2 _Entity.Sf_category entity _Entity.Sf_framecode hPRLR-D2 _Entity.Entry_ID 17752 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hPRLR-D2 _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 ; MYIVQPDPPLELAVEVKQPE DRKPYLWIKWSPPTLIDLKT GWFTLLYEIRLKPEKAAEWE IHFAGQQTEFKILSLHPGQK YLVQVRCKPDHGYWSAWSPA TFIQIPSDFTMND ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 98-210 _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment hPRLR-D2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13328.4 _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 1BP3 . "The Xray Structure Of A Growth Hormone-Prolactin Receptor Complex" . . . . . 99.12 211 100.00 100.00 1.44e-74 . . . . 17752 1 2 no PDB 2LFG . "Solution Structure Of The Human Prolactin Receptor Ecd Domain D2" . . . . . 100.00 113 100.00 100.00 3.36e-76 . . . . 17752 1 3 no PDB 3D48 . "Crystal Structure Of A Prolactin Receptor Antagonist Bound To The Extracellular Domain Of The Prolactin Receptor" . . . . . 99.12 211 100.00 100.00 1.53e-74 . . . . 17752 1 4 no PDB 3MZG . "Crystal Structure Of A Human Prolactin Receptor Antagonist In Complex With The Extracellular Domain Of The Human Prolactin Rece" . . . . . 99.12 210 100.00 100.00 1.51e-74 . . . . 17752 1 5 no PDB 3N06 . "A Mutant Human Prolactin Receptor Antagonist H27a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" . . . . . 99.12 210 100.00 100.00 1.51e-74 . . . . 17752 1 6 no PDB 3N0P . "A Mutant Human Prolactin Receptor Antagonist H30a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" . . . . . 99.12 210 100.00 100.00 1.51e-74 . . . . 17752 1 7 no PDB 3NCB . "A Mutant Human Prolactin Receptor Antagonist H180a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" . . . . . 99.12 210 100.00 100.00 1.51e-74 . . . . 17752 1 8 no PDB 3NCC . "A Human Prolactin Receptor Antagonist In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin Receptor" . . . . . 99.12 210 99.11 99.11 2.88e-73 . . . . 17752 1 9 no PDB 3NCE . "A Mutant Human Prolactin Receptor Antagonist H27a In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin " . . . . . 99.12 210 99.11 99.11 2.88e-73 . . . . 17752 1 10 no PDB 3NCF . "A Mutant Human Prolactin Receptor Antagonist H30a In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin " . . . . . 99.12 210 99.11 99.11 2.88e-73 . . . . 17752 1 11 no PDB 4I18 . "Crystal Structure Of Human Prolactin Receptor Complexed With Fab Fragment" . . . . . 99.12 211 100.00 100.00 1.44e-74 . . . . 17752 1 12 no DBJ BAG36079 . "unnamed protein product [Homo sapiens]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 13 no DBJ BAG73583 . "prolactin receptor [synthetic construct]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 14 no EMBL CAH91100 . "hypothetical protein [Pongo abelii]" . . . . . 99.12 622 100.00 100.00 7.23e-72 . . . . 17752 1 15 no EMBL CAL38328 . "hypothetical protein [synthetic construct]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 16 no EMBL CAL38451 . "hypothetical protein [synthetic construct]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 17 no GB AAA60174 . "prolactin receptor [Homo sapiens]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 18 no GB AAB34470 . "prolactin receptor, partial [Homo sapiens]" . . . . . 93.81 206 100.00 100.00 4.63e-69 . . . . 17752 1 19 no GB AAD32032 . "prolactin receptor [Homo sapiens]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 20 no GB AAD49855 . "intermediate prolactin receptor isoform [Homo sapiens]" . . . . . 99.12 349 100.00 100.00 5.61e-74 . . . . 17752 1 21 no GB AAH59392 . "Prolactin receptor [Homo sapiens]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 22 no REF NP_000940 . "prolactin receptor isoform 1 precursor [Homo sapiens]" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 1 23 no REF NP_001153263 . "prolactin receptor precursor [Pongo abelii]" . . . . . 99.12 622 100.00 100.00 7.23e-72 . . . . 17752 1 24 no REF NP_001191243 . "prolactin receptor isoform 6 precursor [Homo sapiens]" . . . . . 97.35 521 100.00 100.00 2.92e-71 . . . . 17752 1 25 no REF NP_001191244 . "prolactin receptor isoform 2 precursor [Homo sapiens]" . . . . . 99.12 349 100.00 100.00 5.61e-74 . . . . 17752 1 26 no REF NP_001191245 . "prolactin receptor isoform 3 precursor [Homo sapiens]" . . . . . 99.12 376 100.00 100.00 7.07e-74 . . . . 17752 1 27 no SP P16471 . "RecName: Full=Prolactin receptor; Short=PRL-R; Flags: Precursor" . . . . . 99.12 622 100.00 100.00 7.31e-72 . . . . 17752 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 98 MET . 17752 1 2 99 TYR . 17752 1 3 100 ILE . 17752 1 4 101 VAL . 17752 1 5 102 GLN . 17752 1 6 103 PRO . 17752 1 7 104 ASP . 17752 1 8 105 PRO . 17752 1 9 106 PRO . 17752 1 10 107 LEU . 17752 1 11 108 GLU . 17752 1 12 109 LEU . 17752 1 13 110 ALA . 17752 1 14 111 VAL . 17752 1 15 112 GLU . 17752 1 16 113 VAL . 17752 1 17 114 LYS . 17752 1 18 115 GLN . 17752 1 19 116 PRO . 17752 1 20 117 GLU . 17752 1 21 118 ASP . 17752 1 22 119 ARG . 17752 1 23 120 LYS . 17752 1 24 121 PRO . 17752 1 25 122 TYR . 17752 1 26 123 LEU . 17752 1 27 124 TRP . 17752 1 28 125 ILE . 17752 1 29 126 LYS . 17752 1 30 127 TRP . 17752 1 31 128 SER . 17752 1 32 129 PRO . 17752 1 33 130 PRO . 17752 1 34 131 THR . 17752 1 35 132 LEU . 17752 1 36 133 ILE . 17752 1 37 134 ASP . 17752 1 38 135 LEU . 17752 1 39 136 LYS . 17752 1 40 137 THR . 17752 1 41 138 GLY . 17752 1 42 139 TRP . 17752 1 43 140 PHE . 17752 1 44 141 THR . 17752 1 45 142 LEU . 17752 1 46 143 LEU . 17752 1 47 144 TYR . 17752 1 48 145 GLU . 17752 1 49 146 ILE . 17752 1 50 147 ARG . 17752 1 51 148 LEU . 17752 1 52 149 LYS . 17752 1 53 150 PRO . 17752 1 54 151 GLU . 17752 1 55 152 LYS . 17752 1 56 153 ALA . 17752 1 57 154 ALA . 17752 1 58 155 GLU . 17752 1 59 156 TRP . 17752 1 60 157 GLU . 17752 1 61 158 ILE . 17752 1 62 159 HIS . 17752 1 63 160 PHE . 17752 1 64 161 ALA . 17752 1 65 162 GLY . 17752 1 66 163 GLN . 17752 1 67 164 GLN . 17752 1 68 165 THR . 17752 1 69 166 GLU . 17752 1 70 167 PHE . 17752 1 71 168 LYS . 17752 1 72 169 ILE . 17752 1 73 170 LEU . 17752 1 74 171 SER . 17752 1 75 172 LEU . 17752 1 76 173 HIS . 17752 1 77 174 PRO . 17752 1 78 175 GLY . 17752 1 79 176 GLN . 17752 1 80 177 LYS . 17752 1 81 178 TYR . 17752 1 82 179 LEU . 17752 1 83 180 VAL . 17752 1 84 181 GLN . 17752 1 85 182 VAL . 17752 1 86 183 ARG . 17752 1 87 184 CYS . 17752 1 88 185 LYS . 17752 1 89 186 PRO . 17752 1 90 187 ASP . 17752 1 91 188 HIS . 17752 1 92 189 GLY . 17752 1 93 190 TYR . 17752 1 94 191 TRP . 17752 1 95 192 SER . 17752 1 96 193 ALA . 17752 1 97 194 TRP . 17752 1 98 195 SER . 17752 1 99 196 PRO . 17752 1 100 197 ALA . 17752 1 101 198 THR . 17752 1 102 199 PHE . 17752 1 103 200 ILE . 17752 1 104 201 GLN . 17752 1 105 202 ILE . 17752 1 106 203 PRO . 17752 1 107 204 SER . 17752 1 108 205 ASP . 17752 1 109 206 PHE . 17752 1 110 207 THR . 17752 1 111 208 MET . 17752 1 112 209 ASN . 17752 1 113 210 ASP . 17752 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 17752 1 . TYR 2 2 17752 1 . ILE 3 3 17752 1 . VAL 4 4 17752 1 . GLN 5 5 17752 1 . PRO 6 6 17752 1 . ASP 7 7 17752 1 . PRO 8 8 17752 1 . PRO 9 9 17752 1 . LEU 10 10 17752 1 . GLU 11 11 17752 1 . LEU 12 12 17752 1 . ALA 13 13 17752 1 . VAL 14 14 17752 1 . GLU 15 15 17752 1 . VAL 16 16 17752 1 . LYS 17 17 17752 1 . GLN 18 18 17752 1 . PRO 19 19 17752 1 . GLU 20 20 17752 1 . ASP 21 21 17752 1 . ARG 22 22 17752 1 . LYS 23 23 17752 1 . PRO 24 24 17752 1 . TYR 25 25 17752 1 . LEU 26 26 17752 1 . TRP 27 27 17752 1 . ILE 28 28 17752 1 . LYS 29 29 17752 1 . TRP 30 30 17752 1 . SER 31 31 17752 1 . PRO 32 32 17752 1 . PRO 33 33 17752 1 . THR 34 34 17752 1 . LEU 35 35 17752 1 . ILE 36 36 17752 1 . ASP 37 37 17752 1 . LEU 38 38 17752 1 . LYS 39 39 17752 1 . THR 40 40 17752 1 . GLY 41 41 17752 1 . TRP 42 42 17752 1 . PHE 43 43 17752 1 . THR 44 44 17752 1 . LEU 45 45 17752 1 . LEU 46 46 17752 1 . TYR 47 47 17752 1 . GLU 48 48 17752 1 . ILE 49 49 17752 1 . ARG 50 50 17752 1 . LEU 51 51 17752 1 . LYS 52 52 17752 1 . PRO 53 53 17752 1 . GLU 54 54 17752 1 . LYS 55 55 17752 1 . ALA 56 56 17752 1 . ALA 57 57 17752 1 . GLU 58 58 17752 1 . TRP 59 59 17752 1 . GLU 60 60 17752 1 . ILE 61 61 17752 1 . HIS 62 62 17752 1 . PHE 63 63 17752 1 . ALA 64 64 17752 1 . GLY 65 65 17752 1 . GLN 66 66 17752 1 . GLN 67 67 17752 1 . THR 68 68 17752 1 . GLU 69 69 17752 1 . PHE 70 70 17752 1 . LYS 71 71 17752 1 . ILE 72 72 17752 1 . LEU 73 73 17752 1 . SER 74 74 17752 1 . LEU 75 75 17752 1 . HIS 76 76 17752 1 . PRO 77 77 17752 1 . GLY 78 78 17752 1 . GLN 79 79 17752 1 . LYS 80 80 17752 1 . TYR 81 81 17752 1 . LEU 82 82 17752 1 . VAL 83 83 17752 1 . GLN 84 84 17752 1 . VAL 85 85 17752 1 . ARG 86 86 17752 1 . CYS 87 87 17752 1 . LYS 88 88 17752 1 . PRO 89 89 17752 1 . ASP 90 90 17752 1 . HIS 91 91 17752 1 . GLY 92 92 17752 1 . TYR 93 93 17752 1 . TRP 94 94 17752 1 . SER 95 95 17752 1 . ALA 96 96 17752 1 . TRP 97 97 17752 1 . SER 98 98 17752 1 . PRO 99 99 17752 1 . ALA 100 100 17752 1 . THR 101 101 17752 1 . PHE 102 102 17752 1 . ILE 103 103 17752 1 . GLN 104 104 17752 1 . ILE 105 105 17752 1 . PRO 106 106 17752 1 . SER 107 107 17752 1 . ASP 108 108 17752 1 . PHE 109 109 17752 1 . THR 110 110 17752 1 . MET 111 111 17752 1 . ASN 112 112 17752 1 . ASP 113 113 17752 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 17752 _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 $hPRLR-D2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17752 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 17752 _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 $hPRLR-D2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET11A . . . . . . 17752 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17752 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hPRLR-D2 '[U-100% 13C; U-100% 15N]' . . 1 $hPRLR-D2 . . 0.5 . . mM . . . . 17752 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17752 1 3 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 17752 1 4 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 17752 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17752 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17752 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17752 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17752 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hPRLR-D2 '[U-100% 13C(1)]' . . 1 $hPRLR-D2 . . 0.5 . . mM . . . . 17752 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17752 2 3 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 17752 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17752 2 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 17752 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17752 2 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 17752 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 17752 1 pressure 1 . atm 17752 1 temperature 298 . K 17752 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17752 _Software.ID 1 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17752 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17752 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17752 _Software.ID 2 _Software.Name CYANA _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17752 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17752 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17752 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.25 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17752 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17752 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17752 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17752 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17752 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17752 _Software.ID 5 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17752 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17752 5 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 17752 _Software.ID 6 _Software.Name CCPN _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17752 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17752 6 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17752 _Software.ID 7 _Software.Name ARIA _Software.Version 2.3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17752 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Water refinement' 17752 7 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 17752 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17752 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17752 _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 Varian INOVA . 800 . . . 17752 1 2 spectrometer_2 Bruker Avance . 800 . . . 17752 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 17752 _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_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17752 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17752 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 17752 _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 internal indirect 0.251449530 . . . . . . . . . 17752 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 17752 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17752 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 17752 _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' . . . 17752 1 3 '3D C(CO)NH' . . . 17752 1 4 '3D HNCO' . . . 17752 1 5 '3D HNCA' . . . 17752 1 6 '3D HNCACB' . . . 17752 1 7 '3D HN(CO)CA' . . . 17752 1 8 '3D H(CCO)NH' . . . 17752 1 9 '3D CBCA(CO)NH' . . . 17752 1 12 '3D 1H-15N TOCSY' . . . 17752 1 13 '3D HCCH-TOCSY' . . . 17752 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 1 1 MET HA H 1 3.947 0.001 . 1 . . . A 98 MET HA . 17752 1 2 . 1 1 1 1 MET HB3 H 1 2.025 0.004 . 2 . . . A 98 MET HB3 . 17752 1 3 . 1 1 1 1 MET HG3 H 1 2.444 0.005 . 2 . . . A 98 MET HG3 . 17752 1 4 . 1 1 1 1 MET HE1 H 1 1.975 0.000 . . . . . A 98 MET HE1 . 17752 1 5 . 1 1 1 1 MET HE2 H 1 1.975 0.000 . . . . . A 98 MET HE2 . 17752 1 6 . 1 1 1 1 MET HE3 H 1 1.975 0.000 . . . . . A 98 MET HE3 . 17752 1 7 . 1 1 1 1 MET CA C 13 54.876 0.000 . 1 . . . A 98 MET CA . 17752 1 8 . 1 1 1 1 MET CB C 13 33.216 0.000 . 1 . . . A 98 MET CB . 17752 1 9 . 1 1 1 1 MET CG C 13 31.107 0.000 . 1 . . . A 98 MET CG . 17752 1 10 . 1 1 1 1 MET CE C 13 16.234 0.000 . 1 . . . A 98 MET CE . 17752 1 11 . 1 1 2 2 TYR HA H 1 4.624 0.015 . 1 . . . A 99 TYR HA . 17752 1 12 . 1 1 2 2 TYR HB2 H 1 2.862 0.010 . 2 . . . A 99 TYR HB2 . 17752 1 13 . 1 1 2 2 TYR HB3 H 1 2.934 0.023 . 2 . . . A 99 TYR HB3 . 17752 1 14 . 1 1 2 2 TYR HD1 H 1 7.018 0.004 . 3 . . . A 99 TYR HD1 . 17752 1 15 . 1 1 2 2 TYR HD2 H 1 7.018 0.004 . 3 . . . A 99 TYR HD2 . 17752 1 16 . 1 1 2 2 TYR HE1 H 1 6.745 0.006 . 3 . . . A 99 TYR HE1 . 17752 1 17 . 1 1 2 2 TYR HE2 H 1 6.745 0.006 . 3 . . . A 99 TYR HE2 . 17752 1 18 . 1 1 2 2 TYR C C 13 174.994 0.000 . 1 . . . A 99 TYR C . 17752 1 19 . 1 1 2 2 TYR CA C 13 57.524 0.040 . 1 . . . A 99 TYR CA . 17752 1 20 . 1 1 2 2 TYR CB C 13 38.543 0.011 . 1 . . . A 99 TYR CB . 17752 1 21 . 1 1 2 2 TYR CD1 C 13 133.065 0.010 . 3 . . . A 99 TYR CD1 . 17752 1 22 . 1 1 2 2 TYR CD2 C 13 133.065 0.010 . 3 . . . A 99 TYR CD2 . 17752 1 23 . 1 1 2 2 TYR CE1 C 13 118.250 0.014 . 3 . . . A 99 TYR CE1 . 17752 1 24 . 1 1 2 2 TYR CE2 C 13 118.250 0.014 . 3 . . . A 99 TYR CE2 . 17752 1 25 . 1 1 3 3 ILE H H 1 8.034 0.003 . 1 . . . A 100 ILE H . 17752 1 26 . 1 1 3 3 ILE HA H 1 4.058 0.009 . 1 . . . A 100 ILE HA . 17752 1 27 . 1 1 3 3 ILE HB H 1 1.651 0.008 . 1 . . . A 100 ILE HB . 17752 1 28 . 1 1 3 3 ILE HG12 H 1 1.311 0.005 . 2 . . . A 100 ILE HG12 . 17752 1 29 . 1 1 3 3 ILE HG13 H 1 0.986 0.011 . 2 . . . A 100 ILE HG13 . 17752 1 30 . 1 1 3 3 ILE HG21 H 1 0.594 0.005 . . . . . A 100 ILE HG21 . 17752 1 31 . 1 1 3 3 ILE HG22 H 1 0.594 0.005 . . . . . A 100 ILE HG22 . 17752 1 32 . 1 1 3 3 ILE HG23 H 1 0.594 0.005 . . . . . A 100 ILE HG23 . 17752 1 33 . 1 1 3 3 ILE HD11 H 1 0.688 0.003 . . . . . A 100 ILE HD11 . 17752 1 34 . 1 1 3 3 ILE HD12 H 1 0.688 0.003 . . . . . A 100 ILE HD12 . 17752 1 35 . 1 1 3 3 ILE HD13 H 1 0.688 0.003 . . . . . A 100 ILE HD13 . 17752 1 36 . 1 1 3 3 ILE C C 13 174.994 0.036 . 1 . . . A 100 ILE C . 17752 1 37 . 1 1 3 3 ILE CA C 13 60.621 0.016 . 1 . . . A 100 ILE CA . 17752 1 38 . 1 1 3 3 ILE CB C 13 38.685 0.011 . 1 . . . A 100 ILE CB . 17752 1 39 . 1 1 3 3 ILE CG1 C 13 27.004 0.000 . 1 . . . A 100 ILE CG1 . 17752 1 40 . 1 1 3 3 ILE CG2 C 13 17.334 0.000 . 1 . . . A 100 ILE CG2 . 17752 1 41 . 1 1 3 3 ILE CD1 C 13 12.573 0.023 . 1 . . . A 100 ILE CD1 . 17752 1 42 . 1 1 3 3 ILE N N 15 124.242 0.043 . 1 . . . A 100 ILE N . 17752 1 43 . 1 1 4 4 VAL H H 1 7.858 0.004 . 1 . . . A 101 VAL H . 17752 1 44 . 1 1 4 4 VAL HA H 1 4.024 0.010 . 1 . . . A 101 VAL HA . 17752 1 45 . 1 1 4 4 VAL HB H 1 1.927 0.007 . 1 . . . A 101 VAL HB . 17752 1 46 . 1 1 4 4 VAL HG11 H 1 0.824 0.015 . . . . . A 101 VAL HG11 . 17752 1 47 . 1 1 4 4 VAL HG12 H 1 0.824 0.015 . . . . . A 101 VAL HG12 . 17752 1 48 . 1 1 4 4 VAL HG13 H 1 0.824 0.015 . . . . . A 101 VAL HG13 . 17752 1 49 . 1 1 4 4 VAL HG21 H 1 0.830 0.020 . . . . . A 101 VAL HG21 . 17752 1 50 . 1 1 4 4 VAL HG22 H 1 0.830 0.020 . . . . . A 101 VAL HG22 . 17752 1 51 . 1 1 4 4 VAL HG23 H 1 0.830 0.020 . . . . . A 101 VAL HG23 . 17752 1 52 . 1 1 4 4 VAL C C 13 174.457 0.020 . 1 . . . A 101 VAL C . 17752 1 53 . 1 1 4 4 VAL CA C 13 62.142 0.027 . 1 . . . A 101 VAL CA . 17752 1 54 . 1 1 4 4 VAL CB C 13 32.961 0.020 . 1 . . . A 101 VAL CB . 17752 1 55 . 1 1 4 4 VAL CG1 C 13 20.694 0.011 . 2 . . . A 101 VAL CG1 . 17752 1 56 . 1 1 4 4 VAL CG2 C 13 20.686 0.008 . 2 . . . A 101 VAL CG2 . 17752 1 57 . 1 1 4 4 VAL N N 15 123.770 0.032 . 1 . . . A 101 VAL N . 17752 1 58 . 1 1 5 5 GLN H H 1 8.269 0.005 . 1 . . . A 102 GLN H . 17752 1 59 . 1 1 5 5 GLN HA H 1 4.859 0.013 . 1 . . . A 102 GLN HA . 17752 1 60 . 1 1 5 5 GLN HB2 H 1 1.787 0.009 . 2 . . . A 102 GLN HB2 . 17752 1 61 . 1 1 5 5 GLN HB3 H 1 2.096 0.007 . 2 . . . A 102 GLN HB3 . 17752 1 62 . 1 1 5 5 GLN HG3 H 1 2.156 0.025 . 2 . . . A 102 GLN HG3 . 17752 1 63 . 1 1 5 5 GLN C C 13 173.189 0.000 . 1 . . . A 102 GLN C . 17752 1 64 . 1 1 5 5 GLN CA C 13 52.458 0.023 . 1 . . . A 102 GLN CA . 17752 1 65 . 1 1 5 5 GLN CB C 13 30.185 0.008 . 1 . . . A 102 GLN CB . 17752 1 66 . 1 1 5 5 GLN CG C 13 33.006 0.014 . 1 . . . A 102 GLN CG . 17752 1 67 . 1 1 5 5 GLN N N 15 124.937 0.026 . 1 . . . A 102 GLN N . 17752 1 68 . 1 1 6 6 PRO HA H 1 4.533 0.004 . 1 . . . A 103 PRO HA . 17752 1 69 . 1 1 6 6 PRO HB2 H 1 1.874 0.027 . 2 . . . A 103 PRO HB2 . 17752 1 70 . 1 1 6 6 PRO HB3 H 1 2.168 0.008 . 2 . . . A 103 PRO HB3 . 17752 1 71 . 1 1 6 6 PRO HG3 H 1 1.945 0.000 . 2 . . . A 103 PRO HG3 . 17752 1 72 . 1 1 6 6 PRO C C 13 175.646 0.035 . 1 . . . A 103 PRO C . 17752 1 73 . 1 1 6 6 PRO CA C 13 62.290 0.054 . 1 . . . A 103 PRO CA . 17752 1 74 . 1 1 6 6 PRO CB C 13 31.983 0.041 . 1 . . . A 103 PRO CB . 17752 1 75 . 1 1 6 6 PRO CG C 13 27.749 0.000 . 1 . . . A 103 PRO CG . 17752 1 76 . 1 1 7 7 ASP H H 1 7.897 0.004 . 1 . . . A 104 ASP H . 17752 1 77 . 1 1 7 7 ASP HA H 1 4.851 0.012 . 1 . . . A 104 ASP HA . 17752 1 78 . 1 1 7 7 ASP HB2 H 1 3.064 0.009 . 2 . . . A 104 ASP HB2 . 17752 1 79 . 1 1 7 7 ASP HB3 H 1 2.445 0.005 . 2 . . . A 104 ASP HB3 . 17752 1 80 . 1 1 7 7 ASP C C 13 171.565 0.000 . 1 . . . A 104 ASP C . 17752 1 81 . 1 1 7 7 ASP CA C 13 53.742 0.009 . 1 . . . A 104 ASP CA . 17752 1 82 . 1 1 7 7 ASP CB C 13 40.258 0.031 . 1 . . . A 104 ASP CB . 17752 1 83 . 1 1 7 7 ASP N N 15 120.340 0.041 . 1 . . . A 104 ASP N . 17752 1 84 . 1 1 8 8 PRO HG3 H 1 1.944 0.002 . 2 . . . A 105 PRO HG3 . 17752 1 85 . 1 1 8 8 PRO HD2 H 1 3.877 0.010 . 2 . . . A 105 PRO HD2 . 17752 1 86 . 1 1 8 8 PRO HD3 H 1 3.617 0.008 . 2 . . . A 105 PRO HD3 . 17752 1 87 . 1 1 8 8 PRO CG C 13 27.740 0.000 . 1 . . . A 105 PRO CG . 17752 1 88 . 1 1 8 8 PRO CD C 13 49.314 0.000 . 1 . . . A 105 PRO CD . 17752 1 89 . 1 1 9 9 PRO HA H 1 4.332 0.008 . 1 . . . A 106 PRO HA . 17752 1 90 . 1 1 9 9 PRO HB2 H 1 1.604 0.011 . 2 . . . A 106 PRO HB2 . 17752 1 91 . 1 1 9 9 PRO HB3 H 1 1.590 0.014 . 2 . . . A 106 PRO HB3 . 17752 1 92 . 1 1 9 9 PRO HG2 H 1 1.646 0.000 . 2 . . . A 106 PRO HG2 . 17752 1 93 . 1 1 9 9 PRO HG3 H 1 1.641 0.010 . 2 . . . A 106 PRO HG3 . 17752 1 94 . 1 1 9 9 PRO HD2 H 1 3.511 0.011 . 2 . . . A 106 PRO HD2 . 17752 1 95 . 1 1 9 9 PRO HD3 H 1 3.491 0.000 . 2 . . . A 106 PRO HD3 . 17752 1 96 . 1 1 9 9 PRO C C 13 174.091 0.024 . 1 . . . A 106 PRO C . 17752 1 97 . 1 1 9 9 PRO CA C 13 62.569 0.007 . 1 . . . A 106 PRO CA . 17752 1 98 . 1 1 9 9 PRO CB C 13 32.391 0.012 . 1 . . . A 106 PRO CB . 17752 1 99 . 1 1 9 9 PRO CG C 13 28.382 0.018 . 1 . . . A 106 PRO CG . 17752 1 100 . 1 1 10 10 LEU H H 1 7.793 0.004 . 1 . . . A 107 LEU H . 17752 1 101 . 1 1 10 10 LEU HA H 1 4.642 0.009 . 1 . . . A 107 LEU HA . 17752 1 102 . 1 1 10 10 LEU HB2 H 1 1.548 0.005 . 2 . . . A 107 LEU HB2 . 17752 1 103 . 1 1 10 10 LEU HB3 H 1 1.552 0.006 . 2 . . . A 107 LEU HB3 . 17752 1 104 . 1 1 10 10 LEU HG H 1 1.708 0.005 . 1 . . . A 107 LEU HG . 17752 1 105 . 1 1 10 10 LEU HD11 H 1 1.007 0.010 . . . . . A 107 LEU HD11 . 17752 1 106 . 1 1 10 10 LEU HD12 H 1 1.007 0.010 . . . . . A 107 LEU HD12 . 17752 1 107 . 1 1 10 10 LEU HD13 H 1 1.007 0.010 . . . . . A 107 LEU HD13 . 17752 1 108 . 1 1 10 10 LEU C C 13 175.964 0.007 . 1 . . . A 107 LEU C . 17752 1 109 . 1 1 10 10 LEU CA C 13 53.919 0.018 . 1 . . . A 107 LEU CA . 17752 1 110 . 1 1 10 10 LEU CB C 13 46.315 0.026 . 1 . . . A 107 LEU CB . 17752 1 111 . 1 1 10 10 LEU CG C 13 26.918 0.000 . 1 . . . A 107 LEU CG . 17752 1 112 . 1 1 10 10 LEU CD1 C 13 25.554 0.017 . 2 . . . A 107 LEU CD1 . 17752 1 113 . 1 1 10 10 LEU N N 15 118.910 0.031 . 1 . . . A 107 LEU N . 17752 1 114 . 1 1 11 11 GLU H H 1 8.539 0.004 . 1 . . . A 108 GLU H . 17752 1 115 . 1 1 11 11 GLU HA H 1 3.805 0.011 . 1 . . . A 108 GLU HA . 17752 1 116 . 1 1 11 11 GLU HB2 H 1 1.950 0.006 . 2 . . . A 108 GLU HB2 . 17752 1 117 . 1 1 11 11 GLU HB3 H 1 2.123 0.006 . 2 . . . A 108 GLU HB3 . 17752 1 118 . 1 1 11 11 GLU HG2 H 1 2.234 0.004 . 2 . . . A 108 GLU HG2 . 17752 1 119 . 1 1 11 11 GLU HG3 H 1 2.187 0.010 . 2 . . . A 108 GLU HG3 . 17752 1 120 . 1 1 11 11 GLU C C 13 175.118 0.032 . 1 . . . A 108 GLU C . 17752 1 121 . 1 1 11 11 GLU CA C 13 56.418 0.016 . 1 . . . A 108 GLU CA . 17752 1 122 . 1 1 11 11 GLU CB C 13 27.789 0.012 . 1 . . . A 108 GLU CB . 17752 1 123 . 1 1 11 11 GLU CG C 13 36.718 0.003 . 1 . . . A 108 GLU CG . 17752 1 124 . 1 1 11 11 GLU N N 15 113.307 0.032 . 1 . . . A 108 GLU N . 17752 1 125 . 1 1 12 12 LEU H H 1 8.053 0.005 . 1 . . . A 109 LEU H . 17752 1 126 . 1 1 12 12 LEU HA H 1 4.903 0.014 . 1 . . . A 109 LEU HA . 17752 1 127 . 1 1 12 12 LEU HB2 H 1 1.311 0.009 . 2 . . . A 109 LEU HB2 . 17752 1 128 . 1 1 12 12 LEU HB3 H 1 1.870 0.010 . 2 . . . A 109 LEU HB3 . 17752 1 129 . 1 1 12 12 LEU HG H 1 1.419 0.016 . 1 . . . A 109 LEU HG . 17752 1 130 . 1 1 12 12 LEU HD11 H 1 0.864 0.010 . . . . . A 109 LEU HD11 . 17752 1 131 . 1 1 12 12 LEU HD12 H 1 0.864 0.010 . . . . . A 109 LEU HD12 . 17752 1 132 . 1 1 12 12 LEU HD13 H 1 0.864 0.010 . . . . . A 109 LEU HD13 . 17752 1 133 . 1 1 12 12 LEU HD21 H 1 0.841 0.005 . . . . . A 109 LEU HD21 . 17752 1 134 . 1 1 12 12 LEU HD22 H 1 0.841 0.005 . . . . . A 109 LEU HD22 . 17752 1 135 . 1 1 12 12 LEU HD23 H 1 0.841 0.005 . . . . . A 109 LEU HD23 . 17752 1 136 . 1 1 12 12 LEU C C 13 176.238 0.019 . 1 . . . A 109 LEU C . 17752 1 137 . 1 1 12 12 LEU CA C 13 56.228 0.020 . 1 . . . A 109 LEU CA . 17752 1 138 . 1 1 12 12 LEU CB C 13 42.021 0.023 . 1 . . . A 109 LEU CB . 17752 1 139 . 1 1 12 12 LEU CG C 13 27.003 0.000 . 1 . . . A 109 LEU CG . 17752 1 140 . 1 1 12 12 LEU CD1 C 13 24.035 0.010 . 2 . . . A 109 LEU CD1 . 17752 1 141 . 1 1 12 12 LEU CD2 C 13 26.844 0.000 . 2 . . . A 109 LEU CD2 . 17752 1 142 . 1 1 12 12 LEU N N 15 120.420 0.037 . 1 . . . A 109 LEU N . 17752 1 143 . 1 1 13 13 ALA H H 1 9.653 0.005 . 1 . . . A 110 ALA H . 17752 1 144 . 1 1 13 13 ALA HA H 1 4.833 0.016 . 1 . . . A 110 ALA HA . 17752 1 145 . 1 1 13 13 ALA HB1 H 1 1.307 0.009 . . . . . A 110 ALA HB1 . 17752 1 146 . 1 1 13 13 ALA HB2 H 1 1.307 0.009 . . . . . A 110 ALA HB2 . 17752 1 147 . 1 1 13 13 ALA HB3 H 1 1.307 0.009 . . . . . A 110 ALA HB3 . 17752 1 148 . 1 1 13 13 ALA C C 13 175.560 0.007 . 1 . . . A 110 ALA C . 17752 1 149 . 1 1 13 13 ALA CA C 13 51.152 0.031 . 1 . . . A 110 ALA CA . 17752 1 150 . 1 1 13 13 ALA CB C 13 21.788 0.021 . 1 . . . A 110 ALA CB . 17752 1 151 . 1 1 13 13 ALA N N 15 132.286 0.041 . 1 . . . A 110 ALA N . 17752 1 152 . 1 1 14 14 VAL H H 1 8.477 0.004 . 1 . . . A 111 VAL H . 17752 1 153 . 1 1 14 14 VAL HA H 1 5.293 0.012 . 1 . . . A 111 VAL HA . 17752 1 154 . 1 1 14 14 VAL HB H 1 1.883 0.010 . 1 . . . A 111 VAL HB . 17752 1 155 . 1 1 14 14 VAL HG11 H 1 0.831 0.011 . . . . . A 111 VAL HG11 . 17752 1 156 . 1 1 14 14 VAL HG12 H 1 0.831 0.011 . . . . . A 111 VAL HG12 . 17752 1 157 . 1 1 14 14 VAL HG13 H 1 0.831 0.011 . . . . . A 111 VAL HG13 . 17752 1 158 . 1 1 14 14 VAL HG21 H 1 0.857 0.005 . . . . . A 111 VAL HG21 . 17752 1 159 . 1 1 14 14 VAL HG22 H 1 0.857 0.005 . . . . . A 111 VAL HG22 . 17752 1 160 . 1 1 14 14 VAL HG23 H 1 0.857 0.005 . . . . . A 111 VAL HG23 . 17752 1 161 . 1 1 14 14 VAL C C 13 174.459 0.013 . 1 . . . A 111 VAL C . 17752 1 162 . 1 1 14 14 VAL CA C 13 59.146 0.061 . 1 . . . A 111 VAL CA . 17752 1 163 . 1 1 14 14 VAL CB C 13 35.256 0.022 . 1 . . . A 111 VAL CB . 17752 1 164 . 1 1 14 14 VAL CG1 C 13 20.813 0.100 . 2 . . . A 111 VAL CG1 . 17752 1 165 . 1 1 14 14 VAL CG2 C 13 23.061 0.001 . 2 . . . A 111 VAL CG2 . 17752 1 166 . 1 1 14 14 VAL N N 15 116.305 0.031 . 1 . . . A 111 VAL N . 17752 1 167 . 1 1 15 15 GLU H H 1 8.947 0.004 . 1 . . . A 112 GLU H . 17752 1 168 . 1 1 15 15 GLU HA H 1 4.659 0.006 . 1 . . . A 112 GLU HA . 17752 1 169 . 1 1 15 15 GLU HB3 H 1 2.099 0.010 . 2 . . . A 112 GLU HB3 . 17752 1 170 . 1 1 15 15 GLU HG3 H 1 2.266 0.006 . 2 . . . A 112 GLU HG3 . 17752 1 171 . 1 1 15 15 GLU C C 13 174.581 0.034 . 1 . . . A 112 GLU C . 17752 1 172 . 1 1 15 15 GLU CA C 13 55.224 0.022 . 1 . . . A 112 GLU CA . 17752 1 173 . 1 1 15 15 GLU CB C 13 34.744 0.019 . 1 . . . A 112 GLU CB . 17752 1 174 . 1 1 15 15 GLU CG C 13 36.102 0.014 . 1 . . . A 112 GLU CG . 17752 1 175 . 1 1 15 15 GLU N N 15 122.235 0.022 . 1 . . . A 112 GLU N . 17752 1 176 . 1 1 16 16 VAL H H 1 9.044 0.004 . 1 . . . A 113 VAL H . 17752 1 177 . 1 1 16 16 VAL HA H 1 4.441 0.011 . 1 . . . A 113 VAL HA . 17752 1 178 . 1 1 16 16 VAL HB H 1 2.092 0.007 . 1 . . . A 113 VAL HB . 17752 1 179 . 1 1 16 16 VAL HG11 H 1 0.907 0.016 . . . . . A 113 VAL HG11 . 17752 1 180 . 1 1 16 16 VAL HG12 H 1 0.907 0.016 . . . . . A 113 VAL HG12 . 17752 1 181 . 1 1 16 16 VAL HG13 H 1 0.907 0.016 . . . . . A 113 VAL HG13 . 17752 1 182 . 1 1 16 16 VAL HG21 H 1 0.862 0.018 . . . . . A 113 VAL HG21 . 17752 1 183 . 1 1 16 16 VAL HG22 H 1 0.862 0.018 . . . . . A 113 VAL HG22 . 17752 1 184 . 1 1 16 16 VAL HG23 H 1 0.862 0.018 . . . . . A 113 VAL HG23 . 17752 1 185 . 1 1 16 16 VAL C C 13 175.480 0.040 . 1 . . . A 113 VAL C . 17752 1 186 . 1 1 16 16 VAL CA C 13 62.281 0.022 . 1 . . . A 113 VAL CA . 17752 1 187 . 1 1 16 16 VAL CB C 13 31.565 0.046 . 1 . . . A 113 VAL CB . 17752 1 188 . 1 1 16 16 VAL CG1 C 13 22.095 0.037 . 2 . . . A 113 VAL CG1 . 17752 1 189 . 1 1 16 16 VAL CG2 C 13 21.453 0.053 . 2 . . . A 113 VAL CG2 . 17752 1 190 . 1 1 16 16 VAL N N 15 124.568 0.041 . 1 . . . A 113 VAL N . 17752 1 191 . 1 1 17 17 LYS H H 1 8.788 0.006 . 1 . . . A 114 LYS H . 17752 1 192 . 1 1 17 17 LYS HA H 1 4.403 0.008 . 1 . . . A 114 LYS HA . 17752 1 193 . 1 1 17 17 LYS HB2 H 1 0.969 0.005 . 2 . . . A 114 LYS HB2 . 17752 1 194 . 1 1 17 17 LYS HB3 H 1 0.415 0.009 . 2 . . . A 114 LYS HB3 . 17752 1 195 . 1 1 17 17 LYS HG2 H 1 1.110 0.008 . 2 . . . A 114 LYS HG2 . 17752 1 196 . 1 1 17 17 LYS HG3 H 1 1.025 0.015 . 2 . . . A 114 LYS HG3 . 17752 1 197 . 1 1 17 17 LYS HD2 H 1 1.377 0.005 . 2 . . . A 114 LYS HD2 . 17752 1 198 . 1 1 17 17 LYS HD3 H 1 1.547 0.008 . 2 . . . A 114 LYS HD3 . 17752 1 199 . 1 1 17 17 LYS HE3 H 1 2.567 0.005 . 2 . . . A 114 LYS HE3 . 17752 1 200 . 1 1 17 17 LYS C C 13 174.547 0.025 . 1 . . . A 114 LYS C . 17752 1 201 . 1 1 17 17 LYS CA C 13 53.518 0.020 . 1 . . . A 114 LYS CA . 17752 1 202 . 1 1 17 17 LYS CB C 13 32.995 0.046 . 1 . . . A 114 LYS CB . 17752 1 203 . 1 1 17 17 LYS CG C 13 24.097 0.038 . 1 . . . A 114 LYS CG . 17752 1 204 . 1 1 17 17 LYS CD C 13 27.864 0.001 . 1 . . . A 114 LYS CD . 17752 1 205 . 1 1 17 17 LYS CE C 13 41.447 0.000 . 1 . . . A 114 LYS CE . 17752 1 206 . 1 1 17 17 LYS N N 15 128.676 0.113 . 1 . . . A 114 LYS N . 17752 1 207 . 1 1 18 18 GLN H H 1 8.537 0.006 . 1 . . . A 115 GLN H . 17752 1 208 . 1 1 18 18 GLN HA H 1 4.691 0.015 . 1 . . . A 115 GLN HA . 17752 1 209 . 1 1 18 18 GLN HB2 H 1 2.003 0.018 . 2 . . . A 115 GLN HB2 . 17752 1 210 . 1 1 18 18 GLN HB3 H 1 1.817 0.005 . 2 . . . A 115 GLN HB3 . 17752 1 211 . 1 1 18 18 GLN HG2 H 1 2.096 0.002 . 2 . . . A 115 GLN HG2 . 17752 1 212 . 1 1 18 18 GLN HG3 H 1 2.028 0.003 . 2 . . . A 115 GLN HG3 . 17752 1 213 . 1 1 18 18 GLN HE21 H 1 7.611 0.004 . 2 . . . A 115 GLN HE21 . 17752 1 214 . 1 1 18 18 GLN HE22 H 1 6.932 0.004 . 2 . . . A 115 GLN HE22 . 17752 1 215 . 1 1 18 18 GLN C C 13 172.587 0.000 . 1 . . . A 115 GLN C . 17752 1 216 . 1 1 18 18 GLN CA C 13 52.787 0.009 . 1 . . . A 115 GLN CA . 17752 1 217 . 1 1 18 18 GLN CB C 13 30.109 0.001 . 1 . . . A 115 GLN CB . 17752 1 218 . 1 1 18 18 GLN CG C 13 33.998 0.000 . 1 . . . A 115 GLN CG . 17752 1 219 . 1 1 18 18 GLN CD C 13 180.272 0.012 . 1 . . . A 115 GLN CD . 17752 1 220 . 1 1 18 18 GLN N N 15 119.854 0.038 . 1 . . . A 115 GLN N . 17752 1 221 . 1 1 18 18 GLN NE2 N 15 111.842 0.026 . 1 . . . A 115 GLN NE2 . 17752 1 222 . 1 1 19 19 PRO HA H 1 4.526 0.007 . 1 . . . A 116 PRO HA . 17752 1 223 . 1 1 19 19 PRO HB2 H 1 1.952 0.006 . 2 . . . A 116 PRO HB2 . 17752 1 224 . 1 1 19 19 PRO HB3 H 1 2.366 0.006 . 2 . . . A 116 PRO HB3 . 17752 1 225 . 1 1 19 19 PRO HG2 H 1 1.943 0.003 . 2 . . . A 116 PRO HG2 . 17752 1 226 . 1 1 19 19 PRO HG3 H 1 1.936 0.009 . 2 . . . A 116 PRO HG3 . 17752 1 227 . 1 1 19 19 PRO HD2 H 1 3.307 0.008 . 2 . . . A 116 PRO HD2 . 17752 1 228 . 1 1 19 19 PRO HD3 H 1 3.421 0.007 . 2 . . . A 116 PRO HD3 . 17752 1 229 . 1 1 19 19 PRO C C 13 176.958 0.000 . 1 . . . A 116 PRO C . 17752 1 230 . 1 1 19 19 PRO CA C 13 62.106 0.012 . 1 . . . A 116 PRO CA . 17752 1 231 . 1 1 19 19 PRO CB C 13 32.375 0.006 . 1 . . . A 116 PRO CB . 17752 1 232 . 1 1 19 19 PRO CG C 13 27.524 0.003 . 1 . . . A 116 PRO CG . 17752 1 233 . 1 1 19 19 PRO CD C 13 50.185 0.002 . 1 . . . A 116 PRO CD . 17752 1 234 . 1 1 20 20 GLU H H 1 8.806 0.004 . 1 . . . A 117 GLU H . 17752 1 235 . 1 1 20 20 GLU HA H 1 4.079 0.007 . 1 . . . A 117 GLU HA . 17752 1 236 . 1 1 20 20 GLU HB3 H 1 1.990 0.011 . 2 . . . A 117 GLU HB3 . 17752 1 237 . 1 1 20 20 GLU HG3 H 1 2.297 0.010 . 2 . . . A 117 GLU HG3 . 17752 1 238 . 1 1 20 20 GLU C C 13 176.961 0.028 . 1 . . . A 117 GLU C . 17752 1 239 . 1 1 20 20 GLU CA C 13 58.256 0.016 . 1 . . . A 117 GLU CA . 17752 1 240 . 1 1 20 20 GLU CB C 13 29.653 0.023 . 1 . . . A 117 GLU CB . 17752 1 241 . 1 1 20 20 GLU CG C 13 36.194 0.030 . 1 . . . A 117 GLU CG . 17752 1 242 . 1 1 20 20 GLU N N 15 119.774 0.038 . 1 . . . A 117 GLU N . 17752 1 243 . 1 1 21 21 ASP H H 1 8.449 0.007 . 1 . . . A 118 ASP H . 17752 1 244 . 1 1 21 21 ASP HA H 1 4.482 0.007 . 1 . . . A 118 ASP HA . 17752 1 245 . 1 1 21 21 ASP HB2 H 1 2.867 0.005 . 2 . . . A 118 ASP HB2 . 17752 1 246 . 1 1 21 21 ASP HB3 H 1 2.677 0.015 . 2 . . . A 118 ASP HB3 . 17752 1 247 . 1 1 21 21 ASP C C 13 175.271 0.022 . 1 . . . A 118 ASP C . 17752 1 248 . 1 1 21 21 ASP CA C 13 54.231 0.018 . 1 . . . A 118 ASP CA . 17752 1 249 . 1 1 21 21 ASP CB C 13 40.460 0.009 . 1 . . . A 118 ASP CB . 17752 1 250 . 1 1 21 21 ASP N N 15 116.513 0.078 . 1 . . . A 118 ASP N . 17752 1 251 . 1 1 22 22 ARG H H 1 7.448 0.009 . 1 . . . A 119 ARG H . 17752 1 252 . 1 1 22 22 ARG HA H 1 4.491 0.011 . 1 . . . A 119 ARG HA . 17752 1 253 . 1 1 22 22 ARG HB2 H 1 1.650 0.026 . 2 . . . A 119 ARG HB2 . 17752 1 254 . 1 1 22 22 ARG HB3 H 1 2.027 0.013 . 2 . . . A 119 ARG HB3 . 17752 1 255 . 1 1 22 22 ARG HG3 H 1 1.598 0.003 . 2 . . . A 119 ARG HG3 . 17752 1 256 . 1 1 22 22 ARG HD2 H 1 3.128 0.007 . 2 . . . A 119 ARG HD2 . 17752 1 257 . 1 1 22 22 ARG HD3 H 1 3.196 0.004 . 2 . . . A 119 ARG HD3 . 17752 1 258 . 1 1 22 22 ARG C C 13 174.745 0.024 . 1 . . . A 119 ARG C . 17752 1 259 . 1 1 22 22 ARG CA C 13 54.806 0.026 . 1 . . . A 119 ARG CA . 17752 1 260 . 1 1 22 22 ARG CB C 13 32.004 0.015 . 1 . . . A 119 ARG CB . 17752 1 261 . 1 1 22 22 ARG CG C 13 26.408 0.005 . 1 . . . A 119 ARG CG . 17752 1 262 . 1 1 22 22 ARG CD C 13 43.231 0.026 . 1 . . . A 119 ARG CD . 17752 1 263 . 1 1 22 22 ARG N N 15 115.342 0.022 . 1 . . . A 119 ARG N . 17752 1 264 . 1 1 23 23 LYS H H 1 7.982 0.006 . 1 . . . A 120 LYS H . 17752 1 265 . 1 1 23 23 LYS HA H 1 4.489 0.015 . 1 . . . A 120 LYS HA . 17752 1 266 . 1 1 23 23 LYS HB2 H 1 1.735 0.006 . 2 . . . A 120 LYS HB2 . 17752 1 267 . 1 1 23 23 LYS HB3 H 1 1.857 0.015 . 2 . . . A 120 LYS HB3 . 17752 1 268 . 1 1 23 23 LYS HG2 H 1 1.571 0.011 . 2 . . . A 120 LYS HG2 . 17752 1 269 . 1 1 23 23 LYS HG3 H 1 1.493 0.004 . 2 . . . A 120 LYS HG3 . 17752 1 270 . 1 1 23 23 LYS HD2 H 1 1.767 0.004 . 2 . . . A 120 LYS HD2 . 17752 1 271 . 1 1 23 23 LYS HD3 H 1 1.704 0.007 . 2 . . . A 120 LYS HD3 . 17752 1 272 . 1 1 23 23 LYS HE3 H 1 3.030 0.004 . 2 . . . A 120 LYS HE3 . 17752 1 273 . 1 1 23 23 LYS C C 13 173.641 0.000 . 1 . . . A 120 LYS C . 17752 1 274 . 1 1 23 23 LYS CA C 13 54.621 0.005 . 1 . . . A 120 LYS CA . 17752 1 275 . 1 1 23 23 LYS CB C 13 31.611 0.000 . 1 . . . A 120 LYS CB . 17752 1 276 . 1 1 23 23 LYS CG C 13 24.961 0.000 . 1 . . . A 120 LYS CG . 17752 1 277 . 1 1 23 23 LYS CD C 13 29.024 0.000 . 1 . . . A 120 LYS CD . 17752 1 278 . 1 1 23 23 LYS CE C 13 42.417 0.000 . 1 . . . A 120 LYS CE . 17752 1 279 . 1 1 23 23 LYS N N 15 119.981 0.043 . 1 . . . A 120 LYS N . 17752 1 280 . 1 1 24 24 PRO HA H 1 4.813 0.012 . 1 . . . A 121 PRO HA . 17752 1 281 . 1 1 24 24 PRO HB2 H 1 1.495 0.008 . 2 . . . A 121 PRO HB2 . 17752 1 282 . 1 1 24 24 PRO HB3 H 1 2.025 0.008 . 2 . . . A 121 PRO HB3 . 17752 1 283 . 1 1 24 24 PRO HG2 H 1 1.389 0.004 . 2 . . . A 121 PRO HG2 . 17752 1 284 . 1 1 24 24 PRO HG3 H 1 1.678 0.006 . 2 . . . A 121 PRO HG3 . 17752 1 285 . 1 1 24 24 PRO HD2 H 1 3.637 0.012 . 2 . . . A 121 PRO HD2 . 17752 1 286 . 1 1 24 24 PRO HD3 H 1 3.433 0.010 . 2 . . . A 121 PRO HD3 . 17752 1 287 . 1 1 24 24 PRO C C 13 174.901 0.000 . 1 . . . A 121 PRO C . 17752 1 288 . 1 1 24 24 PRO CA C 13 62.720 0.042 . 1 . . . A 121 PRO CA . 17752 1 289 . 1 1 24 24 PRO CB C 13 33.066 0.014 . 1 . . . A 121 PRO CB . 17752 1 290 . 1 1 24 24 PRO CG C 13 27.116 0.000 . 1 . . . A 121 PRO CG . 17752 1 291 . 1 1 24 24 PRO CD C 13 50.246 0.001 . 1 . . . A 121 PRO CD . 17752 1 292 . 1 1 25 25 TYR H H 1 8.287 0.005 . 1 . . . A 122 TYR H . 17752 1 293 . 1 1 25 25 TYR HA H 1 5.134 0.015 . 1 . . . A 122 TYR HA . 17752 1 294 . 1 1 25 25 TYR HB2 H 1 3.039 0.011 . 2 . . . A 122 TYR HB2 . 17752 1 295 . 1 1 25 25 TYR HB3 H 1 2.849 0.010 . 2 . . . A 122 TYR HB3 . 17752 1 296 . 1 1 25 25 TYR HD1 H 1 6.908 0.005 . 3 . . . A 122 TYR HD1 . 17752 1 297 . 1 1 25 25 TYR HD2 H 1 6.908 0.005 . 3 . . . A 122 TYR HD2 . 17752 1 298 . 1 1 25 25 TYR HE1 H 1 6.387 0.008 . 3 . . . A 122 TYR HE1 . 17752 1 299 . 1 1 25 25 TYR HE2 H 1 6.387 0.008 . 3 . . . A 122 TYR HE2 . 17752 1 300 . 1 1 25 25 TYR C C 13 172.672 0.019 . 1 . . . A 122 TYR C . 17752 1 301 . 1 1 25 25 TYR CA C 13 55.650 0.011 . 1 . . . A 122 TYR CA . 17752 1 302 . 1 1 25 25 TYR CB C 13 40.394 0.044 . 1 . . . A 122 TYR CB . 17752 1 303 . 1 1 25 25 TYR CD1 C 13 134.228 0.023 . 3 . . . A 122 TYR CD1 . 17752 1 304 . 1 1 25 25 TYR CD2 C 13 134.228 0.023 . 3 . . . A 122 TYR CD2 . 17752 1 305 . 1 1 25 25 TYR CE1 C 13 117.171 0.003 . 3 . . . A 122 TYR CE1 . 17752 1 306 . 1 1 25 25 TYR CE2 C 13 117.171 0.003 . 3 . . . A 122 TYR CE2 . 17752 1 307 . 1 1 25 25 TYR N N 15 111.573 0.036 . 1 . . . A 122 TYR N . 17752 1 308 . 1 1 26 26 LEU H H 1 9.073 0.005 . 1 . . . A 123 LEU H . 17752 1 309 . 1 1 26 26 LEU HA H 1 4.907 0.016 . 1 . . . A 123 LEU HA . 17752 1 310 . 1 1 26 26 LEU HB2 H 1 1.271 0.008 . 2 . . . A 123 LEU HB2 . 17752 1 311 . 1 1 26 26 LEU HB3 H 1 1.816 0.014 . 2 . . . A 123 LEU HB3 . 17752 1 312 . 1 1 26 26 LEU HG H 1 1.441 0.006 . 1 . . . A 123 LEU HG . 17752 1 313 . 1 1 26 26 LEU HD11 H 1 0.652 0.010 . . . . . A 123 LEU HD11 . 17752 1 314 . 1 1 26 26 LEU HD12 H 1 0.652 0.010 . . . . . A 123 LEU HD12 . 17752 1 315 . 1 1 26 26 LEU HD13 H 1 0.652 0.010 . . . . . A 123 LEU HD13 . 17752 1 316 . 1 1 26 26 LEU HD21 H 1 0.538 0.021 . . . . . A 123 LEU HD21 . 17752 1 317 . 1 1 26 26 LEU HD22 H 1 0.538 0.021 . . . . . A 123 LEU HD22 . 17752 1 318 . 1 1 26 26 LEU HD23 H 1 0.538 0.021 . . . . . A 123 LEU HD23 . 17752 1 319 . 1 1 26 26 LEU C C 13 174.277 0.001 . 1 . . . A 123 LEU C . 17752 1 320 . 1 1 26 26 LEU CA C 13 53.789 0.022 . 1 . . . A 123 LEU CA . 17752 1 321 . 1 1 26 26 LEU CB C 13 44.717 0.014 . 1 . . . A 123 LEU CB . 17752 1 322 . 1 1 26 26 LEU CG C 13 26.403 0.000 . 1 . . . A 123 LEU CG . 17752 1 323 . 1 1 26 26 LEU CD1 C 13 25.498 0.005 . 2 . . . A 123 LEU CD1 . 17752 1 324 . 1 1 26 26 LEU CD2 C 13 24.731 0.001 . 2 . . . A 123 LEU CD2 . 17752 1 325 . 1 1 26 26 LEU N N 15 120.288 0.023 . 1 . . . A 123 LEU N . 17752 1 326 . 1 1 27 27 TRP H H 1 9.628 0.004 . 1 . . . A 124 TRP H . 17752 1 327 . 1 1 27 27 TRP HA H 1 5.555 0.015 . 1 . . . A 124 TRP HA . 17752 1 328 . 1 1 27 27 TRP HB2 H 1 2.967 0.010 . 2 . . . A 124 TRP HB2 . 17752 1 329 . 1 1 27 27 TRP HB3 H 1 3.571 0.010 . 2 . . . A 124 TRP HB3 . 17752 1 330 . 1 1 27 27 TRP HD1 H 1 7.232 0.018 . 1 . . . A 124 TRP HD1 . 17752 1 331 . 1 1 27 27 TRP HE1 H 1 10.514 0.005 . 1 . . . A 124 TRP HE1 . 17752 1 332 . 1 1 27 27 TRP HE3 H 1 7.425 0.009 . 1 . . . A 124 TRP HE3 . 17752 1 333 . 1 1 27 27 TRP HZ2 H 1 7.409 0.004 . 1 . . . A 124 TRP HZ2 . 17752 1 334 . 1 1 27 27 TRP HZ3 H 1 7.041 0.004 . 1 . . . A 124 TRP HZ3 . 17752 1 335 . 1 1 27 27 TRP HH2 H 1 7.141 0.007 . 1 . . . A 124 TRP HH2 . 17752 1 336 . 1 1 27 27 TRP C C 13 173.810 0.030 . 1 . . . A 124 TRP C . 17752 1 337 . 1 1 27 27 TRP CA C 13 55.161 0.029 . 1 . . . A 124 TRP CA . 17752 1 338 . 1 1 27 27 TRP CB C 13 31.383 0.033 . 1 . . . A 124 TRP CB . 17752 1 339 . 1 1 27 27 TRP CD1 C 13 125.682 0.043 . 1 . . . A 124 TRP CD1 . 17752 1 340 . 1 1 27 27 TRP CE3 C 13 120.122 0.001 . 1 . . . A 124 TRP CE3 . 17752 1 341 . 1 1 27 27 TRP CZ2 C 13 114.873 0.001 . 1 . . . A 124 TRP CZ2 . 17752 1 342 . 1 1 27 27 TRP CZ3 C 13 121.750 0.000 . 1 . . . A 124 TRP CZ3 . 17752 1 343 . 1 1 27 27 TRP CH2 C 13 124.750 0.022 . 1 . . . A 124 TRP CH2 . 17752 1 344 . 1 1 27 27 TRP N N 15 130.187 0.049 . 1 . . . A 124 TRP N . 17752 1 345 . 1 1 27 27 TRP NE1 N 15 130.357 0.035 . 1 . . . A 124 TRP NE1 . 17752 1 346 . 1 1 28 28 ILE H H 1 8.867 0.005 . 1 . . . A 125 ILE H . 17752 1 347 . 1 1 28 28 ILE HA H 1 4.814 0.015 . 1 . . . A 125 ILE HA . 17752 1 348 . 1 1 28 28 ILE HB H 1 1.858 0.012 . 1 . . . A 125 ILE HB . 17752 1 349 . 1 1 28 28 ILE HG12 H 1 1.735 0.008 . 2 . . . A 125 ILE HG12 . 17752 1 350 . 1 1 28 28 ILE HG13 H 1 0.991 0.008 . 2 . . . A 125 ILE HG13 . 17752 1 351 . 1 1 28 28 ILE HG21 H 1 1.061 0.010 . . . . . A 125 ILE HG21 . 17752 1 352 . 1 1 28 28 ILE HG22 H 1 1.061 0.010 . . . . . A 125 ILE HG22 . 17752 1 353 . 1 1 28 28 ILE HG23 H 1 1.061 0.010 . . . . . A 125 ILE HG23 . 17752 1 354 . 1 1 28 28 ILE HD11 H 1 0.888 0.010 . . . . . A 125 ILE HD11 . 17752 1 355 . 1 1 28 28 ILE HD12 H 1 0.888 0.010 . . . . . A 125 ILE HD12 . 17752 1 356 . 1 1 28 28 ILE HD13 H 1 0.888 0.010 . . . . . A 125 ILE HD13 . 17752 1 357 . 1 1 28 28 ILE C C 13 173.004 0.032 . 1 . . . A 125 ILE C . 17752 1 358 . 1 1 28 28 ILE CA C 13 60.152 0.034 . 1 . . . A 125 ILE CA . 17752 1 359 . 1 1 28 28 ILE CB C 13 41.018 0.056 . 1 . . . A 125 ILE CB . 17752 1 360 . 1 1 28 28 ILE CG1 C 13 28.092 0.000 . 1 . . . A 125 ILE CG1 . 17752 1 361 . 1 1 28 28 ILE CG2 C 13 19.597 0.003 . 1 . . . A 125 ILE CG2 . 17752 1 362 . 1 1 28 28 ILE CD1 C 13 15.405 0.009 . 1 . . . A 125 ILE CD1 . 17752 1 363 . 1 1 28 28 ILE N N 15 128.941 0.037 . 1 . . . A 125 ILE N . 17752 1 364 . 1 1 29 29 LYS H H 1 8.789 0.004 . 1 . . . A 126 LYS H . 17752 1 365 . 1 1 29 29 LYS HA H 1 4.553 0.006 . 1 . . . A 126 LYS HA . 17752 1 366 . 1 1 29 29 LYS HB2 H 1 1.146 0.022 . 2 . . . A 126 LYS HB2 . 17752 1 367 . 1 1 29 29 LYS HB3 H 1 1.206 0.007 . 2 . . . A 126 LYS HB3 . 17752 1 368 . 1 1 29 29 LYS HG2 H 1 0.973 0.014 . 2 . . . A 126 LYS HG2 . 17752 1 369 . 1 1 29 29 LYS HG3 H 1 1.033 0.004 . 2 . . . A 126 LYS HG3 . 17752 1 370 . 1 1 29 29 LYS HD2 H 1 1.202 0.004 . 2 . . . A 126 LYS HD2 . 17752 1 371 . 1 1 29 29 LYS HD3 H 1 1.148 0.024 . 2 . . . A 126 LYS HD3 . 17752 1 372 . 1 1 29 29 LYS HE3 H 1 2.489 0.005 . 2 . . . A 126 LYS HE3 . 17752 1 373 . 1 1 29 29 LYS C C 13 173.764 0.011 . 1 . . . A 126 LYS C . 17752 1 374 . 1 1 29 29 LYS CA C 13 55.137 0.018 . 1 . . . A 126 LYS CA . 17752 1 375 . 1 1 29 29 LYS CB C 13 35.952 0.019 . 1 . . . A 126 LYS CB . 17752 1 376 . 1 1 29 29 LYS CG C 13 23.577 0.010 . 1 . . . A 126 LYS CG . 17752 1 377 . 1 1 29 29 LYS CD C 13 29.162 0.003 . 1 . . . A 126 LYS CD . 17752 1 378 . 1 1 29 29 LYS CE C 13 41.262 0.000 . 1 . . . A 126 LYS CE . 17752 1 379 . 1 1 29 29 LYS N N 15 124.705 0.037 . 1 . . . A 126 LYS N . 17752 1 380 . 1 1 30 30 TRP H H 1 7.408 0.004 . 1 . . . A 127 TRP H . 17752 1 381 . 1 1 30 30 TRP HA H 1 5.010 0.008 . 1 . . . A 127 TRP HA . 17752 1 382 . 1 1 30 30 TRP HB2 H 1 3.363 0.007 . 2 . . . A 127 TRP HB2 . 17752 1 383 . 1 1 30 30 TRP HB3 H 1 3.049 0.009 . 2 . . . A 127 TRP HB3 . 17752 1 384 . 1 1 30 30 TRP HD1 H 1 6.240 0.009 . 1 . . . A 127 TRP HD1 . 17752 1 385 . 1 1 30 30 TRP HE1 H 1 5.842 0.012 . 1 . . . A 127 TRP HE1 . 17752 1 386 . 1 1 30 30 TRP HE3 H 1 6.813 0.007 . 1 . . . A 127 TRP HE3 . 17752 1 387 . 1 1 30 30 TRP HZ2 H 1 7.046 0.009 . 1 . . . A 127 TRP HZ2 . 17752 1 388 . 1 1 30 30 TRP HZ3 H 1 6.305 0.006 . 1 . . . A 127 TRP HZ3 . 17752 1 389 . 1 1 30 30 TRP HH2 H 1 6.305 0.007 . 1 . . . A 127 TRP HH2 . 17752 1 390 . 1 1 30 30 TRP C C 13 173.354 0.006 . 1 . . . A 127 TRP C . 17752 1 391 . 1 1 30 30 TRP CA C 13 57.079 0.012 . 1 . . . A 127 TRP CA . 17752 1 392 . 1 1 30 30 TRP CB C 13 29.480 0.058 . 1 . . . A 127 TRP CB . 17752 1 393 . 1 1 30 30 TRP CD1 C 13 124.180 0.012 . 1 . . . A 127 TRP CD1 . 17752 1 394 . 1 1 30 30 TRP CE3 C 13 119.935 0.000 . 1 . . . A 127 TRP CE3 . 17752 1 395 . 1 1 30 30 TRP CZ2 C 13 115.185 0.000 . 1 . . . A 127 TRP CZ2 . 17752 1 396 . 1 1 30 30 TRP CZ3 C 13 122.511 0.000 . 1 . . . A 127 TRP CZ3 . 17752 1 397 . 1 1 30 30 TRP CH2 C 13 120.685 0.000 . 1 . . . A 127 TRP CH2 . 17752 1 398 . 1 1 30 30 TRP N N 15 118.127 0.023 . 1 . . . A 127 TRP N . 17752 1 399 . 1 1 30 30 TRP NE1 N 15 125.815 0.061 . 1 . . . A 127 TRP NE1 . 17752 1 400 . 1 1 31 31 SER H H 1 8.972 0.004 . 1 . . . A 128 SER H . 17752 1 401 . 1 1 31 31 SER HA H 1 5.137 0.007 . 1 . . . A 128 SER HA . 17752 1 402 . 1 1 31 31 SER HB2 H 1 3.540 0.013 . 2 . . . A 128 SER HB2 . 17752 1 403 . 1 1 31 31 SER HB3 H 1 3.925 0.012 . 2 . . . A 128 SER HB3 . 17752 1 404 . 1 1 31 31 SER C C 13 171.258 0.000 . 1 . . . A 128 SER C . 17752 1 405 . 1 1 31 31 SER CA C 13 55.299 0.011 . 1 . . . A 128 SER CA . 17752 1 406 . 1 1 31 31 SER CB C 13 63.849 0.003 . 1 . . . A 128 SER CB . 17752 1 407 . 1 1 31 31 SER N N 15 113.791 0.034 . 1 . . . A 128 SER N . 17752 1 408 . 1 1 32 32 PRO HA H 1 4.953 0.002 . 1 . . . A 129 PRO HA . 17752 1 409 . 1 1 32 32 PRO HG2 H 1 1.988 0.002 . 2 . . . A 129 PRO HG2 . 17752 1 410 . 1 1 32 32 PRO HG3 H 1 2.542 0.002 . 2 . . . A 129 PRO HG3 . 17752 1 411 . 1 1 32 32 PRO HD3 H 1 3.779 0.007 . 2 . . . A 129 PRO HD3 . 17752 1 412 . 1 1 32 32 PRO CG C 13 30.810 0.000 . 1 . . . A 129 PRO CG . 17752 1 413 . 1 1 32 32 PRO CD C 13 50.305 0.000 . 1 . . . A 129 PRO CD . 17752 1 414 . 1 1 33 33 PRO HA H 1 4.515 0.005 . 1 . . . A 130 PRO HA . 17752 1 415 . 1 1 33 33 PRO HB2 H 1 2.198 0.004 . 2 . . . A 130 PRO HB2 . 17752 1 416 . 1 1 33 33 PRO HB3 H 1 2.214 0.000 . 2 . . . A 130 PRO HB3 . 17752 1 417 . 1 1 33 33 PRO HG2 H 1 2.205 0.007 . 2 . . . A 130 PRO HG2 . 17752 1 418 . 1 1 33 33 PRO HG3 H 1 1.811 0.009 . 2 . . . A 130 PRO HG3 . 17752 1 419 . 1 1 33 33 PRO HD2 H 1 3.529 0.008 . 2 . . . A 130 PRO HD2 . 17752 1 420 . 1 1 33 33 PRO HD3 H 1 3.763 0.013 . 2 . . . A 130 PRO HD3 . 17752 1 421 . 1 1 33 33 PRO C C 13 176.322 0.009 . 1 . . . A 130 PRO C . 17752 1 422 . 1 1 33 33 PRO CA C 13 62.668 0.056 . 1 . . . A 130 PRO CA . 17752 1 423 . 1 1 33 33 PRO CB C 13 32.077 0.032 . 1 . . . A 130 PRO CB . 17752 1 424 . 1 1 33 33 PRO CG C 13 26.722 0.000 . 1 . . . A 130 PRO CG . 17752 1 425 . 1 1 33 33 PRO CD C 13 50.314 0.000 . 1 . . . A 130 PRO CD . 17752 1 426 . 1 1 34 34 THR H H 1 8.128 0.003 . 1 . . . A 131 THR H . 17752 1 427 . 1 1 34 34 THR HA H 1 4.147 0.008 . 1 . . . A 131 THR HA . 17752 1 428 . 1 1 34 34 THR HB H 1 4.104 0.005 . 1 . . . A 131 THR HB . 17752 1 429 . 1 1 34 34 THR HG21 H 1 1.217 0.006 . . . . . A 131 THR HG21 . 17752 1 430 . 1 1 34 34 THR HG22 H 1 1.217 0.006 . . . . . A 131 THR HG22 . 17752 1 431 . 1 1 34 34 THR HG23 H 1 1.217 0.006 . . . . . A 131 THR HG23 . 17752 1 432 . 1 1 34 34 THR C C 13 174.576 0.026 . 1 . . . A 131 THR C . 17752 1 433 . 1 1 34 34 THR CA C 13 62.833 0.037 . 1 . . . A 131 THR CA . 17752 1 434 . 1 1 34 34 THR CB C 13 69.346 0.031 . 1 . . . A 131 THR CB . 17752 1 435 . 1 1 34 34 THR CG2 C 13 21.904 0.036 . 1 . . . A 131 THR CG2 . 17752 1 436 . 1 1 34 34 THR N N 15 113.844 0.030 . 1 . . . A 131 THR N . 17752 1 437 . 1 1 35 35 LEU H H 1 8.336 0.006 . 1 . . . A 132 LEU H . 17752 1 438 . 1 1 35 35 LEU HA H 1 4.432 0.006 . 1 . . . A 132 LEU HA . 17752 1 439 . 1 1 35 35 LEU HB2 H 1 1.508 0.011 . 2 . . . A 132 LEU HB2 . 17752 1 440 . 1 1 35 35 LEU HB3 H 1 1.599 0.007 . 2 . . . A 132 LEU HB3 . 17752 1 441 . 1 1 35 35 LEU HG H 1 1.548 0.010 . 1 . . . A 132 LEU HG . 17752 1 442 . 1 1 35 35 LEU HD11 H 1 0.754 0.004 . . . . . A 132 LEU HD11 . 17752 1 443 . 1 1 35 35 LEU HD12 H 1 0.754 0.004 . . . . . A 132 LEU HD12 . 17752 1 444 . 1 1 35 35 LEU HD13 H 1 0.754 0.004 . . . . . A 132 LEU HD13 . 17752 1 445 . 1 1 35 35 LEU HD21 H 1 0.785 0.003 . . . . . A 132 LEU HD21 . 17752 1 446 . 1 1 35 35 LEU HD22 H 1 0.785 0.003 . . . . . A 132 LEU HD22 . 17752 1 447 . 1 1 35 35 LEU HD23 H 1 0.785 0.003 . . . . . A 132 LEU HD23 . 17752 1 448 . 1 1 35 35 LEU C C 13 176.794 0.026 . 1 . . . A 132 LEU C . 17752 1 449 . 1 1 35 35 LEU CA C 13 54.799 0.036 . 1 . . . A 132 LEU CA . 17752 1 450 . 1 1 35 35 LEU CB C 13 42.344 0.005 . 1 . . . A 132 LEU CB . 17752 1 451 . 1 1 35 35 LEU CG C 13 26.348 0.000 . 1 . . . A 132 LEU CG . 17752 1 452 . 1 1 35 35 LEU CD1 C 13 23.699 0.006 . 2 . . . A 132 LEU CD1 . 17752 1 453 . 1 1 35 35 LEU CD2 C 13 25.082 0.003 . 2 . . . A 132 LEU CD2 . 17752 1 454 . 1 1 35 35 LEU N N 15 125.831 0.039 . 1 . . . A 132 LEU N . 17752 1 455 . 1 1 36 36 ILE H H 1 8.054 0.007 . 1 . . . A 133 ILE H . 17752 1 456 . 1 1 36 36 ILE HA H 1 4.070 0.007 . 1 . . . A 133 ILE HA . 17752 1 457 . 1 1 36 36 ILE HB H 1 1.817 0.008 . 1 . . . A 133 ILE HB . 17752 1 458 . 1 1 36 36 ILE HG12 H 1 1.176 0.004 . 2 . . . A 133 ILE HG12 . 17752 1 459 . 1 1 36 36 ILE HG13 H 1 1.427 0.006 . 2 . . . A 133 ILE HG13 . 17752 1 460 . 1 1 36 36 ILE HG21 H 1 0.849 0.010 . . . . . A 133 ILE HG21 . 17752 1 461 . 1 1 36 36 ILE HG22 H 1 0.849 0.010 . . . . . A 133 ILE HG22 . 17752 1 462 . 1 1 36 36 ILE HG23 H 1 0.849 0.010 . . . . . A 133 ILE HG23 . 17752 1 463 . 1 1 36 36 ILE HD11 H 1 0.827 0.009 . . . . . A 133 ILE HD11 . 17752 1 464 . 1 1 36 36 ILE HD12 H 1 0.827 0.009 . . . . . A 133 ILE HD12 . 17752 1 465 . 1 1 36 36 ILE HD13 H 1 0.827 0.009 . . . . . A 133 ILE HD13 . 17752 1 466 . 1 1 36 36 ILE C C 13 175.690 0.027 . 1 . . . A 133 ILE C . 17752 1 467 . 1 1 36 36 ILE CA C 13 61.695 0.019 . 1 . . . A 133 ILE CA . 17752 1 468 . 1 1 36 36 ILE CB C 13 38.553 0.025 . 1 . . . A 133 ILE CB . 17752 1 469 . 1 1 36 36 ILE CG1 C 13 27.437 0.011 . 1 . . . A 133 ILE CG1 . 17752 1 470 . 1 1 36 36 ILE CG2 C 13 17.444 0.028 . 1 . . . A 133 ILE CG2 . 17752 1 471 . 1 1 36 36 ILE CD1 C 13 12.300 0.000 . 1 . . . A 133 ILE CD1 . 17752 1 472 . 1 1 36 36 ILE N N 15 121.733 0.051 . 1 . . . A 133 ILE N . 17752 1 473 . 1 1 37 37 ASP H H 1 8.254 0.004 . 1 . . . A 134 ASP H . 17752 1 474 . 1 1 37 37 ASP HA H 1 4.573 0.005 . 1 . . . A 134 ASP HA . 17752 1 475 . 1 1 37 37 ASP HB2 H 1 2.570 0.009 . 2 . . . A 134 ASP HB2 . 17752 1 476 . 1 1 37 37 ASP HB3 H 1 2.748 0.011 . 2 . . . A 134 ASP HB3 . 17752 1 477 . 1 1 37 37 ASP C C 13 176.011 0.028 . 1 . . . A 134 ASP C . 17752 1 478 . 1 1 37 37 ASP CA C 13 54.346 0.013 . 1 . . . A 134 ASP CA . 17752 1 479 . 1 1 37 37 ASP CB C 13 41.096 0.009 . 1 . . . A 134 ASP CB . 17752 1 480 . 1 1 37 37 ASP N N 15 121.852 0.045 . 1 . . . A 134 ASP N . 17752 1 481 . 1 1 38 38 LEU H H 1 8.052 0.005 . 1 . . . A 135 LEU H . 17752 1 482 . 1 1 38 38 LEU HA H 1 4.225 0.012 . 1 . . . A 135 LEU HA . 17752 1 483 . 1 1 38 38 LEU HB3 H 1 1.591 0.011 . 2 . . . A 135 LEU HB3 . 17752 1 484 . 1 1 38 38 LEU HG H 1 1.590 0.013 . 1 . . . A 135 LEU HG . 17752 1 485 . 1 1 38 38 LEU HD11 H 1 0.778 0.007 . . . . . A 135 LEU HD11 . 17752 1 486 . 1 1 38 38 LEU HD12 H 1 0.778 0.007 . . . . . A 135 LEU HD12 . 17752 1 487 . 1 1 38 38 LEU HD13 H 1 0.778 0.007 . . . . . A 135 LEU HD13 . 17752 1 488 . 1 1 38 38 LEU HD21 H 1 0.836 0.007 . . . . . A 135 LEU HD21 . 17752 1 489 . 1 1 38 38 LEU HD22 H 1 0.836 0.007 . . . . . A 135 LEU HD22 . 17752 1 490 . 1 1 38 38 LEU HD23 H 1 0.836 0.007 . . . . . A 135 LEU HD23 . 17752 1 491 . 1 1 38 38 LEU C C 13 177.779 0.028 . 1 . . . A 135 LEU C . 17752 1 492 . 1 1 38 38 LEU CA C 13 55.748 0.020 . 1 . . . A 135 LEU CA . 17752 1 493 . 1 1 38 38 LEU CB C 13 42.220 0.024 . 1 . . . A 135 LEU CB . 17752 1 494 . 1 1 38 38 LEU CG C 13 26.613 0.053 . 1 . . . A 135 LEU CG . 17752 1 495 . 1 1 38 38 LEU CD1 C 13 23.293 0.005 . 2 . . . A 135 LEU CD1 . 17752 1 496 . 1 1 38 38 LEU CD2 C 13 24.933 0.039 . 2 . . . A 135 LEU CD2 . 17752 1 497 . 1 1 38 38 LEU N N 15 122.044 0.055 . 1 . . . A 135 LEU N . 17752 1 498 . 1 1 39 39 LYS H H 1 8.295 0.006 . 1 . . . A 136 LYS H . 17752 1 499 . 1 1 39 39 LYS HA H 1 4.225 0.008 . 1 . . . A 136 LYS HA . 17752 1 500 . 1 1 39 39 LYS HB3 H 1 1.811 0.008 . 2 . . . A 136 LYS HB3 . 17752 1 501 . 1 1 39 39 LYS HG2 H 1 1.342 0.003 . 2 . . . A 136 LYS HG2 . 17752 1 502 . 1 1 39 39 LYS HG3 H 1 1.380 0.012 . 2 . . . A 136 LYS HG3 . 17752 1 503 . 1 1 39 39 LYS HD3 H 1 1.602 0.005 . 2 . . . A 136 LYS HD3 . 17752 1 504 . 1 1 39 39 LYS HE3 H 1 2.925 0.004 . 2 . . . A 136 LYS HE3 . 17752 1 505 . 1 1 39 39 LYS C C 13 177.024 0.033 . 1 . . . A 136 LYS C . 17752 1 506 . 1 1 39 39 LYS CA C 13 57.161 0.028 . 1 . . . A 136 LYS CA . 17752 1 507 . 1 1 39 39 LYS CB C 13 32.220 0.037 . 1 . . . A 136 LYS CB . 17752 1 508 . 1 1 39 39 LYS CG C 13 24.525 0.036 . 1 . . . A 136 LYS CG . 17752 1 509 . 1 1 39 39 LYS CD C 13 28.830 0.017 . 1 . . . A 136 LYS CD . 17752 1 510 . 1 1 39 39 LYS CE C 13 42.117 0.005 . 1 . . . A 136 LYS CE . 17752 1 511 . 1 1 39 39 LYS N N 15 119.589 0.024 . 1 . . . A 136 LYS N . 17752 1 512 . 1 1 40 40 THR H H 1 7.787 0.005 . 1 . . . A 137 THR H . 17752 1 513 . 1 1 40 40 THR HA H 1 4.189 0.007 . 1 . . . A 137 THR HA . 17752 1 514 . 1 1 40 40 THR HB H 1 3.996 0.020 . 1 . . . A 137 THR HB . 17752 1 515 . 1 1 40 40 THR HG21 H 1 1.088 0.010 . . . . . A 137 THR HG21 . 17752 1 516 . 1 1 40 40 THR HG22 H 1 1.088 0.010 . . . . . A 137 THR HG22 . 17752 1 517 . 1 1 40 40 THR HG23 H 1 1.088 0.010 . . . . . A 137 THR HG23 . 17752 1 518 . 1 1 40 40 THR C C 13 174.914 0.018 . 1 . . . A 137 THR C . 17752 1 519 . 1 1 40 40 THR CA C 13 62.152 0.029 . 1 . . . A 137 THR CA . 17752 1 520 . 1 1 40 40 THR CB C 13 69.513 0.033 . 1 . . . A 137 THR CB . 17752 1 521 . 1 1 40 40 THR CG2 C 13 21.337 0.125 . 1 . . . A 137 THR CG2 . 17752 1 522 . 1 1 40 40 THR N N 15 112.003 0.032 . 1 . . . A 137 THR N . 17752 1 523 . 1 1 41 41 GLY H H 1 8.017 0.004 . 1 . . . A 138 GLY H . 17752 1 524 . 1 1 41 41 GLY HA2 H 1 3.780 0.007 . 2 . . . A 138 GLY HA2 . 17752 1 525 . 1 1 41 41 GLY HA3 H 1 3.940 0.008 . . . . . A 138 GLY HA3 . 17752 1 526 . 1 1 41 41 GLY C C 13 173.470 0.049 . 1 . . . A 138 GLY C . 17752 1 527 . 1 1 41 41 GLY CA C 13 45.370 0.029 . 1 . . . A 138 GLY CA . 17752 1 528 . 1 1 41 41 GLY N N 15 109.975 0.027 . 1 . . . A 138 GLY N . 17752 1 529 . 1 1 42 42 TRP H H 1 7.787 0.004 . 1 . . . A 139 TRP H . 17752 1 530 . 1 1 42 42 TRP HA H 1 4.634 0.012 . 1 . . . A 139 TRP HA . 17752 1 531 . 1 1 42 42 TRP HB2 H 1 3.172 0.008 . 2 . . . A 139 TRP HB2 . 17752 1 532 . 1 1 42 42 TRP HB3 H 1 3.176 0.013 . 2 . . . A 139 TRP HB3 . 17752 1 533 . 1 1 42 42 TRP HD1 H 1 7.045 0.007 . 1 . . . A 139 TRP HD1 . 17752 1 534 . 1 1 42 42 TRP HE1 H 1 10.100 0.010 . 1 . . . A 139 TRP HE1 . 17752 1 535 . 1 1 42 42 TRP HE3 H 1 7.497 0.007 . 1 . . . A 139 TRP HE3 . 17752 1 536 . 1 1 42 42 TRP HZ2 H 1 7.407 0.004 . 1 . . . A 139 TRP HZ2 . 17752 1 537 . 1 1 42 42 TRP HZ3 H 1 7.040 0.002 . 1 . . . A 139 TRP HZ3 . 17752 1 538 . 1 1 42 42 TRP HH2 H 1 7.136 0.016 . 1 . . . A 139 TRP HH2 . 17752 1 539 . 1 1 42 42 TRP C C 13 175.349 0.027 . 1 . . . A 139 TRP C . 17752 1 540 . 1 1 42 42 TRP CA C 13 56.762 0.005 . 1 . . . A 139 TRP CA . 17752 1 541 . 1 1 42 42 TRP CB C 13 29.199 0.001 . 1 . . . A 139 TRP CB . 17752 1 542 . 1 1 42 42 TRP CD1 C 13 126.878 0.036 . 1 . . . A 139 TRP CD1 . 17752 1 543 . 1 1 42 42 TRP CE3 C 13 120.657 0.003 . 1 . . . A 139 TRP CE3 . 17752 1 544 . 1 1 42 42 TRP CZ2 C 13 114.511 0.000 . 1 . . . A 139 TRP CZ2 . 17752 1 545 . 1 1 42 42 TRP CZ3 C 13 121.908 0.000 . 1 . . . A 139 TRP CZ3 . 17752 1 546 . 1 1 42 42 TRP CH2 C 13 124.407 0.000 . 1 . . . A 139 TRP CH2 . 17752 1 547 . 1 1 42 42 TRP N N 15 119.581 0.029 . 1 . . . A 139 TRP N . 17752 1 548 . 1 1 42 42 TRP NE1 N 15 129.257 0.067 . 1 . . . A 139 TRP NE1 . 17752 1 549 . 1 1 43 43 PHE H H 1 7.871 0.004 . 1 . . . A 140 PHE H . 17752 1 550 . 1 1 43 43 PHE HA H 1 4.675 0.025 . 1 . . . A 140 PHE HA . 17752 1 551 . 1 1 43 43 PHE HB2 H 1 2.980 0.010 . 2 . . . A 140 PHE HB2 . 17752 1 552 . 1 1 43 43 PHE HB3 H 1 2.992 0.007 . 2 . . . A 140 PHE HB3 . 17752 1 553 . 1 1 43 43 PHE HD1 H 1 7.013 0.006 . 3 . . . A 140 PHE HD1 . 17752 1 554 . 1 1 43 43 PHE HD2 H 1 7.013 0.006 . 3 . . . A 140 PHE HD2 . 17752 1 555 . 1 1 43 43 PHE HE1 H 1 7.184 0.003 . 3 . . . A 140 PHE HE1 . 17752 1 556 . 1 1 43 43 PHE HE2 H 1 7.184 0.003 . 3 . . . A 140 PHE HE2 . 17752 1 557 . 1 1 43 43 PHE HZ H 1 7.185 0.003 . 1 . . . A 140 PHE HZ . 17752 1 558 . 1 1 43 43 PHE C C 13 174.658 0.020 . 1 . . . A 140 PHE C . 17752 1 559 . 1 1 43 43 PHE CA C 13 57.106 0.019 . 1 . . . A 140 PHE CA . 17752 1 560 . 1 1 43 43 PHE CB C 13 40.150 0.044 . 1 . . . A 140 PHE CB . 17752 1 561 . 1 1 43 43 PHE CD1 C 13 132.029 0.001 . 3 . . . A 140 PHE CD1 . 17752 1 562 . 1 1 43 43 PHE CD2 C 13 132.029 0.001 . 3 . . . A 140 PHE CD2 . 17752 1 563 . 1 1 43 43 PHE CE1 C 13 131.273 0.002 . 3 . . . A 140 PHE CE1 . 17752 1 564 . 1 1 43 43 PHE CE2 C 13 131.273 0.002 . 3 . . . A 140 PHE CE2 . 17752 1 565 . 1 1 43 43 PHE CZ C 13 129.653 0.000 . 1 . . . A 140 PHE CZ . 17752 1 566 . 1 1 43 43 PHE N N 15 119.509 0.036 . 1 . . . A 140 PHE N . 17752 1 567 . 1 1 44 44 THR H H 1 8.380 0.004 . 1 . . . A 141 THR H . 17752 1 568 . 1 1 44 44 THR HA H 1 4.323 0.007 . 1 . . . A 141 THR HA . 17752 1 569 . 1 1 44 44 THR HB H 1 4.001 0.007 . 1 . . . A 141 THR HB . 17752 1 570 . 1 1 44 44 THR HG21 H 1 1.125 0.006 . . . . . A 141 THR HG21 . 17752 1 571 . 1 1 44 44 THR HG22 H 1 1.125 0.006 . . . . . A 141 THR HG22 . 17752 1 572 . 1 1 44 44 THR HG23 H 1 1.125 0.006 . . . . . A 141 THR HG23 . 17752 1 573 . 1 1 44 44 THR C C 13 173.009 0.024 . 1 . . . A 141 THR C . 17752 1 574 . 1 1 44 44 THR CA C 13 61.830 0.002 . 1 . . . A 141 THR CA . 17752 1 575 . 1 1 44 44 THR CB C 13 70.489 0.033 . 1 . . . A 141 THR CB . 17752 1 576 . 1 1 44 44 THR CG2 C 13 21.557 0.001 . 1 . . . A 141 THR CG2 . 17752 1 577 . 1 1 44 44 THR N N 15 116.290 0.023 . 1 . . . A 141 THR N . 17752 1 578 . 1 1 45 45 LEU H H 1 7.972 0.004 . 1 . . . A 142 LEU H . 17752 1 579 . 1 1 45 45 LEU HA H 1 4.519 0.006 . 1 . . . A 142 LEU HA . 17752 1 580 . 1 1 45 45 LEU HB2 H 1 0.609 0.009 . 2 . . . A 142 LEU HB2 . 17752 1 581 . 1 1 45 45 LEU HB3 H 1 1.529 0.008 . 2 . . . A 142 LEU HB3 . 17752 1 582 . 1 1 45 45 LEU HG H 1 0.849 0.007 . 1 . . . A 142 LEU HG . 17752 1 583 . 1 1 45 45 LEU HD11 H 1 0.421 0.007 . . . . . A 142 LEU HD11 . 17752 1 584 . 1 1 45 45 LEU HD12 H 1 0.421 0.007 . . . . . A 142 LEU HD12 . 17752 1 585 . 1 1 45 45 LEU HD13 H 1 0.421 0.007 . . . . . A 142 LEU HD13 . 17752 1 586 . 1 1 45 45 LEU C C 13 174.651 0.029 . 1 . . . A 142 LEU C . 17752 1 587 . 1 1 45 45 LEU CA C 13 53.847 0.021 . 1 . . . A 142 LEU CA . 17752 1 588 . 1 1 45 45 LEU CB C 13 44.418 0.004 . 1 . . . A 142 LEU CB . 17752 1 589 . 1 1 45 45 LEU CG C 13 25.943 0.025 . 1 . . . A 142 LEU CG . 17752 1 590 . 1 1 45 45 LEU CD1 C 13 22.831 0.001 . 2 . . . A 142 LEU CD1 . 17752 1 591 . 1 1 45 45 LEU N N 15 124.270 0.029 . 1 . . . A 142 LEU N . 17752 1 592 . 1 1 46 46 LEU H H 1 8.330 0.005 . 1 . . . A 143 LEU H . 17752 1 593 . 1 1 46 46 LEU HA H 1 4.666 0.006 . 1 . . . A 143 LEU HA . 17752 1 594 . 1 1 46 46 LEU HB2 H 1 1.415 0.022 . 2 . . . A 143 LEU HB2 . 17752 1 595 . 1 1 46 46 LEU HB3 H 1 1.342 0.006 . 2 . . . A 143 LEU HB3 . 17752 1 596 . 1 1 46 46 LEU HG H 1 0.842 0.005 . 1 . . . A 143 LEU HG . 17752 1 597 . 1 1 46 46 LEU HD11 H 1 0.857 0.007 . . . . . A 143 LEU HD11 . 17752 1 598 . 1 1 46 46 LEU HD12 H 1 0.857 0.007 . . . . . A 143 LEU HD12 . 17752 1 599 . 1 1 46 46 LEU HD13 H 1 0.857 0.007 . . . . . A 143 LEU HD13 . 17752 1 600 . 1 1 46 46 LEU HD21 H 1 0.858 0.008 . . . . . A 143 LEU HD21 . 17752 1 601 . 1 1 46 46 LEU HD22 H 1 0.858 0.008 . . . . . A 143 LEU HD22 . 17752 1 602 . 1 1 46 46 LEU HD23 H 1 0.858 0.008 . . . . . A 143 LEU HD23 . 17752 1 603 . 1 1 46 46 LEU C C 13 176.553 0.016 . 1 . . . A 143 LEU C . 17752 1 604 . 1 1 46 46 LEU CA C 13 52.236 0.028 . 1 . . . A 143 LEU CA . 17752 1 605 . 1 1 46 46 LEU CB C 13 44.725 0.035 . 1 . . . A 143 LEU CB . 17752 1 606 . 1 1 46 46 LEU CG C 13 26.751 0.000 . 1 . . . A 143 LEU CG . 17752 1 607 . 1 1 46 46 LEU CD1 C 13 23.480 0.000 . 2 . . . A 143 LEU CD1 . 17752 1 608 . 1 1 46 46 LEU CD2 C 13 25.480 0.000 . 2 . . . A 143 LEU CD2 . 17752 1 609 . 1 1 46 46 LEU N N 15 120.086 0.043 . 1 . . . A 143 LEU N . 17752 1 610 . 1 1 47 47 TYR H H 1 8.674 0.006 . 1 . . . A 144 TYR H . 17752 1 611 . 1 1 47 47 TYR HA H 1 5.650 0.015 . 1 . . . A 144 TYR HA . 17752 1 612 . 1 1 47 47 TYR HB2 H 1 2.876 0.009 . 2 . . . A 144 TYR HB2 . 17752 1 613 . 1 1 47 47 TYR HB3 H 1 2.605 0.010 . 2 . . . A 144 TYR HB3 . 17752 1 614 . 1 1 47 47 TYR HD1 H 1 7.099 0.008 . 3 . . . A 144 TYR HD1 . 17752 1 615 . 1 1 47 47 TYR HD2 H 1 7.099 0.008 . 3 . . . A 144 TYR HD2 . 17752 1 616 . 1 1 47 47 TYR HE1 H 1 6.689 0.007 . 3 . . . A 144 TYR HE1 . 17752 1 617 . 1 1 47 47 TYR HE2 H 1 6.689 0.007 . 3 . . . A 144 TYR HE2 . 17752 1 618 . 1 1 47 47 TYR HH H 1 9.461 0.004 . 1 . . . A 144 TYR HH . 17752 1 619 . 1 1 47 47 TYR C C 13 175.013 0.003 . 1 . . . A 144 TYR C . 17752 1 620 . 1 1 47 47 TYR CA C 13 57.301 0.015 . 1 . . . A 144 TYR CA . 17752 1 621 . 1 1 47 47 TYR CB C 13 43.200 0.000 . 1 . . . A 144 TYR CB . 17752 1 622 . 1 1 47 47 TYR N N 15 115.644 0.051 . 1 . . . A 144 TYR N . 17752 1 623 . 1 1 48 48 GLU H H 1 8.186 0.005 . 1 . . . A 145 GLU H . 17752 1 624 . 1 1 48 48 GLU HA H 1 4.835 0.006 . 1 . . . A 145 GLU HA . 17752 1 625 . 1 1 48 48 GLU HB2 H 1 1.381 0.013 . 2 . . . A 145 GLU HB2 . 17752 1 626 . 1 1 48 48 GLU HB3 H 1 1.471 0.011 . 2 . . . A 145 GLU HB3 . 17752 1 627 . 1 1 48 48 GLU HG2 H 1 2.220 0.016 . 2 . . . A 145 GLU HG2 . 17752 1 628 . 1 1 48 48 GLU HG3 H 1 2.075 0.007 . 2 . . . A 145 GLU HG3 . 17752 1 629 . 1 1 48 48 GLU C C 13 173.623 0.017 . 1 . . . A 145 GLU C . 17752 1 630 . 1 1 48 48 GLU CA C 13 54.810 0.047 . 1 . . . A 145 GLU CA . 17752 1 631 . 1 1 48 48 GLU CB C 13 35.923 0.015 . 1 . . . A 145 GLU CB . 17752 1 632 . 1 1 48 48 GLU CG C 13 38.301 0.009 . 1 . . . A 145 GLU CG . 17752 1 633 . 1 1 48 48 GLU N N 15 120.669 0.055 . 1 . . . A 145 GLU N . 17752 1 634 . 1 1 49 49 ILE H H 1 8.707 0.005 . 1 . . . A 146 ILE H . 17752 1 635 . 1 1 49 49 ILE HA H 1 5.069 0.022 . 1 . . . A 146 ILE HA . 17752 1 636 . 1 1 49 49 ILE HB H 1 1.496 0.010 . 1 . . . A 146 ILE HB . 17752 1 637 . 1 1 49 49 ILE HG12 H 1 0.570 0.014 . 2 . . . A 146 ILE HG12 . 17752 1 638 . 1 1 49 49 ILE HG13 H 1 1.120 0.005 . 2 . . . A 146 ILE HG13 . 17752 1 639 . 1 1 49 49 ILE HG21 H 1 0.565 0.018 . . . . . A 146 ILE HG21 . 17752 1 640 . 1 1 49 49 ILE HG22 H 1 0.565 0.018 . . . . . A 146 ILE HG22 . 17752 1 641 . 1 1 49 49 ILE HG23 H 1 0.565 0.018 . . . . . A 146 ILE HG23 . 17752 1 642 . 1 1 49 49 ILE HD11 H 1 0.510 0.004 . . . . . A 146 ILE HD11 . 17752 1 643 . 1 1 49 49 ILE HD12 H 1 0.510 0.004 . . . . . A 146 ILE HD12 . 17752 1 644 . 1 1 49 49 ILE HD13 H 1 0.510 0.004 . . . . . A 146 ILE HD13 . 17752 1 645 . 1 1 49 49 ILE C C 13 174.840 0.003 . 1 . . . A 146 ILE C . 17752 1 646 . 1 1 49 49 ILE CA C 13 58.375 0.025 . 1 . . . A 146 ILE CA . 17752 1 647 . 1 1 49 49 ILE CB C 13 42.256 0.011 . 1 . . . A 146 ILE CB . 17752 1 648 . 1 1 49 49 ILE CG1 C 13 26.871 0.074 . 1 . . . A 146 ILE CG1 . 17752 1 649 . 1 1 49 49 ILE CG2 C 13 18.113 0.044 . 1 . . . A 146 ILE CG2 . 17752 1 650 . 1 1 49 49 ILE CD1 C 13 15.198 0.005 . 1 . . . A 146 ILE CD1 . 17752 1 651 . 1 1 49 49 ILE N N 15 118.773 0.055 . 1 . . . A 146 ILE N . 17752 1 652 . 1 1 50 50 ARG H H 1 8.922 0.005 . 1 . . . A 147 ARG H . 17752 1 653 . 1 1 50 50 ARG HA H 1 5.882 0.015 . 1 . . . A 147 ARG HA . 17752 1 654 . 1 1 50 50 ARG HB2 H 1 0.767 0.001 . 2 . . . A 147 ARG HB2 . 17752 1 655 . 1 1 50 50 ARG HB3 H 1 1.055 0.008 . 2 . . . A 147 ARG HB3 . 17752 1 656 . 1 1 50 50 ARG HD2 H 1 3.017 0.007 . 2 . . . A 147 ARG HD2 . 17752 1 657 . 1 1 50 50 ARG HD3 H 1 2.901 0.003 . 2 . . . A 147 ARG HD3 . 17752 1 658 . 1 1 50 50 ARG HH22 H 1 7.822 0.004 . 2 . . . A 147 ARG HH22 . 17752 1 659 . 1 1 50 50 ARG HH21 H 1 6.902 0.004 . 2 . . . A 147 ARG HH21 . 17752 1 660 . 1 1 50 50 ARG C C 13 172.997 0.011 . 1 . . . A 147 ARG C . 17752 1 661 . 1 1 50 50 ARG CA C 13 53.454 0.066 . 1 . . . A 147 ARG CA . 17752 1 662 . 1 1 50 50 ARG CB C 13 34.273 0.055 . 1 . . . A 147 ARG CB . 17752 1 663 . 1 1 50 50 ARG CG C 13 23.891 0.000 . 1 . . . A 147 ARG CG . 17752 1 664 . 1 1 50 50 ARG CD C 13 42.573 0.000 . 1 . . . A 147 ARG CD . 17752 1 665 . 1 1 50 50 ARG N N 15 120.594 0.032 . 1 . . . A 147 ARG N . 17752 1 666 . 1 1 50 50 ARG NH2 N 15 113.396 0.000 . 2 . . . A 147 ARG NH2 . 17752 1 667 . 1 1 51 51 LEU H H 1 9.242 0.005 . 1 . . . A 148 LEU H . 17752 1 668 . 1 1 51 51 LEU HA H 1 6.200 0.017 . 1 . . . A 148 LEU HA . 17752 1 669 . 1 1 51 51 LEU HB2 H 1 1.789 0.007 . 2 . . . A 148 LEU HB2 . 17752 1 670 . 1 1 51 51 LEU HB3 H 1 2.079 0.009 . 2 . . . A 148 LEU HB3 . 17752 1 671 . 1 1 51 51 LEU HG H 1 1.877 0.003 . 1 . . . A 148 LEU HG . 17752 1 672 . 1 1 51 51 LEU HD11 H 1 1.021 0.007 . . . . . A 148 LEU HD11 . 17752 1 673 . 1 1 51 51 LEU HD12 H 1 1.021 0.007 . . . . . A 148 LEU HD12 . 17752 1 674 . 1 1 51 51 LEU HD13 H 1 1.021 0.007 . . . . . A 148 LEU HD13 . 17752 1 675 . 1 1 51 51 LEU HD21 H 1 0.760 0.006 . . . . . A 148 LEU HD21 . 17752 1 676 . 1 1 51 51 LEU HD22 H 1 0.760 0.006 . . . . . A 148 LEU HD22 . 17752 1 677 . 1 1 51 51 LEU HD23 H 1 0.760 0.006 . . . . . A 148 LEU HD23 . 17752 1 678 . 1 1 51 51 LEU C C 13 175.544 0.046 . 1 . . . A 148 LEU C . 17752 1 679 . 1 1 51 51 LEU CA C 13 54.601 0.072 . 1 . . . A 148 LEU CA . 17752 1 680 . 1 1 51 51 LEU CB C 13 46.908 0.013 . 1 . . . A 148 LEU CB . 17752 1 681 . 1 1 51 51 LEU CG C 13 27.536 0.003 . 1 . . . A 148 LEU CG . 17752 1 682 . 1 1 51 51 LEU CD1 C 13 27.320 0.002 . 2 . . . A 148 LEU CD1 . 17752 1 683 . 1 1 51 51 LEU CD2 C 13 26.319 0.002 . 2 . . . A 148 LEU CD2 . 17752 1 684 . 1 1 51 51 LEU N N 15 119.958 0.023 . 1 . . . A 148 LEU N . 17752 1 685 . 1 1 52 52 LYS H H 1 8.399 0.005 . 1 . . . A 149 LYS H . 17752 1 686 . 1 1 52 52 LYS HA H 1 4.945 0.020 . 1 . . . A 149 LYS HA . 17752 1 687 . 1 1 52 52 LYS HB2 H 1 1.183 0.005 . 2 . . . A 149 LYS HB2 . 17752 1 688 . 1 1 52 52 LYS HB3 H 1 1.721 0.005 . 2 . . . A 149 LYS HB3 . 17752 1 689 . 1 1 52 52 LYS HG2 H 1 -0.090 0.009 . 2 . . . A 149 LYS HG2 . 17752 1 690 . 1 1 52 52 LYS HG3 H 1 0.455 0.005 . 2 . . . A 149 LYS HG3 . 17752 1 691 . 1 1 52 52 LYS HD2 H 1 0.072 0.008 . 2 . . . A 149 LYS HD2 . 17752 1 692 . 1 1 52 52 LYS HD3 H 1 -0.767 0.008 . 2 . . . A 149 LYS HD3 . 17752 1 693 . 1 1 52 52 LYS HE2 H 1 1.631 0.007 . 2 . . . A 149 LYS HE2 . 17752 1 694 . 1 1 52 52 LYS HE3 H 1 1.870 0.006 . 2 . . . A 149 LYS HE3 . 17752 1 695 . 1 1 52 52 LYS C C 13 172.459 0.000 . 1 . . . A 149 LYS C . 17752 1 696 . 1 1 52 52 LYS CA C 13 54.828 0.032 . 1 . . . A 149 LYS CA . 17752 1 697 . 1 1 52 52 LYS CB C 13 32.809 0.027 . 1 . . . A 149 LYS CB . 17752 1 698 . 1 1 52 52 LYS CG C 13 21.209 0.001 . 1 . . . A 149 LYS CG . 17752 1 699 . 1 1 52 52 LYS CD C 13 27.289 0.000 . 1 . . . A 149 LYS CD . 17752 1 700 . 1 1 52 52 LYS CE C 13 41.359 0.000 . 1 . . . A 149 LYS CE . 17752 1 701 . 1 1 52 52 LYS N N 15 116.000 0.032 . 1 . . . A 149 LYS N . 17752 1 702 . 1 1 53 53 PRO HA H 1 4.103 0.010 . 1 . . . A 150 PRO HA . 17752 1 703 . 1 1 53 53 PRO HB2 H 1 1.527 0.007 . 2 . . . A 150 PRO HB2 . 17752 1 704 . 1 1 53 53 PRO HG3 H 1 1.875 0.006 . 2 . . . A 150 PRO HG3 . 17752 1 705 . 1 1 53 53 PRO HD2 H 1 3.595 0.016 . 2 . . . A 150 PRO HD2 . 17752 1 706 . 1 1 53 53 PRO HD3 H 1 3.265 0.010 . 2 . . . A 150 PRO HD3 . 17752 1 707 . 1 1 53 53 PRO C C 13 178.630 0.018 . 1 . . . A 150 PRO C . 17752 1 708 . 1 1 53 53 PRO CA C 13 61.651 0.015 . 1 . . . A 150 PRO CA . 17752 1 709 . 1 1 53 53 PRO CB C 13 31.521 0.018 . 1 . . . A 150 PRO CB . 17752 1 710 . 1 1 53 53 PRO CG C 13 26.842 0.000 . 1 . . . A 150 PRO CG . 17752 1 711 . 1 1 53 53 PRO CD C 13 49.471 0.001 . 1 . . . A 150 PRO CD . 17752 1 712 . 1 1 54 54 GLU H H 1 8.865 0.006 . 1 . . . A 151 GLU H . 17752 1 713 . 1 1 54 54 GLU HA H 1 3.580 0.009 . 1 . . . A 151 GLU HA . 17752 1 714 . 1 1 54 54 GLU HB3 H 1 1.899 0.008 . 2 . . . A 151 GLU HB3 . 17752 1 715 . 1 1 54 54 GLU HG3 H 1 2.175 0.009 . 2 . . . A 151 GLU HG3 . 17752 1 716 . 1 1 54 54 GLU C C 13 176.912 0.038 . 1 . . . A 151 GLU C . 17752 1 717 . 1 1 54 54 GLU CA C 13 60.163 0.012 . 1 . . . A 151 GLU CA . 17752 1 718 . 1 1 54 54 GLU CB C 13 30.024 0.021 . 1 . . . A 151 GLU CB . 17752 1 719 . 1 1 54 54 GLU CG C 13 35.751 0.024 . 1 . . . A 151 GLU CG . 17752 1 720 . 1 1 54 54 GLU N N 15 125.100 0.048 . 1 . . . A 151 GLU N . 17752 1 721 . 1 1 55 55 LYS H H 1 8.356 0.004 . 1 . . . A 152 LYS H . 17752 1 722 . 1 1 55 55 LYS HA H 1 4.150 0.010 . 1 . . . A 152 LYS HA . 17752 1 723 . 1 1 55 55 LYS HB2 H 1 1.675 0.010 . 2 . . . A 152 LYS HB2 . 17752 1 724 . 1 1 55 55 LYS HB3 H 1 1.899 0.010 . 2 . . . A 152 LYS HB3 . 17752 1 725 . 1 1 55 55 LYS HG2 H 1 1.307 0.015 . 2 . . . A 152 LYS HG2 . 17752 1 726 . 1 1 55 55 LYS HG3 H 1 1.362 0.004 . 2 . . . A 152 LYS HG3 . 17752 1 727 . 1 1 55 55 LYS HD3 H 1 1.593 0.019 . 2 . . . A 152 LYS HD3 . 17752 1 728 . 1 1 55 55 LYS HE3 H 1 2.919 0.011 . 2 . . . A 152 LYS HE3 . 17752 1 729 . 1 1 55 55 LYS C C 13 176.530 0.013 . 1 . . . A 152 LYS C . 17752 1 730 . 1 1 55 55 LYS CA C 13 56.088 0.009 . 1 . . . A 152 LYS CA . 17752 1 731 . 1 1 55 55 LYS CB C 13 31.681 0.019 . 1 . . . A 152 LYS CB . 17752 1 732 . 1 1 55 55 LYS CG C 13 25.135 0.015 . 1 . . . A 152 LYS CG . 17752 1 733 . 1 1 55 55 LYS CD C 13 28.713 0.003 . 1 . . . A 152 LYS CD . 17752 1 734 . 1 1 55 55 LYS CE C 13 42.197 0.000 . 1 . . . A 152 LYS CE . 17752 1 735 . 1 1 55 55 LYS N N 15 113.857 0.039 . 1 . . . A 152 LYS N . 17752 1 736 . 1 1 56 56 ALA H H 1 7.359 0.004 . 1 . . . A 153 ALA H . 17752 1 737 . 1 1 56 56 ALA HA H 1 4.252 0.015 . 1 . . . A 153 ALA HA . 17752 1 738 . 1 1 56 56 ALA HB1 H 1 1.335 0.003 . . . . . A 153 ALA HB1 . 17752 1 739 . 1 1 56 56 ALA HB2 H 1 1.335 0.003 . . . . . A 153 ALA HB2 . 17752 1 740 . 1 1 56 56 ALA HB3 H 1 1.335 0.003 . . . . . A 153 ALA HB3 . 17752 1 741 . 1 1 56 56 ALA C C 13 177.098 0.000 . 1 . . . A 153 ALA C . 17752 1 742 . 1 1 56 56 ALA CA C 13 51.651 0.011 . 1 . . . A 153 ALA CA . 17752 1 743 . 1 1 56 56 ALA CB C 13 20.289 0.014 . 1 . . . A 153 ALA CB . 17752 1 744 . 1 1 56 56 ALA N N 15 121.720 0.022 . 1 . . . A 153 ALA N . 17752 1 745 . 1 1 57 57 ALA HA H 1 4.171 0.005 . 1 . . . A 154 ALA HA . 17752 1 746 . 1 1 57 57 ALA HB1 H 1 1.376 0.012 . . . . . A 154 ALA HB1 . 17752 1 747 . 1 1 57 57 ALA HB2 H 1 1.376 0.012 . . . . . A 154 ALA HB2 . 17752 1 748 . 1 1 57 57 ALA HB3 H 1 1.376 0.012 . . . . . A 154 ALA HB3 . 17752 1 749 . 1 1 57 57 ALA C C 13 177.719 0.011 . 1 . . . A 154 ALA C . 17752 1 750 . 1 1 57 57 ALA CA C 13 53.285 0.021 . 1 . . . A 154 ALA CA . 17752 1 751 . 1 1 57 57 ALA CB C 13 19.767 0.029 . 1 . . . A 154 ALA CB . 17752 1 752 . 1 1 58 58 GLU H H 1 7.527 0.004 . 1 . . . A 155 GLU H . 17752 1 753 . 1 1 58 58 GLU HA H 1 4.556 0.012 . 1 . . . A 155 GLU HA . 17752 1 754 . 1 1 58 58 GLU HB2 H 1 2.032 0.005 . 2 . . . A 155 GLU HB2 . 17752 1 755 . 1 1 58 58 GLU HB3 H 1 1.857 0.013 . 2 . . . A 155 GLU HB3 . 17752 1 756 . 1 1 58 58 GLU HG2 H 1 2.223 0.005 . 2 . . . A 155 GLU HG2 . 17752 1 757 . 1 1 58 58 GLU HG3 H 1 2.257 0.004 . 2 . . . A 155 GLU HG3 . 17752 1 758 . 1 1 58 58 GLU C C 13 174.857 0.006 . 1 . . . A 155 GLU C . 17752 1 759 . 1 1 58 58 GLU CA C 13 54.771 0.017 . 1 . . . A 155 GLU CA . 17752 1 760 . 1 1 58 58 GLU CB C 13 32.247 0.040 . 1 . . . A 155 GLU CB . 17752 1 761 . 1 1 58 58 GLU CG C 13 35.789 0.011 . 1 . . . A 155 GLU CG . 17752 1 762 . 1 1 58 58 GLU N N 15 115.658 0.029 . 1 . . . A 155 GLU N . 17752 1 763 . 1 1 59 59 TRP H H 1 8.499 0.006 . 1 . . . A 156 TRP H . 17752 1 764 . 1 1 59 59 TRP HA H 1 4.334 0.010 . 1 . . . A 156 TRP HA . 17752 1 765 . 1 1 59 59 TRP HB2 H 1 2.808 0.000 . 2 . . . A 156 TRP HB2 . 17752 1 766 . 1 1 59 59 TRP HB3 H 1 2.820 0.009 . 2 . . . A 156 TRP HB3 . 17752 1 767 . 1 1 59 59 TRP HD1 H 1 7.119 0.008 . 1 . . . A 156 TRP HD1 . 17752 1 768 . 1 1 59 59 TRP HE1 H 1 10.038 0.010 . 1 . . . A 156 TRP HE1 . 17752 1 769 . 1 1 59 59 TRP HE3 H 1 6.854 0.010 . 1 . . . A 156 TRP HE3 . 17752 1 770 . 1 1 59 59 TRP HZ2 H 1 7.101 0.003 . 1 . . . A 156 TRP HZ2 . 17752 1 771 . 1 1 59 59 TRP HZ3 H 1 6.619 0.006 . 1 . . . A 156 TRP HZ3 . 17752 1 772 . 1 1 59 59 TRP HH2 H 1 6.642 0.009 . 1 . . . A 156 TRP HH2 . 17752 1 773 . 1 1 59 59 TRP C C 13 176.227 0.017 . 1 . . . A 156 TRP C . 17752 1 774 . 1 1 59 59 TRP CA C 13 56.986 0.020 . 1 . . . A 156 TRP CA . 17752 1 775 . 1 1 59 59 TRP CB C 13 31.064 0.034 . 1 . . . A 156 TRP CB . 17752 1 776 . 1 1 59 59 TRP CD1 C 13 128.173 0.009 . 1 . . . A 156 TRP CD1 . 17752 1 777 . 1 1 59 59 TRP CE3 C 13 119.174 0.004 . 1 . . . A 156 TRP CE3 . 17752 1 778 . 1 1 59 59 TRP CZ2 C 13 114.054 0.011 . 1 . . . A 156 TRP CZ2 . 17752 1 779 . 1 1 59 59 TRP CZ3 C 13 121.865 0.011 . 1 . . . A 156 TRP CZ3 . 17752 1 780 . 1 1 59 59 TRP CH2 C 13 124.926 0.004 . 1 . . . A 156 TRP CH2 . 17752 1 781 . 1 1 59 59 TRP N N 15 121.007 0.031 . 1 . . . A 156 TRP N . 17752 1 782 . 1 1 59 59 TRP NE1 N 15 129.845 0.075 . 1 . . . A 156 TRP NE1 . 17752 1 783 . 1 1 60 60 GLU H H 1 8.930 0.006 . 1 . . . A 157 GLU H . 17752 1 784 . 1 1 60 60 GLU HA H 1 4.689 0.014 . 1 . . . A 157 GLU HA . 17752 1 785 . 1 1 60 60 GLU HB3 H 1 2.215 0.007 . 2 . . . A 157 GLU HB3 . 17752 1 786 . 1 1 60 60 GLU HG3 H 1 2.414 0.008 . 2 . . . A 157 GLU HG3 . 17752 1 787 . 1 1 60 60 GLU C C 13 174.904 0.025 . 1 . . . A 157 GLU C . 17752 1 788 . 1 1 60 60 GLU CA C 13 55.797 0.025 . 1 . . . A 157 GLU CA . 17752 1 789 . 1 1 60 60 GLU CB C 13 31.671 0.039 . 1 . . . A 157 GLU CB . 17752 1 790 . 1 1 60 60 GLU CG C 13 36.390 0.012 . 1 . . . A 157 GLU CG . 17752 1 791 . 1 1 60 60 GLU N N 15 123.107 0.050 . 1 . . . A 157 GLU N . 17752 1 792 . 1 1 61 61 ILE H H 1 8.371 0.004 . 1 . . . A 158 ILE H . 17752 1 793 . 1 1 61 61 ILE HA H 1 4.972 0.015 . 1 . . . A 158 ILE HA . 17752 1 794 . 1 1 61 61 ILE HB H 1 1.611 0.006 . 1 . . . A 158 ILE HB . 17752 1 795 . 1 1 61 61 ILE HG13 H 1 0.993 0.006 . 2 . . . A 158 ILE HG13 . 17752 1 796 . 1 1 61 61 ILE HG21 H 1 0.783 0.007 . . . . . A 158 ILE HG21 . 17752 1 797 . 1 1 61 61 ILE HG22 H 1 0.783 0.007 . . . . . A 158 ILE HG22 . 17752 1 798 . 1 1 61 61 ILE HG23 H 1 0.783 0.007 . . . . . A 158 ILE HG23 . 17752 1 799 . 1 1 61 61 ILE HD11 H 1 0.757 0.006 . . . . . A 158 ILE HD11 . 17752 1 800 . 1 1 61 61 ILE HD12 H 1 0.757 0.006 . . . . . A 158 ILE HD12 . 17752 1 801 . 1 1 61 61 ILE HD13 H 1 0.757 0.006 . . . . . A 158 ILE HD13 . 17752 1 802 . 1 1 61 61 ILE C C 13 175.938 0.023 . 1 . . . A 158 ILE C . 17752 1 803 . 1 1 61 61 ILE CA C 13 60.029 0.007 . 1 . . . A 158 ILE CA . 17752 1 804 . 1 1 61 61 ILE CB C 13 39.652 0.015 . 1 . . . A 158 ILE CB . 17752 1 805 . 1 1 61 61 ILE CG1 C 13 28.502 0.000 . 1 . . . A 158 ILE CG1 . 17752 1 806 . 1 1 61 61 ILE CG2 C 13 17.532 0.000 . 1 . . . A 158 ILE CG2 . 17752 1 807 . 1 1 61 61 ILE CD1 C 13 13.312 0.005 . 1 . . . A 158 ILE CD1 . 17752 1 808 . 1 1 61 61 ILE N N 15 124.822 0.044 . 1 . . . A 158 ILE N . 17752 1 809 . 1 1 62 62 HIS H H 1 9.326 0.005 . 1 . . . A 159 HIS H . 17752 1 810 . 1 1 62 62 HIS HA H 1 4.750 0.005 . 1 . . . A 159 HIS HA . 17752 1 811 . 1 1 62 62 HIS HB2 H 1 2.278 0.012 . 2 . . . A 159 HIS HB2 . 17752 1 812 . 1 1 62 62 HIS HB3 H 1 2.650 0.010 . 2 . . . A 159 HIS HB3 . 17752 1 813 . 1 1 62 62 HIS HD2 H 1 6.454 0.007 . 1 . . . A 159 HIS HD2 . 17752 1 814 . 1 1 62 62 HIS HE1 H 1 7.911 0.012 . 1 . . . A 159 HIS HE1 . 17752 1 815 . 1 1 62 62 HIS C C 13 173.704 0.011 . 1 . . . A 159 HIS C . 17752 1 816 . 1 1 62 62 HIS CA C 13 54.910 0.036 . 1 . . . A 159 HIS CA . 17752 1 817 . 1 1 62 62 HIS CB C 13 34.940 0.060 . 1 . . . A 159 HIS CB . 17752 1 818 . 1 1 62 62 HIS CD2 C 13 116.887 0.001 . 1 . . . A 159 HIS CD2 . 17752 1 819 . 1 1 62 62 HIS CE1 C 13 138.864 0.012 . 1 . . . A 159 HIS CE1 . 17752 1 820 . 1 1 62 62 HIS N N 15 125.647 0.070 . 1 . . . A 159 HIS N . 17752 1 821 . 1 1 63 63 PHE H H 1 9.207 0.005 . 1 . . . A 160 PHE H . 17752 1 822 . 1 1 63 63 PHE HA H 1 4.897 0.008 . 1 . . . A 160 PHE HA . 17752 1 823 . 1 1 63 63 PHE HB2 H 1 3.490 0.012 . 2 . . . A 160 PHE HB2 . 17752 1 824 . 1 1 63 63 PHE HB3 H 1 3.253 0.010 . 2 . . . A 160 PHE HB3 . 17752 1 825 . 1 1 63 63 PHE HD1 H 1 7.580 0.006 . 3 . . . A 160 PHE HD1 . 17752 1 826 . 1 1 63 63 PHE HD2 H 1 7.580 0.006 . 3 . . . A 160 PHE HD2 . 17752 1 827 . 1 1 63 63 PHE HE1 H 1 7.530 0.004 . 3 . . . A 160 PHE HE1 . 17752 1 828 . 1 1 63 63 PHE HE2 H 1 7.530 0.004 . 3 . . . A 160 PHE HE2 . 17752 1 829 . 1 1 63 63 PHE HZ H 1 7.516 0.011 . 1 . . . A 160 PHE HZ . 17752 1 830 . 1 1 63 63 PHE C C 13 174.606 0.024 . 1 . . . A 160 PHE C . 17752 1 831 . 1 1 63 63 PHE CA C 13 58.097 0.030 . 1 . . . A 160 PHE CA . 17752 1 832 . 1 1 63 63 PHE CB C 13 39.192 0.033 . 1 . . . A 160 PHE CB . 17752 1 833 . 1 1 63 63 PHE CD1 C 13 132.852 0.024 . 3 . . . A 160 PHE CD1 . 17752 1 834 . 1 1 63 63 PHE CD2 C 13 132.852 0.024 . 3 . . . A 160 PHE CD2 . 17752 1 835 . 1 1 63 63 PHE CE1 C 13 131.418 0.000 . 3 . . . A 160 PHE CE1 . 17752 1 836 . 1 1 63 63 PHE CE2 C 13 131.418 0.000 . 3 . . . A 160 PHE CE2 . 17752 1 837 . 1 1 63 63 PHE CZ C 13 130.360 0.000 . 1 . . . A 160 PHE CZ . 17752 1 838 . 1 1 63 63 PHE N N 15 124.930 0.036 . 1 . . . A 160 PHE N . 17752 1 839 . 1 1 64 64 ALA H H 1 8.371 0.006 . 1 . . . A 161 ALA H . 17752 1 840 . 1 1 64 64 ALA HA H 1 4.645 0.017 . 1 . . . A 161 ALA HA . 17752 1 841 . 1 1 64 64 ALA HB1 H 1 1.334 0.006 . . . . . A 161 ALA HB1 . 17752 1 842 . 1 1 64 64 ALA HB2 H 1 1.334 0.006 . . . . . A 161 ALA HB2 . 17752 1 843 . 1 1 64 64 ALA HB3 H 1 1.334 0.006 . . . . . A 161 ALA HB3 . 17752 1 844 . 1 1 64 64 ALA C C 13 177.327 0.004 . 1 . . . A 161 ALA C . 17752 1 845 . 1 1 64 64 ALA CA C 13 51.333 0.054 . 1 . . . A 161 ALA CA . 17752 1 846 . 1 1 64 64 ALA CB C 13 19.696 0.028 . 1 . . . A 161 ALA CB . 17752 1 847 . 1 1 64 64 ALA N N 15 130.696 0.035 . 1 . . . A 161 ALA N . 17752 1 848 . 1 1 65 65 GLY H H 1 6.059 0.006 . 1 . . . A 162 GLY H . 17752 1 849 . 1 1 65 65 GLY HA2 H 1 3.319 0.012 . 2 . . . A 162 GLY HA2 . 17752 1 850 . 1 1 65 65 GLY HA3 H 1 4.014 0.008 . . . . . A 162 GLY HA3 . 17752 1 851 . 1 1 65 65 GLY C C 13 173.920 0.009 . 1 . . . A 162 GLY C . 17752 1 852 . 1 1 65 65 GLY CA C 13 47.245 0.038 . 1 . . . A 162 GLY CA . 17752 1 853 . 1 1 65 65 GLY N N 15 105.725 0.036 . 1 . . . A 162 GLY N . 17752 1 854 . 1 1 66 66 GLN H H 1 9.029 0.005 . 1 . . . A 163 GLN H . 17752 1 855 . 1 1 66 66 GLN HA H 1 5.120 0.014 . 1 . . . A 163 GLN HA . 17752 1 856 . 1 1 66 66 GLN HB2 H 1 2.464 0.022 . 2 . . . A 163 GLN HB2 . 17752 1 857 . 1 1 66 66 GLN HB3 H 1 2.081 0.019 . 2 . . . A 163 GLN HB3 . 17752 1 858 . 1 1 66 66 GLN HG2 H 1 2.496 0.011 . 2 . . . A 163 GLN HG2 . 17752 1 859 . 1 1 66 66 GLN HG3 H 1 2.424 0.014 . 2 . . . A 163 GLN HG3 . 17752 1 860 . 1 1 66 66 GLN HE21 H 1 7.683 0.006 . 2 . . . A 163 GLN HE21 . 17752 1 861 . 1 1 66 66 GLN HE22 H 1 7.016 0.005 . 2 . . . A 163 GLN HE22 . 17752 1 862 . 1 1 66 66 GLN C C 13 176.832 0.071 . 1 . . . A 163 GLN C . 17752 1 863 . 1 1 66 66 GLN CA C 13 55.887 0.015 . 1 . . . A 163 GLN CA . 17752 1 864 . 1 1 66 66 GLN CB C 13 30.063 0.030 . 1 . . . A 163 GLN CB . 17752 1 865 . 1 1 66 66 GLN CG C 13 34.771 0.008 . 1 . . . A 163 GLN CG . 17752 1 866 . 1 1 66 66 GLN CD C 13 180.680 0.004 . 1 . . . A 163 GLN CD . 17752 1 867 . 1 1 66 66 GLN N N 15 122.418 0.043 . 1 . . . A 163 GLN N . 17752 1 868 . 1 1 66 66 GLN NE2 N 15 112.346 0.039 . 1 . . . A 163 GLN NE2 . 17752 1 869 . 1 1 67 67 GLN H H 1 7.746 0.004 . 1 . . . A 164 GLN H . 17752 1 870 . 1 1 67 67 GLN HA H 1 4.373 0.010 . 1 . . . A 164 GLN HA . 17752 1 871 . 1 1 67 67 GLN HB3 H 1 2.467 0.010 . 2 . . . A 164 GLN HB3 . 17752 1 872 . 1 1 67 67 GLN HG2 H 1 2.759 0.008 . 2 . . . A 164 GLN HG2 . 17752 1 873 . 1 1 67 67 GLN HG3 H 1 2.633 0.011 . 2 . . . A 164 GLN HG3 . 17752 1 874 . 1 1 67 67 GLN HE21 H 1 7.837 0.004 . 2 . . . A 164 GLN HE21 . 17752 1 875 . 1 1 67 67 GLN HE22 H 1 7.085 0.006 . 2 . . . A 164 GLN HE22 . 17752 1 876 . 1 1 67 67 GLN C C 13 173.020 0.009 . 1 . . . A 164 GLN C . 17752 1 877 . 1 1 67 67 GLN CA C 13 56.025 0.018 . 1 . . . A 164 GLN CA . 17752 1 878 . 1 1 67 67 GLN CB C 13 30.868 0.033 . 1 . . . A 164 GLN CB . 17752 1 879 . 1 1 67 67 GLN CG C 13 34.548 0.032 . 1 . . . A 164 GLN CG . 17752 1 880 . 1 1 67 67 GLN CD C 13 180.879 0.011 . 1 . . . A 164 GLN CD . 17752 1 881 . 1 1 67 67 GLN N N 15 119.220 0.028 . 1 . . . A 164 GLN N . 17752 1 882 . 1 1 67 67 GLN NE2 N 15 112.457 0.020 . 1 . . . A 164 GLN NE2 . 17752 1 883 . 1 1 68 68 THR H H 1 7.716 0.004 . 1 . . . A 165 THR H . 17752 1 884 . 1 1 68 68 THR HA H 1 3.264 0.006 . 1 . . . A 165 THR HA . 17752 1 885 . 1 1 68 68 THR HB H 1 3.973 0.007 . 1 . . . A 165 THR HB . 17752 1 886 . 1 1 68 68 THR HG21 H 1 0.764 0.005 . . . . . A 165 THR HG21 . 17752 1 887 . 1 1 68 68 THR HG22 H 1 0.764 0.005 . . . . . A 165 THR HG22 . 17752 1 888 . 1 1 68 68 THR HG23 H 1 0.764 0.005 . . . . . A 165 THR HG23 . 17752 1 889 . 1 1 68 68 THR C C 13 171.726 0.022 . 1 . . . A 165 THR C . 17752 1 890 . 1 1 68 68 THR CA C 13 58.963 0.090 . 1 . . . A 165 THR CA . 17752 1 891 . 1 1 68 68 THR CB C 13 66.777 0.031 . 1 . . . A 165 THR CB . 17752 1 892 . 1 1 68 68 THR CG2 C 13 20.891 0.000 . 1 . . . A 165 THR CG2 . 17752 1 893 . 1 1 68 68 THR N N 15 104.368 0.058 . 1 . . . A 165 THR N . 17752 1 894 . 1 1 69 69 GLU H H 1 6.562 0.004 . 1 . . . A 166 GLU H . 17752 1 895 . 1 1 69 69 GLU HA H 1 4.597 0.011 . 1 . . . A 166 GLU HA . 17752 1 896 . 1 1 69 69 GLU HB2 H 1 1.825 0.009 . 2 . . . A 166 GLU HB2 . 17752 1 897 . 1 1 69 69 GLU HB3 H 1 1.747 0.006 . 2 . . . A 166 GLU HB3 . 17752 1 898 . 1 1 69 69 GLU HG2 H 1 1.885 0.007 . 2 . . . A 166 GLU HG2 . 17752 1 899 . 1 1 69 69 GLU HG3 H 1 2.061 0.008 . 2 . . . A 166 GLU HG3 . 17752 1 900 . 1 1 69 69 GLU C C 13 174.977 0.044 . 1 . . . A 166 GLU C . 17752 1 901 . 1 1 69 69 GLU CA C 13 53.742 0.023 . 1 . . . A 166 GLU CA . 17752 1 902 . 1 1 69 69 GLU CB C 13 33.177 0.030 . 1 . . . A 166 GLU CB . 17752 1 903 . 1 1 69 69 GLU CG C 13 34.767 0.005 . 1 . . . A 166 GLU CG . 17752 1 904 . 1 1 69 69 GLU N N 15 113.260 0.060 . 1 . . . A 166 GLU N . 17752 1 905 . 1 1 70 70 PHE H H 1 9.385 0.005 . 1 . . . A 167 PHE H . 17752 1 906 . 1 1 70 70 PHE HA H 1 4.545 0.010 . 1 . . . A 167 PHE HA . 17752 1 907 . 1 1 70 70 PHE HB2 H 1 3.184 0.012 . 2 . . . A 167 PHE HB2 . 17752 1 908 . 1 1 70 70 PHE HB3 H 1 2.679 0.010 . 2 . . . A 167 PHE HB3 . 17752 1 909 . 1 1 70 70 PHE HD1 H 1 7.297 0.006 . 3 . . . A 167 PHE HD1 . 17752 1 910 . 1 1 70 70 PHE HD2 H 1 7.297 0.006 . 3 . . . A 167 PHE HD2 . 17752 1 911 . 1 1 70 70 PHE HE1 H 1 7.110 0.004 . 3 . . . A 167 PHE HE1 . 17752 1 912 . 1 1 70 70 PHE HE2 H 1 7.110 0.004 . 3 . . . A 167 PHE HE2 . 17752 1 913 . 1 1 70 70 PHE C C 13 172.620 0.012 . 1 . . . A 167 PHE C . 17752 1 914 . 1 1 70 70 PHE CA C 13 58.957 0.023 . 1 . . . A 167 PHE CA . 17752 1 915 . 1 1 70 70 PHE CB C 13 45.667 0.033 . 1 . . . A 167 PHE CB . 17752 1 916 . 1 1 70 70 PHE CD1 C 13 131.169 0.000 . 3 . . . A 167 PHE CD1 . 17752 1 917 . 1 1 70 70 PHE CD2 C 13 131.169 0.000 . 3 . . . A 167 PHE CD2 . 17752 1 918 . 1 1 70 70 PHE CE1 C 13 131.169 0.000 . 3 . . . A 167 PHE CE1 . 17752 1 919 . 1 1 70 70 PHE CE2 C 13 131.169 0.000 . 3 . . . A 167 PHE CE2 . 17752 1 920 . 1 1 70 70 PHE N N 15 122.043 0.038 . 1 . . . A 167 PHE N . 17752 1 921 . 1 1 71 71 LYS H H 1 7.129 0.008 . 1 . . . A 168 LYS H . 17752 1 922 . 1 1 71 71 LYS HA H 1 5.667 0.010 . 1 . . . A 168 LYS HA . 17752 1 923 . 1 1 71 71 LYS HB2 H 1 1.226 0.006 . 2 . . . A 168 LYS HB2 . 17752 1 924 . 1 1 71 71 LYS HB3 H 1 1.372 0.008 . 2 . . . A 168 LYS HB3 . 17752 1 925 . 1 1 71 71 LYS HG2 H 1 1.333 0.006 . 2 . . . A 168 LYS HG2 . 17752 1 926 . 1 1 71 71 LYS HG3 H 1 1.120 0.008 . 2 . . . A 168 LYS HG3 . 17752 1 927 . 1 1 71 71 LYS HD2 H 1 1.013 0.005 . 2 . . . A 168 LYS HD2 . 17752 1 928 . 1 1 71 71 LYS HD3 H 1 0.771 0.005 . 2 . . . A 168 LYS HD3 . 17752 1 929 . 1 1 71 71 LYS HE2 H 1 2.255 0.001 . 2 . . . A 168 LYS HE2 . 17752 1 930 . 1 1 71 71 LYS HE3 H 1 2.258 0.006 . 2 . . . A 168 LYS HE3 . 17752 1 931 . 1 1 71 71 LYS C C 13 174.656 0.011 . 1 . . . A 168 LYS C . 17752 1 932 . 1 1 71 71 LYS CA C 13 54.701 0.021 . 1 . . . A 168 LYS CA . 17752 1 933 . 1 1 71 71 LYS CB C 13 35.338 0.040 . 1 . . . A 168 LYS CB . 17752 1 934 . 1 1 71 71 LYS CG C 13 25.296 0.001 . 1 . . . A 168 LYS CG . 17752 1 935 . 1 1 71 71 LYS CD C 13 29.003 0.001 . 1 . . . A 168 LYS CD . 17752 1 936 . 1 1 71 71 LYS CE C 13 40.849 0.000 . 1 . . . A 168 LYS CE . 17752 1 937 . 1 1 71 71 LYS N N 15 122.342 0.041 . 1 . . . A 168 LYS N . 17752 1 938 . 1 1 72 72 ILE H H 1 8.978 0.008 . 1 . . . A 169 ILE H . 17752 1 939 . 1 1 72 72 ILE HA H 1 4.334 0.012 . 1 . . . A 169 ILE HA . 17752 1 940 . 1 1 72 72 ILE HB H 1 1.838 0.022 . 1 . . . A 169 ILE HB . 17752 1 941 . 1 1 72 72 ILE HG12 H 1 1.412 0.016 . 2 . . . A 169 ILE HG12 . 17752 1 942 . 1 1 72 72 ILE HG13 H 1 1.228 0.022 . 2 . . . A 169 ILE HG13 . 17752 1 943 . 1 1 72 72 ILE HG21 H 1 0.899 0.010 . . . . . A 169 ILE HG21 . 17752 1 944 . 1 1 72 72 ILE HG22 H 1 0.899 0.010 . . . . . A 169 ILE HG22 . 17752 1 945 . 1 1 72 72 ILE HG23 H 1 0.899 0.010 . . . . . A 169 ILE HG23 . 17752 1 946 . 1 1 72 72 ILE HD11 H 1 0.523 0.018 . . . . . A 169 ILE HD11 . 17752 1 947 . 1 1 72 72 ILE HD12 H 1 0.523 0.018 . . . . . A 169 ILE HD12 . 17752 1 948 . 1 1 72 72 ILE HD13 H 1 0.523 0.018 . . . . . A 169 ILE HD13 . 17752 1 949 . 1 1 72 72 ILE C C 13 175.258 0.019 . 1 . . . A 169 ILE C . 17752 1 950 . 1 1 72 72 ILE CA C 13 59.091 0.022 . 1 . . . A 169 ILE CA . 17752 1 951 . 1 1 72 72 ILE CB C 13 39.295 0.044 . 1 . . . A 169 ILE CB . 17752 1 952 . 1 1 72 72 ILE CG1 C 13 26.911 0.002 . 1 . . . A 169 ILE CG1 . 17752 1 953 . 1 1 72 72 ILE CG2 C 13 16.753 0.000 . 1 . . . A 169 ILE CG2 . 17752 1 954 . 1 1 72 72 ILE CD1 C 13 11.124 0.038 . 1 . . . A 169 ILE CD1 . 17752 1 955 . 1 1 72 72 ILE N N 15 122.191 0.086 . 1 . . . A 169 ILE N . 17752 1 956 . 1 1 73 73 LEU H H 1 8.647 0.005 . 1 . . . A 170 LEU H . 17752 1 957 . 1 1 73 73 LEU HA H 1 4.647 0.014 . 1 . . . A 170 LEU HA . 17752 1 958 . 1 1 73 73 LEU HB2 H 1 1.793 0.017 . 2 . . . A 170 LEU HB2 . 17752 1 959 . 1 1 73 73 LEU HB3 H 1 1.654 0.009 . 2 . . . A 170 LEU HB3 . 17752 1 960 . 1 1 73 73 LEU HG H 1 1.651 0.008 . 1 . . . A 170 LEU HG . 17752 1 961 . 1 1 73 73 LEU HD11 H 1 0.794 0.006 . . . . . A 170 LEU HD11 . 17752 1 962 . 1 1 73 73 LEU HD12 H 1 0.794 0.006 . . . . . A 170 LEU HD12 . 17752 1 963 . 1 1 73 73 LEU HD13 H 1 0.794 0.006 . . . . . A 170 LEU HD13 . 17752 1 964 . 1 1 73 73 LEU HD21 H 1 0.730 0.012 . . . . . A 170 LEU HD21 . 17752 1 965 . 1 1 73 73 LEU HD22 H 1 0.730 0.012 . . . . . A 170 LEU HD22 . 17752 1 966 . 1 1 73 73 LEU HD23 H 1 0.730 0.012 . . . . . A 170 LEU HD23 . 17752 1 967 . 1 1 73 73 LEU C C 13 176.979 0.029 . 1 . . . A 170 LEU C . 17752 1 968 . 1 1 73 73 LEU CA C 13 56.171 0.017 . 1 . . . A 170 LEU CA . 17752 1 969 . 1 1 73 73 LEU CB C 13 43.187 0.019 . 1 . . . A 170 LEU CB . 17752 1 970 . 1 1 73 73 LEU CG C 13 28.357 0.001 . 1 . . . A 170 LEU CG . 17752 1 971 . 1 1 73 73 LEU CD1 C 13 24.636 0.004 . 2 . . . A 170 LEU CD1 . 17752 1 972 . 1 1 73 73 LEU CD2 C 13 23.873 0.004 . 2 . . . A 170 LEU CD2 . 17752 1 973 . 1 1 73 73 LEU N N 15 126.298 0.036 . 1 . . . A 170 LEU N . 17752 1 974 . 1 1 74 74 SER H H 1 7.438 0.005 . 1 . . . A 171 SER H . 17752 1 975 . 1 1 74 74 SER HA H 1 4.792 0.015 . 1 . . . A 171 SER HA . 17752 1 976 . 1 1 74 74 SER HB2 H 1 3.786 0.006 . 2 . . . A 171 SER HB2 . 17752 1 977 . 1 1 74 74 SER HB3 H 1 3.901 0.010 . 2 . . . A 171 SER HB3 . 17752 1 978 . 1 1 74 74 SER C C 13 172.975 0.013 . 1 . . . A 171 SER C . 17752 1 979 . 1 1 74 74 SER CA C 13 57.259 0.024 . 1 . . . A 171 SER CA . 17752 1 980 . 1 1 74 74 SER CB C 13 62.829 0.003 . 1 . . . A 171 SER CB . 17752 1 981 . 1 1 74 74 SER N N 15 112.997 0.023 . 1 . . . A 171 SER N . 17752 1 982 . 1 1 75 75 LEU H H 1 7.932 0.005 . 1 . . . A 172 LEU H . 17752 1 983 . 1 1 75 75 LEU HA H 1 4.454 0.007 . 1 . . . A 172 LEU HA . 17752 1 984 . 1 1 75 75 LEU HB2 H 1 1.184 0.005 . 2 . . . A 172 LEU HB2 . 17752 1 985 . 1 1 75 75 LEU HB3 H 1 1.075 0.005 . 2 . . . A 172 LEU HB3 . 17752 1 986 . 1 1 75 75 LEU HG H 1 1.221 0.004 . 1 . . . A 172 LEU HG . 17752 1 987 . 1 1 75 75 LEU HD11 H 1 0.344 0.007 . . . . . A 172 LEU HD11 . 17752 1 988 . 1 1 75 75 LEU HD12 H 1 0.344 0.007 . . . . . A 172 LEU HD12 . 17752 1 989 . 1 1 75 75 LEU HD13 H 1 0.344 0.007 . . . . . A 172 LEU HD13 . 17752 1 990 . 1 1 75 75 LEU HD21 H 1 0.299 0.018 . . . . . A 172 LEU HD21 . 17752 1 991 . 1 1 75 75 LEU HD22 H 1 0.299 0.018 . . . . . A 172 LEU HD22 . 17752 1 992 . 1 1 75 75 LEU HD23 H 1 0.299 0.018 . . . . . A 172 LEU HD23 . 17752 1 993 . 1 1 75 75 LEU C C 13 175.166 0.014 . 1 . . . A 172 LEU C . 17752 1 994 . 1 1 75 75 LEU CA C 13 53.276 0.013 . 1 . . . A 172 LEU CA . 17752 1 995 . 1 1 75 75 LEU CB C 13 45.925 0.014 . 1 . . . A 172 LEU CB . 17752 1 996 . 1 1 75 75 LEU CG C 13 26.374 0.039 . 1 . . . A 172 LEU CG . 17752 1 997 . 1 1 75 75 LEU CD1 C 13 25.205 0.028 . 2 . . . A 172 LEU CD1 . 17752 1 998 . 1 1 75 75 LEU CD2 C 13 22.784 0.005 . 2 . . . A 172 LEU CD2 . 17752 1 999 . 1 1 75 75 LEU N N 15 124.862 0.026 . 1 . . . A 172 LEU N . 17752 1 1000 . 1 1 76 76 HIS H H 1 8.350 0.006 . 1 . . . A 173 HIS H . 17752 1 1001 . 1 1 76 76 HIS HA H 1 5.027 0.012 . 1 . . . A 173 HIS HA . 17752 1 1002 . 1 1 76 76 HIS HB2 H 1 2.996 0.006 . 2 . . . A 173 HIS HB2 . 17752 1 1003 . 1 1 76 76 HIS HB3 H 1 3.054 0.006 . 2 . . . A 173 HIS HB3 . 17752 1 1004 . 1 1 76 76 HIS HD2 H 1 7.016 0.007 . 1 . . . A 173 HIS HD2 . 17752 1 1005 . 1 1 76 76 HIS HE1 H 1 7.821 0.002 . 1 . . . A 173 HIS HE1 . 17752 1 1006 . 1 1 76 76 HIS C C 13 173.227 0.000 . 1 . . . A 173 HIS C . 17752 1 1007 . 1 1 76 76 HIS CA C 13 53.512 0.003 . 1 . . . A 173 HIS CA . 17752 1 1008 . 1 1 76 76 HIS CB C 13 30.896 0.007 . 1 . . . A 173 HIS CB . 17752 1 1009 . 1 1 76 76 HIS CD2 C 13 119.292 0.003 . 1 . . . A 173 HIS CD2 . 17752 1 1010 . 1 1 76 76 HIS CE1 C 13 138.480 0.007 . 1 . . . A 173 HIS CE1 . 17752 1 1011 . 1 1 76 76 HIS N N 15 120.512 0.054 . 1 . . . A 173 HIS N . 17752 1 1012 . 1 1 77 77 PRO HA H 1 4.194 0.009 . 1 . . . A 174 PRO HA . 17752 1 1013 . 1 1 77 77 PRO HB2 H 1 2.417 0.016 . 2 . . . A 174 PRO HB2 . 17752 1 1014 . 1 1 77 77 PRO HB3 H 1 2.029 0.007 . 2 . . . A 174 PRO HB3 . 17752 1 1015 . 1 1 77 77 PRO HG2 H 1 2.156 0.008 . 2 . . . A 174 PRO HG2 . 17752 1 1016 . 1 1 77 77 PRO HG3 H 1 2.002 0.011 . 2 . . . A 174 PRO HG3 . 17752 1 1017 . 1 1 77 77 PRO HD3 H 1 3.859 0.006 . 2 . . . A 174 PRO HD3 . 17752 1 1018 . 1 1 77 77 PRO C C 13 178.280 0.007 . 1 . . . A 174 PRO C . 17752 1 1019 . 1 1 77 77 PRO CA C 13 63.005 0.026 . 1 . . . A 174 PRO CA . 17752 1 1020 . 1 1 77 77 PRO CB C 13 32.946 0.006 . 1 . . . A 174 PRO CB . 17752 1 1021 . 1 1 77 77 PRO CG C 13 27.913 0.000 . 1 . . . A 174 PRO CG . 17752 1 1022 . 1 1 77 77 PRO CD C 13 51.187 0.000 . 1 . . . A 174 PRO CD . 17752 1 1023 . 1 1 78 78 GLY H H 1 7.323 0.005 . 1 . . . A 175 GLY H . 17752 1 1024 . 1 1 78 78 GLY HA2 H 1 3.788 0.019 . 2 . . . A 175 GLY HA2 . 17752 1 1025 . 1 1 78 78 GLY HA3 H 1 4.140 0.007 . . . . . A 175 GLY HA3 . 17752 1 1026 . 1 1 78 78 GLY C C 13 173.983 0.017 . 1 . . . A 175 GLY C . 17752 1 1027 . 1 1 78 78 GLY CA C 13 46.309 0.067 . 1 . . . A 175 GLY CA . 17752 1 1028 . 1 1 78 78 GLY N N 15 109.449 0.030 . 1 . . . A 175 GLY N . 17752 1 1029 . 1 1 79 79 GLN H H 1 7.122 0.007 . 1 . . . A 176 GLN H . 17752 1 1030 . 1 1 79 79 GLN HA H 1 4.564 0.007 . 1 . . . A 176 GLN HA . 17752 1 1031 . 1 1 79 79 GLN HB2 H 1 1.961 0.013 . 2 . . . A 176 GLN HB2 . 17752 1 1032 . 1 1 79 79 GLN HB3 H 1 2.051 0.005 . 2 . . . A 176 GLN HB3 . 17752 1 1033 . 1 1 79 79 GLN HG2 H 1 2.190 0.008 . 2 . . . A 176 GLN HG2 . 17752 1 1034 . 1 1 79 79 GLN HG3 H 1 2.117 0.009 . 2 . . . A 176 GLN HG3 . 17752 1 1035 . 1 1 79 79 GLN HE21 H 1 7.371 0.004 . 2 . . . A 176 GLN HE21 . 17752 1 1036 . 1 1 79 79 GLN HE22 H 1 6.762 0.008 . 2 . . . A 176 GLN HE22 . 17752 1 1037 . 1 1 79 79 GLN C C 13 174.210 0.036 . 1 . . . A 176 GLN C . 17752 1 1038 . 1 1 79 79 GLN CA C 13 54.321 0.019 . 1 . . . A 176 GLN CA . 17752 1 1039 . 1 1 79 79 GLN CB C 13 30.805 0.021 . 1 . . . A 176 GLN CB . 17752 1 1040 . 1 1 79 79 GLN CG C 13 33.666 0.011 . 1 . . . A 176 GLN CG . 17752 1 1041 . 1 1 79 79 GLN N N 15 116.806 0.026 . 1 . . . A 176 GLN N . 17752 1 1042 . 1 1 79 79 GLN NE2 N 15 112.997 0.026 . 1 . . . A 176 GLN NE2 . 17752 1 1043 . 1 1 80 80 LYS H H 1 8.679 0.004 . 1 . . . A 177 LYS H . 17752 1 1044 . 1 1 80 80 LYS HA H 1 4.989 0.010 . 1 . . . A 177 LYS HA . 17752 1 1045 . 1 1 80 80 LYS HB3 H 1 1.771 0.006 . 2 . . . A 177 LYS HB3 . 17752 1 1046 . 1 1 80 80 LYS HG2 H 1 1.338 0.006 . 2 . . . A 177 LYS HG2 . 17752 1 1047 . 1 1 80 80 LYS HG3 H 1 1.250 0.005 . 2 . . . A 177 LYS HG3 . 17752 1 1048 . 1 1 80 80 LYS HD3 H 1 1.601 0.006 . 2 . . . A 177 LYS HD3 . 17752 1 1049 . 1 1 80 80 LYS HE2 H 1 2.788 0.008 . 2 . . . A 177 LYS HE2 . 17752 1 1050 . 1 1 80 80 LYS HE3 H 1 2.694 0.005 . 2 . . . A 177 LYS HE3 . 17752 1 1051 . 1 1 80 80 LYS C C 13 175.461 0.022 . 1 . . . A 177 LYS C . 17752 1 1052 . 1 1 80 80 LYS CA C 13 55.580 0.014 . 1 . . . A 177 LYS CA . 17752 1 1053 . 1 1 80 80 LYS CB C 13 33.369 0.046 . 1 . . . A 177 LYS CB . 17752 1 1054 . 1 1 80 80 LYS CG C 13 25.208 0.002 . 1 . . . A 177 LYS CG . 17752 1 1055 . 1 1 80 80 LYS CD C 13 29.174 0.060 . 1 . . . A 177 LYS CD . 17752 1 1056 . 1 1 80 80 LYS CE C 13 41.171 0.000 . 1 . . . A 177 LYS CE . 17752 1 1057 . 1 1 80 80 LYS N N 15 123.628 0.029 . 1 . . . A 177 LYS N . 17752 1 1058 . 1 1 81 81 TYR H H 1 9.407 0.005 . 1 . . . A 178 TYR H . 17752 1 1059 . 1 1 81 81 TYR HA H 1 5.084 0.020 . 1 . . . A 178 TYR HA . 17752 1 1060 . 1 1 81 81 TYR HB2 H 1 2.820 0.012 . 2 . . . A 178 TYR HB2 . 17752 1 1061 . 1 1 81 81 TYR HB3 H 1 2.418 0.011 . 2 . . . A 178 TYR HB3 . 17752 1 1062 . 1 1 81 81 TYR HD1 H 1 6.817 0.007 . 3 . . . A 178 TYR HD1 . 17752 1 1063 . 1 1 81 81 TYR HD2 H 1 6.817 0.007 . 3 . . . A 178 TYR HD2 . 17752 1 1064 . 1 1 81 81 TYR HE1 H 1 6.868 0.006 . 3 . . . A 178 TYR HE1 . 17752 1 1065 . 1 1 81 81 TYR HE2 H 1 6.868 0.006 . 3 . . . A 178 TYR HE2 . 17752 1 1066 . 1 1 81 81 TYR C C 13 174.883 0.019 . 1 . . . A 178 TYR C . 17752 1 1067 . 1 1 81 81 TYR CA C 13 57.082 0.019 . 1 . . . A 178 TYR CA . 17752 1 1068 . 1 1 81 81 TYR CB C 13 41.952 0.036 . 1 . . . A 178 TYR CB . 17752 1 1069 . 1 1 81 81 TYR CD1 C 13 132.415 0.055 . 3 . . . A 178 TYR CD1 . 17752 1 1070 . 1 1 81 81 TYR CD2 C 13 132.415 0.055 . 3 . . . A 178 TYR CD2 . 17752 1 1071 . 1 1 81 81 TYR CE1 C 13 117.688 0.000 . 3 . . . A 178 TYR CE1 . 17752 1 1072 . 1 1 81 81 TYR CE2 C 13 117.688 0.000 . 3 . . . A 178 TYR CE2 . 17752 1 1073 . 1 1 81 81 TYR N N 15 126.820 0.027 . 1 . . . A 178 TYR N . 17752 1 1074 . 1 1 82 82 LEU H H 1 8.457 0.005 . 1 . . . A 179 LEU H . 17752 1 1075 . 1 1 82 82 LEU HA H 1 4.993 0.009 . 1 . . . A 179 LEU HA . 17752 1 1076 . 1 1 82 82 LEU HB2 H 1 1.353 0.013 . 2 . . . A 179 LEU HB2 . 17752 1 1077 . 1 1 82 82 LEU HB3 H 1 1.458 0.019 . 2 . . . A 179 LEU HB3 . 17752 1 1078 . 1 1 82 82 LEU HG H 1 1.419 0.005 . 1 . . . A 179 LEU HG . 17752 1 1079 . 1 1 82 82 LEU HD11 H 1 0.767 0.012 . . . . . A 179 LEU HD11 . 17752 1 1080 . 1 1 82 82 LEU HD12 H 1 0.767 0.012 . . . . . A 179 LEU HD12 . 17752 1 1081 . 1 1 82 82 LEU HD13 H 1 0.767 0.012 . . . . . A 179 LEU HD13 . 17752 1 1082 . 1 1 82 82 LEU HD21 H 1 0.734 0.007 . . . . . A 179 LEU HD21 . 17752 1 1083 . 1 1 82 82 LEU HD22 H 1 0.734 0.007 . . . . . A 179 LEU HD22 . 17752 1 1084 . 1 1 82 82 LEU HD23 H 1 0.734 0.007 . . . . . A 179 LEU HD23 . 17752 1 1085 . 1 1 82 82 LEU C C 13 176.372 0.006 . 1 . . . A 179 LEU C . 17752 1 1086 . 1 1 82 82 LEU CA C 13 54.686 0.016 . 1 . . . A 179 LEU CA . 17752 1 1087 . 1 1 82 82 LEU CB C 13 45.287 0.010 . 1 . . . A 179 LEU CB . 17752 1 1088 . 1 1 82 82 LEU CG C 13 28.311 0.001 . 1 . . . A 179 LEU CG . 17752 1 1089 . 1 1 82 82 LEU CD1 C 13 25.457 0.022 . 2 . . . A 179 LEU CD1 . 17752 1 1090 . 1 1 82 82 LEU CD2 C 13 25.077 0.000 . 2 . . . A 179 LEU CD2 . 17752 1 1091 . 1 1 82 82 LEU N N 15 119.285 0.049 . 1 . . . A 179 LEU N . 17752 1 1092 . 1 1 83 83 VAL H H 1 8.442 0.003 . 1 . . . A 180 VAL H . 17752 1 1093 . 1 1 83 83 VAL HA H 1 5.167 0.015 . 1 . . . A 180 VAL HA . 17752 1 1094 . 1 1 83 83 VAL HB H 1 1.767 0.007 . 1 . . . A 180 VAL HB . 17752 1 1095 . 1 1 83 83 VAL HG11 H 1 0.860 0.008 . . . . . A 180 VAL HG11 . 17752 1 1096 . 1 1 83 83 VAL HG12 H 1 0.860 0.008 . . . . . A 180 VAL HG12 . 17752 1 1097 . 1 1 83 83 VAL HG13 H 1 0.860 0.008 . . . . . A 180 VAL HG13 . 17752 1 1098 . 1 1 83 83 VAL HG21 H 1 0.867 0.014 . . . . . A 180 VAL HG21 . 17752 1 1099 . 1 1 83 83 VAL HG22 H 1 0.867 0.014 . . . . . A 180 VAL HG22 . 17752 1 1100 . 1 1 83 83 VAL HG23 H 1 0.867 0.014 . . . . . A 180 VAL HG23 . 17752 1 1101 . 1 1 83 83 VAL C C 13 175.007 0.004 . 1 . . . A 180 VAL C . 17752 1 1102 . 1 1 83 83 VAL CA C 13 60.829 0.027 . 1 . . . A 180 VAL CA . 17752 1 1103 . 1 1 83 83 VAL CB C 13 35.132 0.026 . 1 . . . A 180 VAL CB . 17752 1 1104 . 1 1 83 83 VAL CG1 C 13 20.400 0.000 . 2 . . . A 180 VAL CG1 . 17752 1 1105 . 1 1 83 83 VAL CG2 C 13 21.279 0.000 . 2 . . . A 180 VAL CG2 . 17752 1 1106 . 1 1 83 83 VAL N N 15 119.136 0.036 . 1 . . . A 180 VAL N . 17752 1 1107 . 1 1 84 84 GLN H H 1 8.986 0.010 . 1 . . . A 181 GLN H . 17752 1 1108 . 1 1 84 84 GLN HA H 1 4.365 0.010 . 1 . . . A 181 GLN HA . 17752 1 1109 . 1 1 84 84 GLN HB3 H 1 1.712 0.037 . 2 . . . A 181 GLN HB3 . 17752 1 1110 . 1 1 84 84 GLN HG3 H 1 2.178 0.013 . 2 . . . A 181 GLN HG3 . 17752 1 1111 . 1 1 84 84 GLN HE21 H 1 7.704 0.005 . 2 . . . A 181 GLN HE21 . 17752 1 1112 . 1 1 84 84 GLN HE22 H 1 6.839 0.003 . 2 . . . A 181 GLN HE22 . 17752 1 1113 . 1 1 84 84 GLN C C 13 172.935 0.017 . 1 . . . A 181 GLN C . 17752 1 1114 . 1 1 84 84 GLN CA C 13 55.052 0.013 . 1 . . . A 181 GLN CA . 17752 1 1115 . 1 1 84 84 GLN CB C 13 36.079 0.030 . 1 . . . A 181 GLN CB . 17752 1 1116 . 1 1 84 84 GLN CG C 13 36.234 0.002 . 1 . . . A 181 GLN CG . 17752 1 1117 . 1 1 84 84 GLN CD C 13 180.189 0.012 . 1 . . . A 181 GLN CD . 17752 1 1118 . 1 1 84 84 GLN N N 15 121.769 0.043 . 1 . . . A 181 GLN N . 17752 1 1119 . 1 1 84 84 GLN NE2 N 15 111.899 0.038 . 1 . . . A 181 GLN NE2 . 17752 1 1120 . 1 1 85 85 VAL H H 1 8.425 0.005 . 1 . . . A 182 VAL H . 17752 1 1121 . 1 1 85 85 VAL HA H 1 5.444 0.013 . 1 . . . A 182 VAL HA . 17752 1 1122 . 1 1 85 85 VAL HB H 1 1.265 0.007 . 1 . . . A 182 VAL HB . 17752 1 1123 . 1 1 85 85 VAL HG11 H 1 -0.034 0.013 . . . . . A 182 VAL HG11 . 17752 1 1124 . 1 1 85 85 VAL HG12 H 1 -0.034 0.013 . . . . . A 182 VAL HG12 . 17752 1 1125 . 1 1 85 85 VAL HG13 H 1 -0.034 0.013 . . . . . A 182 VAL HG13 . 17752 1 1126 . 1 1 85 85 VAL HG21 H 1 0.305 0.013 . . . . . A 182 VAL HG21 . 17752 1 1127 . 1 1 85 85 VAL HG22 H 1 0.305 0.013 . . . . . A 182 VAL HG22 . 17752 1 1128 . 1 1 85 85 VAL HG23 H 1 0.305 0.013 . . . . . A 182 VAL HG23 . 17752 1 1129 . 1 1 85 85 VAL C C 13 172.842 0.022 . 1 . . . A 182 VAL C . 17752 1 1130 . 1 1 85 85 VAL CA C 13 59.501 0.039 . 1 . . . A 182 VAL CA . 17752 1 1131 . 1 1 85 85 VAL CB C 13 35.973 0.003 . 1 . . . A 182 VAL CB . 17752 1 1132 . 1 1 85 85 VAL CG1 C 13 19.976 0.012 . 2 . . . A 182 VAL CG1 . 17752 1 1133 . 1 1 85 85 VAL CG2 C 13 19.975 0.010 . 2 . . . A 182 VAL CG2 . 17752 1 1134 . 1 1 85 85 VAL N N 15 116.946 0.029 . 1 . . . A 182 VAL N . 17752 1 1135 . 1 1 86 86 ARG H H 1 8.853 0.005 . 1 . . . A 183 ARG H . 17752 1 1136 . 1 1 86 86 ARG HA H 1 4.586 0.010 . 1 . . . A 183 ARG HA . 17752 1 1137 . 1 1 86 86 ARG HB2 H 1 1.394 0.005 . 2 . . . A 183 ARG HB2 . 17752 1 1138 . 1 1 86 86 ARG HB3 H 1 2.155 0.004 . 2 . . . A 183 ARG HB3 . 17752 1 1139 . 1 1 86 86 ARG HG3 H 1 0.574 0.036 . 2 . . . A 183 ARG HG3 . 17752 1 1140 . 1 1 86 86 ARG C C 13 173.613 0.044 . 1 . . . A 183 ARG C . 17752 1 1141 . 1 1 86 86 ARG CA C 13 54.760 0.029 . 1 . . . A 183 ARG CA . 17752 1 1142 . 1 1 86 86 ARG CB C 13 33.484 0.004 . 1 . . . A 183 ARG CB . 17752 1 1143 . 1 1 86 86 ARG CG C 13 22.657 0.000 . 1 . . . A 183 ARG CG . 17752 1 1144 . 1 1 86 86 ARG N N 15 122.701 0.048 . 1 . . . A 183 ARG N . 17752 1 1145 . 1 1 87 87 CYS H H 1 8.869 0.007 . 1 . . . A 184 CYS H . 17752 1 1146 . 1 1 87 87 CYS HA H 1 6.281 0.013 . 1 . . . A 184 CYS HA . 17752 1 1147 . 1 1 87 87 CYS HB2 H 1 2.814 0.011 . 2 . . . A 184 CYS HB2 . 17752 1 1148 . 1 1 87 87 CYS HB3 H 1 2.231 0.017 . 2 . . . A 184 CYS HB3 . 17752 1 1149 . 1 1 87 87 CYS C C 13 172.060 0.009 . 1 . . . A 184 CYS C . 17752 1 1150 . 1 1 87 87 CYS CA C 13 54.763 0.025 . 1 . . . A 184 CYS CA . 17752 1 1151 . 1 1 87 87 CYS CB C 13 34.453 0.048 . 1 . . . A 184 CYS CB . 17752 1 1152 . 1 1 87 87 CYS N N 15 113.995 0.028 . 1 . . . A 184 CYS N . 17752 1 1153 . 1 1 88 88 LYS H H 1 8.680 0.004 . 1 . . . A 185 LYS H . 17752 1 1154 . 1 1 88 88 LYS HA H 1 4.650 0.011 . 1 . . . A 185 LYS HA . 17752 1 1155 . 1 1 88 88 LYS HB2 H 1 0.362 0.006 . 2 . . . A 185 LYS HB2 . 17752 1 1156 . 1 1 88 88 LYS HB3 H 1 0.377 0.005 . 2 . . . A 185 LYS HB3 . 17752 1 1157 . 1 1 88 88 LYS HG2 H 1 -0.199 0.013 . 2 . . . A 185 LYS HG2 . 17752 1 1158 . 1 1 88 88 LYS HG3 H 1 0.137 0.010 . 2 . . . A 185 LYS HG3 . 17752 1 1159 . 1 1 88 88 LYS HD2 H 1 0.091 0.008 . 2 . . . A 185 LYS HD2 . 17752 1 1160 . 1 1 88 88 LYS HD3 H 1 -0.249 0.009 . 2 . . . A 185 LYS HD3 . 17752 1 1161 . 1 1 88 88 LYS HE2 H 1 2.189 0.007 . 2 . . . A 185 LYS HE2 . 17752 1 1162 . 1 1 88 88 LYS HE3 H 1 2.153 0.008 . 2 . . . A 185 LYS HE3 . 17752 1 1163 . 1 1 88 88 LYS C C 13 172.274 0.000 . 1 . . . A 185 LYS C . 17752 1 1164 . 1 1 88 88 LYS CA C 13 53.192 0.008 . 1 . . . A 185 LYS CA . 17752 1 1165 . 1 1 88 88 LYS CB C 13 33.530 0.008 . 1 . . . A 185 LYS CB . 17752 1 1166 . 1 1 88 88 LYS CG C 13 20.949 0.000 . 1 . . . A 185 LYS CG . 17752 1 1167 . 1 1 88 88 LYS CD C 13 27.790 0.000 . 1 . . . A 185 LYS CD . 17752 1 1168 . 1 1 88 88 LYS CE C 13 41.125 0.001 . 1 . . . A 185 LYS CE . 17752 1 1169 . 1 1 88 88 LYS N N 15 119.231 0.030 . 1 . . . A 185 LYS N . 17752 1 1170 . 1 1 89 89 PRO HA H 1 4.874 0.004 . 1 . . . A 186 PRO HA . 17752 1 1171 . 1 1 89 89 PRO HB2 H 1 1.570 0.006 . 2 . . . A 186 PRO HB2 . 17752 1 1172 . 1 1 89 89 PRO HB3 H 1 1.725 0.006 . 2 . . . A 186 PRO HB3 . 17752 1 1173 . 1 1 89 89 PRO HG2 H 1 1.876 0.006 . 2 . . . A 186 PRO HG2 . 17752 1 1174 . 1 1 89 89 PRO HG3 H 1 1.360 0.013 . 2 . . . A 186 PRO HG3 . 17752 1 1175 . 1 1 89 89 PRO HD2 H 1 3.271 0.005 . 2 . . . A 186 PRO HD2 . 17752 1 1176 . 1 1 89 89 PRO HD3 H 1 3.259 0.009 . 2 . . . A 186 PRO HD3 . 17752 1 1177 . 1 1 89 89 PRO C C 13 177.163 0.031 . 1 . . . A 186 PRO C . 17752 1 1178 . 1 1 89 89 PRO CA C 13 60.867 0.030 . 1 . . . A 186 PRO CA . 17752 1 1179 . 1 1 89 89 PRO CB C 13 31.041 0.013 . 1 . . . A 186 PRO CB . 17752 1 1180 . 1 1 89 89 PRO CG C 13 27.238 0.000 . 1 . . . A 186 PRO CG . 17752 1 1181 . 1 1 89 89 PRO CD C 13 50.323 0.000 . 1 . . . A 186 PRO CD . 17752 1 1182 . 1 1 90 90 ASP H H 1 8.377 0.006 . 1 . . . A 187 ASP H . 17752 1 1183 . 1 1 90 90 ASP HA H 1 4.571 0.007 . 1 . . . A 187 ASP HA . 17752 1 1184 . 1 1 90 90 ASP HB2 H 1 2.415 0.009 . 2 . . . A 187 ASP HB2 . 17752 1 1185 . 1 1 90 90 ASP HB3 H 1 2.442 0.005 . 2 . . . A 187 ASP HB3 . 17752 1 1186 . 1 1 90 90 ASP C C 13 176.587 0.019 . 1 . . . A 187 ASP C . 17752 1 1187 . 1 1 90 90 ASP CA C 13 56.898 0.049 . 1 . . . A 187 ASP CA . 17752 1 1188 . 1 1 90 90 ASP CB C 13 40.161 0.011 . 1 . . . A 187 ASP CB . 17752 1 1189 . 1 1 90 90 ASP N N 15 121.615 0.039 . 1 . . . A 187 ASP N . 17752 1 1190 . 1 1 91 91 HIS H H 1 8.020 0.012 . 1 . . . A 188 HIS H . 17752 1 1191 . 1 1 91 91 HIS HA H 1 4.487 0.015 . 1 . . . A 188 HIS HA . 17752 1 1192 . 1 1 91 91 HIS HB2 H 1 3.077 0.000 . 2 . . . A 188 HIS HB2 . 17752 1 1193 . 1 1 91 91 HIS HB3 H 1 3.109 0.004 . 2 . . . A 188 HIS HB3 . 17752 1 1194 . 1 1 91 91 HIS HD2 H 1 6.843 0.019 . 1 . . . A 188 HIS HD2 . 17752 1 1195 . 1 1 91 91 HIS HE1 H 1 7.661 0.000 . 1 . . . A 188 HIS HE1 . 17752 1 1196 . 1 1 91 91 HIS C C 13 174.877 0.010 . 1 . . . A 188 HIS C . 17752 1 1197 . 1 1 91 91 HIS CA C 13 56.060 0.018 . 1 . . . A 188 HIS CA . 17752 1 1198 . 1 1 91 91 HIS CB C 13 29.064 0.079 . 1 . . . A 188 HIS CB . 17752 1 1199 . 1 1 91 91 HIS CD2 C 13 119.921 0.000 . 1 . . . A 188 HIS CD2 . 17752 1 1200 . 1 1 91 91 HIS CE1 C 13 137.882 0.000 . 1 . . . A 188 HIS CE1 . 17752 1 1201 . 1 1 91 91 HIS N N 15 115.767 0.037 . 1 . . . A 188 HIS N . 17752 1 1202 . 1 1 92 92 GLY H H 1 7.648 0.007 . 1 . . . A 189 GLY H . 17752 1 1203 . 1 1 92 92 GLY HA2 H 1 3.414 0.013 . 2 . . . A 189 GLY HA2 . 17752 1 1204 . 1 1 92 92 GLY HA3 H 1 4.099 0.022 . . . . . A 189 GLY HA3 . 17752 1 1205 . 1 1 92 92 GLY C C 13 171.977 0.014 . 1 . . . A 189 GLY C . 17752 1 1206 . 1 1 92 92 GLY CA C 13 44.356 0.014 . 1 . . . A 189 GLY CA . 17752 1 1207 . 1 1 92 92 GLY N N 15 108.492 0.030 . 1 . . . A 189 GLY N . 17752 1 1208 . 1 1 93 93 TYR H H 1 8.265 0.006 . 1 . . . A 190 TYR H . 17752 1 1209 . 1 1 93 93 TYR HA H 1 4.589 0.006 . 1 . . . A 190 TYR HA . 17752 1 1210 . 1 1 93 93 TYR HB2 H 1 3.116 0.011 . 2 . . . A 190 TYR HB2 . 17752 1 1211 . 1 1 93 93 TYR HB3 H 1 2.570 0.008 . 2 . . . A 190 TYR HB3 . 17752 1 1212 . 1 1 93 93 TYR HD1 H 1 7.029 0.005 . 3 . . . A 190 TYR HD1 . 17752 1 1213 . 1 1 93 93 TYR HD2 H 1 7.029 0.005 . 3 . . . A 190 TYR HD2 . 17752 1 1214 . 1 1 93 93 TYR HE1 H 1 6.755 0.002 . 3 . . . A 190 TYR HE1 . 17752 1 1215 . 1 1 93 93 TYR HE2 H 1 6.755 0.002 . 3 . . . A 190 TYR HE2 . 17752 1 1216 . 1 1 93 93 TYR C C 13 174.685 0.019 . 1 . . . A 190 TYR C . 17752 1 1217 . 1 1 93 93 TYR CA C 13 55.924 0.018 . 1 . . . A 190 TYR CA . 17752 1 1218 . 1 1 93 93 TYR CB C 13 40.462 0.031 . 1 . . . A 190 TYR CB . 17752 1 1219 . 1 1 93 93 TYR CD1 C 13 133.069 0.001 . 3 . . . A 190 TYR CD1 . 17752 1 1220 . 1 1 93 93 TYR CD2 C 13 133.069 0.001 . 3 . . . A 190 TYR CD2 . 17752 1 1221 . 1 1 93 93 TYR CE1 C 13 118.271 0.034 . 3 . . . A 190 TYR CE1 . 17752 1 1222 . 1 1 93 93 TYR CE2 C 13 118.271 0.034 . 3 . . . A 190 TYR CE2 . 17752 1 1223 . 1 1 93 93 TYR N N 15 120.823 0.032 . 1 . . . A 190 TYR N . 17752 1 1224 . 1 1 94 94 TRP H H 1 7.637 0.010 . 1 . . . A 191 TRP H . 17752 1 1225 . 1 1 94 94 TRP HA H 1 4.399 0.014 . 1 . . . A 191 TRP HA . 17752 1 1226 . 1 1 94 94 TRP HB2 H 1 3.001 0.016 . 2 . . . A 191 TRP HB2 . 17752 1 1227 . 1 1 94 94 TRP HB3 H 1 2.687 0.007 . 2 . . . A 191 TRP HB3 . 17752 1 1228 . 1 1 94 94 TRP HD1 H 1 7.150 0.010 . 1 . . . A 191 TRP HD1 . 17752 1 1229 . 1 1 94 94 TRP HE1 H 1 9.878 0.009 . 1 . . . A 191 TRP HE1 . 17752 1 1230 . 1 1 94 94 TRP HE3 H 1 5.097 0.016 . 1 . . . A 191 TRP HE3 . 17752 1 1231 . 1 1 94 94 TRP HZ2 H 1 7.293 0.005 . 1 . . . A 191 TRP HZ2 . 17752 1 1232 . 1 1 94 94 TRP HH2 H 1 6.759 0.005 . 1 . . . A 191 TRP HH2 . 17752 1 1233 . 1 1 94 94 TRP C C 13 178.522 0.042 . 1 . . . A 191 TRP C . 17752 1 1234 . 1 1 94 94 TRP CA C 13 57.620 0.057 . 1 . . . A 191 TRP CA . 17752 1 1235 . 1 1 94 94 TRP CB C 13 30.530 0.001 . 1 . . . A 191 TRP CB . 17752 1 1236 . 1 1 94 94 TRP CD1 C 13 128.044 0.055 . 1 . . . A 191 TRP CD1 . 17752 1 1237 . 1 1 94 94 TRP CE3 C 13 133.363 0.000 . 1 . . . A 191 TRP CE3 . 17752 1 1238 . 1 1 94 94 TRP CZ2 C 13 114.567 0.007 . 1 . . . A 191 TRP CZ2 . 17752 1 1239 . 1 1 94 94 TRP CH2 C 13 123.570 0.000 . 1 . . . A 191 TRP CH2 . 17752 1 1240 . 1 1 94 94 TRP N N 15 117.501 0.025 . 1 . . . A 191 TRP N . 17752 1 1241 . 1 1 94 94 TRP NE1 N 15 128.647 0.061 . 1 . . . A 191 TRP NE1 . 17752 1 1242 . 1 1 95 95 SER H H 1 9.755 0.005 . 1 . . . A 192 SER H . 17752 1 1243 . 1 1 95 95 SER HA H 1 4.314 0.012 . 1 . . . A 192 SER HA . 17752 1 1244 . 1 1 95 95 SER C C 13 173.924 0.037 . 1 . . . A 192 SER C . 17752 1 1245 . 1 1 95 95 SER CA C 13 57.840 0.019 . 1 . . . A 192 SER CA . 17752 1 1246 . 1 1 95 95 SER CB C 13 67.312 0.173 . 1 . . . A 192 SER CB . 17752 1 1247 . 1 1 95 95 SER N N 15 117.327 0.037 . 1 . . . A 192 SER N . 17752 1 1248 . 1 1 96 96 ALA H H 1 8.824 0.006 . 1 . . . A 193 ALA H . 17752 1 1249 . 1 1 96 96 ALA HA H 1 4.134 0.006 . 1 . . . A 193 ALA HA . 17752 1 1250 . 1 1 96 96 ALA HB1 H 1 1.402 0.010 . . . . . A 193 ALA HB1 . 17752 1 1251 . 1 1 96 96 ALA HB2 H 1 1.402 0.010 . . . . . A 193 ALA HB2 . 17752 1 1252 . 1 1 96 96 ALA HB3 H 1 1.402 0.010 . . . . . A 193 ALA HB3 . 17752 1 1253 . 1 1 96 96 ALA C C 13 178.311 0.026 . 1 . . . A 193 ALA C . 17752 1 1254 . 1 1 96 96 ALA CA C 13 52.387 0.025 . 1 . . . A 193 ALA CA . 17752 1 1255 . 1 1 96 96 ALA CB C 13 18.821 0.035 . 1 . . . A 193 ALA CB . 17752 1 1256 . 1 1 96 96 ALA N N 15 120.747 0.031 . 1 . . . A 193 ALA N . 17752 1 1257 . 1 1 97 97 TRP H H 1 8.118 0.004 . 1 . . . A 194 TRP H . 17752 1 1258 . 1 1 97 97 TRP HA H 1 4.314 0.009 . 1 . . . A 194 TRP HA . 17752 1 1259 . 1 1 97 97 TRP HB2 H 1 2.964 0.007 . 2 . . . A 194 TRP HB2 . 17752 1 1260 . 1 1 97 97 TRP HB3 H 1 2.672 0.009 . 2 . . . A 194 TRP HB3 . 17752 1 1261 . 1 1 97 97 TRP HD1 H 1 7.046 0.005 . 1 . . . A 194 TRP HD1 . 17752 1 1262 . 1 1 97 97 TRP HE1 H 1 9.786 0.005 . 1 . . . A 194 TRP HE1 . 17752 1 1263 . 1 1 97 97 TRP HZ2 H 1 6.807 0.008 . 1 . . . A 194 TRP HZ2 . 17752 1 1264 . 1 1 97 97 TRP HZ3 H 1 6.632 0.010 . 1 . . . A 194 TRP HZ3 . 17752 1 1265 . 1 1 97 97 TRP HH2 H 1 6.415 0.007 . 1 . . . A 194 TRP HH2 . 17752 1 1266 . 1 1 97 97 TRP C C 13 177.944 0.021 . 1 . . . A 194 TRP C . 17752 1 1267 . 1 1 97 97 TRP CA C 13 57.825 0.031 . 1 . . . A 194 TRP CA . 17752 1 1268 . 1 1 97 97 TRP CB C 13 29.702 0.001 . 1 . . . A 194 TRP CB . 17752 1 1269 . 1 1 97 97 TRP CD1 C 13 127.868 0.001 . 1 . . . A 194 TRP CD1 . 17752 1 1270 . 1 1 97 97 TRP CZ2 C 13 114.545 0.000 . 1 . . . A 194 TRP CZ2 . 17752 1 1271 . 1 1 97 97 TRP CZ3 C 13 123.320 0.000 . 1 . . . A 194 TRP CZ3 . 17752 1 1272 . 1 1 97 97 TRP CH2 C 13 123.368 0.001 . 1 . . . A 194 TRP CH2 . 17752 1 1273 . 1 1 97 97 TRP N N 15 120.634 0.049 . 1 . . . A 194 TRP N . 17752 1 1274 . 1 1 97 97 TRP NE1 N 15 129.493 0.077 . 1 . . . A 194 TRP NE1 . 17752 1 1275 . 1 1 98 98 SER H H 1 9.327 0.004 . 1 . . . A 195 SER H . 17752 1 1276 . 1 1 98 98 SER HA H 1 4.372 0.002 . 1 . . . A 195 SER HA . 17752 1 1277 . 1 1 98 98 SER C C 13 170.132 0.000 . 1 . . . A 195 SER C . 17752 1 1278 . 1 1 98 98 SER CA C 13 57.851 0.000 . 1 . . . A 195 SER CA . 17752 1 1279 . 1 1 98 98 SER CB C 13 62.213 0.000 . 1 . . . A 195 SER CB . 17752 1 1280 . 1 1 98 98 SER N N 15 118.649 0.027 . 1 . . . A 195 SER N . 17752 1 1281 . 1 1 99 99 PRO HA H 1 4.585 0.013 . 1 . . . A 196 PRO HA . 17752 1 1282 . 1 1 99 99 PRO HB2 H 1 1.902 0.009 . 2 . . . A 196 PRO HB2 . 17752 1 1283 . 1 1 99 99 PRO HB3 H 1 2.456 0.009 . 2 . . . A 196 PRO HB3 . 17752 1 1284 . 1 1 99 99 PRO HG2 H 1 2.107 0.005 . 2 . . . A 196 PRO HG2 . 17752 1 1285 . 1 1 99 99 PRO HG3 H 1 2.199 0.012 . 2 . . . A 196 PRO HG3 . 17752 1 1286 . 1 1 99 99 PRO HD2 H 1 3.616 0.008 . 2 . . . A 196 PRO HD2 . 17752 1 1287 . 1 1 99 99 PRO HD3 H 1 3.876 0.010 . 2 . . . A 196 PRO HD3 . 17752 1 1288 . 1 1 99 99 PRO C C 13 178.242 0.000 . 1 . . . A 196 PRO C . 17752 1 1289 . 1 1 99 99 PRO CA C 13 63.403 0.028 . 1 . . . A 196 PRO CA . 17752 1 1290 . 1 1 99 99 PRO CB C 13 31.405 0.041 . 1 . . . A 196 PRO CB . 17752 1 1291 . 1 1 99 99 PRO CG C 13 28.357 0.000 . 1 . . . A 196 PRO CG . 17752 1 1292 . 1 1 99 99 PRO CD C 13 49.946 0.000 . 1 . . . A 196 PRO CD . 17752 1 1293 . 1 1 100 100 ALA H H 1 9.001 0.004 . 1 . . . A 197 ALA H . 17752 1 1294 . 1 1 100 100 ALA HA H 1 4.680 0.013 . 1 . . . A 197 ALA HA . 17752 1 1295 . 1 1 100 100 ALA HB1 H 1 1.149 0.008 . . . . . A 197 ALA HB1 . 17752 1 1296 . 1 1 100 100 ALA HB2 H 1 1.149 0.008 . . . . . A 197 ALA HB2 . 17752 1 1297 . 1 1 100 100 ALA HB3 H 1 1.149 0.008 . . . . . A 197 ALA HB3 . 17752 1 1298 . 1 1 100 100 ALA C C 13 178.043 0.063 . 1 . . . A 197 ALA C . 17752 1 1299 . 1 1 100 100 ALA CA C 13 52.309 0.034 . 1 . . . A 197 ALA CA . 17752 1 1300 . 1 1 100 100 ALA CB C 13 18.973 0.028 . 1 . . . A 197 ALA CB . 17752 1 1301 . 1 1 100 100 ALA N N 15 127.219 0.040 . 1 . . . A 197 ALA N . 17752 1 1302 . 1 1 101 101 THR H H 1 8.617 0.005 . 1 . . . A 198 THR H . 17752 1 1303 . 1 1 101 101 THR HA H 1 4.598 0.011 . 1 . . . A 198 THR HA . 17752 1 1304 . 1 1 101 101 THR HB H 1 3.815 0.006 . 1 . . . A 198 THR HB . 17752 1 1305 . 1 1 101 101 THR HG21 H 1 1.188 0.008 . . . . . A 198 THR HG21 . 17752 1 1306 . 1 1 101 101 THR HG22 H 1 1.188 0.008 . . . . . A 198 THR HG22 . 17752 1 1307 . 1 1 101 101 THR HG23 H 1 1.188 0.008 . . . . . A 198 THR HG23 . 17752 1 1308 . 1 1 101 101 THR C C 13 172.242 0.022 . 1 . . . A 198 THR C . 17752 1 1309 . 1 1 101 101 THR CA C 13 61.440 0.018 . 1 . . . A 198 THR CA . 17752 1 1310 . 1 1 101 101 THR CB C 13 70.945 0.029 . 1 . . . A 198 THR CB . 17752 1 1311 . 1 1 101 101 THR CG2 C 13 21.924 0.056 . 1 . . . A 198 THR CG2 . 17752 1 1312 . 1 1 101 101 THR N N 15 118.178 0.055 . 1 . . . A 198 THR N . 17752 1 1313 . 1 1 102 102 PHE H H 1 8.419 0.003 . 1 . . . A 199 PHE H . 17752 1 1314 . 1 1 102 102 PHE HA H 1 5.867 0.014 . 1 . . . A 199 PHE HA . 17752 1 1315 . 1 1 102 102 PHE HB2 H 1 2.898 0.007 . 2 . . . A 199 PHE HB2 . 17752 1 1316 . 1 1 102 102 PHE HB3 H 1 3.000 0.011 . 2 . . . A 199 PHE HB3 . 17752 1 1317 . 1 1 102 102 PHE HD1 H 1 7.145 0.005 . 3 . . . A 199 PHE HD1 . 17752 1 1318 . 1 1 102 102 PHE HD2 H 1 7.145 0.005 . 3 . . . A 199 PHE HD2 . 17752 1 1319 . 1 1 102 102 PHE HE1 H 1 7.317 0.006 . 3 . . . A 199 PHE HE1 . 17752 1 1320 . 1 1 102 102 PHE HE2 H 1 7.317 0.006 . 3 . . . A 199 PHE HE2 . 17752 1 1321 . 1 1 102 102 PHE HZ H 1 7.306 0.004 . 1 . . . A 199 PHE HZ . 17752 1 1322 . 1 1 102 102 PHE C C 13 175.273 0.023 . 1 . . . A 199 PHE C . 17752 1 1323 . 1 1 102 102 PHE CA C 13 55.877 0.010 . 1 . . . A 199 PHE CA . 17752 1 1324 . 1 1 102 102 PHE CB C 13 42.052 0.065 . 1 . . . A 199 PHE CB . 17752 1 1325 . 1 1 102 102 PHE CD1 C 13 131.770 0.016 . 3 . . . A 199 PHE CD1 . 17752 1 1326 . 1 1 102 102 PHE CD2 C 13 131.770 0.016 . 3 . . . A 199 PHE CD2 . 17752 1 1327 . 1 1 102 102 PHE CE1 C 13 131.653 0.001 . 3 . . . A 199 PHE CE1 . 17752 1 1328 . 1 1 102 102 PHE CE2 C 13 131.653 0.001 . 3 . . . A 199 PHE CE2 . 17752 1 1329 . 1 1 102 102 PHE CZ C 13 129.903 0.000 . 1 . . . A 199 PHE CZ . 17752 1 1330 . 1 1 102 102 PHE N N 15 123.141 0.057 . 1 . . . A 199 PHE N . 17752 1 1331 . 1 1 103 103 ILE H H 1 8.940 0.005 . 1 . . . A 200 ILE H . 17752 1 1332 . 1 1 103 103 ILE HA H 1 4.674 0.010 . 1 . . . A 200 ILE HA . 17752 1 1333 . 1 1 103 103 ILE HB H 1 1.732 0.009 . 1 . . . A 200 ILE HB . 17752 1 1334 . 1 1 103 103 ILE HG12 H 1 0.985 0.014 . 2 . . . A 200 ILE HG12 . 17752 1 1335 . 1 1 103 103 ILE HG13 H 1 1.320 0.006 . 2 . . . A 200 ILE HG13 . 17752 1 1336 . 1 1 103 103 ILE HG21 H 1 0.765 0.007 . . . . . A 200 ILE HG21 . 17752 1 1337 . 1 1 103 103 ILE HG22 H 1 0.765 0.007 . . . . . A 200 ILE HG22 . 17752 1 1338 . 1 1 103 103 ILE HG23 H 1 0.765 0.007 . . . . . A 200 ILE HG23 . 17752 1 1339 . 1 1 103 103 ILE HD11 H 1 0.977 0.010 . . . . . A 200 ILE HD11 . 17752 1 1340 . 1 1 103 103 ILE HD12 H 1 0.977 0.010 . . . . . A 200 ILE HD12 . 17752 1 1341 . 1 1 103 103 ILE HD13 H 1 0.977 0.010 . . . . . A 200 ILE HD13 . 17752 1 1342 . 1 1 103 103 ILE C C 13 171.732 0.009 . 1 . . . A 200 ILE C . 17752 1 1343 . 1 1 103 103 ILE CA C 13 58.046 0.024 . 1 . . . A 200 ILE CA . 17752 1 1344 . 1 1 103 103 ILE CB C 13 41.631 0.037 . 1 . . . A 200 ILE CB . 17752 1 1345 . 1 1 103 103 ILE CG1 C 13 28.823 0.009 . 1 . . . A 200 ILE CG1 . 17752 1 1346 . 1 1 103 103 ILE CG2 C 13 16.657 0.004 . 1 . . . A 200 ILE CG2 . 17752 1 1347 . 1 1 103 103 ILE CD1 C 13 14.299 0.016 . 1 . . . A 200 ILE CD1 . 17752 1 1348 . 1 1 103 103 ILE N N 15 118.251 0.040 . 1 . . . A 200 ILE N . 17752 1 1349 . 1 1 104 104 GLN H H 1 8.641 0.006 . 1 . . . A 201 GLN H . 17752 1 1350 . 1 1 104 104 GLN HA H 1 4.592 0.012 . 1 . . . A 201 GLN HA . 17752 1 1351 . 1 1 104 104 GLN HB2 H 1 2.057 0.008 . 2 . . . A 201 GLN HB2 . 17752 1 1352 . 1 1 104 104 GLN HB3 H 1 1.938 0.012 . 2 . . . A 201 GLN HB3 . 17752 1 1353 . 1 1 104 104 GLN HG2 H 1 1.921 0.005 . 2 . . . A 201 GLN HG2 . 17752 1 1354 . 1 1 104 104 GLN HG3 H 1 2.295 0.007 . 2 . . . A 201 GLN HG3 . 17752 1 1355 . 1 1 104 104 GLN HE21 H 1 7.311 0.004 . 2 . . . A 201 GLN HE21 . 17752 1 1356 . 1 1 104 104 GLN HE22 H 1 6.468 0.004 . 2 . . . A 201 GLN HE22 . 17752 1 1357 . 1 1 104 104 GLN C C 13 174.363 0.038 . 1 . . . A 201 GLN C . 17752 1 1358 . 1 1 104 104 GLN CA C 13 54.484 0.020 . 1 . . . A 201 GLN CA . 17752 1 1359 . 1 1 104 104 GLN CB C 13 29.320 0.023 . 1 . . . A 201 GLN CB . 17752 1 1360 . 1 1 104 104 GLN CG C 13 33.223 0.000 . 1 . . . A 201 GLN CG . 17752 1 1361 . 1 1 104 104 GLN N N 15 127.961 0.031 . 1 . . . A 201 GLN N . 17752 1 1362 . 1 1 104 104 GLN NE2 N 15 111.742 0.027 . 1 . . . A 201 GLN NE2 . 17752 1 1363 . 1 1 105 105 ILE H H 1 8.676 0.004 . 1 . . . A 202 ILE H . 17752 1 1364 . 1 1 105 105 ILE HA H 1 4.406 0.009 . 1 . . . A 202 ILE HA . 17752 1 1365 . 1 1 105 105 ILE HB H 1 2.560 0.012 . 1 . . . A 202 ILE HB . 17752 1 1366 . 1 1 105 105 ILE HG12 H 1 1.117 0.007 . 2 . . . A 202 ILE HG12 . 17752 1 1367 . 1 1 105 105 ILE HG13 H 1 1.973 0.011 . 2 . . . A 202 ILE HG13 . 17752 1 1368 . 1 1 105 105 ILE HG21 H 1 0.748 0.015 . . . . . A 202 ILE HG21 . 17752 1 1369 . 1 1 105 105 ILE HG22 H 1 0.748 0.015 . . . . . A 202 ILE HG22 . 17752 1 1370 . 1 1 105 105 ILE HG23 H 1 0.748 0.015 . . . . . A 202 ILE HG23 . 17752 1 1371 . 1 1 105 105 ILE HD11 H 1 0.306 0.005 . . . . . A 202 ILE HD11 . 17752 1 1372 . 1 1 105 105 ILE HD12 H 1 0.306 0.005 . . . . . A 202 ILE HD12 . 17752 1 1373 . 1 1 105 105 ILE HD13 H 1 0.306 0.005 . . . . . A 202 ILE HD13 . 17752 1 1374 . 1 1 105 105 ILE C C 13 175.609 0.000 . 1 . . . A 202 ILE C . 17752 1 1375 . 1 1 105 105 ILE CA C 13 56.023 0.006 . 1 . . . A 202 ILE CA . 17752 1 1376 . 1 1 105 105 ILE CB C 13 35.689 0.000 . 1 . . . A 202 ILE CB . 17752 1 1377 . 1 1 105 105 ILE CG1 C 13 27.118 0.000 . 1 . . . A 202 ILE CG1 . 17752 1 1378 . 1 1 105 105 ILE CG2 C 13 16.600 0.001 . 1 . . . A 202 ILE CG2 . 17752 1 1379 . 1 1 105 105 ILE CD1 C 13 9.706 0.002 . 1 . . . A 202 ILE CD1 . 17752 1 1380 . 1 1 105 105 ILE N N 15 129.177 0.032 . 1 . . . A 202 ILE N . 17752 1 1381 . 1 1 106 106 PRO HA H 1 4.578 0.002 . 1 . . . A 203 PRO HA . 17752 1 1382 . 1 1 106 106 PRO HB2 H 1 2.527 0.007 . 2 . . . A 203 PRO HB2 . 17752 1 1383 . 1 1 106 106 PRO HB3 H 1 2.117 0.012 . 2 . . . A 203 PRO HB3 . 17752 1 1384 . 1 1 106 106 PRO HG2 H 1 2.095 0.004 . 2 . . . A 203 PRO HG2 . 17752 1 1385 . 1 1 106 106 PRO HG3 H 1 2.151 0.003 . 2 . . . A 203 PRO HG3 . 17752 1 1386 . 1 1 106 106 PRO HD2 H 1 3.513 0.007 . 2 . . . A 203 PRO HD2 . 17752 1 1387 . 1 1 106 106 PRO HD3 H 1 4.080 0.007 . 2 . . . A 203 PRO HD3 . 17752 1 1388 . 1 1 106 106 PRO CB C 13 33.030 0.000 . 1 . . . A 203 PRO CB . 17752 1 1389 . 1 1 106 106 PRO CG C 13 27.320 0.000 . 1 . . . A 203 PRO CG . 17752 1 1390 . 1 1 106 106 PRO CD C 13 51.083 0.000 . 1 . . . A 203 PRO CD . 17752 1 1391 . 1 1 107 107 SER H H 1 7.914 0.002 . 1 . . . A 204 SER H . 17752 1 1392 . 1 1 107 107 SER HA H 1 4.108 0.010 . 1 . . . A 204 SER HA . 17752 1 1393 . 1 1 107 107 SER HB2 H 1 3.912 0.014 . 2 . . . A 204 SER HB2 . 17752 1 1394 . 1 1 107 107 SER HB3 H 1 3.838 0.049 . 2 . . . A 204 SER HB3 . 17752 1 1395 . 1 1 107 107 SER C C 13 173.757 0.025 . 1 . . . A 204 SER C . 17752 1 1396 . 1 1 107 107 SER CA C 13 60.355 0.020 . 1 . . . A 204 SER CA . 17752 1 1397 . 1 1 107 107 SER CB C 13 63.094 0.101 . 1 . . . A 204 SER CB . 17752 1 1398 . 1 1 107 107 SER N N 15 115.204 0.011 . 1 . . . A 204 SER N . 17752 1 1399 . 1 1 108 108 ASP H H 1 8.244 0.003 . 1 . . . A 205 ASP H . 17752 1 1400 . 1 1 108 108 ASP HA H 1 4.659 0.007 . 1 . . . A 205 ASP HA . 17752 1 1401 . 1 1 108 108 ASP HB2 H 1 2.820 0.007 . 2 . . . A 205 ASP HB2 . 17752 1 1402 . 1 1 108 108 ASP HB3 H 1 2.582 0.012 . 2 . . . A 205 ASP HB3 . 17752 1 1403 . 1 1 108 108 ASP C C 13 175.704 0.022 . 1 . . . A 205 ASP C . 17752 1 1404 . 1 1 108 108 ASP CA C 13 53.229 0.019 . 1 . . . A 205 ASP CA . 17752 1 1405 . 1 1 108 108 ASP CB C 13 40.152 0.012 . 1 . . . A 205 ASP CB . 17752 1 1406 . 1 1 108 108 ASP N N 15 118.737 0.025 . 1 . . . A 205 ASP N . 17752 1 1407 . 1 1 109 109 PHE H H 1 7.595 0.004 . 1 . . . A 206 PHE H . 17752 1 1408 . 1 1 109 109 PHE HA H 1 4.411 0.008 . 1 . . . A 206 PHE HA . 17752 1 1409 . 1 1 109 109 PHE HB2 H 1 3.045 0.009 . 2 . . . A 206 PHE HB2 . 17752 1 1410 . 1 1 109 109 PHE HB3 H 1 2.981 0.010 . 2 . . . A 206 PHE HB3 . 17752 1 1411 . 1 1 109 109 PHE HD1 H 1 7.091 0.009 . 3 . . . A 206 PHE HD1 . 17752 1 1412 . 1 1 109 109 PHE HD2 H 1 7.091 0.009 . 3 . . . A 206 PHE HD2 . 17752 1 1413 . 1 1 109 109 PHE HE1 H 1 7.160 0.017 . 3 . . . A 206 PHE HE1 . 17752 1 1414 . 1 1 109 109 PHE HE2 H 1 7.160 0.017 . 3 . . . A 206 PHE HE2 . 17752 1 1415 . 1 1 109 109 PHE HZ H 1 7.033 0.002 . 1 . . . A 206 PHE HZ . 17752 1 1416 . 1 1 109 109 PHE C C 13 174.781 0.009 . 1 . . . A 206 PHE C . 17752 1 1417 . 1 1 109 109 PHE CA C 13 58.706 0.009 . 1 . . . A 206 PHE CA . 17752 1 1418 . 1 1 109 109 PHE CB C 13 40.075 0.014 . 1 . . . A 206 PHE CB . 17752 1 1419 . 1 1 109 109 PHE CD1 C 13 131.774 0.005 . 3 . . . A 206 PHE CD1 . 17752 1 1420 . 1 1 109 109 PHE CD2 C 13 131.774 0.005 . 3 . . . A 206 PHE CD2 . 17752 1 1421 . 1 1 109 109 PHE CE1 C 13 131.300 0.020 . 3 . . . A 206 PHE CE1 . 17752 1 1422 . 1 1 109 109 PHE CE2 C 13 131.300 0.020 . 3 . . . A 206 PHE CE2 . 17752 1 1423 . 1 1 109 109 PHE CZ C 13 129.583 0.010 . 1 . . . A 206 PHE CZ . 17752 1 1424 . 1 1 109 109 PHE N N 15 120.285 0.026 . 1 . . . A 206 PHE N . 17752 1 1425 . 1 1 110 110 THR H H 1 7.812 0.007 . 1 . . . A 207 THR H . 17752 1 1426 . 1 1 110 110 THR HA H 1 4.294 0.008 . 1 . . . A 207 THR HA . 17752 1 1427 . 1 1 110 110 THR HB H 1 4.137 0.009 . 1 . . . A 207 THR HB . 17752 1 1428 . 1 1 110 110 THR HG21 H 1 1.185 0.007 . . . . . A 207 THR HG21 . 17752 1 1429 . 1 1 110 110 THR HG22 H 1 1.185 0.007 . . . . . A 207 THR HG22 . 17752 1 1430 . 1 1 110 110 THR HG23 H 1 1.185 0.007 . . . . . A 207 THR HG23 . 17752 1 1431 . 1 1 110 110 THR C C 13 173.714 0.007 . 1 . . . A 207 THR C . 17752 1 1432 . 1 1 110 110 THR CA C 13 61.742 0.034 . 1 . . . A 207 THR CA . 17752 1 1433 . 1 1 110 110 THR CB C 13 70.070 0.021 . 1 . . . A 207 THR CB . 17752 1 1434 . 1 1 110 110 THR CG2 C 13 21.660 0.041 . 1 . . . A 207 THR CG2 . 17752 1 1435 . 1 1 110 110 THR N N 15 115.253 0.026 . 1 . . . A 207 THR N . 17752 1 1436 . 1 1 111 111 MET H H 1 8.391 0.003 . 1 . . . A 208 MET H . 17752 1 1437 . 1 1 111 111 MET HA H 1 4.555 0.012 . 1 . . . A 208 MET HA . 17752 1 1438 . 1 1 111 111 MET HB2 H 1 1.999 0.007 . 2 . . . A 208 MET HB2 . 17752 1 1439 . 1 1 111 111 MET HB3 H 1 2.144 0.010 . 2 . . . A 208 MET HB3 . 17752 1 1440 . 1 1 111 111 MET HG2 H 1 2.575 0.009 . 2 . . . A 208 MET HG2 . 17752 1 1441 . 1 1 111 111 MET HG3 H 1 2.556 0.017 . 2 . . . A 208 MET HG3 . 17752 1 1442 . 1 1 111 111 MET HE1 H 1 2.060 0.003 . . . . . A 208 MET HE1 . 17752 1 1443 . 1 1 111 111 MET HE2 H 1 2.060 0.003 . . . . . A 208 MET HE2 . 17752 1 1444 . 1 1 111 111 MET HE3 H 1 2.060 0.003 . . . . . A 208 MET HE3 . 17752 1 1445 . 1 1 111 111 MET C C 13 175.656 0.025 . 1 . . . A 208 MET C . 17752 1 1446 . 1 1 111 111 MET CA C 13 55.451 0.017 . 1 . . . A 208 MET CA . 17752 1 1447 . 1 1 111 111 MET CB C 13 33.175 0.063 . 1 . . . A 208 MET CB . 17752 1 1448 . 1 1 111 111 MET CG C 13 31.976 0.017 . 1 . . . A 208 MET CG . 17752 1 1449 . 1 1 111 111 MET CE C 13 16.248 0.009 . 1 . . . A 208 MET CE . 17752 1 1450 . 1 1 111 111 MET N N 15 122.575 0.023 . 1 . . . A 208 MET N . 17752 1 1451 . 1 1 112 112 ASN H H 1 8.442 0.003 . 1 . . . A 209 ASN H . 17752 1 1452 . 1 1 112 112 ASN HA H 1 4.785 0.010 . 1 . . . A 209 ASN HA . 17752 1 1453 . 1 1 112 112 ASN HB2 H 1 2.696 0.011 . 2 . . . A 209 ASN HB2 . 17752 1 1454 . 1 1 112 112 ASN HB3 H 1 2.866 0.006 . 2 . . . A 209 ASN HB3 . 17752 1 1455 . 1 1 112 112 ASN HD21 H 1 7.627 0.007 . 2 . . . A 209 ASN HD21 . 17752 1 1456 . 1 1 112 112 ASN HD22 H 1 6.883 0.005 . 2 . . . A 209 ASN HD22 . 17752 1 1457 . 1 1 112 112 ASN C C 13 173.846 0.020 . 1 . . . A 209 ASN C . 17752 1 1458 . 1 1 112 112 ASN CA C 13 53.341 0.041 . 1 . . . A 209 ASN CA . 17752 1 1459 . 1 1 112 112 ASN CB C 13 39.600 0.024 . 1 . . . A 209 ASN CB . 17752 1 1460 . 1 1 112 112 ASN CG C 13 177.178 0.007 . 1 . . . A 209 ASN CG . 17752 1 1461 . 1 1 112 112 ASN N N 15 120.351 0.023 . 1 . . . A 209 ASN N . 17752 1 1462 . 1 1 112 112 ASN ND2 N 15 112.984 0.147 . 1 . . . A 209 ASN ND2 . 17752 1 1463 . 1 1 113 113 ASP H H 1 8.025 0.005 . 1 . . . A 210 ASP H . 17752 1 1464 . 1 1 113 113 ASP HA H 1 4.383 0.009 . 1 . . . A 210 ASP HA . 17752 1 1465 . 1 1 113 113 ASP HB2 H 1 2.668 0.003 . 2 . . . A 210 ASP HB2 . 17752 1 1466 . 1 1 113 113 ASP HB3 H 1 2.567 0.004 . 2 . . . A 210 ASP HB3 . 17752 1 1467 . 1 1 113 113 ASP C C 13 168.771 0.000 . 1 . . . A 210 ASP C . 17752 1 1468 . 1 1 113 113 ASP CA C 13 56.017 0.004 . 1 . . . A 210 ASP CA . 17752 1 1469 . 1 1 113 113 ASP CB C 13 42.230 0.001 . 1 . . . A 210 ASP CB . 17752 1 1470 . 1 1 113 113 ASP N N 15 126.183 0.029 . 1 . . . A 210 ASP N . 17752 1 stop_ save_