data_25029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25029 _Entry.Title ; Specific and Non-Specific Interactions in Ultra-Weak Protein-Protein Associations Revealed by Solvent Paramagnetic Relaxation Enhancements ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-19 _Entry.Accession_date 2014-06-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Helle Johansson . . . 25029 2 Malene Jensen . R. . 25029 3 Henrik Gesmar . . . 25029 4 Sebastian Meier . . . 25029 5 Joachim Vinther . M. . 25029 6 Camille Keeler . . . 25029 7 Michael Hodsdon . E. . 25029 8 Jens Led . J. . 25029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 455 25029 '1H chemical shifts' 148 25029 '15N chemical shifts' 148 25029 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-09-26 2014-06-19 update BMRB 'update entry citation' 25029 1 . . 2014-06-24 2014-06-19 original author 'original release' 25029 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4689 'NMR Studies of the Backbone Flexibility and Structure of Human Growth Hormone' 25029 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25029 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/ja503546j _Citation.PubMed_ID 24969589 _Citation.Full_citation . _Citation.Title 'Specific and nonspecific interactions in ultraweak protein-protein associations revealed by solvent paramagnetic relaxation enhancements.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 136 _Citation.Journal_issue 29 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 10277 _Citation.Page_last 10286 _Citation.Year 2014 _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 Helle Johansson H. . . 25029 1 2 'Malene Ringkjobing' Jensen M. R. . 25029 1 3 Henrik Gesmar H. . . 25029 1 4 Sebastian Meier S. . . 25029 1 5 Joachim Vinther J. M. . 25029 1 6 Camille Keeler C. . . 25029 1 7 Michael Hodsdon M. E. . 25029 1 8 Jens Led J. J. . 25029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25029 _Assembly.ID 1 _Assembly.Name hGH _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hGH 1 $hGH A . yes native no no . . . 25029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hGH _Entity.Sf_category entity _Entity.Sf_framecode hGH _Entity.Entry_ID 25029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hGH _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FPTIPLSRLFDNAMLRAHRL HQLAFDTYQEFEEAYIPKEQ KYSFLQNPQTSLCFSESIPT PSNREETQQKSNLELLRISL LLIQSWLEPVQFLRSVFANS LVYGASDSNVYDLLKDLEEG IQTLMGRLEDGSPRTGQIFK QTYSKFDTNSHNDDALLKNY GLLYCFRKDMDKVETFLRIV QCRSVEGSCGF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4689 . "Human Growth Hormone" . . . . . 100.00 191 100.00 100.00 1.35e-137 . . . . 25029 1 2 no PDB 1A22 . "Human Growth Hormone Bound To Single Receptor" . . . . . 100.00 191 99.48 99.48 2.55e-136 . . . . 25029 1 3 no PDB 1BP3 . "The Xray Structure Of A Growth Hormone-Prolactin Receptor Complex" . . . . . 100.00 191 99.48 99.48 2.55e-136 . . . . 25029 1 4 no PDB 1HWG . "1:2 Complex Of Human Growth Hormone With Its Soluble Binding Protein" . . . . . 100.00 191 100.00 100.00 1.35e-137 . . . . 25029 1 5 no PDB 1HWH . "1:1 Complex Of Human Growth Hormone Mutant G120r With Its Soluble Binding Protein" . . . . . 100.00 191 99.48 99.48 2.55e-136 . . . . 25029 1 6 no PDB 3HHR . "Human Growth Hormone And Extracellular Domain Of Its Receptor: Crystal Structure Of The Complex" . . . . . 99.48 190 100.00 100.00 7.82e-137 . . . . 25029 1 7 no DBJ BAJ21175 . "growth hormone 1 [synthetic construct]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 25029 1 8 no EMBL CAA23778 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 217 99.48 99.48 4.16e-136 . . . . 25029 1 9 no EMBL CAA23779 . "growth hormone [Homo sapiens]" . . . . . 100.00 217 99.48 99.48 3.53e-136 . . . . 25029 1 10 no GB AAA52549 . "growth hormone GH-1 [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 25029 1 11 no GB AAA72260 . "human growth hormone [synthetic construct]" . . . . . 100.00 192 100.00 100.00 1.20e-137 . . . . 25029 1 12 no GB AAA98618 . "growth hormone [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 25029 1 13 no GB AAC42099 . "growth hormone [synthetic construct]" . . . . . 100.00 192 100.00 100.00 1.20e-137 . . . . 25029 1 14 no GB AAF23135 . "recombinant ubiquitin-somatotropin fusion protein [synthetic construct]" . . . . . 100.00 270 100.00 100.00 1.99e-137 . . . . 25029 1 15 no PRF 1403262B . "somatoliberin 20kD variant" . . . . . 100.00 217 99.48 99.48 3.53e-136 . . . . 25029 1 16 no REF NP_000506 . "somatotropin isoform 1 precursor [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 25029 1 17 no REF NP_001184093 . "somatotropin precursor [Pan troglodytes]" . . . . . 100.00 217 100.00 100.00 4.88e-137 . . . . 25029 1 18 no REF NP_001277233 . "growth hormone 1 precursor [Papio anubis]" . . . . . 100.00 217 97.38 98.95 1.57e-133 . . . . 25029 1 19 no REF XP_002827754 . "PREDICTED: somatotropin isoform X7 [Pongo abelii]" . . . . . 100.00 217 100.00 100.00 2.03e-137 . . . . 25029 1 20 no REF XP_003262698 . "PREDICTED: somatotropin isoform X1 [Nomascus leucogenys]" . . . . . 65.97 252 98.41 99.21 4.66e-82 . . . . 25029 1 21 no SP P01241 . "RecName: Full=Somatotropin; AltName: Full=Growth hormone; Short=GH; Short=GH-N; AltName: Full=Growth hormone 1; AltName: Full=P" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 25029 1 22 no SP P58756 . "RecName: Full=Somatotropin; AltName: Full=Growth hormone; Short=GH; Short=GH-N; AltName: Full=Growth hormone 1; AltName: Full=P" . . . . . 100.00 217 100.00 100.00 4.88e-137 . . . . 25029 1 23 no TPE CDW51387 . "TPA: growth hormone B5 [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 25029 1 24 no TPE CDW51389 . "TPA: growth hormone B2 [Pan troglodytes]" . . . . . 100.00 217 98.43 98.43 5.22e-134 . . . . 25029 1 25 no TPE CDW51391 . "TPA: growth hormone B2 [Gorilla gorilla]" . . . . . 100.00 217 100.00 100.00 2.35e-137 . . . . 25029 1 26 no TPE CDW51396 . "TPA: growth hormone B4 [Pongo abelii]" . . . . . 100.00 217 100.00 100.00 2.03e-137 . . . . 25029 1 27 no TPE CDW51399 . "TPA: growth hormone B2 [Nomascus leucogenys]" . . . . . 100.00 217 98.95 99.48 5.35e-136 . . . . 25029 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 . PHE . 25029 1 2 . PRO . 25029 1 3 . THR . 25029 1 4 . ILE . 25029 1 5 . PRO . 25029 1 6 . LEU . 25029 1 7 . SER . 25029 1 8 . ARG . 25029 1 9 . LEU . 25029 1 10 . PHE . 25029 1 11 . ASP . 25029 1 12 . ASN . 25029 1 13 . ALA . 25029 1 14 . MET . 25029 1 15 . LEU . 25029 1 16 . ARG . 25029 1 17 . ALA . 25029 1 18 . HIS . 25029 1 19 . ARG . 25029 1 20 . LEU . 25029 1 21 . HIS . 25029 1 22 . GLN . 25029 1 23 . LEU . 25029 1 24 . ALA . 25029 1 25 . PHE . 25029 1 26 . ASP . 25029 1 27 . THR . 25029 1 28 . TYR . 25029 1 29 . GLN . 25029 1 30 . GLU . 25029 1 31 . PHE . 25029 1 32 . GLU . 25029 1 33 . GLU . 25029 1 34 . ALA . 25029 1 35 . TYR . 25029 1 36 . ILE . 25029 1 37 . PRO . 25029 1 38 . LYS . 25029 1 39 . GLU . 25029 1 40 . GLN . 25029 1 41 . LYS . 25029 1 42 . TYR . 25029 1 43 . SER . 25029 1 44 . PHE . 25029 1 45 . LEU . 25029 1 46 . GLN . 25029 1 47 . ASN . 25029 1 48 . PRO . 25029 1 49 . GLN . 25029 1 50 . THR . 25029 1 51 . SER . 25029 1 52 . LEU . 25029 1 53 . CYS . 25029 1 54 . PHE . 25029 1 55 . SER . 25029 1 56 . GLU . 25029 1 57 . SER . 25029 1 58 . ILE . 25029 1 59 . PRO . 25029 1 60 . THR . 25029 1 61 . PRO . 25029 1 62 . SER . 25029 1 63 . ASN . 25029 1 64 . ARG . 25029 1 65 . GLU . 25029 1 66 . GLU . 25029 1 67 . THR . 25029 1 68 . GLN . 25029 1 69 . GLN . 25029 1 70 . LYS . 25029 1 71 . SER . 25029 1 72 . ASN . 25029 1 73 . LEU . 25029 1 74 . GLU . 25029 1 75 . LEU . 25029 1 76 . LEU . 25029 1 77 . ARG . 25029 1 78 . ILE . 25029 1 79 . SER . 25029 1 80 . LEU . 25029 1 81 . LEU . 25029 1 82 . LEU . 25029 1 83 . ILE . 25029 1 84 . GLN . 25029 1 85 . SER . 25029 1 86 . TRP . 25029 1 87 . LEU . 25029 1 88 . GLU . 25029 1 89 . PRO . 25029 1 90 . VAL . 25029 1 91 . GLN . 25029 1 92 . PHE . 25029 1 93 . LEU . 25029 1 94 . ARG . 25029 1 95 . SER . 25029 1 96 . VAL . 25029 1 97 . PHE . 25029 1 98 . ALA . 25029 1 99 . ASN . 25029 1 100 . SER . 25029 1 101 . LEU . 25029 1 102 . VAL . 25029 1 103 . TYR . 25029 1 104 . GLY . 25029 1 105 . ALA . 25029 1 106 . SER . 25029 1 107 . ASP . 25029 1 108 . SER . 25029 1 109 . ASN . 25029 1 110 . VAL . 25029 1 111 . TYR . 25029 1 112 . ASP . 25029 1 113 . LEU . 25029 1 114 . LEU . 25029 1 115 . LYS . 25029 1 116 . ASP . 25029 1 117 . LEU . 25029 1 118 . GLU . 25029 1 119 . GLU . 25029 1 120 . GLY . 25029 1 121 . ILE . 25029 1 122 . GLN . 25029 1 123 . THR . 25029 1 124 . LEU . 25029 1 125 . MET . 25029 1 126 . GLY . 25029 1 127 . ARG . 25029 1 128 . LEU . 25029 1 129 . GLU . 25029 1 130 . ASP . 25029 1 131 . GLY . 25029 1 132 . SER . 25029 1 133 . PRO . 25029 1 134 . ARG . 25029 1 135 . THR . 25029 1 136 . GLY . 25029 1 137 . GLN . 25029 1 138 . ILE . 25029 1 139 . PHE . 25029 1 140 . LYS . 25029 1 141 . GLN . 25029 1 142 . THR . 25029 1 143 . TYR . 25029 1 144 . SER . 25029 1 145 . LYS . 25029 1 146 . PHE . 25029 1 147 . ASP . 25029 1 148 . THR . 25029 1 149 . ASN . 25029 1 150 . SER . 25029 1 151 . HIS . 25029 1 152 . ASN . 25029 1 153 . ASP . 25029 1 154 . ASP . 25029 1 155 . ALA . 25029 1 156 . LEU . 25029 1 157 . LEU . 25029 1 158 . LYS . 25029 1 159 . ASN . 25029 1 160 . TYR . 25029 1 161 . GLY . 25029 1 162 . LEU . 25029 1 163 . LEU . 25029 1 164 . TYR . 25029 1 165 . CYS . 25029 1 166 . PHE . 25029 1 167 . ARG . 25029 1 168 . LYS . 25029 1 169 . ASP . 25029 1 170 . MET . 25029 1 171 . ASP . 25029 1 172 . LYS . 25029 1 173 . VAL . 25029 1 174 . GLU . 25029 1 175 . THR . 25029 1 176 . PHE . 25029 1 177 . LEU . 25029 1 178 . ARG . 25029 1 179 . ILE . 25029 1 180 . VAL . 25029 1 181 . GLN . 25029 1 182 . CYS . 25029 1 183 . ARG . 25029 1 184 . SER . 25029 1 185 . VAL . 25029 1 186 . GLU . 25029 1 187 . GLY . 25029 1 188 . SER . 25029 1 189 . CYS . 25029 1 190 . GLY . 25029 1 191 . PHE . 25029 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 . PHE 1 1 25029 1 . PRO 2 2 25029 1 . THR 3 3 25029 1 . ILE 4 4 25029 1 . PRO 5 5 25029 1 . LEU 6 6 25029 1 . SER 7 7 25029 1 . ARG 8 8 25029 1 . LEU 9 9 25029 1 . PHE 10 10 25029 1 . ASP 11 11 25029 1 . ASN 12 12 25029 1 . ALA 13 13 25029 1 . MET 14 14 25029 1 . LEU 15 15 25029 1 . ARG 16 16 25029 1 . ALA 17 17 25029 1 . HIS 18 18 25029 1 . ARG 19 19 25029 1 . LEU 20 20 25029 1 . HIS 21 21 25029 1 . GLN 22 22 25029 1 . LEU 23 23 25029 1 . ALA 24 24 25029 1 . PHE 25 25 25029 1 . ASP 26 26 25029 1 . THR 27 27 25029 1 . TYR 28 28 25029 1 . GLN 29 29 25029 1 . GLU 30 30 25029 1 . PHE 31 31 25029 1 . GLU 32 32 25029 1 . GLU 33 33 25029 1 . ALA 34 34 25029 1 . TYR 35 35 25029 1 . ILE 36 36 25029 1 . PRO 37 37 25029 1 . LYS 38 38 25029 1 . GLU 39 39 25029 1 . GLN 40 40 25029 1 . LYS 41 41 25029 1 . TYR 42 42 25029 1 . SER 43 43 25029 1 . PHE 44 44 25029 1 . LEU 45 45 25029 1 . GLN 46 46 25029 1 . ASN 47 47 25029 1 . PRO 48 48 25029 1 . GLN 49 49 25029 1 . THR 50 50 25029 1 . SER 51 51 25029 1 . LEU 52 52 25029 1 . CYS 53 53 25029 1 . PHE 54 54 25029 1 . SER 55 55 25029 1 . GLU 56 56 25029 1 . SER 57 57 25029 1 . ILE 58 58 25029 1 . PRO 59 59 25029 1 . THR 60 60 25029 1 . PRO 61 61 25029 1 . SER 62 62 25029 1 . ASN 63 63 25029 1 . ARG 64 64 25029 1 . GLU 65 65 25029 1 . GLU 66 66 25029 1 . THR 67 67 25029 1 . GLN 68 68 25029 1 . GLN 69 69 25029 1 . LYS 70 70 25029 1 . SER 71 71 25029 1 . ASN 72 72 25029 1 . LEU 73 73 25029 1 . GLU 74 74 25029 1 . LEU 75 75 25029 1 . LEU 76 76 25029 1 . ARG 77 77 25029 1 . ILE 78 78 25029 1 . SER 79 79 25029 1 . LEU 80 80 25029 1 . LEU 81 81 25029 1 . LEU 82 82 25029 1 . ILE 83 83 25029 1 . GLN 84 84 25029 1 . SER 85 85 25029 1 . TRP 86 86 25029 1 . LEU 87 87 25029 1 . GLU 88 88 25029 1 . PRO 89 89 25029 1 . VAL 90 90 25029 1 . GLN 91 91 25029 1 . PHE 92 92 25029 1 . LEU 93 93 25029 1 . ARG 94 94 25029 1 . SER 95 95 25029 1 . VAL 96 96 25029 1 . PHE 97 97 25029 1 . ALA 98 98 25029 1 . ASN 99 99 25029 1 . SER 100 100 25029 1 . LEU 101 101 25029 1 . VAL 102 102 25029 1 . TYR 103 103 25029 1 . GLY 104 104 25029 1 . ALA 105 105 25029 1 . SER 106 106 25029 1 . ASP 107 107 25029 1 . SER 108 108 25029 1 . ASN 109 109 25029 1 . VAL 110 110 25029 1 . TYR 111 111 25029 1 . ASP 112 112 25029 1 . LEU 113 113 25029 1 . LEU 114 114 25029 1 . LYS 115 115 25029 1 . ASP 116 116 25029 1 . LEU 117 117 25029 1 . GLU 118 118 25029 1 . GLU 119 119 25029 1 . GLY 120 120 25029 1 . ILE 121 121 25029 1 . GLN 122 122 25029 1 . THR 123 123 25029 1 . LEU 124 124 25029 1 . MET 125 125 25029 1 . GLY 126 126 25029 1 . ARG 127 127 25029 1 . LEU 128 128 25029 1 . GLU 129 129 25029 1 . ASP 130 130 25029 1 . GLY 131 131 25029 1 . SER 132 132 25029 1 . PRO 133 133 25029 1 . ARG 134 134 25029 1 . THR 135 135 25029 1 . GLY 136 136 25029 1 . GLN 137 137 25029 1 . ILE 138 138 25029 1 . PHE 139 139 25029 1 . LYS 140 140 25029 1 . GLN 141 141 25029 1 . THR 142 142 25029 1 . TYR 143 143 25029 1 . SER 144 144 25029 1 . LYS 145 145 25029 1 . PHE 146 146 25029 1 . ASP 147 147 25029 1 . THR 148 148 25029 1 . ASN 149 149 25029 1 . SER 150 150 25029 1 . HIS 151 151 25029 1 . ASN 152 152 25029 1 . ASP 153 153 25029 1 . ASP 154 154 25029 1 . ALA 155 155 25029 1 . LEU 156 156 25029 1 . LEU 157 157 25029 1 . LYS 158 158 25029 1 . ASN 159 159 25029 1 . TYR 160 160 25029 1 . GLY 161 161 25029 1 . LEU 162 162 25029 1 . LEU 163 163 25029 1 . TYR 164 164 25029 1 . CYS 165 165 25029 1 . PHE 166 166 25029 1 . ARG 167 167 25029 1 . LYS 168 168 25029 1 . ASP 169 169 25029 1 . MET 170 170 25029 1 . ASP 171 171 25029 1 . LYS 172 172 25029 1 . VAL 173 173 25029 1 . GLU 174 174 25029 1 . THR 175 175 25029 1 . PHE 176 176 25029 1 . LEU 177 177 25029 1 . ARG 178 178 25029 1 . ILE 179 179 25029 1 . VAL 180 180 25029 1 . GLN 181 181 25029 1 . CYS 182 182 25029 1 . ARG 183 183 25029 1 . SER 184 184 25029 1 . VAL 185 185 25029 1 . GLU 186 186 25029 1 . GLY 187 187 25029 1 . SER 188 188 25029 1 . CYS 189 189 25029 1 . GLY 190 190 25029 1 . PHE 191 191 25029 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 25029 _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 $hGH . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25029 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 25029 _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 $hGH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . - . . . . . . 25029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25029 _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 hGH '[U-100% 13C; U-100% 15N]' . . 1 $hGH . . 0.175 . . mM . . . . 25029 1 2 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 25029 1 3 NaH2PO4 'natural abundance' . . . . . . 15.4 . . mM . . . . 25029 1 4 Na2HPO4 'natural abundance' . . . . . . 9.5 . . mM . . . . 25029 1 5 NaN3 'natural abundance' . . . . . . 1.54 . . mM . . . . 25029 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25029 _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 temperature 298 . K 25029 1 pH 7 . pH 25029 1 pressure 1 . atm 25029 1 'ionic strength' 0.0706 . M 25029 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25029 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25029 1 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 25029 _NMR_spectrometer.ID 1 _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 25029 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25029 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 25029 _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 . . . . . . . . . . . . . . . . 25029 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25029 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25029 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25029 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25029 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 25029 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25029 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25029 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25029 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 25029 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _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' . . . 25029 1 2 '3D HNCA' . . . 25029 1 3 '3D HNCO' . . . 25029 1 4 '3D HNCACB' . . . 25029 1 5 '3D CBCA(CO)NH' . . . 25029 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 176.70 0.10 . 1 . . . . 2 PRO C . 25029 1 2 . 1 1 2 2 PRO CA C 13 63.40 0.10 . 1 . . . . 2 PRO CA . 25029 1 3 . 1 1 2 2 PRO CB C 13 31.77 0.10 . 1 . . . . 2 PRO CB . 25029 1 4 . 1 1 3 3 THR H H 1 8.24 0.02 . 1 . . . . 3 THR H . 25029 1 5 . 1 1 3 3 THR C C 13 174.60 0.10 . 1 . . . . 3 THR C . 25029 1 6 . 1 1 3 3 THR CA C 13 62.19 0.10 . 1 . . . . 3 THR CA . 25029 1 7 . 1 1 3 3 THR CB C 13 69.95 0.10 . 1 . . . . 3 THR CB . 25029 1 8 . 1 1 3 3 THR N N 15 115.40 0.15 . 1 . . . . 3 THR N . 25029 1 9 . 1 1 4 4 ILE H H 1 8.33 0.02 . 1 . . . . 4 ILE H . 25029 1 10 . 1 1 4 4 ILE CA C 13 58.63 0.10 . 1 . . . . 4 ILE CA . 25029 1 11 . 1 1 4 4 ILE CB C 13 38.60 0.10 . 1 . . . . 4 ILE CB . 25029 1 12 . 1 1 4 4 ILE N N 15 126.40 0.15 . 1 . . . . 4 ILE N . 25029 1 13 . 1 1 5 5 PRO C C 13 177.20 0.10 . 1 . . . . 5 PRO C . 25029 1 14 . 1 1 5 5 PRO CA C 13 62.69 0.10 . 1 . . . . 5 PRO CA . 25029 1 15 . 1 1 5 5 PRO CB C 13 31.69 0.10 . 1 . . . . 5 PRO CB . 25029 1 16 . 1 1 6 6 LEU H H 1 8.87 0.02 . 1 . . . . 6 LEU H . 25029 1 17 . 1 1 6 6 LEU C C 13 178.70 0.10 . 1 . . . . 6 LEU C . 25029 1 18 . 1 1 6 6 LEU CA C 13 58.10 0.10 . 1 . . . . 6 LEU CA . 25029 1 19 . 1 1 6 6 LEU CB C 13 41.08 0.10 . 1 . . . . 6 LEU CB . 25029 1 20 . 1 1 6 6 LEU N N 15 124.90 0.15 . 1 . . . . 6 LEU N . 25029 1 21 . 1 1 7 7 SER H H 1 8.90 0.02 . 1 . . . . 7 SER H . 25029 1 22 . 1 1 7 7 SER C C 13 176.60 0.10 . 1 . . . . 7 SER C . 25029 1 23 . 1 1 7 7 SER CA C 13 60.31 0.10 . 1 . . . . 7 SER CA . 25029 1 24 . 1 1 7 7 SER CB C 13 61.90 0.10 . 1 . . . . 7 SER CB . 25029 1 25 . 1 1 7 7 SER N N 15 111.50 0.15 . 1 . . . . 7 SER N . 25029 1 26 . 1 1 8 8 ARG H H 1 7.05 0.02 . 1 . . . . 8 ARG H . 25029 1 27 . 1 1 8 8 ARG C C 13 178.30 0.10 . 1 . . . . 8 ARG C . 25029 1 28 . 1 1 8 8 ARG CA C 13 58.16 0.10 . 1 . . . . 8 ARG CA . 25029 1 29 . 1 1 8 8 ARG CB C 13 29.67 0.10 . 1 . . . . 8 ARG CB . 25029 1 30 . 1 1 8 8 ARG N N 15 122.70 0.15 . 1 . . . . 8 ARG N . 25029 1 31 . 1 1 9 9 LEU H H 1 7.59 0.02 . 1 . . . . 9 LEU H . 25029 1 32 . 1 1 9 9 LEU C C 13 181.40 0.10 . 1 . . . . 9 LEU C . 25029 1 33 . 1 1 9 9 LEU CA C 13 57.91 0.10 . 1 . . . . 9 LEU CA . 25029 1 34 . 1 1 9 9 LEU CB C 13 41.10 0.10 . 1 . . . . 9 LEU CB . 25029 1 35 . 1 1 9 9 LEU N N 15 119.40 0.15 . 1 . . . . 9 LEU N . 25029 1 36 . 1 1 10 10 PHE H H 1 8.49 0.02 . 1 . . . . 10 PHE H . 25029 1 37 . 1 1 10 10 PHE C C 13 177.70 0.10 . 1 . . . . 10 PHE C . 25029 1 38 . 1 1 10 10 PHE CA C 13 63.48 0.10 . 1 . . . . 10 PHE CA . 25029 1 39 . 1 1 10 10 PHE CB C 13 38.53 0.10 . 1 . . . . 10 PHE CB . 25029 1 40 . 1 1 10 10 PHE N N 15 118.20 0.15 . 1 . . . . 10 PHE N . 25029 1 41 . 1 1 11 11 ASP H H 1 8.37 0.02 . 1 . . . . 11 ASP H . 25029 1 42 . 1 1 11 11 ASP C C 13 179.00 0.10 . 1 . . . . 11 ASP C . 25029 1 43 . 1 1 11 11 ASP CA C 13 57.99 0.10 . 1 . . . . 11 ASP CA . 25029 1 44 . 1 1 11 11 ASP CB C 13 43.72 0.10 . 1 . . . . 11 ASP CB . 25029 1 45 . 1 1 11 11 ASP N N 15 120.60 0.15 . 1 . . . . 11 ASP N . 25029 1 46 . 1 1 12 12 ASN H H 1 8.21 0.02 . 1 . . . . 12 ASN H . 25029 1 47 . 1 1 12 12 ASN C C 13 177.60 0.10 . 1 . . . . 12 ASN C . 25029 1 48 . 1 1 12 12 ASN CA C 13 55.84 0.10 . 1 . . . . 12 ASN CA . 25029 1 49 . 1 1 12 12 ASN CB C 13 38.06 0.10 . 1 . . . . 12 ASN CB . 25029 1 50 . 1 1 12 12 ASN N N 15 117.20 0.15 . 1 . . . . 12 ASN N . 25029 1 51 . 1 1 13 13 ALA H H 1 7.70 0.02 . 1 . . . . 13 ALA H . 25029 1 52 . 1 1 13 13 ALA C C 13 179.00 0.10 . 1 . . . . 13 ALA C . 25029 1 53 . 1 1 13 13 ALA CA C 13 55.08 0.10 . 1 . . . . 13 ALA CA . 25029 1 54 . 1 1 13 13 ALA CB C 13 16.65 0.10 . 1 . . . . 13 ALA CB . 25029 1 55 . 1 1 13 13 ALA N N 15 122.10 0.15 . 1 . . . . 13 ALA N . 25029 1 56 . 1 1 14 14 MET H H 1 8.97 0.02 . 1 . . . . 14 MET H . 25029 1 57 . 1 1 14 14 MET C C 13 179.50 0.10 . 1 . . . . 14 MET C . 25029 1 58 . 1 1 14 14 MET CA C 13 56.79 0.10 . 1 . . . . 14 MET CA . 25029 1 59 . 1 1 14 14 MET CB C 13 29.41 0.10 . 1 . . . . 14 MET CB . 25029 1 60 . 1 1 14 14 MET N N 15 116.80 0.15 . 1 . . . . 14 MET N . 25029 1 61 . 1 1 15 15 LEU H H 1 8.11 0.02 . 1 . . . . 15 LEU H . 25029 1 62 . 1 1 15 15 LEU C C 13 180.60 0.10 . 1 . . . . 15 LEU C . 25029 1 63 . 1 1 15 15 LEU CA C 13 58.53 0.10 . 1 . . . . 15 LEU CA . 25029 1 64 . 1 1 15 15 LEU CB C 13 41.10 0.10 . 1 . . . . 15 LEU CB . 25029 1 65 . 1 1 15 15 LEU N N 15 120.90 0.15 . 1 . . . . 15 LEU N . 25029 1 66 . 1 1 16 16 ARG H H 1 7.34 0.02 . 1 . . . . 16 ARG H . 25029 1 67 . 1 1 16 16 ARG C C 13 178.30 0.10 . 1 . . . . 16 ARG C . 25029 1 68 . 1 1 16 16 ARG CA C 13 59.26 0.10 . 1 . . . . 16 ARG CA . 25029 1 69 . 1 1 16 16 ARG CB C 13 31.45 0.10 . 1 . . . . 16 ARG CB . 25029 1 70 . 1 1 16 16 ARG N N 15 118.20 0.15 . 1 . . . . 16 ARG N . 25029 1 71 . 1 1 17 17 ALA H H 1 8.90 0.02 . 1 . . . . 17 ALA H . 25029 1 72 . 1 1 17 17 ALA C C 13 179.20 0.10 . 1 . . . . 17 ALA C . 25029 1 73 . 1 1 17 17 ALA CA C 13 55.24 0.10 . 1 . . . . 17 ALA CA . 25029 1 74 . 1 1 17 17 ALA CB C 13 17.21 0.10 . 1 . . . . 17 ALA CB . 25029 1 75 . 1 1 17 17 ALA N N 15 121.90 0.15 . 1 . . . . 17 ALA N . 25029 1 76 . 1 1 18 18 HIS H H 1 8.99 0.02 . 1 . . . . 18 HIS H . 25029 1 77 . 1 1 18 18 HIS C C 13 177.20 0.10 . 1 . . . . 18 HIS C . 25029 1 78 . 1 1 18 18 HIS CA C 13 59.35 0.10 . 1 . . . . 18 HIS CA . 25029 1 79 . 1 1 18 18 HIS N N 15 116.50 0.15 . 1 . . . . 18 HIS N . 25029 1 80 . 1 1 19 19 ARG H H 1 7.87 0.02 . 1 . . . . 19 ARG H . 25029 1 81 . 1 1 19 19 ARG C C 13 178.70 0.10 . 1 . . . . 19 ARG C . 25029 1 82 . 1 1 19 19 ARG CA C 13 59.06 0.10 . 1 . . . . 19 ARG CA . 25029 1 83 . 1 1 19 19 ARG CB C 13 28.82 0.10 . 1 . . . . 19 ARG CB . 25029 1 84 . 1 1 19 19 ARG N N 15 118.90 0.15 . 1 . . . . 19 ARG N . 25029 1 85 . 1 1 20 20 LEU H H 1 8.05 0.02 . 1 . . . . 20 LEU H . 25029 1 86 . 1 1 20 20 LEU C C 13 178.00 0.10 . 1 . . . . 20 LEU C . 25029 1 87 . 1 1 20 20 LEU CA C 13 58.27 0.10 . 1 . . . . 20 LEU CA . 25029 1 88 . 1 1 20 20 LEU CB C 13 41.62 0.10 . 1 . . . . 20 LEU CB . 25029 1 89 . 1 1 20 20 LEU N N 15 119.60 0.15 . 1 . . . . 20 LEU N . 25029 1 90 . 1 1 21 21 HIS H H 1 8.15 0.02 . 1 . . . . 21 HIS H . 25029 1 91 . 1 1 21 21 HIS C C 13 176.20 0.10 . 1 . . . . 21 HIS C . 25029 1 92 . 1 1 21 21 HIS CA C 13 58.51 0.10 . 1 . . . . 21 HIS CA . 25029 1 93 . 1 1 21 21 HIS CB C 13 27.65 0.10 . 1 . . . . 21 HIS CB . 25029 1 94 . 1 1 21 21 HIS N N 15 117.10 0.15 . 1 . . . . 21 HIS N . 25029 1 95 . 1 1 22 22 GLN H H 1 8.35 0.02 . 1 . . . . 22 GLN H . 25029 1 96 . 1 1 22 22 GLN C C 13 177.40 0.10 . 1 . . . . 22 GLN C . 25029 1 97 . 1 1 22 22 GLN CA C 13 58.96 0.10 . 1 . . . . 22 GLN CA . 25029 1 98 . 1 1 22 22 GLN CB C 13 27.62 0.10 . 1 . . . . 22 GLN CB . 25029 1 99 . 1 1 22 22 GLN N N 15 119.40 0.15 . 1 . . . . 22 GLN N . 25029 1 100 . 1 1 23 23 LEU H H 1 8.34 0.02 . 1 . . . . 23 LEU H . 25029 1 101 . 1 1 23 23 LEU C C 13 180.50 0.10 . 1 . . . . 23 LEU C . 25029 1 102 . 1 1 23 23 LEU CA C 13 54.97 0.10 . 1 . . . . 23 LEU CA . 25029 1 103 . 1 1 23 23 LEU CB C 13 47.36 0.10 . 1 . . . . 23 LEU CB . 25029 1 104 . 1 1 23 23 LEU N N 15 119.10 0.15 . 1 . . . . 23 LEU N . 25029 1 105 . 1 1 24 24 ALA H H 1 8.45 0.02 . 1 . . . . 24 ALA H . 25029 1 106 . 1 1 24 24 ALA C C 13 179.20 0.10 . 1 . . . . 24 ALA C . 25029 1 107 . 1 1 24 24 ALA CA C 13 55.69 0.10 . 1 . . . . 24 ALA CA . 25029 1 108 . 1 1 24 24 ALA CB C 13 18.84 0.10 . 1 . . . . 24 ALA CB . 25029 1 109 . 1 1 24 24 ALA N N 15 123.90 0.15 . 1 . . . . 24 ALA N . 25029 1 110 . 1 1 25 25 PHE H H 1 8.91 0.02 . 1 . . . . 25 PHE H . 25029 1 111 . 1 1 25 25 PHE C C 13 177.80 0.10 . 1 . . . . 25 PHE C . 25029 1 112 . 1 1 25 25 PHE CA C 13 61.91 0.10 . 1 . . . . 25 PHE CA . 25029 1 113 . 1 1 25 25 PHE CB C 13 38.76 0.10 . 1 . . . . 25 PHE CB . 25029 1 114 . 1 1 25 25 PHE N N 15 119.00 0.15 . 1 . . . . 25 PHE N . 25029 1 115 . 1 1 26 26 ASP H H 1 9.31 0.02 . 1 . . . . 26 ASP H . 25029 1 116 . 1 1 26 26 ASP C C 13 180.10 0.10 . 1 . . . . 26 ASP C . 25029 1 117 . 1 1 26 26 ASP CA C 13 57.74 0.10 . 1 . . . . 26 ASP CA . 25029 1 118 . 1 1 26 26 ASP CB C 13 39.92 0.10 . 1 . . . . 26 ASP CB . 25029 1 119 . 1 1 26 26 ASP N N 15 120.40 0.15 . 1 . . . . 26 ASP N . 25029 1 120 . 1 1 27 27 THR H H 1 8.64 0.02 . 1 . . . . 27 THR H . 25029 1 121 . 1 1 27 27 THR C C 13 176.90 0.10 . 1 . . . . 27 THR C . 25029 1 122 . 1 1 27 27 THR CA C 13 67.45 0.10 . 1 . . . . 27 THR CA . 25029 1 123 . 1 1 27 27 THR N N 15 116.50 0.15 . 1 . . . . 27 THR N . 25029 1 124 . 1 1 28 28 TYR H H 1 8.20 0.02 . 1 . . . . 28 TYR H . 25029 1 125 . 1 1 28 28 TYR C C 13 175.90 0.10 . 1 . . . . 28 TYR C . 25029 1 126 . 1 1 28 28 TYR CA C 13 62.80 0.10 . 1 . . . . 28 TYR CA . 25029 1 127 . 1 1 28 28 TYR CB C 13 37.41 0.10 . 1 . . . . 28 TYR CB . 25029 1 128 . 1 1 28 28 TYR N N 15 123.30 0.15 . 1 . . . . 28 TYR N . 25029 1 129 . 1 1 29 29 GLN H H 1 8.15 0.02 . 1 . . . . 29 GLN H . 25029 1 130 . 1 1 29 29 GLN C C 13 178.00 0.10 . 1 . . . . 29 GLN C . 25029 1 131 . 1 1 29 29 GLN CA C 13 58.93 0.10 . 1 . . . . 29 GLN CA . 25029 1 132 . 1 1 29 29 GLN CB C 13 28.22 0.10 . 1 . . . . 29 GLN CB . 25029 1 133 . 1 1 29 29 GLN N N 15 117.50 0.15 . 1 . . . . 29 GLN N . 25029 1 134 . 1 1 30 30 GLU H H 1 7.86 0.02 . 1 . . . . 30 GLU H . 25029 1 135 . 1 1 30 30 GLU C C 13 178.20 0.10 . 1 . . . . 30 GLU C . 25029 1 136 . 1 1 30 30 GLU CA C 13 58.98 0.10 . 1 . . . . 30 GLU CA . 25029 1 137 . 1 1 30 30 GLU N N 15 119.10 0.15 . 1 . . . . 30 GLU N . 25029 1 138 . 1 1 31 31 PHE H H 1 8.50 0.02 . 1 . . . . 31 PHE H . 25029 1 139 . 1 1 31 31 PHE C C 13 177.00 0.10 . 1 . . . . 31 PHE C . 25029 1 140 . 1 1 31 31 PHE CA C 13 61.10 0.10 . 1 . . . . 31 PHE CA . 25029 1 141 . 1 1 31 31 PHE CB C 13 35.22 0.10 . 1 . . . . 31 PHE CB . 25029 1 142 . 1 1 31 31 PHE N N 15 121.60 0.15 . 1 . . . . 31 PHE N . 25029 1 143 . 1 1 32 32 GLU H H 1 8.77 0.02 . 1 . . . . 32 GLU H . 25029 1 144 . 1 1 32 32 GLU C C 13 178.10 0.10 . 1 . . . . 32 GLU C . 25029 1 145 . 1 1 32 32 GLU CA C 13 59.51 0.10 . 1 . . . . 32 GLU CA . 25029 1 146 . 1 1 32 32 GLU CB C 13 30.33 0.10 . 1 . . . . 32 GLU CB . 25029 1 147 . 1 1 32 32 GLU N N 15 118.80 0.15 . 1 . . . . 32 GLU N . 25029 1 148 . 1 1 33 33 GLU H H 1 7.86 0.02 . 1 . . . . 33 GLU H . 25029 1 149 . 1 1 33 33 GLU C C 13 178.70 0.10 . 1 . . . . 33 GLU C . 25029 1 150 . 1 1 33 33 GLU CA C 13 58.44 0.10 . 1 . . . . 33 GLU CA . 25029 1 151 . 1 1 33 33 GLU CB C 13 29.42 0.10 . 1 . . . . 33 GLU CB . 25029 1 152 . 1 1 33 33 GLU N N 15 115.30 0.15 . 1 . . . . 33 GLU N . 25029 1 153 . 1 1 34 34 ALA H H 1 7.58 0.02 . 1 . . . . 34 ALA H . 25029 1 154 . 1 1 34 34 ALA C C 13 180.20 0.10 . 1 . . . . 34 ALA C . 25029 1 155 . 1 1 34 34 ALA CA C 13 54.28 0.10 . 1 . . . . 34 ALA CA . 25029 1 156 . 1 1 34 34 ALA CB C 13 21.24 0.10 . 1 . . . . 34 ALA CB . 25029 1 157 . 1 1 34 34 ALA N N 15 118.60 0.15 . 1 . . . . 34 ALA N . 25029 1 158 . 1 1 35 35 TYR H H 1 7.59 0.02 . 1 . . . . 35 TYR H . 25029 1 159 . 1 1 35 35 TYR C C 13 175.10 0.10 . 1 . . . . 35 TYR C . 25029 1 160 . 1 1 35 35 TYR CA C 13 58.13 0.10 . 1 . . . . 35 TYR CA . 25029 1 161 . 1 1 35 35 TYR CB C 13 39.96 0.10 . 1 . . . . 35 TYR CB . 25029 1 162 . 1 1 35 35 TYR N N 15 110.90 0.15 . 1 . . . . 35 TYR N . 25029 1 163 . 1 1 36 36 ILE H H 1 7.31 0.02 . 1 . . . . 36 ILE H . 25029 1 164 . 1 1 36 36 ILE C C 13 173.80 0.10 . 1 . . . . 36 ILE C . 25029 1 165 . 1 1 36 36 ILE CA C 13 54.99 0.10 . 1 . . . . 36 ILE CA . 25029 1 166 . 1 1 36 36 ILE CB C 13 35.25 0.10 . 1 . . . . 36 ILE CB . 25029 1 167 . 1 1 36 36 ILE N N 15 119.60 0.15 . 1 . . . . 36 ILE N . 25029 1 168 . 1 1 37 37 PRO C C 13 177.80 0.10 . 1 . . . . 37 PRO C . 25029 1 169 . 1 1 37 37 PRO CA C 13 62.73 0.10 . 1 . . . . 37 PRO CA . 25029 1 170 . 1 1 37 37 PRO CB C 13 29.38 0.10 . 1 . . . . 37 PRO CB . 25029 1 171 . 1 1 38 38 LYS H H 1 8.64 0.02 . 1 . . . . 38 LYS H . 25029 1 172 . 1 1 38 38 LYS C C 13 178.10 0.10 . 1 . . . . 38 LYS C . 25029 1 173 . 1 1 38 38 LYS CA C 13 60.41 0.10 . 1 . . . . 38 LYS CA . 25029 1 174 . 1 1 38 38 LYS CB C 13 31.76 0.10 . 1 . . . . 38 LYS CB . 25029 1 175 . 1 1 38 38 LYS N N 15 122.00 0.15 . 1 . . . . 38 LYS N . 25029 1 176 . 1 1 39 39 GLU H H 1 9.13 0.02 . 1 . . . . 39 GLU H . 25029 1 177 . 1 1 39 39 GLU C C 13 177.10 0.10 . 1 . . . . 39 GLU C . 25029 1 178 . 1 1 39 39 GLU CA C 13 59.15 0.10 . 1 . . . . 39 GLU CA . 25029 1 179 . 1 1 39 39 GLU CB C 13 27.64 0.10 . 1 . . . . 39 GLU CB . 25029 1 180 . 1 1 39 39 GLU N N 15 115.30 0.15 . 1 . . . . 39 GLU N . 25029 1 181 . 1 1 40 40 GLN H H 1 7.85 0.02 . 1 . . . . 40 GLN H . 25029 1 182 . 1 1 40 40 GLN C C 13 175.70 0.10 . 1 . . . . 40 GLN C . 25029 1 183 . 1 1 40 40 GLN CA C 13 55.35 0.10 . 1 . . . . 40 GLN CA . 25029 1 184 . 1 1 40 40 GLN N N 15 117.10 0.15 . 1 . . . . 40 GLN N . 25029 1 185 . 1 1 41 41 LYS C C 13 175.70 0.10 . 1 . . . . 41 LYS C . 25029 1 186 . 1 1 41 41 LYS CA C 13 58.48 0.10 . 1 . . . . 41 LYS CA . 25029 1 187 . 1 1 41 41 LYS CB C 13 32.46 0.10 . 1 . . . . 41 LYS CB . 25029 1 188 . 1 1 42 42 TYR H H 1 8.16 0.02 . 1 . . . . 42 TYR H . 25029 1 189 . 1 1 42 42 TYR C C 13 173.90 0.10 . 1 . . . . 42 TYR C . 25029 1 190 . 1 1 42 42 TYR CA C 13 55.56 0.10 . 1 . . . . 42 TYR CA . 25029 1 191 . 1 1 42 42 TYR CB C 13 38.74 0.10 . 1 . . . . 42 TYR CB . 25029 1 192 . 1 1 42 42 TYR N N 15 120.60 0.15 . 1 . . . . 42 TYR N . 25029 1 193 . 1 1 48 48 PRO C C 13 177.30 0.10 . 1 . . . . 48 PRO C . 25029 1 194 . 1 1 48 48 PRO CA C 13 63.99 0.10 . 1 . . . . 48 PRO CA . 25029 1 195 . 1 1 49 49 GLN H H 1 8.34 0.02 . 1 . . . . 49 GLN H . 25029 1 196 . 1 1 49 49 GLN C C 13 176.60 0.10 . 1 . . . . 49 GLN C . 25029 1 197 . 1 1 49 49 GLN CA C 13 58.01 0.10 . 1 . . . . 49 GLN CA . 25029 1 198 . 1 1 49 49 GLN CB C 13 31.65 0.10 . 1 . . . . 49 GLN CB . 25029 1 199 . 1 1 49 49 GLN N N 15 118.30 0.15 . 1 . . . . 49 GLN N . 25029 1 200 . 1 1 50 50 THR H H 1 7.86 0.02 . 1 . . . . 50 THR H . 25029 1 201 . 1 1 50 50 THR C C 13 174.60 0.10 . 1 . . . . 50 THR C . 25029 1 202 . 1 1 50 50 THR CA C 13 62.42 0.10 . 1 . . . . 50 THR CA . 25029 1 203 . 1 1 50 50 THR CB C 13 69.10 0.10 . 1 . . . . 50 THR CB . 25029 1 204 . 1 1 50 50 THR N N 15 112.70 0.15 . 1 . . . . 50 THR N . 25029 1 205 . 1 1 51 51 SER H H 1 8.17 0.02 . 1 . . . . 51 SER H . 25029 1 206 . 1 1 51 51 SER C C 13 173.90 0.10 . 1 . . . . 51 SER C . 25029 1 207 . 1 1 51 51 SER CA C 13 58.48 0.10 . 1 . . . . 51 SER CA . 25029 1 208 . 1 1 51 51 SER CB C 13 64.15 0.10 . 1 . . . . 51 SER CB . 25029 1 209 . 1 1 51 51 SER N N 15 116.70 0.15 . 1 . . . . 51 SER N . 25029 1 210 . 1 1 52 52 LEU H H 1 7.98 0.02 . 1 . . . . 52 LEU H . 25029 1 211 . 1 1 52 52 LEU C C 13 177.40 0.10 . 1 . . . . 52 LEU C . 25029 1 212 . 1 1 52 52 LEU CA C 13 55.82 0.10 . 1 . . . . 52 LEU CA . 25029 1 213 . 1 1 52 52 LEU CB C 13 42.66 0.10 . 1 . . . . 52 LEU CB . 25029 1 214 . 1 1 52 52 LEU N N 15 123.40 0.15 . 1 . . . . 52 LEU N . 25029 1 215 . 1 1 53 53 CYS H H 1 8.52 0.02 . 1 . . . . 53 CYS H . 25029 1 216 . 1 1 53 53 CYS C C 13 176.90 0.10 . 1 . . . . 53 CYS C . 25029 1 217 . 1 1 53 53 CYS CA C 13 53.58 0.10 . 1 . . . . 53 CYS CA . 25029 1 218 . 1 1 53 53 CYS N N 15 118.80 0.15 . 1 . . . . 53 CYS N . 25029 1 219 . 1 1 55 55 SER C C 13 176.20 0.10 . 1 . . . . 55 SER C . 25029 1 220 . 1 1 55 55 SER CA C 13 59.24 0.10 . 1 . . . . 55 SER CA . 25029 1 221 . 1 1 56 56 GLU H H 1 7.81 0.02 . 1 . . . . 56 GLU H . 25029 1 222 . 1 1 56 56 GLU C C 13 176.40 0.10 . 1 . . . . 56 GLU C . 25029 1 223 . 1 1 56 56 GLU CA C 13 58.48 0.10 . 1 . . . . 56 GLU CA . 25029 1 224 . 1 1 56 56 GLU CB C 13 28.71 0.10 . 1 . . . . 56 GLU CB . 25029 1 225 . 1 1 56 56 GLU N N 15 122.40 0.15 . 1 . . . . 56 GLU N . 25029 1 226 . 1 1 57 57 SER H H 1 7.41 0.02 . 1 . . . . 57 SER H . 25029 1 227 . 1 1 57 57 SER C C 13 174.40 0.10 . 1 . . . . 57 SER C . 25029 1 228 . 1 1 57 57 SER CA C 13 59.59 0.10 . 1 . . . . 57 SER CA . 25029 1 229 . 1 1 57 57 SER CB C 13 63.61 0.10 . 1 . . . . 57 SER CB . 25029 1 230 . 1 1 57 57 SER N N 15 111.30 0.15 . 1 . . . . 57 SER N . 25029 1 231 . 1 1 58 58 ILE H H 1 7.79 0.02 . 1 . . . . 58 ILE H . 25029 1 232 . 1 1 58 58 ILE C C 13 173.50 0.10 . 1 . . . . 58 ILE C . 25029 1 233 . 1 1 58 58 ILE CA C 13 58.94 0.10 . 1 . . . . 58 ILE CA . 25029 1 234 . 1 1 58 58 ILE CB C 13 37.59 0.10 . 1 . . . . 58 ILE CB . 25029 1 235 . 1 1 58 58 ILE N N 15 125.50 0.15 . 1 . . . . 58 ILE N . 25029 1 236 . 1 1 59 59 PRO C C 13 174.40 0.10 . 1 . . . . 59 PRO C . 25029 1 237 . 1 1 59 59 PRO CA C 13 63.02 0.10 . 1 . . . . 59 PRO CA . 25029 1 238 . 1 1 59 59 PRO CB C 13 29.96 0.10 . 1 . . . . 59 PRO CB . 25029 1 239 . 1 1 60 60 THR H H 1 8.17 0.02 . 1 . . . . 60 THR H . 25029 1 240 . 1 1 60 60 THR C C 13 176.30 0.10 . 1 . . . . 60 THR C . 25029 1 241 . 1 1 60 60 THR CA C 13 58.48 0.10 . 1 . . . . 60 THR CA . 25029 1 242 . 1 1 60 60 THR CB C 13 70.03 0.10 . 1 . . . . 60 THR CB . 25029 1 243 . 1 1 60 60 THR N N 15 115.50 0.15 . 1 . . . . 60 THR N . 25029 1 244 . 1 1 61 61 PRO C C 13 177.30 0.10 . 1 . . . . 61 PRO C . 25029 1 245 . 1 1 61 61 PRO CA C 13 62.75 0.10 . 1 . . . . 61 PRO CA . 25029 1 246 . 1 1 61 61 PRO CB C 13 31.76 0.10 . 1 . . . . 61 PRO CB . 25029 1 247 . 1 1 62 62 SER H H 1 9.03 0.02 . 1 . . . . 62 SER H . 25029 1 248 . 1 1 62 62 SER C C 13 173.70 0.10 . 1 . . . . 62 SER C . 25029 1 249 . 1 1 62 62 SER CA C 13 59.62 0.10 . 1 . . . . 62 SER CA . 25029 1 250 . 1 1 62 62 SER CB C 13 63.98 0.10 . 1 . . . . 62 SER CB . 25029 1 251 . 1 1 62 62 SER N N 15 116.90 0.15 . 1 . . . . 62 SER N . 25029 1 252 . 1 1 63 63 ASN H H 1 7.46 0.02 . 1 . . . . 63 ASN H . 25029 1 253 . 1 1 63 63 ASN C C 13 176.10 0.10 . 1 . . . . 63 ASN C . 25029 1 254 . 1 1 63 63 ASN CA C 13 51.94 0.10 . 1 . . . . 63 ASN CA . 25029 1 255 . 1 1 63 63 ASN CB C 13 39.80 0.10 . 1 . . . . 63 ASN CB . 25029 1 256 . 1 1 63 63 ASN N N 15 115.30 0.15 . 1 . . . . 63 ASN N . 25029 1 257 . 1 1 65 65 GLU H H 1 8.64 0.02 . 1 . . . . 65 GLU H . 25029 1 258 . 1 1 65 65 GLU C C 13 179.40 0.10 . 1 . . . . 65 GLU C . 25029 1 259 . 1 1 65 65 GLU CA C 13 60.33 0.10 . 1 . . . . 65 GLU CA . 25029 1 260 . 1 1 65 65 GLU CB C 13 28.02 0.10 . 1 . . . . 65 GLU CB . 25029 1 261 . 1 1 65 65 GLU N N 15 121.80 0.15 . 1 . . . . 65 GLU N . 25029 1 262 . 1 1 66 66 GLU H H 1 8.57 0.02 . 1 . . . . 66 GLU H . 25029 1 263 . 1 1 66 66 GLU C C 13 179.70 0.10 . 1 . . . . 66 GLU C . 25029 1 264 . 1 1 66 66 GLU CA C 13 58.76 0.10 . 1 . . . . 66 GLU CA . 25029 1 265 . 1 1 66 66 GLU CB C 13 29.99 0.10 . 1 . . . . 66 GLU CB . 25029 1 266 . 1 1 66 66 GLU N N 15 118.10 0.15 . 1 . . . . 66 GLU N . 25029 1 267 . 1 1 67 67 THR H H 1 8.04 0.02 . 1 . . . . 67 THR H . 25029 1 268 . 1 1 67 67 THR C C 13 177.80 0.10 . 1 . . . . 67 THR C . 25029 1 269 . 1 1 67 67 THR CA C 13 67.26 0.10 . 1 . . . . 67 THR CA . 25029 1 270 . 1 1 67 67 THR CB C 13 67.80 0.10 . 1 . . . . 67 THR CB . 25029 1 271 . 1 1 67 67 THR N N 15 115.30 0.15 . 1 . . . . 67 THR N . 25029 1 272 . 1 1 68 68 GLN H H 1 7.87 0.02 . 1 . . . . 68 GLN H . 25029 1 273 . 1 1 68 68 GLN C C 13 176.70 0.10 . 1 . . . . 68 GLN C . 25029 1 274 . 1 1 68 68 GLN CA C 13 57.75 0.10 . 1 . . . . 68 GLN CA . 25029 1 275 . 1 1 68 68 GLN CB C 13 28.41 0.10 . 1 . . . . 68 GLN CB . 25029 1 276 . 1 1 68 68 GLN N N 15 117.80 0.15 . 1 . . . . 68 GLN N . 25029 1 277 . 1 1 69 69 GLN H H 1 7.18 0.02 . 1 . . . . 69 GLN H . 25029 1 278 . 1 1 69 69 GLN C C 13 176.60 0.10 . 1 . . . . 69 GLN C . 25029 1 279 . 1 1 69 69 GLN CA C 13 56.03 0.10 . 1 . . . . 69 GLN CA . 25029 1 280 . 1 1 69 69 GLN CB C 13 28.23 0.10 . 1 . . . . 69 GLN CB . 25029 1 281 . 1 1 69 69 GLN N N 15 114.10 0.15 . 1 . . . . 69 GLN N . 25029 1 282 . 1 1 70 70 LYS H H 1 7.50 0.02 . 1 . . . . 70 LYS H . 25029 1 283 . 1 1 70 70 LYS C C 13 176.60 0.10 . 1 . . . . 70 LYS C . 25029 1 284 . 1 1 70 70 LYS CA C 13 53.73 0.10 . 1 . . . . 70 LYS CA . 25029 1 285 . 1 1 70 70 LYS CB C 13 33.02 0.10 . 1 . . . . 70 LYS CB . 25029 1 286 . 1 1 70 70 LYS N N 15 118.10 0.15 . 1 . . . . 70 LYS N . 25029 1 287 . 1 1 71 71 SER H H 1 9.45 0.02 . 1 . . . . 71 SER H . 25029 1 288 . 1 1 71 71 SER C C 13 174.50 0.10 . 1 . . . . 71 SER C . 25029 1 289 . 1 1 71 71 SER CA C 13 57.24 0.10 . 1 . . . . 71 SER CA . 25029 1 290 . 1 1 71 71 SER CB C 13 65.13 0.10 . 1 . . . . 71 SER CB . 25029 1 291 . 1 1 71 71 SER N N 15 120.10 0.15 . 1 . . . . 71 SER N . 25029 1 292 . 1 1 72 72 ASN H H 1 9.17 0.02 . 1 . . . . 72 ASN H . 25029 1 293 . 1 1 72 72 ASN C C 13 177.50 0.10 . 1 . . . . 72 ASN C . 25029 1 294 . 1 1 72 72 ASN CA C 13 56.11 0.10 . 1 . . . . 72 ASN CA . 25029 1 295 . 1 1 72 72 ASN N N 15 119.30 0.15 . 1 . . . . 72 ASN N . 25029 1 296 . 1 1 73 73 LEU H H 1 8.60 0.02 . 1 . . . . 73 LEU H . 25029 1 297 . 1 1 73 73 LEU C C 13 179.10 0.10 . 1 . . . . 73 LEU C . 25029 1 298 . 1 1 73 73 LEU CA C 13 58.10 0.10 . 1 . . . . 73 LEU CA . 25029 1 299 . 1 1 73 73 LEU CB C 13 40.95 0.10 . 1 . . . . 73 LEU CB . 25029 1 300 . 1 1 73 73 LEU N N 15 118.50 0.15 . 1 . . . . 73 LEU N . 25029 1 301 . 1 1 74 74 GLU H H 1 7.95 0.02 . 1 . . . . 74 GLU H . 25029 1 302 . 1 1 74 74 GLU C C 13 178.60 0.10 . 1 . . . . 74 GLU C . 25029 1 303 . 1 1 74 74 GLU CA C 13 59.70 0.10 . 1 . . . . 74 GLU CA . 25029 1 304 . 1 1 74 74 GLU CB C 13 28.95 0.10 . 1 . . . . 74 GLU CB . 25029 1 305 . 1 1 74 74 GLU N N 15 118.90 0.15 . 1 . . . . 74 GLU N . 25029 1 306 . 1 1 75 75 LEU H H 1 8.08 0.02 . 1 . . . . 75 LEU H . 25029 1 307 . 1 1 75 75 LEU C C 13 180.90 0.10 . 1 . . . . 75 LEU C . 25029 1 308 . 1 1 75 75 LEU CA C 13 57.77 0.10 . 1 . . . . 75 LEU CA . 25029 1 309 . 1 1 75 75 LEU CB C 13 40.58 0.10 . 1 . . . . 75 LEU CB . 25029 1 310 . 1 1 75 75 LEU N N 15 116.90 0.15 . 1 . . . . 75 LEU N . 25029 1 311 . 1 1 76 76 LEU H H 1 8.43 0.02 . 1 . . . . 76 LEU H . 25029 1 312 . 1 1 76 76 LEU C C 13 177.40 0.10 . 1 . . . . 76 LEU C . 25029 1 313 . 1 1 76 76 LEU CA C 13 58.12 0.10 . 1 . . . . 76 LEU CA . 25029 1 314 . 1 1 76 76 LEU CB C 13 41.71 0.10 . 1 . . . . 76 LEU CB . 25029 1 315 . 1 1 76 76 LEU N N 15 120.10 0.15 . 1 . . . . 76 LEU N . 25029 1 316 . 1 1 77 77 ARG H H 1 8.51 0.02 . 1 . . . . 77 ARG H . 25029 1 317 . 1 1 77 77 ARG C C 13 178.20 0.10 . 1 . . . . 77 ARG C . 25029 1 318 . 1 1 77 77 ARG CA C 13 59.43 0.10 . 1 . . . . 77 ARG CA . 25029 1 319 . 1 1 77 77 ARG N N 15 120.60 0.15 . 1 . . . . 77 ARG N . 25029 1 320 . 1 1 78 78 ILE H H 1 8.35 0.02 . 1 . . . . 78 ILE H . 25029 1 321 . 1 1 78 78 ILE C C 13 177.40 0.10 . 1 . . . . 78 ILE C . 25029 1 322 . 1 1 78 78 ILE CA C 13 62.87 0.10 . 1 . . . . 78 ILE CA . 25029 1 323 . 1 1 78 78 ILE N N 15 118.30 0.15 . 1 . . . . 78 ILE N . 25029 1 324 . 1 1 79 79 SER H H 1 7.70 0.02 . 1 . . . . 79 SER H . 25029 1 325 . 1 1 79 79 SER C C 13 174.70 0.10 . 1 . . . . 79 SER C . 25029 1 326 . 1 1 79 79 SER CA C 13 64.26 0.10 . 1 . . . . 79 SER CA . 25029 1 327 . 1 1 79 79 SER N N 15 114.90 0.15 . 1 . . . . 79 SER N . 25029 1 328 . 1 1 80 80 LEU H H 1 8.71 0.02 . 1 . . . . 80 LEU H . 25029 1 329 . 1 1 80 80 LEU C C 13 178.00 0.10 . 1 . . . . 80 LEU C . 25029 1 330 . 1 1 80 80 LEU CA C 13 58.04 0.10 . 1 . . . . 80 LEU CA . 25029 1 331 . 1 1 80 80 LEU N N 15 121.60 0.15 . 1 . . . . 80 LEU N . 25029 1 332 . 1 1 81 81 LEU H H 1 8.31 0.02 . 1 . . . . 81 LEU H . 25029 1 333 . 1 1 81 81 LEU C C 13 181.20 0.10 . 1 . . . . 81 LEU C . 25029 1 334 . 1 1 81 81 LEU CA C 13 58.02 0.10 . 1 . . . . 81 LEU CA . 25029 1 335 . 1 1 81 81 LEU CB C 13 42.27 0.10 . 1 . . . . 81 LEU CB . 25029 1 336 . 1 1 81 81 LEU N N 15 117.80 0.15 . 1 . . . . 81 LEU N . 25029 1 337 . 1 1 82 82 LEU H H 1 8.46 0.02 . 1 . . . . 82 LEU H . 25029 1 338 . 1 1 82 82 LEU C C 13 178.60 0.10 . 1 . . . . 82 LEU C . 25029 1 339 . 1 1 82 82 LEU CA C 13 58.67 0.10 . 1 . . . . 82 LEU CA . 25029 1 340 . 1 1 82 82 LEU CB C 13 41.19 0.10 . 1 . . . . 82 LEU CB . 25029 1 341 . 1 1 82 82 LEU N N 15 122.30 0.15 . 1 . . . . 82 LEU N . 25029 1 342 . 1 1 83 83 ILE H H 1 7.90 0.02 . 1 . . . . 83 ILE H . 25029 1 343 . 1 1 83 83 ILE C C 13 178.80 0.10 . 1 . . . . 83 ILE C . 25029 1 344 . 1 1 83 83 ILE CA C 13 63.21 0.10 . 1 . . . . 83 ILE CA . 25029 1 345 . 1 1 83 83 ILE CB C 13 35.26 0.10 . 1 . . . . 83 ILE CB . 25029 1 346 . 1 1 83 83 ILE N N 15 117.90 0.15 . 1 . . . . 83 ILE N . 25029 1 347 . 1 1 84 84 GLN H H 1 9.07 0.02 . 1 . . . . 84 GLN H . 25029 1 348 . 1 1 84 84 GLN C C 13 179.60 0.10 . 1 . . . . 84 GLN C . 25029 1 349 . 1 1 84 84 GLN CA C 13 59.08 0.10 . 1 . . . . 84 GLN CA . 25029 1 350 . 1 1 84 84 GLN CB C 13 27.08 0.10 . 1 . . . . 84 GLN CB . 25029 1 351 . 1 1 84 84 GLN N N 15 116.10 0.15 . 1 . . . . 84 GLN N . 25029 1 352 . 1 1 85 85 SER H H 1 8.19 0.02 . 1 . . . . 85 SER H . 25029 1 353 . 1 1 85 85 SER C C 13 176.20 0.10 . 1 . . . . 85 SER C . 25029 1 354 . 1 1 85 85 SER CA C 13 61.25 0.10 . 1 . . . . 85 SER CA . 25029 1 355 . 1 1 85 85 SER CB C 13 67.30 0.10 . 1 . . . . 85 SER CB . 25029 1 356 . 1 1 85 85 SER N N 15 114.30 0.15 . 1 . . . . 85 SER N . 25029 1 357 . 1 1 86 86 TRP H H 1 7.65 0.02 . 1 . . . . 86 TRP H . 25029 1 358 . 1 1 86 86 TRP C C 13 176.40 0.10 . 1 . . . . 86 TRP C . 25029 1 359 . 1 1 86 86 TRP CA C 13 57.25 0.10 . 1 . . . . 86 TRP CA . 25029 1 360 . 1 1 86 86 TRP CB C 13 31.48 0.10 . 1 . . . . 86 TRP CB . 25029 1 361 . 1 1 86 86 TRP N N 15 118.50 0.15 . 1 . . . . 86 TRP N . 25029 1 362 . 1 1 87 87 LEU H H 1 7.24 0.02 . 1 . . . . 87 LEU H . 25029 1 363 . 1 1 87 87 LEU C C 13 177.40 0.10 . 1 . . . . 87 LEU C . 25029 1 364 . 1 1 87 87 LEU CA C 13 59.51 0.10 . 1 . . . . 87 LEU CA . 25029 1 365 . 1 1 87 87 LEU CB C 13 40.02 0.10 . 1 . . . . 87 LEU CB . 25029 1 366 . 1 1 87 87 LEU N N 15 120.20 0.15 . 1 . . . . 87 LEU N . 25029 1 367 . 1 1 88 88 GLU H H 1 8.52 0.02 . 1 . . . . 88 GLU H . 25029 1 368 . 1 1 88 88 GLU C C 13 176.90 0.10 . 1 . . . . 88 GLU C . 25029 1 369 . 1 1 88 88 GLU CA C 13 59.52 0.10 . 1 . . . . 88 GLU CA . 25029 1 370 . 1 1 88 88 GLU CB C 13 26.94 0.10 . 1 . . . . 88 GLU CB . 25029 1 371 . 1 1 88 88 GLU N N 15 113.30 0.15 . 1 . . . . 88 GLU N . 25029 1 372 . 1 1 89 89 PRO C C 13 178.00 0.10 . 1 . . . . 89 PRO C . 25029 1 373 . 1 1 90 90 VAL H H 1 8.31 0.02 . 1 . . . . 90 VAL H . 25029 1 374 . 1 1 90 90 VAL C C 13 178.30 0.10 . 1 . . . . 90 VAL C . 25029 1 375 . 1 1 90 90 VAL CA C 13 65.72 0.10 . 1 . . . . 90 VAL CA . 25029 1 376 . 1 1 90 90 VAL N N 15 113.90 0.15 . 1 . . . . 90 VAL N . 25029 1 377 . 1 1 91 91 GLN H H 1 7.71 0.02 . 1 . . . . 91 GLN H . 25029 1 378 . 1 1 91 91 GLN C C 13 179.20 0.10 . 1 . . . . 91 GLN C . 25029 1 379 . 1 1 91 91 GLN CA C 13 57.76 0.10 . 1 . . . . 91 GLN CA . 25029 1 380 . 1 1 91 91 GLN CB C 13 27.05 0.10 . 1 . . . . 91 GLN CB . 25029 1 381 . 1 1 91 91 GLN N N 15 119.90 0.15 . 1 . . . . 91 GLN N . 25029 1 382 . 1 1 92 92 PHE H H 1 7.77 0.02 . 1 . . . . 92 PHE H . 25029 1 383 . 1 1 92 92 PHE C C 13 177.10 0.10 . 1 . . . . 92 PHE C . 25029 1 384 . 1 1 92 92 PHE CA C 13 59.43 0.10 . 1 . . . . 92 PHE CA . 25029 1 385 . 1 1 92 92 PHE CB C 13 37.49 0.10 . 1 . . . . 92 PHE CB . 25029 1 386 . 1 1 92 92 PHE N N 15 119.30 0.15 . 1 . . . . 92 PHE N . 25029 1 387 . 1 1 93 93 LEU H H 1 7.57 0.02 . 1 . . . . 93 LEU H . 25029 1 388 . 1 1 93 93 LEU C C 13 176.50 0.10 . 1 . . . . 93 LEU C . 25029 1 389 . 1 1 93 93 LEU CA C 13 54.16 0.10 . 1 . . . . 93 LEU CA . 25029 1 390 . 1 1 93 93 LEU CB C 13 42.26 0.10 . 1 . . . . 93 LEU CB . 25029 1 391 . 1 1 93 93 LEU N N 15 117.00 0.15 . 1 . . . . 93 LEU N . 25029 1 392 . 1 1 94 94 ARG H H 1 7.35 0.02 . 1 . . . . 94 ARG H . 25029 1 393 . 1 1 94 94 ARG C C 13 178.60 0.10 . 1 . . . . 94 ARG C . 25029 1 394 . 1 1 94 94 ARG CA C 13 60.97 0.10 . 1 . . . . 94 ARG CA . 25029 1 395 . 1 1 94 94 ARG CB C 13 29.82 0.10 . 1 . . . . 94 ARG CB . 25029 1 396 . 1 1 94 94 ARG N N 15 121.10 0.15 . 1 . . . . 94 ARG N . 25029 1 397 . 1 1 95 95 SER C C 13 176.00 0.10 . 1 . . . . 95 SER C . 25029 1 398 . 1 1 95 95 SER CA C 13 61.48 0.10 . 1 . . . . 95 SER CA . 25029 1 399 . 1 1 96 96 VAL H H 1 7.24 0.02 . 1 . . . . 96 VAL H . 25029 1 400 . 1 1 96 96 VAL C C 13 179.10 0.10 . 1 . . . . 96 VAL C . 25029 1 401 . 1 1 96 96 VAL CA C 13 65.24 0.10 . 1 . . . . 96 VAL CA . 25029 1 402 . 1 1 96 96 VAL CB C 13 30.26 0.10 . 1 . . . . 96 VAL CB . 25029 1 403 . 1 1 96 96 VAL N N 15 122.70 0.15 . 1 . . . . 96 VAL N . 25029 1 404 . 1 1 97 97 PHE H H 1 7.67 0.02 . 1 . . . . 97 PHE H . 25029 1 405 . 1 1 97 97 PHE C C 13 177.80 0.10 . 1 . . . . 97 PHE C . 25029 1 406 . 1 1 97 97 PHE CA C 13 59.79 0.10 . 1 . . . . 97 PHE CA . 25029 1 407 . 1 1 97 97 PHE CB C 13 42.29 0.10 . 1 . . . . 97 PHE CB . 25029 1 408 . 1 1 97 97 PHE N N 15 117.60 0.15 . 1 . . . . 97 PHE N . 25029 1 409 . 1 1 98 98 ALA H H 1 8.17 0.02 . 1 . . . . 98 ALA H . 25029 1 410 . 1 1 98 98 ALA C C 13 178.60 0.10 . 1 . . . . 98 ALA C . 25029 1 411 . 1 1 98 98 ALA CA C 13 54.55 0.10 . 1 . . . . 98 ALA CA . 25029 1 412 . 1 1 98 98 ALA CB C 13 18.82 0.10 . 1 . . . . 98 ALA CB . 25029 1 413 . 1 1 98 98 ALA N N 15 118.60 0.15 . 1 . . . . 98 ALA N . 25029 1 414 . 1 1 99 99 ASN H H 1 7.37 0.02 . 1 . . . . 99 ASN H . 25029 1 415 . 1 1 99 99 ASN C C 13 174.50 0.10 . 1 . . . . 99 ASN C . 25029 1 416 . 1 1 99 99 ASN CA C 13 53.03 0.10 . 1 . . . . 99 ASN CA . 25029 1 417 . 1 1 99 99 ASN CB C 13 39.58 0.10 . 1 . . . . 99 ASN CB . 25029 1 418 . 1 1 99 99 ASN N N 15 113.40 0.15 . 1 . . . . 99 ASN N . 25029 1 419 . 1 1 100 100 SER H H 1 7.39 0.02 . 1 . . . . 100 SER H . 25029 1 420 . 1 1 100 100 SER C C 13 176.10 0.10 . 1 . . . . 100 SER C . 25029 1 421 . 1 1 100 100 SER CA C 13 57.86 0.10 . 1 . . . . 100 SER CA . 25029 1 422 . 1 1 100 100 SER CB C 13 64.25 0.10 . 1 . . . . 100 SER CB . 25029 1 423 . 1 1 100 100 SER N N 15 115.60 0.15 . 1 . . . . 100 SER N . 25029 1 424 . 1 1 103 103 TYR C C 13 177.60 0.10 . 1 . . . . 103 TYR C . 25029 1 425 . 1 1 103 103 TYR CA C 13 60.52 0.10 . 1 . . . . 103 TYR CA . 25029 1 426 . 1 1 104 104 GLY H H 1 8.36 0.02 . 1 . . . . 104 GLY H . 25029 1 427 . 1 1 104 104 GLY C C 13 174.90 0.10 . 1 . . . . 104 GLY C . 25029 1 428 . 1 1 104 104 GLY CA C 13 45.51 0.10 . 1 . . . . 104 GLY CA . 25029 1 429 . 1 1 104 104 GLY N N 15 112.40 0.15 . 1 . . . . 104 GLY N . 25029 1 430 . 1 1 105 105 ALA H H 1 7.87 0.02 . 1 . . . . 105 ALA H . 25029 1 431 . 1 1 105 105 ALA C C 13 178.20 0.10 . 1 . . . . 105 ALA C . 25029 1 432 . 1 1 105 105 ALA CA C 13 53.77 0.10 . 1 . . . . 105 ALA CA . 25029 1 433 . 1 1 105 105 ALA CB C 13 18.25 0.10 . 1 . . . . 105 ALA CB . 25029 1 434 . 1 1 105 105 ALA N N 15 123.10 0.15 . 1 . . . . 105 ALA N . 25029 1 435 . 1 1 106 106 SER H H 1 8.08 0.02 . 1 . . . . 106 SER H . 25029 1 436 . 1 1 106 106 SER CA C 13 59.43 0.10 . 1 . . . . 106 SER CA . 25029 1 437 . 1 1 106 106 SER N N 15 112.80 0.15 . 1 . . . . 106 SER N . 25029 1 438 . 1 1 107 107 ASP C C 13 176.10 0.10 . 1 . . . . 107 ASP C . 25029 1 439 . 1 1 107 107 ASP CA C 13 54.72 0.10 . 1 . . . . 107 ASP CA . 25029 1 440 . 1 1 108 108 SER H H 1 7.69 0.02 . 1 . . . . 108 SER H . 25029 1 441 . 1 1 108 108 SER C C 13 174.30 0.10 . 1 . . . . 108 SER C . 25029 1 442 . 1 1 108 108 SER CA C 13 58.60 0.10 . 1 . . . . 108 SER CA . 25029 1 443 . 1 1 108 108 SER CB C 13 63.93 0.10 . 1 . . . . 108 SER CB . 25029 1 444 . 1 1 108 108 SER N N 15 114.20 0.15 . 1 . . . . 108 SER N . 25029 1 445 . 1 1 109 109 ASN H H 1 8.52 0.02 . 1 . . . . 109 ASN H . 25029 1 446 . 1 1 109 109 ASN C C 13 176.60 0.10 . 1 . . . . 109 ASN C . 25029 1 447 . 1 1 109 109 ASN CA C 13 52.73 0.10 . 1 . . . . 109 ASN CA . 25029 1 448 . 1 1 109 109 ASN N N 15 121.40 0.15 . 1 . . . . 109 ASN N . 25029 1 449 . 1 1 116 116 ASP C C 13 177.70 0.10 . 1 . . . . 116 ASP C . 25029 1 450 . 1 1 116 116 ASP CA C 13 55.55 0.10 . 1 . . . . 116 ASP CA . 25029 1 451 . 1 1 116 116 ASP CB C 13 36.67 0.10 . 1 . . . . 116 ASP CB . 25029 1 452 . 1 1 117 117 LEU H H 1 8.22 0.02 . 1 . . . . 117 LEU H . 25029 1 453 . 1 1 117 117 LEU C C 13 177.40 0.10 . 1 . . . . 117 LEU C . 25029 1 454 . 1 1 117 117 LEU CA C 13 57.28 0.10 . 1 . . . . 117 LEU CA . 25029 1 455 . 1 1 117 117 LEU CB C 13 40.00 0.10 . 1 . . . . 117 LEU CB . 25029 1 456 . 1 1 117 117 LEU N N 15 123.00 0.15 . 1 . . . . 117 LEU N . 25029 1 457 . 1 1 118 118 GLU H H 1 8.92 0.02 . 1 . . . . 118 GLU H . 25029 1 458 . 1 1 118 118 GLU C C 13 177.80 0.10 . 1 . . . . 118 GLU C . 25029 1 459 . 1 1 118 118 GLU CA C 13 60.23 0.10 . 1 . . . . 118 GLU CA . 25029 1 460 . 1 1 118 118 GLU CB C 13 28.24 0.10 . 1 . . . . 118 GLU CB . 25029 1 461 . 1 1 118 118 GLU N N 15 122.50 0.15 . 1 . . . . 118 GLU N . 25029 1 462 . 1 1 119 119 GLU H H 1 7.78 0.02 . 1 . . . . 119 GLU H . 25029 1 463 . 1 1 119 119 GLU C C 13 179.70 0.10 . 1 . . . . 119 GLU C . 25029 1 464 . 1 1 119 119 GLU CA C 13 59.16 0.10 . 1 . . . . 119 GLU CA . 25029 1 465 . 1 1 119 119 GLU CB C 13 28.24 0.10 . 1 . . . . 119 GLU CB . 25029 1 466 . 1 1 119 119 GLU N N 15 117.70 0.15 . 1 . . . . 119 GLU N . 25029 1 467 . 1 1 120 120 GLY H H 1 8.36 0.02 . 1 . . . . 120 GLY H . 25029 1 468 . 1 1 120 120 GLY C C 13 176.70 0.10 . 1 . . . . 120 GLY C . 25029 1 469 . 1 1 120 120 GLY CA C 13 47.14 0.10 . 1 . . . . 120 GLY CA . 25029 1 470 . 1 1 120 120 GLY N N 15 109.00 0.15 . 1 . . . . 120 GLY N . 25029 1 471 . 1 1 121 121 ILE H H 1 9.03 0.02 . 1 . . . . 121 ILE H . 25029 1 472 . 1 1 121 121 ILE C C 13 178.00 0.10 . 1 . . . . 121 ILE C . 25029 1 473 . 1 1 121 121 ILE CA C 13 66.19 0.10 . 1 . . . . 121 ILE CA . 25029 1 474 . 1 1 121 121 ILE CB C 13 36.95 0.10 . 1 . . . . 121 ILE CB . 25029 1 475 . 1 1 121 121 ILE N N 15 122.60 0.15 . 1 . . . . 121 ILE N . 25029 1 476 . 1 1 122 122 GLN H H 1 8.37 0.02 . 1 . . . . 122 GLN H . 25029 1 477 . 1 1 122 122 GLN C C 13 179.80 0.10 . 1 . . . . 122 GLN C . 25029 1 478 . 1 1 122 122 GLN CA C 13 60.29 0.10 . 1 . . . . 122 GLN CA . 25029 1 479 . 1 1 122 122 GLN CB C 13 27.92 0.10 . 1 . . . . 122 GLN CB . 25029 1 480 . 1 1 122 122 GLN N N 15 120.10 0.15 . 1 . . . . 122 GLN N . 25029 1 481 . 1 1 123 123 THR H H 1 8.56 0.02 . 1 . . . . 123 THR H . 25029 1 482 . 1 1 123 123 THR C C 13 177.30 0.10 . 1 . . . . 123 THR C . 25029 1 483 . 1 1 123 123 THR CA C 13 65.56 0.10 . 1 . . . . 123 THR CA . 25029 1 484 . 1 1 123 123 THR CB C 13 67.42 0.10 . 1 . . . . 123 THR CB . 25029 1 485 . 1 1 123 123 THR N N 15 118.00 0.15 . 1 . . . . 123 THR N . 25029 1 486 . 1 1 124 124 LEU H H 1 7.94 0.02 . 1 . . . . 124 LEU H . 25029 1 487 . 1 1 124 124 LEU C C 13 178.20 0.10 . 1 . . . . 124 LEU C . 25029 1 488 . 1 1 124 124 LEU CA C 13 58.36 0.10 . 1 . . . . 124 LEU CA . 25029 1 489 . 1 1 124 124 LEU CB C 13 41.68 0.10 . 1 . . . . 124 LEU CB . 25029 1 490 . 1 1 124 124 LEU N N 15 123.30 0.15 . 1 . . . . 124 LEU N . 25029 1 491 . 1 1 125 125 MET H H 1 8.55 0.02 . 1 . . . . 125 MET H . 25029 1 492 . 1 1 125 125 MET C C 13 178.30 0.10 . 1 . . . . 125 MET C . 25029 1 493 . 1 1 125 125 MET CA C 13 60.03 0.10 . 1 . . . . 125 MET CA . 25029 1 494 . 1 1 125 125 MET CB C 13 31.77 0.10 . 1 . . . . 125 MET CB . 25029 1 495 . 1 1 125 125 MET N N 15 116.70 0.15 . 1 . . . . 125 MET N . 25029 1 496 . 1 1 126 126 GLY H H 1 7.72 0.02 . 1 . . . . 126 GLY H . 25029 1 497 . 1 1 126 126 GLY C C 13 176.30 0.10 . 1 . . . . 126 GLY C . 25029 1 498 . 1 1 126 126 GLY CA C 13 46.98 0.10 . 1 . . . . 126 GLY CA . 25029 1 499 . 1 1 126 126 GLY N N 15 103.81 0.15 . 1 . . . . 126 GLY N . 25029 1 500 . 1 1 127 127 ARG H H 1 7.58 0.02 . 1 . . . . 127 ARG H . 25029 1 501 . 1 1 127 127 ARG C C 13 177.30 0.10 . 1 . . . . 127 ARG C . 25029 1 502 . 1 1 127 127 ARG CA C 13 55.69 0.10 . 1 . . . . 127 ARG CA . 25029 1 503 . 1 1 127 127 ARG CB C 13 28.74 0.10 . 1 . . . . 127 ARG CB . 25029 1 504 . 1 1 127 127 ARG N N 15 118.80 0.15 . 1 . . . . 127 ARG N . 25029 1 505 . 1 1 128 128 LEU H H 1 7.73 0.02 . 1 . . . . 128 LEU H . 25029 1 506 . 1 1 128 128 LEU C C 13 176.40 0.10 . 1 . . . . 128 LEU C . 25029 1 507 . 1 1 128 128 LEU CA C 13 55.05 0.10 . 1 . . . . 128 LEU CA . 25029 1 508 . 1 1 128 128 LEU CB C 13 40.59 0.10 . 1 . . . . 128 LEU CB . 25029 1 509 . 1 1 128 128 LEU N N 15 119.00 0.15 . 1 . . . . 128 LEU N . 25029 1 510 . 1 1 129 129 GLU H H 1 7.32 0.02 . 1 . . . . 129 GLU H . 25029 1 511 . 1 1 129 129 GLU C C 13 176.10 0.10 . 1 . . . . 129 GLU C . 25029 1 512 . 1 1 129 129 GLU CA C 13 58.00 0.10 . 1 . . . . 129 GLU CA . 25029 1 513 . 1 1 129 129 GLU CB C 13 29.54 0.10 . 1 . . . . 129 GLU CB . 25029 1 514 . 1 1 129 129 GLU N N 15 120.60 0.15 . 1 . . . . 129 GLU N . 25029 1 515 . 1 1 130 130 ASP H H 1 7.88 0.02 . 1 . . . . 130 ASP H . 25029 1 516 . 1 1 130 130 ASP C C 13 177.50 0.10 . 1 . . . . 130 ASP C . 25029 1 517 . 1 1 130 130 ASP CA C 13 53.46 0.10 . 1 . . . . 130 ASP CA . 25029 1 518 . 1 1 130 130 ASP CB C 13 41.28 0.10 . 1 . . . . 130 ASP CB . 25029 1 519 . 1 1 130 130 ASP N N 15 124.10 0.15 . 1 . . . . 130 ASP N . 25029 1 520 . 1 1 131 131 GLY H H 1 9.12 0.02 . 1 . . . . 131 GLY H . 25029 1 521 . 1 1 131 131 GLY C C 13 174.50 0.10 . 1 . . . . 131 GLY C . 25029 1 522 . 1 1 131 131 GLY CA C 13 45.38 0.10 . 1 . . . . 131 GLY CA . 25029 1 523 . 1 1 131 131 GLY N N 15 110.60 0.15 . 1 . . . . 131 GLY N . 25029 1 524 . 1 1 132 132 SER H H 1 8.12 0.02 . 1 . . . . 132 SER H . 25029 1 525 . 1 1 132 132 SER C C 13 172.60 0.10 . 1 . . . . 132 SER C . 25029 1 526 . 1 1 132 132 SER CA C 13 57.39 0.10 . 1 . . . . 132 SER CA . 25029 1 527 . 1 1 132 132 SER CB C 13 62.59 0.10 . 1 . . . . 132 SER CB . 25029 1 528 . 1 1 132 132 SER N N 15 117.70 0.15 . 1 . . . . 132 SER N . 25029 1 529 . 1 1 135 135 THR C C 13 175.40 0.10 . 1 . . . . 135 THR C . 25029 1 530 . 1 1 135 135 THR CA C 13 61.72 0.10 . 1 . . . . 135 THR CA . 25029 1 531 . 1 1 135 135 THR CB C 13 69.74 0.10 . 1 . . . . 135 THR CB . 25029 1 532 . 1 1 136 136 GLY H H 1 8.50 0.02 . 1 . . . . 136 GLY H . 25029 1 533 . 1 1 136 136 GLY C C 13 174.30 0.10 . 1 . . . . 136 GLY C . 25029 1 534 . 1 1 136 136 GLY CA C 13 44.99 0.10 . 1 . . . . 136 GLY CA . 25029 1 535 . 1 1 136 136 GLY N N 15 110.20 0.15 . 1 . . . . 136 GLY N . 25029 1 536 . 1 1 139 139 PHE C C 13 175.90 0.10 . 1 . . . . 139 PHE C . 25029 1 537 . 1 1 139 139 PHE CA C 13 56.30 0.10 . 1 . . . . 139 PHE CA . 25029 1 538 . 1 1 140 140 LYS H H 1 7.88 0.02 . 1 . . . . 140 LYS H . 25029 1 539 . 1 1 140 140 LYS C C 13 175.80 0.10 . 1 . . . . 140 LYS C . 25029 1 540 . 1 1 140 140 LYS CA C 13 60.15 0.10 . 1 . . . . 140 LYS CA . 25029 1 541 . 1 1 140 140 LYS CB C 13 37.57 0.10 . 1 . . . . 140 LYS CB . 25029 1 542 . 1 1 140 140 LYS N N 15 120.30 0.15 . 1 . . . . 140 LYS N . 25029 1 543 . 1 1 141 141 GLN H H 1 7.67 0.02 . 1 . . . . 141 GLN H . 25029 1 544 . 1 1 141 141 GLN C C 13 174.50 0.10 . 1 . . . . 141 GLN C . 25029 1 545 . 1 1 141 141 GLN CA C 13 55.65 0.10 . 1 . . . . 141 GLN CA . 25029 1 546 . 1 1 141 141 GLN CB C 13 29.62 0.10 . 1 . . . . 141 GLN CB . 25029 1 547 . 1 1 141 141 GLN N N 15 121.30 0.15 . 1 . . . . 141 GLN N . 25029 1 548 . 1 1 142 142 THR H H 1 8.00 0.02 . 1 . . . . 142 THR H . 25029 1 549 . 1 1 142 142 THR C C 13 174.10 0.10 . 1 . . . . 142 THR C . 25029 1 550 . 1 1 142 142 THR CA C 13 60.25 0.10 . 1 . . . . 142 THR CA . 25029 1 551 . 1 1 142 142 THR CB C 13 69.95 0.10 . 1 . . . . 142 THR CB . 25029 1 552 . 1 1 142 142 THR N N 15 114.60 0.15 . 1 . . . . 142 THR N . 25029 1 553 . 1 1 143 143 TYR H H 1 7.94 0.02 . 1 . . . . 143 TYR H . 25029 1 554 . 1 1 143 143 TYR C C 13 174.80 0.10 . 1 . . . . 143 TYR C . 25029 1 555 . 1 1 143 143 TYR CA C 13 58.01 0.10 . 1 . . . . 143 TYR CA . 25029 1 556 . 1 1 143 143 TYR CB C 13 37.62 0.10 . 1 . . . . 143 TYR CB . 25029 1 557 . 1 1 143 143 TYR N N 15 119.30 0.15 . 1 . . . . 143 TYR N . 25029 1 558 . 1 1 144 144 SER H H 1 8.28 0.02 . 1 . . . . 144 SER H . 25029 1 559 . 1 1 144 144 SER C C 13 173.50 0.10 . 1 . . . . 144 SER C . 25029 1 560 . 1 1 144 144 SER CA C 13 58.57 0.10 . 1 . . . . 144 SER CA . 25029 1 561 . 1 1 144 144 SER CB C 13 64.28 0.10 . 1 . . . . 144 SER CB . 25029 1 562 . 1 1 144 144 SER N N 15 117.00 0.15 . 1 . . . . 144 SER N . 25029 1 563 . 1 1 145 145 LYS H H 1 8.30 0.02 . 1 . . . . 145 LYS H . 25029 1 564 . 1 1 145 145 LYS C C 13 175.50 0.10 . 1 . . . . 145 LYS C . 25029 1 565 . 1 1 145 145 LYS CA C 13 55.61 0.10 . 1 . . . . 145 LYS CA . 25029 1 566 . 1 1 145 145 LYS CB C 13 33.84 0.10 . 1 . . . . 145 LYS CB . 25029 1 567 . 1 1 145 145 LYS N N 15 122.80 0.15 . 1 . . . . 145 LYS N . 25029 1 568 . 1 1 146 146 PHE H H 1 8.25 0.02 . 1 . . . . 146 PHE H . 25029 1 569 . 1 1 146 146 PHE C C 13 174.30 0.10 . 1 . . . . 146 PHE C . 25029 1 570 . 1 1 146 146 PHE CA C 13 56.83 0.10 . 1 . . . . 146 PHE CA . 25029 1 571 . 1 1 146 146 PHE CB C 13 39.56 0.10 . 1 . . . . 146 PHE CB . 25029 1 572 . 1 1 146 146 PHE N N 15 123.40 0.15 . 1 . . . . 146 PHE N . 25029 1 573 . 1 1 147 147 ASP H H 1 8.09 0.02 . 1 . . . . 147 ASP H . 25029 1 574 . 1 1 147 147 ASP C C 13 175.90 0.10 . 1 . . . . 147 ASP C . 25029 1 575 . 1 1 147 147 ASP CA C 13 51.63 0.10 . 1 . . . . 147 ASP CA . 25029 1 576 . 1 1 147 147 ASP CB C 13 42.94 0.10 . 1 . . . . 147 ASP CB . 25029 1 577 . 1 1 147 147 ASP N N 15 125.70 0.15 . 1 . . . . 147 ASP N . 25029 1 578 . 1 1 148 148 THR H H 1 7.94 0.02 . 1 . . . . 148 THR H . 25029 1 579 . 1 1 148 148 THR C C 13 174.80 0.10 . 1 . . . . 148 THR C . 25029 1 580 . 1 1 148 148 THR CA C 13 62.71 0.10 . 1 . . . . 148 THR CA . 25029 1 581 . 1 1 148 148 THR CB C 13 69.20 0.10 . 1 . . . . 148 THR CB . 25029 1 582 . 1 1 148 148 THR N N 15 116.20 0.15 . 1 . . . . 148 THR N . 25029 1 583 . 1 1 149 149 ASN H H 1 8.29 0.02 . 1 . . . . 149 ASN H . 25029 1 584 . 1 1 149 149 ASN C C 13 175.30 0.10 . 1 . . . . 149 ASN C . 25029 1 585 . 1 1 149 149 ASN CA C 13 53.82 0.10 . 1 . . . . 149 ASN CA . 25029 1 586 . 1 1 149 149 ASN CB C 13 38.68 0.10 . 1 . . . . 149 ASN CB . 25029 1 587 . 1 1 149 149 ASN N N 15 120.00 0.15 . 1 . . . . 149 ASN N . 25029 1 588 . 1 1 150 150 SER H H 1 7.82 0.02 . 1 . . . . 150 SER H . 25029 1 589 . 1 1 150 150 SER C C 13 174.20 0.10 . 1 . . . . 150 SER C . 25029 1 590 . 1 1 150 150 SER CA C 13 58.86 0.10 . 1 . . . . 150 SER CA . 25029 1 591 . 1 1 150 150 SER CB C 13 64.11 0.10 . 1 . . . . 150 SER CB . 25029 1 592 . 1 1 150 150 SER N N 15 115.30 0.15 . 1 . . . . 150 SER N . 25029 1 593 . 1 1 152 152 ASN C C 13 175.00 0.10 . 1 . . . . 152 ASN C . 25029 1 594 . 1 1 152 152 ASN CA C 13 53.94 0.10 . 1 . . . . 152 ASN CA . 25029 1 595 . 1 1 152 152 ASN CB C 13 41.14 0.10 . 1 . . . . 152 ASN CB . 25029 1 596 . 1 1 153 153 ASP H H 1 8.42 0.02 . 1 . . . . 153 ASP H . 25029 1 597 . 1 1 153 153 ASP C C 13 175.80 0.10 . 1 . . . . 153 ASP C . 25029 1 598 . 1 1 153 153 ASP CA C 13 54.75 0.10 . 1 . . . . 153 ASP CA . 25029 1 599 . 1 1 153 153 ASP CB C 13 39.98 0.10 . 1 . . . . 153 ASP CB . 25029 1 600 . 1 1 153 153 ASP N N 15 119.90 0.15 . 1 . . . . 153 ASP N . 25029 1 601 . 1 1 154 154 ASP H H 1 8.07 0.02 . 1 . . . . 154 ASP H . 25029 1 602 . 1 1 154 154 ASP C C 13 175.90 0.10 . 1 . . . . 154 ASP C . 25029 1 603 . 1 1 154 154 ASP CA C 13 54.14 0.10 . 1 . . . . 154 ASP CA . 25029 1 604 . 1 1 154 154 ASP CB C 13 41.41 0.10 . 1 . . . . 154 ASP CB . 25029 1 605 . 1 1 154 154 ASP N N 15 120.20 0.15 . 1 . . . . 154 ASP N . 25029 1 606 . 1 1 155 155 ALA H H 1 8.44 0.02 . 1 . . . . 155 ALA H . 25029 1 607 . 1 1 155 155 ALA C C 13 179.00 0.10 . 1 . . . . 155 ALA C . 25029 1 608 . 1 1 155 155 ALA CA C 13 55.03 0.10 . 1 . . . . 155 ALA CA . 25029 1 609 . 1 1 155 155 ALA CB C 13 17.80 0.10 . 1 . . . . 155 ALA CB . 25029 1 610 . 1 1 155 155 ALA N N 15 126.90 0.15 . 1 . . . . 155 ALA N . 25029 1 611 . 1 1 156 156 LEU H H 1 8.00 0.02 . 1 . . . . 156 LEU H . 25029 1 612 . 1 1 156 156 LEU C C 13 178.40 0.10 . 1 . . . . 156 LEU C . 25029 1 613 . 1 1 156 156 LEU CA C 13 59.45 0.10 . 1 . . . . 156 LEU CA . 25029 1 614 . 1 1 156 156 LEU CB C 13 41.54 0.10 . 1 . . . . 156 LEU CB . 25029 1 615 . 1 1 156 156 LEU N N 15 119.00 0.15 . 1 . . . . 156 LEU N . 25029 1 616 . 1 1 157 157 LEU H H 1 7.85 0.02 . 1 . . . . 157 LEU H . 25029 1 617 . 1 1 157 157 LEU C C 13 180.80 0.10 . 1 . . . . 157 LEU C . 25029 1 618 . 1 1 157 157 LEU CA C 13 57.17 0.10 . 1 . . . . 157 LEU CA . 25029 1 619 . 1 1 157 157 LEU CB C 13 40.08 0.10 . 1 . . . . 157 LEU CB . 25029 1 620 . 1 1 157 157 LEU N N 15 117.60 0.15 . 1 . . . . 157 LEU N . 25029 1 621 . 1 1 158 158 LYS H H 1 8.37 0.02 . 1 . . . . 158 LYS H . 25029 1 622 . 1 1 158 158 LYS C C 13 179.40 0.10 . 1 . . . . 158 LYS C . 25029 1 623 . 1 1 158 158 LYS CA C 13 59.48 0.10 . 1 . . . . 158 LYS CA . 25029 1 624 . 1 1 158 158 LYS CB C 13 31.05 0.10 . 1 . . . . 158 LYS CB . 25029 1 625 . 1 1 158 158 LYS N N 15 122.10 0.15 . 1 . . . . 158 LYS N . 25029 1 626 . 1 1 159 159 ASN H H 1 8.25 0.02 . 1 . . . . 159 ASN H . 25029 1 627 . 1 1 159 159 ASN C C 13 176.60 0.10 . 1 . . . . 159 ASN C . 25029 1 628 . 1 1 159 159 ASN CA C 13 55.71 0.10 . 1 . . . . 159 ASN CA . 25029 1 629 . 1 1 159 159 ASN CB C 13 37.05 0.10 . 1 . . . . 159 ASN CB . 25029 1 630 . 1 1 159 159 ASN N N 15 119.30 0.15 . 1 . . . . 159 ASN N . 25029 1 631 . 1 1 160 160 TYR H H 1 8.47 0.02 . 1 . . . . 160 TYR H . 25029 1 632 . 1 1 160 160 TYR C C 13 177.30 0.10 . 1 . . . . 160 TYR C . 25029 1 633 . 1 1 160 160 TYR CA C 13 58.46 0.10 . 1 . . . . 160 TYR CA . 25029 1 634 . 1 1 160 160 TYR N N 15 120.90 0.15 . 1 . . . . 160 TYR N . 25029 1 635 . 1 1 161 161 GLY H H 1 8.29 0.02 . 1 . . . . 161 GLY H . 25029 1 636 . 1 1 161 161 GLY C C 13 176.70 0.10 . 1 . . . . 161 GLY C . 25029 1 637 . 1 1 161 161 GLY CA C 13 47.17 0.10 . 1 . . . . 161 GLY CA . 25029 1 638 . 1 1 161 161 GLY N N 15 103.58 0.15 . 1 . . . . 161 GLY N . 25029 1 639 . 1 1 162 162 LEU H H 1 8.16 0.02 . 1 . . . . 162 LEU H . 25029 1 640 . 1 1 162 162 LEU C C 13 179.10 0.10 . 1 . . . . 162 LEU C . 25029 1 641 . 1 1 162 162 LEU CA C 13 57.77 0.10 . 1 . . . . 162 LEU CA . 25029 1 642 . 1 1 162 162 LEU CB C 13 42.69 0.10 . 1 . . . . 162 LEU CB . 25029 1 643 . 1 1 162 162 LEU N N 15 122.60 0.15 . 1 . . . . 162 LEU N . 25029 1 644 . 1 1 163 163 LEU H H 1 8.51 0.02 . 1 . . . . 163 LEU H . 25029 1 645 . 1 1 163 163 LEU CA C 13 58.08 0.10 . 1 . . . . 163 LEU CA . 25029 1 646 . 1 1 163 163 LEU CB C 13 42.59 0.10 . 1 . . . . 163 LEU CB . 25029 1 647 . 1 1 163 163 LEU N N 15 119.60 0.15 . 1 . . . . 163 LEU N . 25029 1 648 . 1 1 167 167 ARG C C 13 177.20 0.10 . 1 . . . . 167 ARG C . 25029 1 649 . 1 1 167 167 ARG CA C 13 60.13 0.10 . 1 . . . . 167 ARG CA . 25029 1 650 . 1 1 168 168 LYS H H 1 7.56 0.02 . 1 . . . . 168 LYS H . 25029 1 651 . 1 1 168 168 LYS C C 13 179.50 0.10 . 1 . . . . 168 LYS C . 25029 1 652 . 1 1 168 168 LYS CA C 13 59.06 0.10 . 1 . . . . 168 LYS CA . 25029 1 653 . 1 1 168 168 LYS CB C 13 31.15 0.10 . 1 . . . . 168 LYS CB . 25029 1 654 . 1 1 168 168 LYS N N 15 119.00 0.15 . 1 . . . . 168 LYS N . 25029 1 655 . 1 1 169 169 ASP H H 1 8.76 0.02 . 1 . . . . 169 ASP H . 25029 1 656 . 1 1 169 169 ASP C C 13 178.30 0.10 . 1 . . . . 169 ASP C . 25029 1 657 . 1 1 169 169 ASP CA C 13 57.23 0.10 . 1 . . . . 169 ASP CA . 25029 1 658 . 1 1 169 169 ASP CB C 13 38.71 0.10 . 1 . . . . 169 ASP CB . 25029 1 659 . 1 1 169 169 ASP N N 15 120.80 0.15 . 1 . . . . 169 ASP N . 25029 1 660 . 1 1 170 170 MET H H 1 8.28 0.02 . 1 . . . . 170 MET H . 25029 1 661 . 1 1 170 170 MET C C 13 178.90 0.10 . 1 . . . . 170 MET C . 25029 1 662 . 1 1 170 170 MET CA C 13 56.25 0.10 . 1 . . . . 170 MET CA . 25029 1 663 . 1 1 170 170 MET N N 15 118.60 0.15 . 1 . . . . 170 MET N . 25029 1 664 . 1 1 171 171 ASP H H 1 7.57 0.02 . 1 . . . . 171 ASP H . 25029 1 665 . 1 1 171 171 ASP C C 13 178.60 0.10 . 1 . . . . 171 ASP C . 25029 1 666 . 1 1 171 171 ASP CA C 13 56.85 0.10 . 1 . . . . 171 ASP CA . 25029 1 667 . 1 1 171 171 ASP CB C 13 41.30 0.10 . 1 . . . . 171 ASP CB . 25029 1 668 . 1 1 171 171 ASP N N 15 120.10 0.15 . 1 . . . . 171 ASP N . 25029 1 669 . 1 1 172 172 LYS H H 1 7.24 0.02 . 1 . . . . 172 LYS H . 25029 1 670 . 1 1 172 172 LYS C C 13 176.50 0.10 . 1 . . . . 172 LYS C . 25029 1 671 . 1 1 172 172 LYS CA C 13 59.55 0.10 . 1 . . . . 172 LYS CA . 25029 1 672 . 1 1 172 172 LYS CB C 13 30.60 0.10 . 1 . . . . 172 LYS CB . 25029 1 673 . 1 1 172 172 LYS N N 15 119.70 0.15 . 1 . . . . 172 LYS N . 25029 1 674 . 1 1 173 173 VAL H H 1 7.75 0.02 . 1 . . . . 173 VAL H . 25029 1 675 . 1 1 173 173 VAL C C 13 178.00 0.10 . 1 . . . . 173 VAL C . 25029 1 676 . 1 1 173 173 VAL CA C 13 67.40 0.10 . 1 . . . . 173 VAL CA . 25029 1 677 . 1 1 173 173 VAL CB C 13 30.56 0.10 . 1 . . . . 173 VAL CB . 25029 1 678 . 1 1 173 173 VAL N N 15 116.90 0.15 . 1 . . . . 173 VAL N . 25029 1 679 . 1 1 175 175 THR H H 1 7.94 0.02 . 1 . . . . 175 THR H . 25029 1 680 . 1 1 175 175 THR C C 13 176.60 0.10 . 1 . . . . 175 THR C . 25029 1 681 . 1 1 175 175 THR CA C 13 67.23 0.10 . 1 . . . . 175 THR CA . 25029 1 682 . 1 1 175 175 THR CB C 13 68.02 0.10 . 1 . . . . 175 THR CB . 25029 1 683 . 1 1 175 175 THR N N 15 114.30 0.15 . 1 . . . . 175 THR N . 25029 1 684 . 1 1 176 176 PHE H H 1 8.70 0.02 . 1 . . . . 176 PHE H . 25029 1 685 . 1 1 176 176 PHE C C 13 178.30 0.10 . 1 . . . . 176 PHE C . 25029 1 686 . 1 1 176 176 PHE CA C 13 57.92 0.10 . 1 . . . . 176 PHE CA . 25029 1 687 . 1 1 176 176 PHE CB C 13 36.42 0.10 . 1 . . . . 176 PHE CB . 25029 1 688 . 1 1 176 176 PHE N N 15 120.80 0.15 . 1 . . . . 176 PHE N . 25029 1 689 . 1 1 177 177 LEU H H 1 8.53 0.02 . 1 . . . . 177 LEU H . 25029 1 690 . 1 1 177 177 LEU C C 13 178.40 0.10 . 1 . . . . 177 LEU C . 25029 1 691 . 1 1 177 177 LEU CA C 13 58.31 0.10 . 1 . . . . 177 LEU CA . 25029 1 692 . 1 1 177 177 LEU CB C 13 41.04 0.10 . 1 . . . . 177 LEU CB . 25029 1 693 . 1 1 177 177 LEU N N 15 118.70 0.15 . 1 . . . . 177 LEU N . 25029 1 694 . 1 1 178 178 ARG H H 1 8.07 0.02 . 1 . . . . 178 ARG H . 25029 1 695 . 1 1 178 178 ARG C C 13 178.60 0.10 . 1 . . . . 178 ARG C . 25029 1 696 . 1 1 178 178 ARG CA C 13 58.55 0.10 . 1 . . . . 178 ARG CA . 25029 1 697 . 1 1 178 178 ARG CB C 13 28.83 0.10 . 1 . . . . 178 ARG CB . 25029 1 698 . 1 1 178 178 ARG N N 15 119.10 0.15 . 1 . . . . 178 ARG N . 25029 1 699 . 1 1 179 179 ILE H H 1 7.81 0.02 . 1 . . . . 179 ILE H . 25029 1 700 . 1 1 179 179 ILE C C 13 178.20 0.10 . 1 . . . . 179 ILE C . 25029 1 701 . 1 1 179 179 ILE CA C 13 64.98 0.10 . 1 . . . . 179 ILE CA . 25029 1 702 . 1 1 179 179 ILE CB C 13 36.96 0.10 . 1 . . . . 179 ILE CB . 25029 1 703 . 1 1 179 179 ILE N N 15 119.30 0.15 . 1 . . . . 179 ILE N . 25029 1 704 . 1 1 180 180 VAL H H 1 7.77 0.02 . 1 . . . . 180 VAL H . 25029 1 705 . 1 1 180 180 VAL C C 13 178.50 0.10 . 1 . . . . 180 VAL C . 25029 1 706 . 1 1 180 180 VAL CA C 13 66.57 0.10 . 1 . . . . 180 VAL CA . 25029 1 707 . 1 1 180 180 VAL CB C 13 30.45 0.10 . 1 . . . . 180 VAL CB . 25029 1 708 . 1 1 180 180 VAL N N 15 118.60 0.15 . 1 . . . . 180 VAL N . 25029 1 709 . 1 1 181 181 GLN H H 1 8.75 0.02 . 1 . . . . 181 GLN H . 25029 1 710 . 1 1 181 181 GLN C C 13 177.40 0.10 . 1 . . . . 181 GLN C . 25029 1 711 . 1 1 181 181 GLN CA C 13 59.62 0.10 . 1 . . . . 181 GLN CA . 25029 1 712 . 1 1 181 181 GLN CB C 13 27.50 0.10 . 1 . . . . 181 GLN CB . 25029 1 713 . 1 1 181 181 GLN N N 15 123.70 0.15 . 1 . . . . 181 GLN N . 25029 1 714 . 1 1 182 182 CYS H H 1 8.43 0.02 . 1 . . . . 182 CYS H . 25029 1 715 . 1 1 182 182 CYS C C 13 177.00 0.10 . 1 . . . . 182 CYS C . 25029 1 716 . 1 1 182 182 CYS CA C 13 57.93 0.10 . 1 . . . . 182 CYS CA . 25029 1 717 . 1 1 182 182 CYS N N 15 116.10 0.15 . 1 . . . . 182 CYS N . 25029 1 718 . 1 1 183 183 ARG H H 1 7.90 0.02 . 1 . . . . 183 ARG H . 25029 1 719 . 1 1 183 183 ARG C C 13 178.20 0.10 . 1 . . . . 183 ARG C . 25029 1 720 . 1 1 183 183 ARG CA C 13 58.57 0.10 . 1 . . . . 183 ARG CA . 25029 1 721 . 1 1 183 183 ARG N N 15 116.30 0.15 . 1 . . . . 183 ARG N . 25029 1 722 . 1 1 184 184 SER H H 1 7.81 0.02 . 1 . . . . 184 SER H . 25029 1 723 . 1 1 184 184 SER C C 13 174.10 0.10 . 1 . . . . 184 SER C . 25029 1 724 . 1 1 184 184 SER CA C 13 60.70 0.10 . 1 . . . . 184 SER CA . 25029 1 725 . 1 1 184 184 SER N N 15 113.20 0.15 . 1 . . . . 184 SER N . 25029 1 726 . 1 1 185 185 VAL H H 1 7.94 0.02 . 1 . . . . 185 VAL H . 25029 1 727 . 1 1 185 185 VAL C C 13 175.70 0.10 . 1 . . . . 185 VAL C . 25029 1 728 . 1 1 185 185 VAL CA C 13 61.41 0.10 . 1 . . . . 185 VAL CA . 25029 1 729 . 1 1 185 185 VAL CB C 13 31.15 0.10 . 1 . . . . 185 VAL CB . 25029 1 730 . 1 1 185 185 VAL N N 15 120.00 0.15 . 1 . . . . 185 VAL N . 25029 1 731 . 1 1 186 186 GLU H H 1 8.39 0.02 . 1 . . . . 186 GLU H . 25029 1 732 . 1 1 186 186 GLU C C 13 177.40 0.10 . 1 . . . . 186 GLU C . 25029 1 733 . 1 1 186 186 GLU CA C 13 54.53 0.10 . 1 . . . . 186 GLU CA . 25029 1 734 . 1 1 186 186 GLU CB C 13 28.78 0.10 . 1 . . . . 186 GLU CB . 25029 1 735 . 1 1 186 186 GLU N N 15 124.70 0.15 . 1 . . . . 186 GLU N . 25029 1 736 . 1 1 187 187 GLY H H 1 8.58 0.02 . 1 . . . . 187 GLY H . 25029 1 737 . 1 1 187 187 GLY C C 13 174.50 0.10 . 1 . . . . 187 GLY C . 25029 1 738 . 1 1 187 187 GLY N N 15 111.20 0.15 . 1 . . . . 187 GLY N . 25029 1 739 . 1 1 188 188 SER H H 1 8.00 0.02 . 1 . . . . 188 SER H . 25029 1 740 . 1 1 188 188 SER CA C 13 59.46 0.10 . 1 . . . . 188 SER CA . 25029 1 741 . 1 1 188 188 SER N N 15 114.90 0.15 . 1 . . . . 188 SER N . 25029 1 742 . 1 1 189 189 CYS C C 13 174.60 0.10 . 1 . . . . 189 CYS C . 25029 1 743 . 1 1 190 190 GLY H H 1 8.25 0.02 . 1 . . . . 190 GLY H . 25029 1 744 . 1 1 190 190 GLY C C 13 172.60 0.10 . 1 . . . . 190 GLY C . 25029 1 745 . 1 1 190 190 GLY CA C 13 47.46 0.10 . 1 . . . . 190 GLY CA . 25029 1 746 . 1 1 190 190 GLY N N 15 109.60 0.15 . 1 . . . . 190 GLY N . 25029 1 747 . 1 1 191 191 PHE H H 1 7.43 0.02 . 1 . . . . 191 PHE H . 25029 1 748 . 1 1 191 191 PHE C C 13 177.40 0.10 . 1 . . . . 191 PHE C . 25029 1 749 . 1 1 191 191 PHE CA C 13 55.77 0.10 . 1 . . . . 191 PHE CA . 25029 1 750 . 1 1 191 191 PHE CB C 13 40.35 0.10 . 1 . . . . 191 PHE CB . 25029 1 751 . 1 1 191 191 PHE N N 15 124.00 0.15 . 1 . . . . 191 PHE N . 25029 1 stop_ save_