data_4689 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4689 _Entry.Title ; NMR Studies of the Backbone Flexibility and Structure of Human Growth Hormone: a Comparison of High and Low pH Conformations ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-03-16 _Entry.Accession_date 2000-03-16 _Entry.Last_release_date 2002-04-01 _Entry.Original_release_date 2002-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marina Kasimova . R. . 4689 2 Soren Kristensen . M. . 4689 3 Peter Howe . W.A. . 4689 4 Thorkild Christensen . . . 4689 5 Finn Matthiesen . . . 4689 6 Jorgen Petersen . . . 4689 7 Hans Sorensen . H. . 4689 8 Jens Led . J. . 4689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4689 order_parameters 2 4689 heteronucl_T1_relaxation 2 4689 heteronucl_T2_relaxation 2 4689 heteronucl_NOEs 2 4689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 502 4689 '13C chemical shifts' 402 4689 '15N chemical shifts' 245 4689 'heteronuclear NOE values' 237 4689 'T1 relaxation values' 237 4689 'T2 relaxation values' 237 4689 'order parameters' 237 4689 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 . . 2002-04-01 2000-03-16 original author . 4689 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25029 'assignments based on new series of NMR spectra' 4689 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4689 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22050830 _Citation.DOI . _Citation.PubMed_ID 12054815 _Citation.Full_citation . _Citation.Title ; NMR Studies of the Backbone Flexibility and Structure of Human Growth Hormone: A Comparison of high and low pH Conformations ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 318 _Citation.Journal_issue 3 _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 679 _Citation.Page_last 695 _Citation.Year 2002 _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 Marina Kasimova . R. . 4689 1 2 Soren Kristensen . M. . 4689 1 3 Peter Howe . W.A. . 4689 1 4 Thorkild Christensen . . . 4689 1 5 Finn Matthiesen . . . 4689 1 6 Jorgen Petersen . . . 4689 1 7 Hans Sorensen . H. . 4689 1 8 Jens Led . J. . 4689 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone dynamics' 4689 1 'amide proton exchange' 4689 1 'human growth hormone' 4689 1 NMR 4689 1 'secondary structure' 4689 1 'protein folding' 4689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hGH _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hGH _Assembly.Entry_ID 4689 _Assembly.ID 1 _Assembly.Name 'Human Growth Hormone' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4689 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hGH 1 $hGH . . yes native . . . . . 4689 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human Growth Hormone' system 4689 1 hGH abbreviation 4689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hGH _Entity.Sf_category entity _Entity.Sf_framecode hGH _Entity.Entry_ID 4689 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human Growth Hormone' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 25029 . hGH . . . . . 100.00 191 100.00 100.00 1.35e-137 . . . . 4689 1 2 no PDB 1A22 . "Human Growth Hormone Bound To Single Receptor" . . . . . 100.00 191 99.48 99.48 2.55e-136 . . . . 4689 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 . . . . 4689 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 . . . . 4689 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 . . . . 4689 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 . . . . 4689 1 7 no DBJ BAJ21175 . "growth hormone 1 [synthetic construct]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 4689 1 8 no EMBL CAA23778 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 217 99.48 99.48 4.16e-136 . . . . 4689 1 9 no EMBL CAA23779 . "growth hormone [Homo sapiens]" . . . . . 100.00 217 99.48 99.48 3.53e-136 . . . . 4689 1 10 no GB AAA52549 . "growth hormone GH-1 [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 4689 1 11 no GB AAA72260 . "human growth hormone [synthetic construct]" . . . . . 100.00 192 100.00 100.00 1.20e-137 . . . . 4689 1 12 no GB AAA98618 . "growth hormone [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 4689 1 13 no GB AAC42099 . "growth hormone [synthetic construct]" . . . . . 100.00 192 100.00 100.00 1.20e-137 . . . . 4689 1 14 no GB AAF23135 . "recombinant ubiquitin-somatotropin fusion protein [synthetic construct]" . . . . . 100.00 270 100.00 100.00 1.99e-137 . . . . 4689 1 15 no PRF 1403262B . "somatoliberin 20kD variant" . . . . . 100.00 217 99.48 99.48 3.53e-136 . . . . 4689 1 16 no REF NP_000506 . "somatotropin isoform 1 precursor [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 4689 1 17 no REF NP_001184093 . "somatotropin precursor [Pan troglodytes]" . . . . . 100.00 217 100.00 100.00 4.88e-137 . . . . 4689 1 18 no REF NP_001277233 . "growth hormone 1 precursor [Papio anubis]" . . . . . 100.00 217 97.38 98.95 1.57e-133 . . . . 4689 1 19 no REF XP_002827754 . "PREDICTED: somatotropin isoform X7 [Pongo abelii]" . . . . . 100.00 217 100.00 100.00 2.03e-137 . . . . 4689 1 20 no REF XP_003262698 . "PREDICTED: somatotropin isoform X1 [Nomascus leucogenys]" . . . . . 65.97 252 98.41 99.21 4.66e-82 . . . . 4689 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 . . . . 4689 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 . . . . 4689 1 23 no TPE CDW51387 . "TPA: growth hormone B5 [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 2.67e-137 . . . . 4689 1 24 no TPE CDW51389 . "TPA: growth hormone B2 [Pan troglodytes]" . . . . . 100.00 217 98.43 98.43 5.22e-134 . . . . 4689 1 25 no TPE CDW51391 . "TPA: growth hormone B2 [Gorilla gorilla]" . . . . . 100.00 217 100.00 100.00 2.35e-137 . . . . 4689 1 26 no TPE CDW51396 . "TPA: growth hormone B4 [Pongo abelii]" . . . . . 100.00 217 100.00 100.00 2.03e-137 . . . . 4689 1 27 no TPE CDW51399 . "TPA: growth hormone B2 [Nomascus leucogenys]" . . . . . 100.00 217 98.95 99.48 5.35e-136 . . . . 4689 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Human Growth Hormone' common 4689 1 hGH abbreviation 4689 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 . 4689 1 2 . PRO . 4689 1 3 . THR . 4689 1 4 . ILE . 4689 1 5 . PRO . 4689 1 6 . LEU . 4689 1 7 . SER . 4689 1 8 . ARG . 4689 1 9 . LEU . 4689 1 10 . PHE . 4689 1 11 . ASP . 4689 1 12 . ASN . 4689 1 13 . ALA . 4689 1 14 . MET . 4689 1 15 . LEU . 4689 1 16 . ARG . 4689 1 17 . ALA . 4689 1 18 . HIS . 4689 1 19 . ARG . 4689 1 20 . LEU . 4689 1 21 . HIS . 4689 1 22 . GLN . 4689 1 23 . LEU . 4689 1 24 . ALA . 4689 1 25 . PHE . 4689 1 26 . ASP . 4689 1 27 . THR . 4689 1 28 . TYR . 4689 1 29 . GLN . 4689 1 30 . GLU . 4689 1 31 . PHE . 4689 1 32 . GLU . 4689 1 33 . GLU . 4689 1 34 . ALA . 4689 1 35 . TYR . 4689 1 36 . ILE . 4689 1 37 . PRO . 4689 1 38 . LYS . 4689 1 39 . GLU . 4689 1 40 . GLN . 4689 1 41 . LYS . 4689 1 42 . TYR . 4689 1 43 . SER . 4689 1 44 . PHE . 4689 1 45 . LEU . 4689 1 46 . GLN . 4689 1 47 . ASN . 4689 1 48 . PRO . 4689 1 49 . GLN . 4689 1 50 . THR . 4689 1 51 . SER . 4689 1 52 . LEU . 4689 1 53 . CYS . 4689 1 54 . PHE . 4689 1 55 . SER . 4689 1 56 . GLU . 4689 1 57 . SER . 4689 1 58 . ILE . 4689 1 59 . PRO . 4689 1 60 . THR . 4689 1 61 . PRO . 4689 1 62 . SER . 4689 1 63 . ASN . 4689 1 64 . ARG . 4689 1 65 . GLU . 4689 1 66 . GLU . 4689 1 67 . THR . 4689 1 68 . GLN . 4689 1 69 . GLN . 4689 1 70 . LYS . 4689 1 71 . SER . 4689 1 72 . ASN . 4689 1 73 . LEU . 4689 1 74 . GLU . 4689 1 75 . LEU . 4689 1 76 . LEU . 4689 1 77 . ARG . 4689 1 78 . ILE . 4689 1 79 . SER . 4689 1 80 . LEU . 4689 1 81 . LEU . 4689 1 82 . LEU . 4689 1 83 . ILE . 4689 1 84 . GLN . 4689 1 85 . SER . 4689 1 86 . TRP . 4689 1 87 . LEU . 4689 1 88 . GLU . 4689 1 89 . PRO . 4689 1 90 . VAL . 4689 1 91 . GLN . 4689 1 92 . PHE . 4689 1 93 . LEU . 4689 1 94 . ARG . 4689 1 95 . SER . 4689 1 96 . VAL . 4689 1 97 . PHE . 4689 1 98 . ALA . 4689 1 99 . ASN . 4689 1 100 . SER . 4689 1 101 . LEU . 4689 1 102 . VAL . 4689 1 103 . TYR . 4689 1 104 . GLY . 4689 1 105 . ALA . 4689 1 106 . SER . 4689 1 107 . ASP . 4689 1 108 . SER . 4689 1 109 . ASN . 4689 1 110 . VAL . 4689 1 111 . TYR . 4689 1 112 . ASP . 4689 1 113 . LEU . 4689 1 114 . LEU . 4689 1 115 . LYS . 4689 1 116 . ASP . 4689 1 117 . LEU . 4689 1 118 . GLU . 4689 1 119 . GLU . 4689 1 120 . GLY . 4689 1 121 . ILE . 4689 1 122 . GLN . 4689 1 123 . THR . 4689 1 124 . LEU . 4689 1 125 . MET . 4689 1 126 . GLY . 4689 1 127 . ARG . 4689 1 128 . LEU . 4689 1 129 . GLU . 4689 1 130 . ASP . 4689 1 131 . GLY . 4689 1 132 . SER . 4689 1 133 . PRO . 4689 1 134 . ARG . 4689 1 135 . THR . 4689 1 136 . GLY . 4689 1 137 . GLN . 4689 1 138 . ILE . 4689 1 139 . PHE . 4689 1 140 . LYS . 4689 1 141 . GLN . 4689 1 142 . THR . 4689 1 143 . TYR . 4689 1 144 . SER . 4689 1 145 . LYS . 4689 1 146 . PHE . 4689 1 147 . ASP . 4689 1 148 . THR . 4689 1 149 . ASN . 4689 1 150 . SER . 4689 1 151 . HIS . 4689 1 152 . ASN . 4689 1 153 . ASP . 4689 1 154 . ASP . 4689 1 155 . ALA . 4689 1 156 . LEU . 4689 1 157 . LEU . 4689 1 158 . LYS . 4689 1 159 . ASN . 4689 1 160 . TYR . 4689 1 161 . GLY . 4689 1 162 . LEU . 4689 1 163 . LEU . 4689 1 164 . TYR . 4689 1 165 . CYS . 4689 1 166 . PHE . 4689 1 167 . ARG . 4689 1 168 . LYS . 4689 1 169 . ASP . 4689 1 170 . MET . 4689 1 171 . ASP . 4689 1 172 . LYS . 4689 1 173 . VAL . 4689 1 174 . GLU . 4689 1 175 . THR . 4689 1 176 . PHE . 4689 1 177 . LEU . 4689 1 178 . ARG . 4689 1 179 . ILE . 4689 1 180 . VAL . 4689 1 181 . GLN . 4689 1 182 . CYS . 4689 1 183 . ARG . 4689 1 184 . SER . 4689 1 185 . VAL . 4689 1 186 . GLU . 4689 1 187 . GLY . 4689 1 188 . SER . 4689 1 189 . CYS . 4689 1 190 . GLY . 4689 1 191 . PHE . 4689 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 4689 1 . PRO 2 2 4689 1 . THR 3 3 4689 1 . ILE 4 4 4689 1 . PRO 5 5 4689 1 . LEU 6 6 4689 1 . SER 7 7 4689 1 . ARG 8 8 4689 1 . LEU 9 9 4689 1 . PHE 10 10 4689 1 . ASP 11 11 4689 1 . ASN 12 12 4689 1 . ALA 13 13 4689 1 . MET 14 14 4689 1 . LEU 15 15 4689 1 . ARG 16 16 4689 1 . ALA 17 17 4689 1 . HIS 18 18 4689 1 . ARG 19 19 4689 1 . LEU 20 20 4689 1 . HIS 21 21 4689 1 . GLN 22 22 4689 1 . LEU 23 23 4689 1 . ALA 24 24 4689 1 . PHE 25 25 4689 1 . ASP 26 26 4689 1 . THR 27 27 4689 1 . TYR 28 28 4689 1 . GLN 29 29 4689 1 . GLU 30 30 4689 1 . PHE 31 31 4689 1 . GLU 32 32 4689 1 . GLU 33 33 4689 1 . ALA 34 34 4689 1 . TYR 35 35 4689 1 . ILE 36 36 4689 1 . PRO 37 37 4689 1 . LYS 38 38 4689 1 . GLU 39 39 4689 1 . GLN 40 40 4689 1 . LYS 41 41 4689 1 . TYR 42 42 4689 1 . SER 43 43 4689 1 . PHE 44 44 4689 1 . LEU 45 45 4689 1 . GLN 46 46 4689 1 . ASN 47 47 4689 1 . PRO 48 48 4689 1 . GLN 49 49 4689 1 . THR 50 50 4689 1 . SER 51 51 4689 1 . LEU 52 52 4689 1 . CYS 53 53 4689 1 . PHE 54 54 4689 1 . SER 55 55 4689 1 . GLU 56 56 4689 1 . SER 57 57 4689 1 . ILE 58 58 4689 1 . PRO 59 59 4689 1 . THR 60 60 4689 1 . PRO 61 61 4689 1 . SER 62 62 4689 1 . ASN 63 63 4689 1 . ARG 64 64 4689 1 . GLU 65 65 4689 1 . GLU 66 66 4689 1 . THR 67 67 4689 1 . GLN 68 68 4689 1 . GLN 69 69 4689 1 . LYS 70 70 4689 1 . SER 71 71 4689 1 . ASN 72 72 4689 1 . LEU 73 73 4689 1 . GLU 74 74 4689 1 . LEU 75 75 4689 1 . LEU 76 76 4689 1 . ARG 77 77 4689 1 . ILE 78 78 4689 1 . SER 79 79 4689 1 . LEU 80 80 4689 1 . LEU 81 81 4689 1 . LEU 82 82 4689 1 . ILE 83 83 4689 1 . GLN 84 84 4689 1 . SER 85 85 4689 1 . TRP 86 86 4689 1 . LEU 87 87 4689 1 . GLU 88 88 4689 1 . PRO 89 89 4689 1 . VAL 90 90 4689 1 . GLN 91 91 4689 1 . PHE 92 92 4689 1 . LEU 93 93 4689 1 . ARG 94 94 4689 1 . SER 95 95 4689 1 . VAL 96 96 4689 1 . PHE 97 97 4689 1 . ALA 98 98 4689 1 . ASN 99 99 4689 1 . SER 100 100 4689 1 . LEU 101 101 4689 1 . VAL 102 102 4689 1 . TYR 103 103 4689 1 . GLY 104 104 4689 1 . ALA 105 105 4689 1 . SER 106 106 4689 1 . ASP 107 107 4689 1 . SER 108 108 4689 1 . ASN 109 109 4689 1 . VAL 110 110 4689 1 . TYR 111 111 4689 1 . ASP 112 112 4689 1 . LEU 113 113 4689 1 . LEU 114 114 4689 1 . LYS 115 115 4689 1 . ASP 116 116 4689 1 . LEU 117 117 4689 1 . GLU 118 118 4689 1 . GLU 119 119 4689 1 . GLY 120 120 4689 1 . ILE 121 121 4689 1 . GLN 122 122 4689 1 . THR 123 123 4689 1 . LEU 124 124 4689 1 . MET 125 125 4689 1 . GLY 126 126 4689 1 . ARG 127 127 4689 1 . LEU 128 128 4689 1 . GLU 129 129 4689 1 . ASP 130 130 4689 1 . GLY 131 131 4689 1 . SER 132 132 4689 1 . PRO 133 133 4689 1 . ARG 134 134 4689 1 . THR 135 135 4689 1 . GLY 136 136 4689 1 . GLN 137 137 4689 1 . ILE 138 138 4689 1 . PHE 139 139 4689 1 . LYS 140 140 4689 1 . GLN 141 141 4689 1 . THR 142 142 4689 1 . TYR 143 143 4689 1 . SER 144 144 4689 1 . LYS 145 145 4689 1 . PHE 146 146 4689 1 . ASP 147 147 4689 1 . THR 148 148 4689 1 . ASN 149 149 4689 1 . SER 150 150 4689 1 . HIS 151 151 4689 1 . ASN 152 152 4689 1 . ASP 153 153 4689 1 . ASP 154 154 4689 1 . ALA 155 155 4689 1 . LEU 156 156 4689 1 . LEU 157 157 4689 1 . LYS 158 158 4689 1 . ASN 159 159 4689 1 . TYR 160 160 4689 1 . GLY 161 161 4689 1 . LEU 162 162 4689 1 . LEU 163 163 4689 1 . TYR 164 164 4689 1 . CYS 165 165 4689 1 . PHE 166 166 4689 1 . ARG 167 167 4689 1 . LYS 168 168 4689 1 . ASP 169 169 4689 1 . MET 170 170 4689 1 . ASP 171 171 4689 1 . LYS 172 172 4689 1 . VAL 173 173 4689 1 . GLU 174 174 4689 1 . THR 175 175 4689 1 . PHE 176 176 4689 1 . LEU 177 177 4689 1 . ARG 178 178 4689 1 . ILE 179 179 4689 1 . VAL 180 180 4689 1 . GLN 181 181 4689 1 . CYS 182 182 4689 1 . ARG 183 183 4689 1 . SER 184 184 4689 1 . VAL 185 185 4689 1 . GLU 186 186 4689 1 . GLY 187 187 4689 1 . SER 188 188 4689 1 . CYS 189 189 4689 1 . GLY 190 190 4689 1 . PHE 191 191 4689 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 4689 _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 . . . . . . . . . . . . . . . . . . . . . 4689 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 4689 _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' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4689 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Growth Hormone' '[U-90% 15N; U-95% 13C]' . . 1 $hGH . . 0.9 . . mM . . . . 4689 1 2 H2O . . . . . . . 10 . . % . . . . 4689 1 3 D2O . . . . . . . 90 . . % . . . . 4689 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4689 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Growth Hormone' '[U-90% 15N]' . . 1 $hGH . . 0.9 . . mM . . . . 4689 2 2 H2O . . . . . . . 10 . . % . . . . 4689 2 3 D2O . . . . . . . 90 . . % . . . . 4689 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4689 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Growth Hormone' '[Leu-90% 15N]' . . 1 $hGH . . 0.9 . . mM . . . . 4689 3 2 H2O . . . . . . . 10 . . % . . . . 4689 3 3 D2O . . . . . . . 90 . . % . . . . 4689 3 4 'Sodium phosphate' . . . . . . . 10 . . mM . . . . 4689 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4689 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Growth Hormone' '[U-90% 15N; U-95% 13C]' . . 1 $hGH . . 0.9 . . mM . . . . 4689 4 2 H2O . . . . . . . 0.04 . . % . . . . 4689 4 3 D2O . . . . . . . 99.96 . . % . . . . 4689 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4689 _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 2.7 0.2 pH 4689 1 temperature 305 0.1 K 4689 1 pressure 1 . atm 4689 1 stop_ save_ save_sample_conditions_two _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_two _Sample_condition_list.Entry_ID 4689 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 4689 2 temperature 305 0.1 K 4689 2 pressure 1 . atm 4689 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4689 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityINOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4689 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityINOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 4689 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityINOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4689 _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 AM500 . 500 . . . 4689 1 2 spectrometer_2 Varian UnityINOVA . 500 . . . 4689 1 3 spectrometer_3 Varian UnityINOVA . 750 . . . 4689 1 4 spectrometer_4 Varian UnityINOVA . 800 . . . 4689 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 4689 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4689 _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 H2O protons . . . . ppm 4.69 internal direct 1.0 . . . . . . . . . 4689 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4689 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4689 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4689 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4689 1 . . 2 $sample_2 . 4689 1 . . 3 $sample_3 . 4689 1 . . 4 $sample_4 . 4689 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 HA H 1 4.57 0.02 . 1 . . . . . . . . 4689 1 2 . 1 1 2 2 PRO C C 13 176.4 0.1 . 1 . . . . . . . . 4689 1 3 . 1 1 2 2 PRO CA C 13 63.1 0.1 . 1 . . . . . . . . 4689 1 4 . 1 1 3 3 THR H H 1 8.34 0.02 . 1 . . . . . . . . 4689 1 5 . 1 1 3 3 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 1 6 . 1 1 3 3 THR C C 13 174.5 0.1 . 1 . . . . . . . . 4689 1 7 . 1 1 3 3 THR CA C 13 61.9 0.1 . 1 . . . . . . . . 4689 1 8 . 1 1 3 3 THR N N 15 116.8 0.15 . 1 . . . . . . . . 4689 1 9 . 1 1 4 4 ILE H H 1 8.42 0.02 . 1 . . . . . . . . 4689 1 10 . 1 1 4 4 ILE HA H 1 4.45 0.02 . 1 . . . . . . . . 4689 1 11 . 1 1 4 4 ILE C C 13 174.2 0.1 . 1 . . . . . . . . 4689 1 12 . 1 1 4 4 ILE CA C 13 58.7 0.1 . 1 . . . . . . . . 4689 1 13 . 1 1 4 4 ILE N N 15 126.8 0.15 . 1 . . . . . . . . 4689 1 14 . 1 1 5 5 PRO HA H 1 4.53 0.02 . 1 . . . . . . . . 4689 1 15 . 1 1 5 5 PRO C C 13 177.4 0.1 . 1 . . . . . . . . 4689 1 16 . 1 1 5 5 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 4689 1 17 . 1 1 5 5 PRO N N 15 140.0 0.15 . 1 . . . . . . . . 4689 1 18 . 1 1 6 6 LEU H H 1 8.85 0.02 . 1 . . . . . . . . 4689 1 19 . 1 1 6 6 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 4689 1 20 . 1 1 6 6 LEU C C 13 178.8 0.1 . 1 . . . . . . . . 4689 1 21 . 1 1 6 6 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 22 . 1 1 6 6 LEU N N 15 124.8 0.15 . 1 . . . . . . . . 4689 1 23 . 1 1 7 7 SER H H 1 8.85 0.02 . 1 . . . . . . . . 4689 1 24 . 1 1 7 7 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 4689 1 25 . 1 1 7 7 SER C C 13 176.8 0.1 . 1 . . . . . . . . 4689 1 26 . 1 1 7 7 SER CA C 13 60.8 0.1 . 1 . . . . . . . . 4689 1 27 . 1 1 7 7 SER N N 15 111.7 0.15 . 1 . . . . . . . . 4689 1 28 . 1 1 8 8 ARG H H 1 7.12 0.02 . 1 . . . . . . . . 4689 1 29 . 1 1 8 8 ARG HA H 1 4.23 0.02 . 1 . . . . . . . . 4689 1 30 . 1 1 8 8 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 4689 1 31 . 1 1 8 8 ARG CA C 13 58.1 0.1 . 1 . . . . . . . . 4689 1 32 . 1 1 8 8 ARG N N 15 122.9 0.15 . 1 . . . . . . . . 4689 1 33 . 1 1 9 9 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 4689 1 34 . 1 1 9 9 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 4689 1 35 . 1 1 9 9 LEU C C 13 181.3 0.1 . 1 . . . . . . . . 4689 1 36 . 1 1 9 9 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4689 1 37 . 1 1 9 9 LEU N N 15 119.8 0.15 . 1 . . . . . . . . 4689 1 38 . 1 1 10 10 PHE H H 1 8.54 0.02 . 1 . . . . . . . . 4689 1 39 . 1 1 10 10 PHE HA H 1 4.12 0.02 . 1 . . . . . . . . 4689 1 40 . 1 1 10 10 PHE C C 13 177.9 0.1 . 1 . . . . . . . . 4689 1 41 . 1 1 10 10 PHE CA C 13 63.2 0.1 . 1 . . . . . . . . 4689 1 42 . 1 1 10 10 PHE N N 15 118.2 0.15 . 1 . . . . . . . . 4689 1 43 . 1 1 11 11 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 4689 1 44 . 1 1 11 11 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 4689 1 45 . 1 1 11 11 ASP C C 13 178.1 0.1 . 1 . . . . . . . . 4689 1 46 . 1 1 11 11 ASP CA C 13 56.7 0.1 . 1 . . . . . . . . 4689 1 47 . 1 1 11 11 ASP N N 15 119.3 0.15 . 1 . . . . . . . . 4689 1 48 . 1 1 12 12 ASN H H 1 8.32 0.02 . 1 . . . . . . . . 4689 1 49 . 1 1 12 12 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 4689 1 50 . 1 1 12 12 ASN C C 13 177.4 0.1 . 1 . . . . . . . . 4689 1 51 . 1 1 12 12 ASN CA C 13 55.9 0.1 . 1 . . . . . . . . 4689 1 52 . 1 1 12 12 ASN N N 15 118.3 0.15 . 1 . . . . . . . . 4689 1 53 . 1 1 13 13 ALA H H 1 7.67 0.02 . 1 . . . . . . . . 4689 1 54 . 1 1 13 13 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 4689 1 55 . 1 1 13 13 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 4689 1 56 . 1 1 13 13 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 4689 1 57 . 1 1 13 13 ALA N N 15 122.2 0.15 . 1 . . . . . . . . 4689 1 58 . 1 1 14 14 MET H H 1 8.82 0.02 . 1 . . . . . . . . 4689 1 59 . 1 1 14 14 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 4689 1 60 . 1 1 14 14 MET C C 13 179.4 0.1 . 1 . . . . . . . . 4689 1 61 . 1 1 14 14 MET CA C 13 56.7 0.1 . 1 . . . . . . . . 4689 1 62 . 1 1 14 14 MET N N 15 116.8 0.15 . 1 . . . . . . . . 4689 1 63 . 1 1 15 15 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 4689 1 64 . 1 1 15 15 LEU C C 13 180.5 0.1 . 1 . . . . . . . . 4689 1 65 . 1 1 15 15 LEU CA C 13 58.5 0.1 . 1 . . . . . . . . 4689 1 66 . 1 1 15 15 LEU N N 15 121.5 0.15 . 1 . . . . . . . . 4689 1 67 . 1 1 16 16 ARG H H 1 7.49 0.02 . 1 . . . . . . . . 4689 1 68 . 1 1 16 16 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 4689 1 69 . 1 1 16 16 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 4689 1 70 . 1 1 16 16 ARG CA C 13 59.5 0.1 . 1 . . . . . . . . 4689 1 71 . 1 1 16 16 ARG N N 15 118.2 0.15 . 1 . . . . . . . . 4689 1 72 . 1 1 17 17 ALA H H 1 8.84 0.02 . 1 . . . . . . . . 4689 1 73 . 1 1 17 17 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 4689 1 74 . 1 1 17 17 ALA C C 13 179.6 0.1 . 1 . . . . . . . . 4689 1 75 . 1 1 17 17 ALA CA C 13 55.3 0.1 . 1 . . . . . . . . 4689 1 76 . 1 1 17 17 ALA N N 15 121.8 0.15 . 1 . . . . . . . . 4689 1 77 . 1 1 18 18 HIS H H 1 8.99 0.02 . 1 . . . . . . . . 4689 1 78 . 1 1 18 18 HIS HA H 1 4.44 0.02 . 1 . . . . . . . . 4689 1 79 . 1 1 18 18 HIS C C 13 177.5 0.1 . 1 . . . . . . . . 4689 1 80 . 1 1 18 18 HIS CA C 13 58.9 0.1 . 1 . . . . . . . . 4689 1 81 . 1 1 18 18 HIS N N 15 117.0 0.15 . 1 . . . . . . . . 4689 1 82 . 1 1 19 19 ARG H H 1 8.05 0.02 . 1 . . . . . . . . 4689 1 83 . 1 1 19 19 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 4689 1 84 . 1 1 19 19 ARG C C 13 179.4 0.1 . 1 . . . . . . . . 4689 1 85 . 1 1 19 19 ARG CA C 13 58.8 0.1 . 1 . . . . . . . . 4689 1 86 . 1 1 19 19 ARG N N 15 120.4 0.15 . 1 . . . . . . . . 4689 1 87 . 1 1 20 20 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4689 1 88 . 1 1 20 20 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 4689 1 89 . 1 1 20 20 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 90 . 1 1 20 20 LEU N N 15 120.2 0.15 . 1 . . . . . . . . 4689 1 91 . 1 1 22 22 GLN HA H 1 3.83 0.02 . 1 . . . . . . . . 4689 1 92 . 1 1 22 22 GLN C C 13 177.9 0.1 . 1 . . . . . . . . 4689 1 93 . 1 1 23 23 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 4689 1 94 . 1 1 23 23 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4689 1 95 . 1 1 23 23 LEU C C 13 180.6 0.1 . 1 . . . . . . . . 4689 1 96 . 1 1 23 23 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4689 1 97 . 1 1 23 23 LEU N N 15 119.8 0.15 . 1 . . . . . . . . 4689 1 98 . 1 1 24 24 ALA H H 1 8.64 0.02 . 1 . . . . . . . . 4689 1 99 . 1 1 24 24 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . 4689 1 100 . 1 1 24 24 ALA CA C 13 55.4 0.1 . 1 . . . . . . . . 4689 1 101 . 1 1 24 24 ALA N N 15 123.6 0.15 . 1 . . . . . . . . 4689 1 102 . 1 1 25 25 PHE H H 1 8.42 0.02 . 1 . . . . . . . . 4689 1 103 . 1 1 25 25 PHE HA H 1 3.89 0.02 . 1 . . . . . . . . 4689 1 104 . 1 1 25 25 PHE C C 13 177.6 0.1 . 1 . . . . . . . . 4689 1 105 . 1 1 25 25 PHE CA C 13 62.1 0.1 . 1 . . . . . . . . 4689 1 106 . 1 1 25 25 PHE N N 15 119.0 0.15 . 1 . . . . . . . . 4689 1 107 . 1 1 26 26 ASP H H 1 9.11 0.02 . 1 . . . . . . . . 4689 1 108 . 1 1 26 26 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 4689 1 109 . 1 1 26 26 ASP CA C 13 56.2 0.1 . 1 . . . . . . . . 4689 1 110 . 1 1 26 26 ASP N N 15 119.2 0.15 . 1 . . . . . . . . 4689 1 111 . 1 1 30 30 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 4689 1 112 . 1 1 30 30 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 4689 1 113 . 1 1 31 31 PHE H H 1 8.30 0.02 . 1 . . . . . . . . 4689 1 114 . 1 1 31 31 PHE HA H 1 4.13 0.02 . 1 . . . . . . . . 4689 1 115 . 1 1 31 31 PHE C C 13 177.3 0.1 . 1 . . . . . . . . 4689 1 116 . 1 1 31 31 PHE CA C 13 61.2 0.1 . 1 . . . . . . . . 4689 1 117 . 1 1 31 31 PHE N N 15 121.0 0.15 . 1 . . . . . . . . 4689 1 118 . 1 1 32 32 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 4689 1 119 . 1 1 32 32 GLU HA H 1 3.71 0.02 . 1 . . . . . . . . 4689 1 120 . 1 1 32 32 GLU C C 13 177.8 0.1 . 1 . . . . . . . . 4689 1 121 . 1 1 32 32 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 4689 1 122 . 1 1 32 32 GLU N N 15 117.8 0.15 . 1 . . . . . . . . 4689 1 123 . 1 1 33 33 GLU H H 1 7.88 0.02 . 1 . . . . . . . . 4689 1 124 . 1 1 33 33 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4689 1 125 . 1 1 33 33 GLU C C 13 177.5 0.1 . 1 . . . . . . . . 4689 1 126 . 1 1 33 33 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 4689 1 127 . 1 1 33 33 GLU N N 15 115.8 0.15 . 1 . . . . . . . . 4689 1 128 . 1 1 34 34 ALA H H 1 7.64 0.02 . 1 . . . . . . . . 4689 1 129 . 1 1 34 34 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 4689 1 130 . 1 1 34 34 ALA C C 13 178.9 0.1 . 1 . . . . . . . . 4689 1 131 . 1 1 34 34 ALA CA C 13 53.5 0.1 . 1 . . . . . . . . 4689 1 132 . 1 1 34 34 ALA N N 15 119.5 0.15 . 1 . . . . . . . . 4689 1 133 . 1 1 35 35 TYR H H 1 7.68 0.02 . 1 . . . . . . . . 4689 1 134 . 1 1 35 35 TYR HA H 1 4.49 0.02 . 1 . . . . . . . . 4689 1 135 . 1 1 35 35 TYR C C 13 175.9 0.1 . 1 . . . . . . . . 4689 1 136 . 1 1 35 35 TYR CA C 13 58.3 0.1 . 1 . . . . . . . . 4689 1 137 . 1 1 35 35 TYR N N 15 114.3 0.15 . 1 . . . . . . . . 4689 1 138 . 1 1 36 36 ILE H H 1 7.44 0.02 . 1 . . . . . . . . 4689 1 139 . 1 1 36 36 ILE HA H 1 4.26 0.02 . 1 . . . . . . . . 4689 1 140 . 1 1 36 36 ILE CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 141 . 1 1 36 36 ILE N N 15 120.4 0.15 . 1 . . . . . . . . 4689 1 142 . 1 1 37 37 PRO C C 13 179.4 0.1 . 1 . . . . . . . . 4689 1 143 . 1 1 38 38 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 4689 1 144 . 1 1 38 38 LYS C C 13 177.6 0.1 . 1 . . . . . . . . 4689 1 145 . 1 1 38 38 LYS CA C 13 58.0 0.1 . 1 . . . . . . . . 4689 1 146 . 1 1 39 39 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 4689 1 147 . 1 1 39 39 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 4689 1 148 . 1 1 39 39 GLU C C 13 176.5 0.1 . 1 . . . . . . . . 4689 1 149 . 1 1 39 39 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 4689 1 150 . 1 1 39 39 GLU N N 15 117.2 0.15 . 1 . . . . . . . . 4689 1 151 . 1 1 40 40 GLN H H 1 8.02 0.02 . 1 . . . . . . . . 4689 1 152 . 1 1 40 40 GLN HA H 1 4.27 0.02 . 1 . . . . . . . . 4689 1 153 . 1 1 40 40 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 4689 1 154 . 1 1 40 40 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 4689 1 155 . 1 1 40 40 GLN N N 15 119.1 0.15 . 1 . . . . . . . . 4689 1 156 . 1 1 41 41 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 4689 1 157 . 1 1 41 41 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 4689 1 158 . 1 1 41 41 LYS C C 13 176.8 0.1 . 1 . . . . . . . . 4689 1 159 . 1 1 41 41 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 4689 1 160 . 1 1 41 41 LYS N N 15 120.2 0.15 . 1 . . . . . . . . 4689 1 161 . 1 1 42 42 TYR H H 1 8.00 0.02 . 1 . . . . . . . . 4689 1 162 . 1 1 42 42 TYR HA H 1 4.49 0.02 . 1 . . . . . . . . 4689 1 163 . 1 1 42 42 TYR C C 13 176.6 0.1 . 1 . . . . . . . . 4689 1 164 . 1 1 42 42 TYR CA C 13 58.1 0.1 . 1 . . . . . . . . 4689 1 165 . 1 1 42 42 TYR N N 15 118.3 0.15 . 1 . . . . . . . . 4689 1 166 . 1 1 43 43 SER H H 1 8.05 0.02 . 1 . . . . . . . . 4689 1 167 . 1 1 43 43 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 4689 1 168 . 1 1 43 43 SER C C 13 175.4 0.1 . 1 . . . . . . . . 4689 1 169 . 1 1 43 43 SER CA C 13 59.5 0.1 . 1 . . . . . . . . 4689 1 170 . 1 1 43 43 SER N N 15 116.4 0.15 . 1 . . . . . . . . 4689 1 171 . 1 1 44 44 PHE H H 1 7.89 0.02 . 1 . . . . . . . . 4689 1 172 . 1 1 44 44 PHE HA H 1 4.46 0.02 . 1 . . . . . . . . 4689 1 173 . 1 1 44 44 PHE C C 13 176.1 0.1 . 1 . . . . . . . . 4689 1 174 . 1 1 44 44 PHE CA C 13 58.7 0.1 . 1 . . . . . . . . 4689 1 175 . 1 1 44 44 PHE N N 15 120.9 0.15 . 1 . . . . . . . . 4689 1 176 . 1 1 45 45 LEU H H 1 7.64 0.02 . 1 . . . . . . . . 4689 1 177 . 1 1 45 45 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 4689 1 178 . 1 1 45 45 LEU C C 13 177.3 0.1 . 1 . . . . . . . . 4689 1 179 . 1 1 45 45 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 4689 1 180 . 1 1 45 45 LEU N N 15 120.1 0.15 . 1 . . . . . . . . 4689 1 181 . 1 1 46 46 GLN H H 1 7.73 0.02 . 1 . . . . . . . . 4689 1 182 . 1 1 46 46 GLN HA H 1 4.21 0.02 . 1 . . . . . . . . 4689 1 183 . 1 1 46 46 GLN C C 13 175.4 0.1 . 1 . . . . . . . . 4689 1 184 . 1 1 46 46 GLN CA C 13 55.8 0.1 . 1 . . . . . . . . 4689 1 185 . 1 1 46 46 GLN N N 15 117.9 0.15 . 1 . . . . . . . . 4689 1 186 . 1 1 47 47 ASN H H 1 7.91 0.02 . 1 . . . . . . . . 4689 1 187 . 1 1 47 47 ASN HA H 1 4.90 0.02 . 1 . . . . . . . . 4689 1 188 . 1 1 47 47 ASN CA C 13 51.3 0.1 . 1 . . . . . . . . 4689 1 189 . 1 1 47 47 ASN N N 15 119.0 0.15 . 1 . . . . . . . . 4689 1 190 . 1 1 48 48 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 1 191 . 1 1 48 48 PRO C C 13 177.2 0.1 . 1 . . . . . . . . 4689 1 192 . 1 1 48 48 PRO CA C 13 63.8 0.1 . 1 . . . . . . . . 4689 1 193 . 1 1 49 49 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 4689 1 194 . 1 1 49 49 GLN HA H 1 4.21 0.02 . 1 . . . . . . . . 4689 1 195 . 1 1 49 49 GLN C C 13 176.8 0.1 . 1 . . . . . . . . 4689 1 196 . 1 1 49 49 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 4689 1 197 . 1 1 49 49 GLN N N 15 118.6 0.15 . 1 . . . . . . . . 4689 1 198 . 1 1 50 50 THR H H 1 7.87 0.02 . 1 . . . . . . . . 4689 1 199 . 1 1 50 50 THR HA H 1 4.22 0.02 . 1 . . . . . . . . 4689 1 200 . 1 1 50 50 THR C C 13 175.0 0.1 . 1 . . . . . . . . 4689 1 201 . 1 1 50 50 THR CA C 13 62.7 0.1 . 1 . . . . . . . . 4689 1 202 . 1 1 50 50 THR N N 15 112.8 0.15 . 1 . . . . . . . . 4689 1 203 . 1 1 51 51 SER H H 1 7.84 0.02 . 1 . . . . . . . . 4689 1 204 . 1 1 51 51 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 4689 1 205 . 1 1 51 51 SER C C 13 174.1 0.1 . 1 . . . . . . . . 4689 1 206 . 1 1 51 51 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 4689 1 207 . 1 1 51 51 SER N N 15 116.7 0.15 . 1 . . . . . . . . 4689 1 208 . 1 1 52 52 LEU H H 1 7.44 0.02 . 1 . . . . . . . . 4689 1 209 . 1 1 52 52 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 1 210 . 1 1 52 52 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 4689 1 211 . 1 1 52 52 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 4689 1 212 . 1 1 52 52 LEU N N 15 122.9 0.15 . 1 . . . . . . . . 4689 1 213 . 1 1 53 53 CYS H H 1 8.03 0.02 . 1 . . . . . . . . 4689 1 214 . 1 1 53 53 CYS HA H 1 4.95 0.02 . 1 . . . . . . . . 4689 1 215 . 1 1 53 53 CYS CA C 13 53.1 0.1 . 1 . . . . . . . . 4689 1 216 . 1 1 53 53 CYS N N 15 118.4 0.15 . 1 . . . . . . . . 4689 1 217 . 1 1 55 55 SER C C 13 175.6 0.1 . 1 . . . . . . . . 4689 1 218 . 1 1 56 56 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 4689 1 219 . 1 1 56 56 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4689 1 220 . 1 1 56 56 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4689 1 221 . 1 1 56 56 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 4689 1 222 . 1 1 56 56 GLU N N 15 121.2 0.15 . 1 . . . . . . . . 4689 1 223 . 1 1 57 57 SER H H 1 7.75 0.02 . 1 . . . . . . . . 4689 1 224 . 1 1 57 57 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 1 225 . 1 1 57 57 SER C C 13 174.0 0.1 . 1 . . . . . . . . 4689 1 226 . 1 1 57 57 SER CA C 13 58.9 0.1 . 1 . . . . . . . . 4689 1 227 . 1 1 57 57 SER N N 15 113.2 0.15 . 1 . . . . . . . . 4689 1 228 . 1 1 58 58 ILE H H 1 7.53 0.02 . 1 . . . . . . . . 4689 1 229 . 1 1 58 58 ILE HA H 1 4.33 0.02 . 1 . . . . . . . . 4689 1 230 . 1 1 58 58 ILE CA C 13 58.5 0.1 . 1 . . . . . . . . 4689 1 231 . 1 1 58 58 ILE N N 15 123.8 0.15 . 1 . . . . . . . . 4689 1 232 . 1 1 59 59 PRO C C 13 174.2 0.1 . 1 . . . . . . . . 4689 1 233 . 1 1 60 60 THR H H 1 7.59 0.02 . 1 . . . . . . . . 4689 1 234 . 1 1 60 60 THR HA H 1 4.60 0.02 . 1 . . . . . . . . 4689 1 235 . 1 1 60 60 THR CA C 13 59.3 0.1 . 1 . . . . . . . . 4689 1 236 . 1 1 60 60 THR N N 15 119.4 0.15 . 1 . . . . . . . . 4689 1 237 . 1 1 76 76 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 4689 1 238 . 1 1 77 77 ARG H H 1 8.56 0.02 . 1 . . . . . . . . 4689 1 239 . 1 1 77 77 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 4689 1 240 . 1 1 77 77 ARG C C 13 178.8 0.1 . 1 . . . . . . . . 4689 1 241 . 1 1 77 77 ARG CA C 13 60.0 0.1 . 1 . . . . . . . . 4689 1 242 . 1 1 77 77 ARG N N 15 120.8 0.15 . 1 . . . . . . . . 4689 1 243 . 1 1 78 78 ILE H H 1 8.41 0.02 . 1 . . . . . . . . 4689 1 244 . 1 1 78 78 ILE HA H 1 3.63 0.02 . 1 . . . . . . . . 4689 1 245 . 1 1 78 78 ILE C C 13 177.7 0.1 . 1 . . . . . . . . 4689 1 246 . 1 1 78 78 ILE CA C 13 65.5 0.1 . 1 . . . . . . . . 4689 1 247 . 1 1 78 78 ILE N N 15 118.4 0.15 . 1 . . . . . . . . 4689 1 248 . 1 1 79 79 SER H H 1 7.77 0.02 . 1 . . . . . . . . 4689 1 249 . 1 1 79 79 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 4689 1 250 . 1 1 79 79 SER C C 13 174.9 0.1 . 1 . . . . . . . . 4689 1 251 . 1 1 79 79 SER CA C 13 64.0 0.1 . 1 . . . . . . . . 4689 1 252 . 1 1 79 79 SER N N 15 115.8 0.15 . 1 . . . . . . . . 4689 1 253 . 1 1 80 80 LEU H H 1 8.53 0.02 . 1 . . . . . . . . 4689 1 254 . 1 1 80 80 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 4689 1 255 . 1 1 80 80 LEU C C 13 178.2 0.1 . 1 . . . . . . . . 4689 1 256 . 1 1 80 80 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 257 . 1 1 80 80 LEU N N 15 121.8 0.15 . 1 . . . . . . . . 4689 1 258 . 1 1 81 81 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 4689 1 259 . 1 1 81 81 LEU HA H 1 4.12 0.02 . 1 . . . . . . . . 4689 1 260 . 1 1 81 81 LEU C C 13 180.7 0.1 . 1 . . . . . . . . 4689 1 261 . 1 1 81 81 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 4689 1 262 . 1 1 81 81 LEU N N 15 119.4 0.15 . 1 . . . . . . . . 4689 1 263 . 1 1 82 82 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 4689 1 264 . 1 1 82 82 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 1 265 . 1 1 82 82 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 4689 1 266 . 1 1 82 82 LEU CA C 13 58.4 0.1 . 1 . . . . . . . . 4689 1 267 . 1 1 82 82 LEU N N 15 120.8 0.15 . 1 . . . . . . . . 4689 1 268 . 1 1 83 83 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 4689 1 269 . 1 1 83 83 ILE HA H 1 3.82 0.02 . 1 . . . . . . . . 4689 1 270 . 1 1 83 83 ILE C C 13 178.3 0.1 . 1 . . . . . . . . 4689 1 271 . 1 1 83 83 ILE CA C 13 56.4 0.1 . 1 . . . . . . . . 4689 1 272 . 1 1 83 83 ILE N N 15 118.6 0.15 . 1 . . . . . . . . 4689 1 273 . 1 1 84 84 GLN H H 1 9.02 0.02 . 1 . . . . . . . . 4689 1 274 . 1 1 84 84 GLN HA H 1 3.89 0.02 . 1 . . . . . . . . 4689 1 275 . 1 1 84 84 GLN C C 13 179.5 0.1 . 1 . . . . . . . . 4689 1 276 . 1 1 84 84 GLN CA C 13 59.1 0.1 . 1 . . . . . . . . 4689 1 277 . 1 1 84 84 GLN N N 15 116.8 0.15 . 1 . . . . . . . . 4689 1 278 . 1 1 85 85 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4689 1 279 . 1 1 85 85 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 4689 1 280 . 1 1 85 85 SER CA C 13 61.5 0.1 . 1 . . . . . . . . 4689 1 281 . 1 1 85 85 SER N N 15 114.8 0.15 . 1 . . . . . . . . 4689 1 282 . 1 1 90 90 VAL HA H 1 4.45 0.02 . 1 . . . . . . . . 4689 1 283 . 1 1 90 90 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 4689 1 284 . 1 1 91 91 GLN H H 1 8.40 0.02 . 1 . . . . . . . . 4689 1 285 . 1 1 91 91 GLN HA H 1 4.44 0.02 . 1 . . . . . . . . 4689 1 286 . 1 1 91 91 GLN C C 13 177.4 0.1 . 1 . . . . . . . . 4689 1 287 . 1 1 91 91 GLN CA C 13 58.6 0.1 . 1 . . . . . . . . 4689 1 288 . 1 1 91 91 GLN N N 15 116.2 0.15 . 1 . . . . . . . . 4689 1 289 . 1 1 92 92 PHE H H 1 8.31 0.02 . 1 . . . . . . . . 4689 1 290 . 1 1 92 92 PHE HA H 1 4.08 0.02 . 1 . . . . . . . . 4689 1 291 . 1 1 92 92 PHE C C 13 179.4 0.1 . 1 . . . . . . . . 4689 1 292 . 1 1 92 92 PHE CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 293 . 1 1 92 92 PHE N N 15 120.2 0.15 . 1 . . . . . . . . 4689 1 294 . 1 1 93 93 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4689 1 295 . 1 1 93 93 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 4689 1 296 . 1 1 93 93 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 297 . 1 1 93 93 LEU N N 15 120.2 0.15 . 1 . . . . . . . . 4689 1 298 . 1 1 94 94 ARG H H 1 8.31 0.02 . 1 . . . . . . . . 4689 1 299 . 1 1 94 94 ARG HA H 1 4.08 0.02 . 1 . . . . . . . . 4689 1 300 . 1 1 94 94 ARG C C 13 178.1 0.1 . 1 . . . . . . . . 4689 1 301 . 1 1 94 94 ARG CA C 13 59.3 0.1 . 1 . . . . . . . . 4689 1 302 . 1 1 94 94 ARG N N 15 117.4 0.15 . 1 . . . . . . . . 4689 1 303 . 1 1 95 95 SER H H 1 8.22 0.02 . 1 . . . . . . . . 4689 1 304 . 1 1 95 95 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4689 1 305 . 1 1 95 95 SER C C 13 175.8 0.1 . 1 . . . . . . . . 4689 1 306 . 1 1 95 95 SER CA C 13 60.8 0.1 . 1 . . . . . . . . 4689 1 307 . 1 1 95 95 SER N N 15 113.0 0.15 . 1 . . . . . . . . 4689 1 308 . 1 1 96 96 VAL H H 1 7.49 0.02 . 1 . . . . . . . . 4689 1 309 . 1 1 96 96 VAL HA H 1 3.81 0.02 . 1 . . . . . . . . 4689 1 310 . 1 1 96 96 VAL C C 13 177.1 0.1 . 1 . . . . . . . . 4689 1 311 . 1 1 96 96 VAL CA C 13 64.4 0.1 . 1 . . . . . . . . 4689 1 312 . 1 1 96 96 VAL N N 15 120.4 0.15 . 1 . . . . . . . . 4689 1 313 . 1 1 97 97 PHE H H 1 7.50 0.02 . 1 . . . . . . . . 4689 1 314 . 1 1 97 97 PHE HA H 1 4.58 0.02 . 1 . . . . . . . . 4689 1 315 . 1 1 97 97 PHE C C 13 176.5 0.1 . 1 . . . . . . . . 4689 1 316 . 1 1 97 97 PHE CA C 13 58.7 0.1 . 1 . . . . . . . . 4689 1 317 . 1 1 97 97 PHE N N 15 116.8 0.15 . 1 . . . . . . . . 4689 1 318 . 1 1 98 98 ALA H H 1 7.82 0.02 . 1 . . . . . . . . 4689 1 319 . 1 1 98 98 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 4689 1 320 . 1 1 98 98 ALA C C 13 178.0 0.1 . 1 . . . . . . . . 4689 1 321 . 1 1 98 98 ALA CA C 13 53.8 0.1 . 1 . . . . . . . . 4689 1 322 . 1 1 98 98 ALA N N 15 122.1 0.15 . 1 . . . . . . . . 4689 1 323 . 1 1 99 99 ASN H H 1 8.10 0.02 . 1 . . . . . . . . 4689 1 324 . 1 1 99 99 ASN HA H 1 4.75 0.02 . 1 . . . . . . . . 4689 1 325 . 1 1 99 99 ASN C C 13 175.4 0.1 . 1 . . . . . . . . 4689 1 326 . 1 1 99 99 ASN CA C 13 61.8 0.1 . 1 . . . . . . . . 4689 1 327 . 1 1 99 99 ASN N N 15 115.8 0.15 . 1 . . . . . . . . 4689 1 328 . 1 1 100 100 SER H H 1 7.99 0.02 . 1 . . . . . . . . 4689 1 329 . 1 1 100 100 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4689 1 330 . 1 1 100 100 SER C C 13 174.8 0.1 . 1 . . . . . . . . 4689 1 331 . 1 1 100 100 SER CA C 13 59.0 0.1 . 1 . . . . . . . . 4689 1 332 . 1 1 100 100 SER N N 15 115.4 0.15 . 1 . . . . . . . . 4689 1 333 . 1 1 101 101 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 4689 1 334 . 1 1 101 101 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 1 335 . 1 1 101 101 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 4689 1 336 . 1 1 101 101 LEU CA C 13 55.7 0.1 . 1 . . . . . . . . 4689 1 337 . 1 1 101 101 LEU N N 15 123.0 0.15 . 1 . . . . . . . . 4689 1 338 . 1 1 102 102 VAL H H 1 7.76 0.02 . 1 . . . . . . . . 4689 1 339 . 1 1 102 102 VAL HA H 1 3.96 0.02 . 1 . . . . . . . . 4689 1 340 . 1 1 102 102 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 4689 1 341 . 1 1 102 102 VAL CA C 13 62.6 0.1 . 1 . . . . . . . . 4689 1 342 . 1 1 102 102 VAL N N 15 118.7 0.15 . 1 . . . . . . . . 4689 1 343 . 1 1 103 103 TYR H H 1 8.07 0.02 . 1 . . . . . . . . 4689 1 344 . 1 1 103 103 TYR HA H 1 4.47 0.02 . 1 . . . . . . . . 4689 1 345 . 1 1 103 103 TYR C C 13 176.6 0.1 . 1 . . . . . . . . 4689 1 346 . 1 1 103 103 TYR CA C 13 58.5 0.1 . 1 . . . . . . . . 4689 1 347 . 1 1 103 103 TYR N N 15 123.0 0.15 . 1 . . . . . . . . 4689 1 348 . 1 1 104 104 GLY H H 1 8.12 0.02 . 1 . . . . . . . . 4689 1 349 . 1 1 104 104 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 4689 1 350 . 1 1 104 104 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 4689 1 351 . 1 1 104 104 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 4689 1 352 . 1 1 104 104 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 4689 1 353 . 1 1 104 104 GLY N N 15 110.8 0.15 . 1 . . . . . . . . 4689 1 354 . 1 1 105 105 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 4689 1 355 . 1 1 105 105 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 1 356 . 1 1 105 105 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 4689 1 357 . 1 1 105 105 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 4689 1 358 . 1 1 105 105 ALA N N 15 122.9 0.15 . 1 . . . . . . . . 4689 1 359 . 1 1 106 106 SER H H 1 8.12 0.02 . 1 . . . . . . . . 4689 1 360 . 1 1 106 106 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 4689 1 361 . 1 1 106 106 SER C C 13 174.8 0.1 . 1 . . . . . . . . 4689 1 362 . 1 1 106 106 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 4689 1 363 . 1 1 106 106 SER N N 15 114.1 0.15 . 1 . . . . . . . . 4689 1 364 . 1 1 107 107 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4689 1 365 . 1 1 107 107 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 4689 1 366 . 1 1 107 107 ASP C C 13 175.6 0.1 . 1 . . . . . . . . 4689 1 367 . 1 1 107 107 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 4689 1 368 . 1 1 107 107 ASP N N 15 120.0 0.15 . 1 . . . . . . . . 4689 1 369 . 1 1 108 108 SER H H 1 8.10 0.02 . 1 . . . . . . . . 4689 1 370 . 1 1 108 108 SER C C 13 174.4 0.1 . 1 . . . . . . . . 4689 1 371 . 1 1 108 108 SER CA C 13 59.1 0.1 . 1 . . . . . . . . 4689 1 372 . 1 1 108 108 SER N N 15 114.4 0.15 . 1 . . . . . . . . 4689 1 373 . 1 1 109 109 ASN H H 1 8.17 0.02 . 1 . . . . . . . . 4689 1 374 . 1 1 109 109 ASN HA H 1 4.18 0.02 . 1 . . . . . . . . 4689 1 375 . 1 1 109 109 ASN N N 15 123.0 0.15 . 1 . . . . . . . . 4689 1 376 . 1 1 110 110 VAL HA H 1 3.48 0.02 . 1 . . . . . . . . 4689 1 377 . 1 1 110 110 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 4689 1 378 . 1 1 111 111 TYR H H 1 8.09 0.02 . 1 . . . . . . . . 4689 1 379 . 1 1 111 111 TYR HA H 1 3.99 0.02 . 1 . . . . . . . . 4689 1 380 . 1 1 111 111 TYR C C 13 176.4 0.1 . 1 . . . . . . . . 4689 1 381 . 1 1 111 111 TYR CA C 13 62.2 0.1 . 1 . . . . . . . . 4689 1 382 . 1 1 111 111 TYR N N 15 120.4 0.15 . 1 . . . . . . . . 4689 1 383 . 1 1 112 112 ASP H H 1 8.05 0.02 . 1 . . . . . . . . 4689 1 384 . 1 1 112 112 ASP HA H 1 4.19 0.02 . 1 . . . . . . . . 4689 1 385 . 1 1 112 112 ASP C C 13 177.9 0.1 . 1 . . . . . . . . 4689 1 386 . 1 1 112 112 ASP CA C 13 56.1 0.1 . 1 . . . . . . . . 4689 1 387 . 1 1 112 112 ASP N N 15 117.0 0.15 . 1 . . . . . . . . 4689 1 388 . 1 1 113 113 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 4689 1 389 . 1 1 113 113 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4689 1 390 . 1 1 113 113 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 391 . 1 1 113 113 LEU N N 15 120.2 0.15 . 1 . . . . . . . . 4689 1 392 . 1 1 114 114 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4689 1 393 . 1 1 114 114 LEU C C 13 178.7 0.1 . 1 . . . . . . . . 4689 1 394 . 1 1 115 115 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 4689 1 395 . 1 1 115 115 LYS HA H 1 3.87 0.02 . 1 . . . . . . . . 4689 1 396 . 1 1 115 115 LYS C C 13 179.1 0.1 . 1 . . . . . . . . 4689 1 397 . 1 1 115 115 LYS CA C 13 58.7 0.1 . 1 . . . . . . . . 4689 1 398 . 1 1 115 115 LYS N N 15 119.7 0.15 . 1 . . . . . . . . 4689 1 399 . 1 1 116 116 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 4689 1 400 . 1 1 116 116 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 4689 1 401 . 1 1 116 116 ASP C C 13 179.5 0.1 . 1 . . . . . . . . 4689 1 402 . 1 1 116 116 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 4689 1 403 . 1 1 116 116 ASP N N 15 118.7 0.15 . 1 . . . . . . . . 4689 1 404 . 1 1 117 117 LEU H H 1 8.49 0.02 . 1 . . . . . . . . 4689 1 405 . 1 1 117 117 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 1 406 . 1 1 117 117 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 4689 1 407 . 1 1 117 117 LEU CA C 13 57.6 0.1 . 1 . . . . . . . . 4689 1 408 . 1 1 117 117 LEU N N 15 123.8 0.15 . 1 . . . . . . . . 4689 1 409 . 1 1 118 118 GLU H H 1 8.91 0.02 . 1 . . . . . . . . 4689 1 410 . 1 1 118 118 GLU HA H 1 3.67 0.02 . 1 . . . . . . . . 4689 1 411 . 1 1 118 118 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4689 1 412 . 1 1 118 118 GLU CA C 13 60.0 0.1 . 1 . . . . . . . . 4689 1 413 . 1 1 118 118 GLU N N 15 120.4 0.15 . 1 . . . . . . . . 4689 1 414 . 1 1 119 119 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 4689 1 415 . 1 1 119 119 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 4689 1 416 . 1 1 119 119 GLU C C 13 179.5 0.1 . 1 . . . . . . . . 4689 1 417 . 1 1 119 119 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . 4689 1 418 . 1 1 119 119 GLU N N 15 117.2 0.15 . 1 . . . . . . . . 4689 1 419 . 1 1 120 120 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 4689 1 420 . 1 1 120 120 GLY HA2 H 1 3.87 0.02 . 2 . . . . . . . . 4689 1 421 . 1 1 120 120 GLY C C 13 176.4 0.1 . 1 . . . . . . . . 4689 1 422 . 1 1 120 120 GLY CA C 13 47.3 0.1 . 1 . . . . . . . . 4689 1 423 . 1 1 120 120 GLY N N 15 109.4 0.15 . 1 . . . . . . . . 4689 1 424 . 1 1 121 121 ILE H H 1 8.85 0.02 . 1 . . . . . . . . 4689 1 425 . 1 1 121 121 ILE HA H 1 3.61 0.02 . 1 . . . . . . . . 4689 1 426 . 1 1 121 121 ILE C C 13 181.0 0.1 . 1 . . . . . . . . 4689 1 427 . 1 1 121 121 ILE CA C 13 65.9 0.1 . 1 . . . . . . . . 4689 1 428 . 1 1 121 121 ILE N N 15 122.6 0.15 . 1 . . . . . . . . 4689 1 429 . 1 1 122 122 GLN H H 1 8.45 0.02 . 1 . . . . . . . . 4689 1 430 . 1 1 122 122 GLN HA H 1 4.00 0.02 . 1 . . . . . . . . 4689 1 431 . 1 1 122 122 GLN C C 13 179.6 0.1 . 1 . . . . . . . . 4689 1 432 . 1 1 122 122 GLN CA C 13 60.1 0.1 . 1 . . . . . . . . 4689 1 433 . 1 1 122 122 GLN N N 15 120.2 0.15 . 1 . . . . . . . . 4689 1 434 . 1 1 123 123 THR H H 1 8.31 0.02 . 1 . . . . . . . . 4689 1 435 . 1 1 123 123 THR HA H 1 3.95 0.02 . 1 . . . . . . . . 4689 1 436 . 1 1 123 123 THR C C 13 177.0 0.1 . 1 . . . . . . . . 4689 1 437 . 1 1 123 123 THR CA C 13 66.7 0.1 . 1 . . . . . . . . 4689 1 438 . 1 1 123 123 THR N N 15 117.7 0.15 . 1 . . . . . . . . 4689 1 439 . 1 1 124 124 LEU H H 1 7.98 0.02 . 1 . . . . . . . . 4689 1 440 . 1 1 124 124 LEU HA H 1 3.62 0.02 . 1 . . . . . . . . 4689 1 441 . 1 1 124 124 LEU C C 13 178.2 0.1 . 1 . . . . . . . . 4689 1 442 . 1 1 124 124 LEU CA C 13 58.5 0.1 . 1 . . . . . . . . 4689 1 443 . 1 1 124 124 LEU N N 15 123.4 0.15 . 1 . . . . . . . . 4689 1 444 . 1 1 125 125 MET H H 1 8.62 0.02 . 1 . . . . . . . . 4689 1 445 . 1 1 125 125 MET HA H 1 3.67 0.02 . 1 . . . . . . . . 4689 1 446 . 1 1 125 125 MET C C 13 177.9 0.1 . 1 . . . . . . . . 4689 1 447 . 1 1 125 125 MET CA C 13 60.3 0.1 . 1 . . . . . . . . 4689 1 448 . 1 1 125 125 MET N N 15 117.1 0.15 . 1 . . . . . . . . 4689 1 449 . 1 1 126 126 GLY H H 1 7.81 0.02 . 1 . . . . . . . . 4689 1 450 . 1 1 126 126 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 4689 1 451 . 1 1 126 126 GLY C C 13 176.2 0.1 . 1 . . . . . . . . 4689 1 452 . 1 1 126 126 GLY CA C 13 46.9 0.1 . 1 . . . . . . . . 4689 1 453 . 1 1 126 126 GLY N N 15 103.9 0.15 . 1 . . . . . . . . 4689 1 454 . 1 1 127 127 ARG H H 1 7.61 0.02 . 1 . . . . . . . . 4689 1 455 . 1 1 127 127 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4689 1 456 . 1 1 127 127 ARG C C 13 178.4 0.1 . 1 . . . . . . . . 4689 1 457 . 1 1 127 127 ARG CA C 13 56.1 0.1 . 1 . . . . . . . . 4689 1 458 . 1 1 127 127 ARG N N 15 118.9 0.15 . 1 . . . . . . . . 4689 1 459 . 1 1 128 128 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 4689 1 460 . 1 1 128 128 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 4689 1 461 . 1 1 128 128 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 4689 1 462 . 1 1 129 129 GLU H H 1 7.81 0.02 . 1 . . . . . . . . 4689 1 463 . 1 1 129 129 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 1 464 . 1 1 129 129 GLU C C 13 175.7 0.1 . 1 . . . . . . . . 4689 1 465 . 1 1 129 129 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 4689 1 466 . 1 1 129 129 GLU N N 15 117.8 0.15 . 1 . . . . . . . . 4689 1 467 . 1 1 130 130 ASP H H 1 8.13 0.02 . 1 . . . . . . . . 4689 1 468 . 1 1 130 130 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 4689 1 469 . 1 1 130 130 ASP C C 13 175.6 0.1 . 1 . . . . . . . . 4689 1 470 . 1 1 130 130 ASP CA C 13 53.5 0.1 . 1 . . . . . . . . 4689 1 471 . 1 1 130 130 ASP N N 15 119.0 0.15 . 1 . . . . . . . . 4689 1 472 . 1 1 131 131 GLY H H 1 8.36 0.02 . 1 . . . . . . . . 4689 1 473 . 1 1 131 131 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 4689 1 474 . 1 1 131 131 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 4689 1 475 . 1 1 131 131 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 4689 1 476 . 1 1 131 131 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4689 1 477 . 1 1 131 131 GLY N N 15 108.8 0.15 . 1 . . . . . . . . 4689 1 478 . 1 1 132 132 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4689 1 479 . 1 1 132 132 SER HA H 1 4.75 0.02 . 1 . . . . . . . . 4689 1 480 . 1 1 132 132 SER C C 13 172.7 0.1 . 1 . . . . . . . . 4689 1 481 . 1 1 132 132 SER CA C 13 56.4 0.1 . 1 . . . . . . . . 4689 1 482 . 1 1 132 132 SER N N 15 116.5 0.15 . 1 . . . . . . . . 4689 1 483 . 1 1 133 133 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4689 1 484 . 1 1 133 133 PRO C C 13 177.0 0.1 . 1 . . . . . . . . 4689 1 485 . 1 1 133 133 PRO CA C 13 63.1 0.1 . 1 . . . . . . . . 4689 1 486 . 1 1 133 133 PRO N N 15 137.6 0.15 . 1 . . . . . . . . 4689 1 487 . 1 1 134 134 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4689 1 488 . 1 1 134 134 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4689 1 489 . 1 1 134 134 ARG C C 13 176.5 0.1 . 1 . . . . . . . . 4689 1 490 . 1 1 134 134 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 4689 1 491 . 1 1 134 134 ARG N N 15 121.4 0.15 . 1 . . . . . . . . 4689 1 492 . 1 1 135 135 THR H H 1 8.01 0.02 . 1 . . . . . . . . 4689 1 493 . 1 1 135 135 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4689 1 494 . 1 1 135 135 THR C C 13 175.0 0.1 . 1 . . . . . . . . 4689 1 495 . 1 1 135 135 THR CA C 13 61.7 0.1 . 1 . . . . . . . . 4689 1 496 . 1 1 135 135 THR N N 15 114.5 0.15 . 1 . . . . . . . . 4689 1 497 . 1 1 136 136 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 4689 1 498 . 1 1 136 136 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 4689 1 499 . 1 1 136 136 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 4689 1 500 . 1 1 136 136 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4689 1 501 . 1 1 136 136 GLY N N 15 110.7 0.15 . 1 . . . . . . . . 4689 1 502 . 1 1 137 137 GLN H H 1 8.21 0.02 . 1 . . . . . . . . 4689 1 503 . 1 1 137 137 GLN HA H 1 4.23 0.02 . 1 . . . . . . . . 4689 1 504 . 1 1 137 137 GLN C C 13 175.9 0.1 . 1 . . . . . . . . 4689 1 505 . 1 1 137 137 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 4689 1 506 . 1 1 137 137 GLN N N 15 120.5 0.15 . 1 . . . . . . . . 4689 1 507 . 1 1 138 138 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 4689 1 508 . 1 1 138 138 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 4689 1 509 . 1 1 138 138 ILE C C 13 175.7 0.1 . 1 . . . . . . . . 4689 1 510 . 1 1 138 138 ILE CA C 13 58.5 0.1 . 1 . . . . . . . . 4689 1 511 . 1 1 138 138 ILE N N 15 121.6 0.15 . 1 . . . . . . . . 4689 1 512 . 1 1 139 139 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 4689 1 513 . 1 1 139 139 PHE HA H 1 4.58 0.02 . 1 . . . . . . . . 4689 1 514 . 1 1 139 139 PHE C C 13 175.2 0.1 . 1 . . . . . . . . 4689 1 515 . 1 1 139 139 PHE CA C 13 57.6 0.1 . 1 . . . . . . . . 4689 1 516 . 1 1 139 139 PHE N N 15 124.0 0.15 . 1 . . . . . . . . 4689 1 517 . 1 1 140 140 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 4689 1 518 . 1 1 140 140 LYS C C 13 175.7 0.1 . 1 . . . . . . . . 4689 1 519 . 1 1 140 140 LYS CA C 13 56.0 0.1 . 1 . . . . . . . . 4689 1 520 . 1 1 140 140 LYS N N 15 123.2 0.15 . 1 . . . . . . . . 4689 1 521 . 1 1 141 141 GLN H H 1 7.91 0.02 . 1 . . . . . . . . 4689 1 522 . 1 1 141 141 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 4689 1 523 . 1 1 141 141 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 4689 1 524 . 1 1 141 141 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 4689 1 525 . 1 1 141 141 GLN N N 15 121.6 0.15 . 1 . . . . . . . . 4689 1 526 . 1 1 142 142 THR H H 1 8.10 0.02 . 1 . . . . . . . . 4689 1 527 . 1 1 142 142 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 4689 1 528 . 1 1 142 142 THR C C 13 174.0 0.1 . 1 . . . . . . . . 4689 1 529 . 1 1 142 142 THR CA C 13 61.6 0.1 . 1 . . . . . . . . 4689 1 530 . 1 1 142 142 THR N N 15 115.8 0.15 . 1 . . . . . . . . 4689 1 531 . 1 1 143 143 TYR H H 1 8.18 0.02 . 1 . . . . . . . . 4689 1 532 . 1 1 143 143 TYR HA H 1 4.48 0.02 . 1 . . . . . . . . 4689 1 533 . 1 1 143 143 TYR C C 13 175.7 0.1 . 1 . . . . . . . . 4689 1 534 . 1 1 143 143 TYR CA C 13 57.7 0.1 . 1 . . . . . . . . 4689 1 535 . 1 1 143 143 TYR N N 15 122.4 0.15 . 1 . . . . . . . . 4689 1 536 . 1 1 144 144 SER H H 1 8.10 0.02 . 1 . . . . . . . . 4689 1 537 . 1 1 144 144 SER HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 1 538 . 1 1 144 144 SER CA C 13 58.3 0.1 . 1 . . . . . . . . 4689 1 539 . 1 1 144 144 SER N N 15 116.8 0.15 . 1 . . . . . . . . 4689 1 540 . 1 1 149 149 ASN HA H 1 4.20 0.02 . 1 . . . . . . . . 4689 1 541 . 1 1 149 149 ASN C C 13 175.3 0.1 . 1 . . . . . . . . 4689 1 542 . 1 1 150 150 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4689 1 543 . 1 1 150 150 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4689 1 544 . 1 1 150 150 SER C C 13 174.5 0.1 . 1 . . . . . . . . 4689 1 545 . 1 1 150 150 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 4689 1 546 . 1 1 150 150 SER N N 15 115.8 0.15 . 1 . . . . . . . . 4689 1 547 . 1 1 151 151 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 4689 1 548 . 1 1 151 151 HIS HA H 1 4.63 0.02 . 1 . . . . . . . . 4689 1 549 . 1 1 151 151 HIS C C 13 174.2 0.1 . 1 . . . . . . . . 4689 1 550 . 1 1 151 151 HIS CA C 13 55.6 0.1 . 1 . . . . . . . . 4689 1 551 . 1 1 151 151 HIS N N 15 119.6 0.15 . 1 . . . . . . . . 4689 1 552 . 1 1 152 152 ASN H H 1 8.14 0.02 . 1 . . . . . . . . 4689 1 553 . 1 1 152 152 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4689 1 554 . 1 1 152 152 ASN CA C 13 53.2 0.1 . 1 . . . . . . . . 4689 1 555 . 1 1 152 152 ASN N N 15 118.4 0.15 . 1 . . . . . . . . 4689 1 556 . 1 1 153 153 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 4689 1 557 . 1 1 153 153 ASP CA C 13 54.0 0.1 . 1 . . . . . . . . 4689 1 558 . 1 1 154 154 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 4689 1 559 . 1 1 154 154 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 4689 1 560 . 1 1 154 154 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 4689 1 561 . 1 1 154 154 ASP CA C 13 53.8 0.1 . 1 . . . . . . . . 4689 1 562 . 1 1 154 154 ASP N N 15 119.0 0.15 . 1 . . . . . . . . 4689 1 563 . 1 1 155 155 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 4689 1 564 . 1 1 155 155 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 4689 1 565 . 1 1 155 155 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 4689 1 566 . 1 1 155 155 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 4689 1 567 . 1 1 155 155 ALA N N 15 124.7 0.15 . 1 . . . . . . . . 4689 1 568 . 1 1 156 156 LEU H H 1 7.98 0.02 . 1 . . . . . . . . 4689 1 569 . 1 1 156 156 LEU HA H 1 4.19 0.02 . 1 . . . . . . . . 4689 1 570 . 1 1 156 156 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 4689 1 571 . 1 1 156 156 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 4689 1 572 . 1 1 156 156 LEU N N 15 118.6 0.15 . 1 . . . . . . . . 4689 1 573 . 1 1 157 157 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 4689 1 574 . 1 1 157 157 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4689 1 575 . 1 1 157 157 LEU C C 13 179.6 0.1 . 1 . . . . . . . . 4689 1 576 . 1 1 157 157 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 4689 1 577 . 1 1 157 157 LEU N N 15 117.8 0.15 . 1 . . . . . . . . 4689 1 578 . 1 1 158 158 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 4689 1 579 . 1 1 158 158 LYS CA C 13 58.7 0.1 . 1 . . . . . . . . 4689 1 580 . 1 1 158 158 LYS N N 15 120.6 0.15 . 1 . . . . . . . . 4689 1 581 . 1 1 160 160 TYR HA H 1 3.97 0.02 . 1 . . . . . . . . 4689 1 582 . 1 1 160 160 TYR C C 13 177.3 0.1 . 1 . . . . . . . . 4689 1 583 . 1 1 160 160 TYR CA C 13 59.8 0.1 . 1 . . . . . . . . 4689 1 584 . 1 1 161 161 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 4689 1 585 . 1 1 161 161 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 4689 1 586 . 1 1 161 161 GLY HA3 H 1 3.73 0.02 . 2 . . . . . . . . 4689 1 587 . 1 1 161 161 GLY C C 13 176.4 0.1 . 1 . . . . . . . . 4689 1 588 . 1 1 161 161 GLY CA C 13 47.4 0.1 . 1 . . . . . . . . 4689 1 589 . 1 1 161 161 GLY N N 15 105.5 0.15 . 1 . . . . . . . . 4689 1 590 . 1 1 162 162 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 4689 1 591 . 1 1 162 162 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 4689 1 592 . 1 1 162 162 LEU CA C 13 58.3 0.1 . 1 . . . . . . . . 4689 1 593 . 1 1 162 162 LEU N N 15 122.1 0.15 . 1 . . . . . . . . 4689 1 594 . 1 1 170 170 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 4689 1 595 . 1 1 170 170 MET C C 13 179.4 0.1 . 1 . . . . . . . . 4689 1 596 . 1 1 170 170 MET CA C 13 56.0 0.1 . 1 . . . . . . . . 4689 1 597 . 1 1 171 171 ASP H H 1 7.84 0.02 . 1 . . . . . . . . 4689 1 598 . 1 1 171 171 ASP HA H 1 4.02 0.02 . 1 . . . . . . . . 4689 1 599 . 1 1 171 171 ASP C C 13 178.2 0.1 . 1 . . . . . . . . 4689 1 600 . 1 1 171 171 ASP CA C 13 56.5 0.1 . 1 . . . . . . . . 4689 1 601 . 1 1 171 171 ASP N N 15 120.2 0.15 . 1 . . . . . . . . 4689 1 602 . 1 1 172 172 LYS H H 1 7.63 0.02 . 1 . . . . . . . . 4689 1 603 . 1 1 172 172 LYS HA H 1 3.50 0.02 . 1 . . . . . . . . 4689 1 604 . 1 1 172 172 LYS C C 13 176.8 0.1 . 1 . . . . . . . . 4689 1 605 . 1 1 172 172 LYS CA C 13 59.1 0.1 . 1 . . . . . . . . 4689 1 606 . 1 1 172 172 LYS N N 15 121.5 0.15 . 1 . . . . . . . . 4689 1 607 . 1 1 173 173 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 4689 1 608 . 1 1 173 173 VAL HA H 1 3.49 0.02 . 1 . . . . . . . . 4689 1 609 . 1 1 173 173 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 4689 1 610 . 1 1 173 173 VAL CA C 13 67.2 0.1 . 1 . . . . . . . . 4689 1 611 . 1 1 173 173 VAL N N 15 117.6 0.15 . 1 . . . . . . . . 4689 1 612 . 1 1 174 174 GLU H H 1 7.74 0.02 . 1 . . . . . . . . 4689 1 613 . 1 1 174 174 GLU HA H 1 3.68 0.02 . 1 . . . . . . . . 4689 1 614 . 1 1 174 174 GLU C C 13 177.3 0.1 . 1 . . . . . . . . 4689 1 615 . 1 1 174 174 GLU CA C 13 60.2 0.1 . 1 . . . . . . . . 4689 1 616 . 1 1 174 174 GLU N N 15 116.9 0.15 . 1 . . . . . . . . 4689 1 617 . 1 1 175 175 THR H H 1 7.84 0.02 . 1 . . . . . . . . 4689 1 618 . 1 1 175 175 THR HA H 1 4.09 0.02 . 1 . . . . . . . . 4689 1 619 . 1 1 175 175 THR C C 13 175.7 0.1 . 1 . . . . . . . . 4689 1 620 . 1 1 175 175 THR CA C 13 66.7 0.1 . 1 . . . . . . . . 4689 1 621 . 1 1 175 175 THR N N 15 115.2 0.15 . 1 . . . . . . . . 4689 1 622 . 1 1 176 176 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 4689 1 623 . 1 1 176 176 PHE HA H 1 4.57 0.02 . 1 . . . . . . . . 4689 1 624 . 1 1 176 176 PHE C C 13 178.2 0.1 . 1 . . . . . . . . 4689 1 625 . 1 1 176 176 PHE CA C 13 57.6 0.1 . 1 . . . . . . . . 4689 1 626 . 1 1 176 176 PHE N N 15 129.2 0.15 . 1 . . . . . . . . 4689 1 627 . 1 1 177 177 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 4689 1 628 . 1 1 177 177 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 4689 1 629 . 1 1 177 177 LEU C C 13 178.2 0.1 . 1 . . . . . . . . 4689 1 630 . 1 1 177 177 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4689 1 631 . 1 1 177 177 LEU N N 15 118.5 0.15 . 1 . . . . . . . . 4689 1 632 . 1 1 178 178 ARG H H 1 7.98 0.02 . 1 . . . . . . . . 4689 1 633 . 1 1 178 178 ARG HA H 1 4.04 0.02 . 1 . . . . . . . . 4689 1 634 . 1 1 178 178 ARG C C 13 178.4 0.1 . 1 . . . . . . . . 4689 1 635 . 1 1 178 178 ARG CA C 13 58.8 0.1 . 1 . . . . . . . . 4689 1 636 . 1 1 178 178 ARG N N 15 119.3 0.15 . 1 . . . . . . . . 4689 1 637 . 1 1 179 179 ILE H H 1 7.90 0.02 . 1 . . . . . . . . 4689 1 638 . 1 1 179 179 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 4689 1 639 . 1 1 179 179 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 4689 1 640 . 1 1 179 179 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 4689 1 641 . 1 1 179 179 ILE N N 15 119.5 0.15 . 1 . . . . . . . . 4689 1 642 . 1 1 180 180 VAL H H 1 7.77 0.02 . 1 . . . . . . . . 4689 1 643 . 1 1 180 180 VAL HA H 1 3.47 0.02 . 1 . . . . . . . . 4689 1 644 . 1 1 180 180 VAL C C 13 178.6 0.1 . 1 . . . . . . . . 4689 1 645 . 1 1 180 180 VAL CA C 13 66.6 0.1 . 1 . . . . . . . . 4689 1 646 . 1 1 180 180 VAL N N 15 118.3 0.15 . 1 . . . . . . . . 4689 1 647 . 1 1 181 181 GLN H H 1 8.76 0.02 . 1 . . . . . . . . 4689 1 648 . 1 1 181 181 GLN HA H 1 4.42 0.02 . 1 . . . . . . . . 4689 1 649 . 1 1 181 181 GLN C C 13 177.6 0.1 . 1 . . . . . . . . 4689 1 650 . 1 1 181 181 GLN CA C 13 59.6 0.1 . 1 . . . . . . . . 4689 1 651 . 1 1 181 181 GLN N N 15 123.9 0.15 . 1 . . . . . . . . 4689 1 652 . 1 1 182 182 CYS H H 1 8.44 0.02 . 1 . . . . . . . . 4689 1 653 . 1 1 182 182 CYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 1 654 . 1 1 182 182 CYS C C 13 176.9 0.1 . 1 . . . . . . . . 4689 1 655 . 1 1 182 182 CYS CA C 13 57.7 0.1 . 1 . . . . . . . . 4689 1 656 . 1 1 182 182 CYS N N 15 116.0 0.15 . 1 . . . . . . . . 4689 1 657 . 1 1 183 183 ARG H H 1 7.83 0.02 . 1 . . . . . . . . 4689 1 658 . 1 1 183 183 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4689 1 659 . 1 1 183 183 ARG C C 13 177.9 0.1 . 1 . . . . . . . . 4689 1 660 . 1 1 183 183 ARG CA C 13 58.0 0.1 . 1 . . . . . . . . 4689 1 661 . 1 1 183 183 ARG N N 15 116.2 0.15 . 1 . . . . . . . . 4689 1 662 . 1 1 184 184 SER H H 1 7.81 0.02 . 1 . . . . . . . . 4689 1 663 . 1 1 184 184 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4689 1 664 . 1 1 184 184 SER C C 13 174.0 0.1 . 1 . . . . . . . . 4689 1 665 . 1 1 184 184 SER CA C 13 60.7 0.1 . 1 . . . . . . . . 4689 1 666 . 1 1 184 184 SER N N 15 113.5 0.15 . 1 . . . . . . . . 4689 1 667 . 1 1 185 185 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 4689 1 668 . 1 1 185 185 VAL HA H 1 4.28 0.02 . 1 . . . . . . . . 4689 1 669 . 1 1 185 185 VAL C C 13 175.7 0.1 . 1 . . . . . . . . 4689 1 670 . 1 1 185 185 VAL CA C 13 65.3 0.1 . 1 . . . . . . . . 4689 1 671 . 1 1 185 185 VAL N N 15 119.7 0.15 . 1 . . . . . . . . 4689 1 672 . 1 1 186 186 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 4689 1 673 . 1 1 186 186 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4689 1 674 . 1 1 186 186 GLU C C 13 177.0 0.1 . 1 . . . . . . . . 4689 1 675 . 1 1 186 186 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 4689 1 676 . 1 1 186 186 GLU N N 15 124.4 0.15 . 1 . . . . . . . . 4689 1 677 . 1 1 187 187 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 4689 1 678 . 1 1 187 187 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . 4689 1 679 . 1 1 187 187 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 4689 1 680 . 1 1 187 187 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 4689 1 681 . 1 1 187 187 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 4689 1 682 . 1 1 187 187 GLY N N 15 111.2 0.15 . 1 . . . . . . . . 4689 1 683 . 1 1 188 188 SER H H 1 8.01 0.02 . 1 . . . . . . . . 4689 1 684 . 1 1 188 188 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 4689 1 685 . 1 1 188 188 SER C C 13 175.0 0.1 . 1 . . . . . . . . 4689 1 686 . 1 1 188 188 SER CA C 13 59.0 0.1 . 1 . . . . . . . . 4689 1 687 . 1 1 188 188 SER N N 15 115.1 0.15 . 1 . . . . . . . . 4689 1 688 . 1 1 189 189 CYS H H 1 8.45 0.02 . 1 . . . . . . . . 4689 1 689 . 1 1 189 189 CYS HA H 1 4.58 0.02 . 1 . . . . . . . . 4689 1 690 . 1 1 189 189 CYS C C 13 174.4 0.1 . 1 . . . . . . . . 4689 1 691 . 1 1 189 189 CYS CA C 13 55.4 0.1 . 1 . . . . . . . . 4689 1 692 . 1 1 189 189 CYS N N 15 119.8 0.15 . 1 . . . . . . . . 4689 1 693 . 1 1 190 190 GLY H H 1 8.14 0.02 . 1 . . . . . . . . 4689 1 694 . 1 1 190 190 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 4689 1 695 . 1 1 190 190 GLY C C 13 173.0 0.1 . 1 . . . . . . . . 4689 1 696 . 1 1 190 190 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4689 1 697 . 1 1 190 190 GLY N N 15 109.4 0.15 . 1 . . . . . . . . 4689 1 698 . 1 1 191 191 PHE H H 1 7.73 0.02 . 1 . . . . . . . . 4689 1 699 . 1 1 191 191 PHE HA H 1 4.52 0.02 . 1 . . . . . . . . 4689 1 700 . 1 1 191 191 PHE C C 13 178.8 0.1 . 1 . . . . . . . . 4689 1 701 . 1 1 191 191 PHE CA C 13 57.6 0.1 . 1 . . . . . . . . 4689 1 702 . 1 1 191 191 PHE N N 15 121.9 0.15 . 1 . . . . . . . . 4689 1 stop_ save_ save_chemical_shift_assignment_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_two _Assigned_chem_shift_list.Entry_ID 4689 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_two _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4689 2 . . 2 $sample_2 . 4689 2 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 HA H 1 4.58 0.02 . 1 . . . . . . . . 4689 2 2 . 1 1 2 2 PRO CA C 13 63.20 0.10 . 1 . . . . . . . . 4689 2 3 . 1 1 3 3 THR H H 1 8.27 0.02 . 1 . . . . . . . . 4689 2 4 . 1 1 3 3 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 4689 2 5 . 1 1 3 3 THR CA C 13 61.90 0.10 . 1 . . . . . . . . 4689 2 6 . 1 1 3 3 THR N N 15 115.80 0.15 . 1 . . . . . . . . 4689 2 7 . 1 1 4 4 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 4689 2 8 . 1 1 4 4 ILE HA H 1 4.43 0.02 . 1 . . . . . . . . 4689 2 9 . 1 1 4 4 ILE CA C 13 58.80 0.10 . 1 . . . . . . . . 4689 2 10 . 1 1 4 4 ILE N N 15 126.20 0.15 . 1 . . . . . . . . 4689 2 11 . 1 1 5 5 PRO HA H 1 4.49 0.02 . 1 . . . . . . . . 4689 2 12 . 1 1 5 5 PRO CA C 13 63.00 0.10 . 1 . . . . . . . . 4689 2 13 . 1 1 6 6 LEU H H 1 8.85 0.02 . 1 . . . . . . . . 4689 2 14 . 1 1 6 6 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 4689 2 15 . 1 1 6 6 LEU CA C 13 58.30 0.10 . 1 . . . . . . . . 4689 2 16 . 1 1 6 6 LEU N N 15 124.90 0.15 . 1 . . . . . . . . 4689 2 17 . 1 1 7 7 SER H H 1 8.86 0.02 . 1 . . . . . . . . 4689 2 18 . 1 1 7 7 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 4689 2 19 . 1 1 7 7 SER CA C 13 61.20 0.10 . 1 . . . . . . . . 4689 2 20 . 1 1 7 7 SER N N 15 111.90 0.15 . 1 . . . . . . . . 4689 2 21 . 1 1 8 8 ARG H H 1 7.06 0.02 . 1 . . . . . . . . 4689 2 22 . 1 1 8 8 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 4689 2 23 . 1 1 8 8 ARG CA C 13 58.00 0.10 . 1 . . . . . . . . 4689 2 24 . 1 1 8 8 ARG N N 15 122.90 0.15 . 1 . . . . . . . . 4689 2 25 . 1 1 9 9 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 4689 2 26 . 1 1 9 9 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 4689 2 27 . 1 1 9 9 LEU CA C 13 57.90 0.10 . 1 . . . . . . . . 4689 2 28 . 1 1 9 9 LEU N N 15 119.80 0.15 . 1 . . . . . . . . 4689 2 29 . 1 1 10 10 PHE H H 1 8.47 0.02 . 1 . . . . . . . . 4689 2 30 . 1 1 10 10 PHE HA H 1 4.15 0.02 . 1 . . . . . . . . 4689 2 31 . 1 1 10 10 PHE CA C 13 63.50 0.10 . 1 . . . . . . . . 4689 2 32 . 1 1 10 10 PHE N N 15 118.50 0.15 . 1 . . . . . . . . 4689 2 33 . 1 1 11 11 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4689 2 34 . 1 1 11 11 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 4689 2 35 . 1 1 11 11 ASP N N 15 121.00 0.15 . 1 . . . . . . . . 4689 2 36 . 1 1 12 12 ASN H H 1 8.18 0.02 . 1 . . . . . . . . 4689 2 37 . 1 1 12 12 ASN HA H 1 4.41 0.02 . 1 . . . . . . . . 4689 2 38 . 1 1 12 12 ASN N N 15 117.50 0.15 . 1 . . . . . . . . 4689 2 39 . 1 1 13 13 ALA H H 1 7.68 0.02 . 1 . . . . . . . . 4689 2 40 . 1 1 13 13 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4689 2 41 . 1 1 13 13 ALA N N 15 122.30 0.15 . 1 . . . . . . . . 4689 2 42 . 1 1 14 14 MET H H 1 8.95 0.02 . 1 . . . . . . . . 4689 2 43 . 1 1 14 14 MET HA H 1 4.38 0.02 . 1 . . . . . . . . 4689 2 44 . 1 1 14 14 MET N N 15 117.30 0.15 . 1 . . . . . . . . 4689 2 45 . 1 1 15 15 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 4689 2 46 . 1 1 15 15 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4689 2 47 . 1 1 15 15 LEU CA C 13 58.50 0.10 . 1 . . . . . . . . 4689 2 48 . 1 1 15 15 LEU N N 15 121.30 0.15 . 1 . . . . . . . . 4689 2 49 . 1 1 16 16 ARG H H 1 7.33 0.02 . 1 . . . . . . . . 4689 2 50 . 1 1 16 16 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 4689 2 51 . 1 1 16 16 ARG CA C 13 59.30 0.10 . 1 . . . . . . . . 4689 2 52 . 1 1 16 16 ARG N N 15 118.50 0.15 . 1 . . . . . . . . 4689 2 53 . 1 1 17 17 ALA H H 1 8.86 0.02 . 1 . . . . . . . . 4689 2 54 . 1 1 17 17 ALA HA H 1 3.97 0.02 . 1 . . . . . . . . 4689 2 55 . 1 1 17 17 ALA CA C 13 55.40 0.10 . 1 . . . . . . . . 4689 2 56 . 1 1 17 17 ALA N N 15 122.30 0.15 . 1 . . . . . . . . 4689 2 57 . 1 1 18 18 HIS H H 1 9.00 0.02 . 1 . . . . . . . . 4689 2 58 . 1 1 18 18 HIS CA C 13 59.30 0.10 . 1 . . . . . . . . 4689 2 59 . 1 1 18 18 HIS N N 15 116.80 0.15 . 1 . . . . . . . . 4689 2 60 . 1 1 22 22 GLN HA H 1 3.65 0.02 . 1 . . . . . . . . 4689 2 61 . 1 1 22 22 GLN CA C 13 59.00 0.10 . 1 . . . . . . . . 4689 2 62 . 1 1 23 23 LEU H H 1 8.38 0.02 . 1 . . . . . . . . 4689 2 63 . 1 1 23 23 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4689 2 64 . 1 1 23 23 LEU CA C 13 58.20 0.10 . 1 . . . . . . . . 4689 2 65 . 1 1 23 23 LEU N N 15 119.40 0.15 . 1 . . . . . . . . 4689 2 66 . 1 1 24 24 ALA H H 1 8.47 0.02 . 1 . . . . . . . . 4689 2 67 . 1 1 24 24 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 4689 2 68 . 1 1 24 24 ALA CA C 13 55.60 0.10 . 1 . . . . . . . . 4689 2 69 . 1 1 24 24 ALA N N 15 124.10 0.15 . 1 . . . . . . . . 4689 2 70 . 1 1 25 25 PHE H H 1 8.82 0.02 . 1 . . . . . . . . 4689 2 71 . 1 1 25 25 PHE HA H 1 3.84 0.02 . 1 . . . . . . . . 4689 2 72 . 1 1 25 25 PHE CA C 13 62.30 0.10 . 1 . . . . . . . . 4689 2 73 . 1 1 25 25 PHE N N 15 119.40 0.15 . 1 . . . . . . . . 4689 2 74 . 1 1 26 26 ASP H H 1 9.39 0.02 . 1 . . . . . . . . 4689 2 75 . 1 1 26 26 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 4689 2 76 . 1 1 26 26 ASP CA C 13 57.80 0.10 . 1 . . . . . . . . 4689 2 77 . 1 1 26 26 ASP N N 15 121.00 0.15 . 1 . . . . . . . . 4689 2 78 . 1 1 27 27 THR H H 1 8.60 0.02 . 1 . . . . . . . . 4689 2 79 . 1 1 27 27 THR HA H 1 4.12 0.02 . 1 . . . . . . . . 4689 2 80 . 1 1 27 27 THR CA C 13 67.10 0.10 . 1 . . . . . . . . 4689 2 81 . 1 1 27 27 THR N N 15 116.30 0.15 . 1 . . . . . . . . 4689 2 82 . 1 1 28 28 TYR H H 1 8.18 0.02 . 1 . . . . . . . . 4689 2 83 . 1 1 28 28 TYR HA H 1 4.17 0.02 . 1 . . . . . . . . 4689 2 84 . 1 1 28 28 TYR CA C 13 62.80 0.10 . 1 . . . . . . . . 4689 2 85 . 1 1 28 28 TYR N N 15 123.20 0.15 . 1 . . . . . . . . 4689 2 86 . 1 1 29 29 GLN H H 1 8.13 0.02 . 1 . . . . . . . . 4689 2 87 . 1 1 29 29 GLN HA H 1 3.86 0.02 . 1 . . . . . . . . 4689 2 88 . 1 1 29 29 GLN CA C 13 59.30 0.10 . 1 . . . . . . . . 4689 2 89 . 1 1 29 29 GLN N N 15 117.80 0.15 . 1 . . . . . . . . 4689 2 90 . 1 1 31 31 PHE HA H 1 4.11 0.02 . 1 . . . . . . . . 4689 2 91 . 1 1 31 31 PHE CA C 13 61.10 0.10 . 1 . . . . . . . . 4689 2 92 . 1 1 32 32 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 4689 2 93 . 1 1 32 32 GLU HA H 1 3.49 0.02 . 1 . . . . . . . . 4689 2 94 . 1 1 32 32 GLU CA C 13 59.40 0.10 . 1 . . . . . . . . 4689 2 95 . 1 1 32 32 GLU N N 15 119.10 0.15 . 1 . . . . . . . . 4689 2 96 . 1 1 33 33 GLU H H 1 7.87 0.02 . 1 . . . . . . . . 4689 2 97 . 1 1 33 33 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 4689 2 98 . 1 1 33 33 GLU CA C 13 58.60 0.10 . 1 . . . . . . . . 4689 2 99 . 1 1 33 33 GLU N N 15 115.60 0.15 . 1 . . . . . . . . 4689 2 100 . 1 1 34 34 ALA H H 1 7.61 0.02 . 1 . . . . . . . . 4689 2 101 . 1 1 34 34 ALA HA H 1 3.89 0.02 . 1 . . . . . . . . 4689 2 102 . 1 1 34 34 ALA CA C 13 54.40 0.10 . 1 . . . . . . . . 4689 2 103 . 1 1 34 34 ALA N N 15 119.10 0.15 . 1 . . . . . . . . 4689 2 104 . 1 1 35 35 TYR H H 1 7.59 0.02 . 1 . . . . . . . . 4689 2 105 . 1 1 35 35 TYR HA H 1 4.61 0.02 . 1 . . . . . . . . 4689 2 106 . 1 1 35 35 TYR CA C 13 58.20 0.10 . 1 . . . . . . . . 4689 2 107 . 1 1 35 35 TYR N N 15 111.30 0.15 . 1 . . . . . . . . 4689 2 108 . 1 1 36 36 ILE H H 1 7.28 0.02 . 1 . . . . . . . . 4689 2 109 . 1 1 44 44 PHE CA C 13 58.90 0.10 . 1 . . . . . . . . 4689 2 110 . 1 1 45 45 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 4689 2 111 . 1 1 45 45 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4689 2 112 . 1 1 45 45 LEU CA C 13 55.70 0.10 . 1 . . . . . . . . 4689 2 113 . 1 1 45 45 LEU N N 15 119.20 0.15 . 1 . . . . . . . . 4689 2 114 . 1 1 46 46 GLN H H 1 7.71 0.02 . 1 . . . . . . . . 4689 2 115 . 1 1 46 46 GLN HA H 1 4.21 0.02 . 1 . . . . . . . . 4689 2 116 . 1 1 46 46 GLN CA C 13 56.10 0.10 . 1 . . . . . . . . 4689 2 117 . 1 1 46 46 GLN N N 15 117.20 0.15 . 1 . . . . . . . . 4689 2 118 . 1 1 47 47 ASN H H 1 7.87 0.02 . 1 . . . . . . . . 4689 2 119 . 1 1 47 47 ASN HA H 1 4.97 0.02 . 1 . . . . . . . . 4689 2 120 . 1 1 47 47 ASN CA C 13 51.30 0.10 . 1 . . . . . . . . 4689 2 121 . 1 1 47 47 ASN N N 15 118.70 0.15 . 1 . . . . . . . . 4689 2 122 . 1 1 48 48 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 4689 2 123 . 1 1 48 48 PRO CA C 13 63.90 0.10 . 1 . . . . . . . . 4689 2 124 . 1 1 49 49 GLN H H 1 8.34 0.02 . 1 . . . . . . . . 4689 2 125 . 1 1 49 49 GLN HA H 1 4.26 0.02 . 1 . . . . . . . . 4689 2 126 . 1 1 49 49 GLN CA C 13 56.60 0.10 . 1 . . . . . . . . 4689 2 127 . 1 1 49 49 GLN N N 15 118.20 0.15 . 1 . . . . . . . . 4689 2 128 . 1 1 50 50 THR H H 1 7.85 0.02 . 1 . . . . . . . . 4689 2 129 . 1 1 50 50 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 4689 2 130 . 1 1 50 50 THR CA C 13 62.50 0.10 . 1 . . . . . . . . 4689 2 131 . 1 1 50 50 THR N N 15 112.50 0.15 . 1 . . . . . . . . 4689 2 132 . 1 1 51 51 SER H H 1 8.09 0.02 . 1 . . . . . . . . 4689 2 133 . 1 1 51 51 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 2 134 . 1 1 51 51 SER CA C 13 58.60 0.10 . 1 . . . . . . . . 4689 2 135 . 1 1 51 51 SER N N 15 116.90 0.15 . 1 . . . . . . . . 4689 2 136 . 1 1 52 52 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 4689 2 137 . 1 1 52 52 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 2 138 . 1 1 52 52 LEU CA C 13 55.90 0.10 . 1 . . . . . . . . 4689 2 139 . 1 1 52 52 LEU N N 15 123.80 0.15 . 1 . . . . . . . . 4689 2 140 . 1 1 53 53 CYS H H 1 8.48 0.02 . 1 . . . . . . . . 4689 2 141 . 1 1 53 53 CYS HA H 1 5.02 0.02 . 1 . . . . . . . . 4689 2 142 . 1 1 53 53 CYS CA C 13 53.40 0.10 . 1 . . . . . . . . 4689 2 143 . 1 1 53 53 CYS N N 15 119.10 0.15 . 1 . . . . . . . . 4689 2 144 . 1 1 56 56 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 4689 2 145 . 1 1 56 56 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 4689 2 146 . 1 1 56 56 GLU CA C 13 58.30 0.10 . 1 . . . . . . . . 4689 2 147 . 1 1 56 56 GLU N N 15 122.50 0.15 . 1 . . . . . . . . 4689 2 148 . 1 1 57 57 SER H H 1 7.43 0.02 . 1 . . . . . . . . 4689 2 149 . 1 1 57 57 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 4689 2 150 . 1 1 57 57 SER CA C 13 59.40 0.10 . 1 . . . . . . . . 4689 2 151 . 1 1 57 57 SER N N 15 111.50 0.15 . 1 . . . . . . . . 4689 2 152 . 1 1 58 58 ILE H H 1 7.78 0.02 . 1 . . . . . . . . 4689 2 153 . 1 1 58 58 ILE HA H 1 4.24 0.02 . 1 . . . . . . . . 4689 2 154 . 1 1 58 58 ILE CA C 13 58.80 0.10 . 1 . . . . . . . . 4689 2 155 . 1 1 58 58 ILE N N 15 125.20 0.15 . 1 . . . . . . . . 4689 2 156 . 1 1 61 61 PRO CA C 13 62.50 0.10 . 1 . . . . . . . . 4689 2 157 . 1 1 62 62 SER H H 1 9.03 0.02 . 1 . . . . . . . . 4689 2 158 . 1 1 62 62 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4689 2 159 . 1 1 62 62 SER CA C 13 59.50 0.10 . 1 . . . . . . . . 4689 2 160 . 1 1 62 62 SER N N 15 117.20 0.15 . 1 . . . . . . . . 4689 2 161 . 1 1 63 63 ASN H H 1 7.49 0.02 . 1 . . . . . . . . 4689 2 162 . 1 1 63 63 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 4689 2 163 . 1 1 63 63 ASN CA C 13 52.00 0.10 . 1 . . . . . . . . 4689 2 164 . 1 1 63 63 ASN N N 15 115.50 0.15 . 1 . . . . . . . . 4689 2 165 . 1 1 77 77 ARG CA C 13 59.30 0.10 . 1 . . . . . . . . 4689 2 166 . 1 1 78 78 ILE H H 1 8.37 0.02 . 1 . . . . . . . . 4689 2 167 . 1 1 78 78 ILE CA C 13 66.00 0.10 . 1 . . . . . . . . 4689 2 168 . 1 1 79 79 SER H H 1 7.70 0.02 . 1 . . . . . . . . 4689 2 169 . 1 1 79 79 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 4689 2 170 . 1 1 79 79 SER CA C 13 64.00 0.10 . 1 . . . . . . . . 4689 2 171 . 1 1 79 79 SER N N 15 115.10 0.15 . 1 . . . . . . . . 4689 2 172 . 1 1 80 80 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 4689 2 173 . 1 1 80 80 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 4689 2 174 . 1 1 80 80 LEU CA C 13 58.20 0.10 . 1 . . . . . . . . 4689 2 175 . 1 1 80 80 LEU N N 15 121.50 0.15 . 1 . . . . . . . . 4689 2 176 . 1 1 81 81 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4689 2 177 . 1 1 81 81 LEU CA C 13 57.80 0.10 . 1 . . . . . . . . 4689 2 178 . 1 1 82 82 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 4689 2 179 . 1 1 82 82 LEU CA C 13 58.90 0.10 . 1 . . . . . . . . 4689 2 180 . 1 1 82 82 LEU N N 15 122.50 0.15 . 1 . . . . . . . . 4689 2 181 . 1 1 83 83 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 4689 2 182 . 1 1 83 83 ILE HA H 1 3.84 0.02 . 1 . . . . . . . . 4689 2 183 . 1 1 83 83 ILE CA C 13 63.40 0.10 . 1 . . . . . . . . 4689 2 184 . 1 1 83 83 ILE N N 15 118.50 0.15 . 1 . . . . . . . . 4689 2 185 . 1 1 84 84 GLN H H 1 9.08 0.02 . 1 . . . . . . . . 4689 2 186 . 1 1 84 84 GLN HA H 1 3.81 0.02 . 1 . . . . . . . . 4689 2 187 . 1 1 84 84 GLN CA C 13 59.20 0.10 . 1 . . . . . . . . 4689 2 188 . 1 1 84 84 GLN N N 15 116.60 0.15 . 1 . . . . . . . . 4689 2 189 . 1 1 85 85 SER H H 1 8.18 0.02 . 1 . . . . . . . . 4689 2 190 . 1 1 85 85 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 4689 2 191 . 1 1 85 85 SER CA C 13 61.70 0.10 . 1 . . . . . . . . 4689 2 192 . 1 1 85 85 SER N N 15 114.30 0.15 . 1 . . . . . . . . 4689 2 193 . 1 1 89 89 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 2 194 . 1 1 89 89 PRO CA C 13 62.60 0.10 . 1 . . . . . . . . 4689 2 195 . 1 1 90 90 VAL H H 1 8.63 0.02 . 1 . . . . . . . . 4689 2 196 . 1 1 90 90 VAL HA H 1 3.71 0.02 . 1 . . . . . . . . 4689 2 197 . 1 1 90 90 VAL CA C 13 60.30 0.10 . 1 . . . . . . . . 4689 2 198 . 1 1 90 90 VAL N N 15 122.20 0.15 . 1 . . . . . . . . 4689 2 199 . 1 1 91 91 GLN H H 1 9.15 0.02 . 1 . . . . . . . . 4689 2 200 . 1 1 91 91 GLN HA H 1 4.03 0.02 . 1 . . . . . . . . 4689 2 201 . 1 1 91 91 GLN CA C 13 58.80 0.10 . 1 . . . . . . . . 4689 2 202 . 1 1 91 91 GLN N N 15 115.80 0.15 . 1 . . . . . . . . 4689 2 203 . 1 1 94 94 ARG CA C 13 60.60 0.10 . 1 . . . . . . . . 4689 2 204 . 1 1 95 95 SER H H 1 8.52 0.02 . 1 . . . . . . . . 4689 2 205 . 1 1 95 95 SER HA H 1 4.24 0.02 . 1 . . . . . . . . 4689 2 206 . 1 1 95 95 SER CA C 13 61.20 0.10 . 1 . . . . . . . . 4689 2 207 . 1 1 95 95 SER N N 15 113.30 0.15 . 1 . . . . . . . . 4689 2 208 . 1 1 96 96 VAL H H 1 7.25 0.02 . 1 . . . . . . . . 4689 2 209 . 1 1 96 96 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 4689 2 210 . 1 1 96 96 VAL CA C 13 65.20 0.10 . 1 . . . . . . . . 4689 2 211 . 1 1 96 96 VAL N N 15 122.70 0.15 . 1 . . . . . . . . 4689 2 212 . 1 1 97 97 PHE HA H 1 4.62 0.02 . 1 . . . . . . . . 4689 2 213 . 1 1 97 97 PHE CA C 13 60.10 0.10 . 1 . . . . . . . . 4689 2 214 . 1 1 98 98 ALA H H 1 8.15 0.02 . 1 . . . . . . . . 4689 2 215 . 1 1 98 98 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 4689 2 216 . 1 1 98 98 ALA CA C 13 54.60 0.10 . 1 . . . . . . . . 4689 2 217 . 1 1 98 98 ALA N N 15 119.00 0.15 . 1 . . . . . . . . 4689 2 218 . 1 1 99 99 ASN H H 1 7.41 0.02 . 1 . . . . . . . . 4689 2 219 . 1 1 99 99 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 4689 2 220 . 1 1 99 99 ASN CA C 13 53.10 0.10 . 1 . . . . . . . . 4689 2 221 . 1 1 99 99 ASN N N 15 113.80 0.15 . 1 . . . . . . . . 4689 2 222 . 1 1 100 100 SER H H 1 7.42 0.02 . 1 . . . . . . . . 4689 2 223 . 1 1 100 100 SER HA H 1 4.68 0.02 . 1 . . . . . . . . 4689 2 224 . 1 1 100 100 SER CA C 13 58.10 0.10 . 1 . . . . . . . . 4689 2 225 . 1 1 100 100 SER N N 15 115.80 0.15 . 1 . . . . . . . . 4689 2 226 . 1 1 103 103 TYR HA H 1 4.29 0.02 . 1 . . . . . . . . 4689 2 227 . 1 1 103 103 TYR CA C 13 60.20 0.10 . 1 . . . . . . . . 4689 2 228 . 1 1 104 104 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 4689 2 229 . 1 1 104 104 GLY HA2 H 1 3.87 0.02 . 2 . . . . . . . . 4689 2 230 . 1 1 104 104 GLY CA C 13 45.90 0.10 . 1 . . . . . . . . 4689 2 231 . 1 1 104 104 GLY N N 15 112.40 0.15 . 1 . . . . . . . . 4689 2 232 . 1 1 105 105 ALA H H 1 7.87 0.02 . 1 . . . . . . . . 4689 2 233 . 1 1 105 105 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 4689 2 234 . 1 1 105 105 ALA CA C 13 53.70 0.10 . 1 . . . . . . . . 4689 2 235 . 1 1 105 105 ALA N N 15 123.40 0.15 . 1 . . . . . . . . 4689 2 236 . 1 1 106 106 SER H H 1 8.04 0.02 . 1 . . . . . . . . 4689 2 237 . 1 1 106 106 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 4689 2 238 . 1 1 106 106 SER CA C 13 59.30 0.10 . 1 . . . . . . . . 4689 2 239 . 1 1 106 106 SER N N 15 113.20 0.15 . 1 . . . . . . . . 4689 2 240 . 1 1 107 107 ASP H H 1 8.09 0.02 . 1 . . . . . . . . 4689 2 241 . 1 1 107 107 ASP CA C 13 54.80 0.10 . 1 . . . . . . . . 4689 2 242 . 1 1 107 107 ASP N N 15 120.50 0.15 . 1 . . . . . . . . 4689 2 243 . 1 1 108 108 SER H H 1 7.74 0.02 . 1 . . . . . . . . 4689 2 244 . 1 1 108 108 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4689 2 245 . 1 1 108 108 SER CA C 13 58.50 0.10 . 1 . . . . . . . . 4689 2 246 . 1 1 108 108 SER N N 15 114.10 0.15 . 1 . . . . . . . . 4689 2 247 . 1 1 116 116 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 4689 2 248 . 1 1 116 116 ASP CA C 13 57.00 0.10 . 1 . . . . . . . . 4689 2 249 . 1 1 117 117 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 4689 2 250 . 1 1 117 117 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4689 2 251 . 1 1 117 117 LEU CA C 13 57.60 0.10 . 1 . . . . . . . . 4689 2 252 . 1 1 117 117 LEU N N 15 123.20 0.15 . 1 . . . . . . . . 4689 2 253 . 1 1 118 118 GLU H H 1 8.91 0.02 . 1 . . . . . . . . 4689 2 254 . 1 1 118 118 GLU HA H 1 3.63 0.02 . 1 . . . . . . . . 4689 2 255 . 1 1 118 118 GLU CA C 13 60.50 0.10 . 1 . . . . . . . . 4689 2 256 . 1 1 118 118 GLU N N 15 122.90 0.15 . 1 . . . . . . . . 4689 2 257 . 1 1 119 119 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4689 2 258 . 1 1 119 119 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 4689 2 259 . 1 1 119 119 GLU CA C 13 59.30 0.10 . 1 . . . . . . . . 4689 2 260 . 1 1 119 119 GLU N N 15 117.80 0.15 . 1 . . . . . . . . 4689 2 261 . 1 1 120 120 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 4689 2 262 . 1 1 120 120 GLY CA C 13 47.50 0.10 . 1 . . . . . . . . 4689 2 263 . 1 1 120 120 GLY N N 15 109.50 0.15 . 1 . . . . . . . . 4689 2 264 . 1 1 121 121 ILE H H 1 9.04 0.02 . 1 . . . . . . . . 4689 2 265 . 1 1 121 121 ILE HA H 1 3.61 0.02 . 1 . . . . . . . . 4689 2 266 . 1 1 121 121 ILE CA C 13 66.00 0.10 . 1 . . . . . . . . 4689 2 267 . 1 1 121 121 ILE N N 15 122.90 0.15 . 1 . . . . . . . . 4689 2 268 . 1 1 122 122 GLN H H 1 8.35 0.02 . 1 . . . . . . . . 4689 2 269 . 1 1 122 122 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 4689 2 270 . 1 1 122 122 GLN CA C 13 60.20 0.10 . 1 . . . . . . . . 4689 2 271 . 1 1 122 122 GLN N N 15 120.40 0.15 . 1 . . . . . . . . 4689 2 272 . 1 1 123 123 THR H H 1 8.54 0.02 . 1 . . . . . . . . 4689 2 273 . 1 1 124 124 LEU H H 1 7.96 0.02 . 1 . . . . . . . . 4689 2 274 . 1 1 124 124 LEU HA H 1 3.63 0.02 . 1 . . . . . . . . 4689 2 275 . 1 1 124 124 LEU CA C 13 58.60 0.10 . 1 . . . . . . . . 4689 2 276 . 1 1 125 125 MET H H 1 8.55 0.02 . 1 . . . . . . . . 4689 2 277 . 1 1 125 125 MET HA H 1 3.70 0.02 . 1 . . . . . . . . 4689 2 278 . 1 1 125 125 MET CA C 13 60.30 0.10 . 1 . . . . . . . . 4689 2 279 . 1 1 125 125 MET N N 15 117.10 0.15 . 1 . . . . . . . . 4689 2 280 . 1 1 126 126 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 4689 2 281 . 1 1 126 126 GLY CA C 13 46.80 0.10 . 1 . . . . . . . . 4689 2 282 . 1 1 126 126 GLY N N 15 104.40 0.15 . 1 . . . . . . . . 4689 2 283 . 1 1 127 127 ARG H H 1 7.57 0.02 . 1 . . . . . . . . 4689 2 284 . 1 1 127 127 ARG HA H 1 4.31 0.02 . 1 . . . . . . . . 4689 2 285 . 1 1 127 127 ARG CA C 13 55.90 0.10 . 1 . . . . . . . . 4689 2 286 . 1 1 127 127 ARG N N 15 119.10 0.15 . 1 . . . . . . . . 4689 2 287 . 1 1 128 128 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 4689 2 288 . 1 1 128 128 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4689 2 289 . 1 1 128 128 LEU CA C 13 55.20 0.10 . 1 . . . . . . . . 4689 2 290 . 1 1 128 128 LEU N N 15 119.50 0.15 . 1 . . . . . . . . 4689 2 291 . 1 1 129 129 GLU H H 1 7.35 0.02 . 1 . . . . . . . . 4689 2 292 . 1 1 129 129 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4689 2 293 . 1 1 129 129 GLU CA C 13 57.90 0.10 . 1 . . . . . . . . 4689 2 294 . 1 1 129 129 GLU N N 15 121.00 0.15 . 1 . . . . . . . . 4689 2 295 . 1 1 130 130 ASP H H 1 7.88 0.02 . 1 . . . . . . . . 4689 2 296 . 1 1 130 130 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 4689 2 297 . 1 1 130 130 ASP CA C 13 53.40 0.10 . 1 . . . . . . . . 4689 2 298 . 1 1 130 130 ASP N N 15 124.40 0.15 . 1 . . . . . . . . 4689 2 299 . 1 1 131 131 GLY H H 1 9.07 0.02 . 1 . . . . . . . . 4689 2 300 . 1 1 131 131 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 4689 2 301 . 1 1 131 131 GLY CA C 13 45.60 0.10 . 1 . . . . . . . . 4689 2 302 . 1 1 131 131 GLY N N 15 110.70 0.15 . 1 . . . . . . . . 4689 2 303 . 1 1 132 132 SER H H 1 8.12 0.02 . 1 . . . . . . . . 4689 2 304 . 1 1 132 132 SER HA H 1 4.61 0.02 . 1 . . . . . . . . 4689 2 305 . 1 1 132 132 SER CA C 13 57.40 0.10 . 1 . . . . . . . . 4689 2 306 . 1 1 132 132 SER N N 15 117.70 0.15 . 1 . . . . . . . . 4689 2 307 . 1 1 133 133 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 2 308 . 1 1 133 133 PRO CA C 13 63.40 0.10 . 1 . . . . . . . . 4689 2 309 . 1 1 134 134 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 4689 2 310 . 1 1 134 134 ARG N N 15 123.20 0.15 . 1 . . . . . . . . 4689 2 311 . 1 1 135 135 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 4689 2 312 . 1 1 135 135 THR CA C 13 61.50 0.10 . 1 . . . . . . . . 4689 2 313 . 1 1 136 136 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 4689 2 314 . 1 1 136 136 GLY CA C 13 45.30 0.10 . 1 . . . . . . . . 4689 2 315 . 1 1 136 136 GLY N N 15 110.10 0.15 . 1 . . . . . . . . 4689 2 316 . 1 1 137 137 GLN H H 1 8.29 0.02 . 1 . . . . . . . . 4689 2 317 . 1 1 137 137 GLN CA C 13 56.70 0.10 . 1 . . . . . . . . 4689 2 318 . 1 1 137 137 GLN N N 15 116.80 0.15 . 1 . . . . . . . . 4689 2 319 . 1 1 146 146 PHE HA H 1 4.31 0.02 . 1 . . . . . . . . 4689 2 320 . 1 1 146 146 PHE CA C 13 56.90 0.10 . 1 . . . . . . . . 4689 2 321 . 1 1 147 147 ASP H H 1 8.06 0.02 . 1 . . . . . . . . 4689 2 322 . 1 1 147 147 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 4689 2 323 . 1 1 147 147 ASP CA C 13 53.30 0.10 . 1 . . . . . . . . 4689 2 324 . 1 1 147 147 ASP N N 15 125.20 0.15 . 1 . . . . . . . . 4689 2 325 . 1 1 148 148 THR H H 1 7.93 0.02 . 1 . . . . . . . . 4689 2 326 . 1 1 148 148 THR HA H 1 3.86 0.02 . 1 . . . . . . . . 4689 2 327 . 1 1 148 148 THR CA C 13 62.40 0.10 . 1 . . . . . . . . 4689 2 328 . 1 1 148 148 THR N N 15 115.80 0.15 . 1 . . . . . . . . 4689 2 329 . 1 1 149 149 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 4689 2 330 . 1 1 149 149 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 4689 2 331 . 1 1 149 149 ASN CA C 13 53.60 0.10 . 1 . . . . . . . . 4689 2 332 . 1 1 149 149 ASN N N 15 120.20 0.15 . 1 . . . . . . . . 4689 2 333 . 1 1 150 150 SER H H 1 7.83 0.02 . 1 . . . . . . . . 4689 2 334 . 1 1 150 150 SER HA H 1 4.30 0.02 . 1 . . . . . . . . 4689 2 335 . 1 1 150 150 SER CA C 13 58.70 0.10 . 1 . . . . . . . . 4689 2 336 . 1 1 150 150 SER N N 15 115.50 0.15 . 1 . . . . . . . . 4689 2 337 . 1 1 153 153 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 4689 2 338 . 1 1 153 153 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 4689 2 339 . 1 1 153 153 ASP CA C 13 54.80 0.10 . 1 . . . . . . . . 4689 2 340 . 1 1 153 153 ASP N N 15 120.00 0.15 . 1 . . . . . . . . 4689 2 341 . 1 1 154 154 ASP H H 1 8.05 0.02 . 1 . . . . . . . . 4689 2 342 . 1 1 154 154 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 4689 2 343 . 1 1 154 154 ASP CA C 13 54.00 0.10 . 1 . . . . . . . . 4689 2 344 . 1 1 154 154 ASP N N 15 120.70 0.15 . 1 . . . . . . . . 4689 2 345 . 1 1 155 155 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 4689 2 346 . 1 1 155 155 ALA HA H 1 4.03 0.02 . 1 . . . . . . . . 4689 2 347 . 1 1 155 155 ALA CA C 13 55.20 0.10 . 1 . . . . . . . . 4689 2 348 . 1 1 155 155 ALA N N 15 126.00 0.15 . 1 . . . . . . . . 4689 2 349 . 1 1 156 156 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 4689 2 350 . 1 1 156 156 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4689 2 351 . 1 1 156 156 LEU CA C 13 58.80 0.10 . 1 . . . . . . . . 4689 2 352 . 1 1 156 156 LEU N N 15 119.30 0.15 . 1 . . . . . . . . 4689 2 353 . 1 1 157 157 LEU H H 1 7.82 0.02 . 1 . . . . . . . . 4689 2 354 . 1 1 157 157 LEU N N 15 117.20 0.15 . 1 . . . . . . . . 4689 2 355 . 1 1 159 159 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 4689 2 356 . 1 1 159 159 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 4689 2 357 . 1 1 159 159 ASN CA C 13 56.00 0.10 . 1 . . . . . . . . 4689 2 358 . 1 1 159 159 ASN N N 15 119.60 0.15 . 1 . . . . . . . . 4689 2 359 . 1 1 160 160 TYR H H 1 8.44 0.02 . 1 . . . . . . . . 4689 2 360 . 1 1 160 160 TYR HA H 1 4.28 0.02 . 1 . . . . . . . . 4689 2 361 . 1 1 160 160 TYR CA C 13 58.20 0.10 . 1 . . . . . . . . 4689 2 362 . 1 1 160 160 TYR N N 15 121.30 0.15 . 1 . . . . . . . . 4689 2 363 . 1 1 161 161 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 4689 2 364 . 1 1 161 161 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 4689 2 365 . 1 1 161 161 GLY CA C 13 47.30 0.10 . 1 . . . . . . . . 4689 2 366 . 1 1 161 161 GLY N N 15 104.10 0.15 . 1 . . . . . . . . 4689 2 367 . 1 1 162 162 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 4689 2 368 . 1 1 162 162 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4689 2 369 . 1 1 162 162 LEU CA C 13 58.50 0.10 . 1 . . . . . . . . 4689 2 370 . 1 1 162 162 LEU N N 15 122.90 0.15 . 1 . . . . . . . . 4689 2 371 . 1 1 163 163 LEU H H 1 8.49 0.02 . 1 . . . . . . . . 4689 2 372 . 1 1 163 163 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4689 2 373 . 1 1 163 163 LEU CA C 13 58.10 0.10 . 1 . . . . . . . . 4689 2 374 . 1 1 163 163 LEU N N 15 120.00 0.15 . 1 . . . . . . . . 4689 2 375 . 1 1 169 169 ASP H H 1 8.72 0.02 . 1 . . . . . . . . 4689 2 376 . 1 1 170 170 MET H H 1 8.28 0.02 . 1 . . . . . . . . 4689 2 377 . 1 1 170 170 MET N N 15 117.50 0.15 . 1 . . . . . . . . 4689 2 378 . 1 1 171 171 ASP H H 1 7.56 0.02 . 1 . . . . . . . . 4689 2 379 . 1 1 171 171 ASP HA H 1 3.49 0.02 . 1 . . . . . . . . 4689 2 380 . 1 1 171 171 ASP CA C 13 56.90 0.10 . 1 . . . . . . . . 4689 2 381 . 1 1 171 171 ASP N N 15 120.20 0.15 . 1 . . . . . . . . 4689 2 382 . 1 1 172 172 LYS H H 1 7.25 0.02 . 1 . . . . . . . . 4689 2 383 . 1 1 172 172 LYS HA H 1 3.78 0.02 . 1 . . . . . . . . 4689 2 384 . 1 1 172 172 LYS CA C 13 59.60 0.10 . 1 . . . . . . . . 4689 2 385 . 1 1 172 172 LYS N N 15 120.40 0.15 . 1 . . . . . . . . 4689 2 386 . 1 1 173 173 VAL H H 1 7.77 0.02 . 1 . . . . . . . . 4689 2 387 . 1 1 173 173 VAL HA H 1 3.44 0.02 . 1 . . . . . . . . 4689 2 388 . 1 1 173 173 VAL CA C 13 67.10 0.10 . 1 . . . . . . . . 4689 2 389 . 1 1 173 173 VAL N N 15 117.00 0.15 . 1 . . . . . . . . 4689 2 390 . 1 1 174 174 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 4689 2 391 . 1 1 174 174 GLU CA C 13 60.70 0.10 . 1 . . . . . . . . 4689 2 392 . 1 1 174 174 GLU N N 15 117.70 0.15 . 1 . . . . . . . . 4689 2 393 . 1 1 175 175 THR H H 1 7.90 0.02 . 1 . . . . . . . . 4689 2 394 . 1 1 175 175 THR HA H 1 3.73 0.02 . 1 . . . . . . . . 4689 2 395 . 1 1 175 175 THR CA C 13 66.90 0.10 . 1 . . . . . . . . 4689 2 396 . 1 1 175 175 THR N N 15 114.80 0.15 . 1 . . . . . . . . 4689 2 397 . 1 1 176 176 PHE H H 1 8.71 0.02 . 1 . . . . . . . . 4689 2 398 . 1 1 176 176 PHE HA H 1 4.51 0.02 . 1 . . . . . . . . 4689 2 399 . 1 1 176 176 PHE CA C 13 58.10 0.10 . 1 . . . . . . . . 4689 2 400 . 1 1 176 176 PHE N N 15 120.90 0.15 . 1 . . . . . . . . 4689 2 401 . 1 1 177 177 LEU H H 1 8.53 0.02 . 1 . . . . . . . . 4689 2 402 . 1 1 177 177 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 4689 2 403 . 1 1 177 177 LEU CA C 13 58.50 0.10 . 1 . . . . . . . . 4689 2 404 . 1 1 177 177 LEU N N 15 118.80 0.15 . 1 . . . . . . . . 4689 2 405 . 1 1 178 178 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 4689 2 406 . 1 1 178 178 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . 4689 2 407 . 1 1 178 178 ARG CA C 13 59.00 0.10 . 1 . . . . . . . . 4689 2 408 . 1 1 178 178 ARG N N 15 119.20 0.15 . 1 . . . . . . . . 4689 2 409 . 1 1 179 179 ILE H H 1 7.89 0.02 . 1 . . . . . . . . 4689 2 410 . 1 1 179 179 ILE HA H 1 4.21 0.02 . 1 . . . . . . . . 4689 2 411 . 1 1 179 179 ILE CA C 13 65.20 0.10 . 1 . . . . . . . . 4689 2 412 . 1 1 179 179 ILE N N 15 119.50 0.15 . 1 . . . . . . . . 4689 2 413 . 1 1 180 180 VAL H H 1 7.78 0.02 . 1 . . . . . . . . 4689 2 414 . 1 1 180 180 VAL HA H 1 3.49 0.02 . 1 . . . . . . . . 4689 2 415 . 1 1 180 180 VAL CA C 13 66.70 0.10 . 1 . . . . . . . . 4689 2 416 . 1 1 180 180 VAL N N 15 118.70 0.15 . 1 . . . . . . . . 4689 2 417 . 1 1 181 181 GLN H H 1 8.76 0.02 . 1 . . . . . . . . 4689 2 418 . 1 1 181 181 GLN CA C 13 59.70 0.10 . 1 . . . . . . . . 4689 2 419 . 1 1 181 181 GLN N N 15 123.70 0.15 . 1 . . . . . . . . 4689 2 420 . 1 1 182 182 CYS H H 1 8.44 0.02 . 1 . . . . . . . . 4689 2 421 . 1 1 182 182 CYS CA C 13 58.00 0.10 . 1 . . . . . . . . 4689 2 422 . 1 1 182 182 CYS N N 15 116.30 0.15 . 1 . . . . . . . . 4689 2 423 . 1 1 183 183 ARG H H 1 7.91 0.02 . 1 . . . . . . . . 4689 2 424 . 1 1 183 183 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4689 2 425 . 1 1 183 183 ARG CA C 13 58.90 0.10 . 1 . . . . . . . . 4689 2 426 . 1 1 183 183 ARG N N 15 116.30 0.15 . 1 . . . . . . . . 4689 2 427 . 1 1 184 184 SER H H 1 7.82 0.02 . 1 . . . . . . . . 4689 2 428 . 1 1 184 184 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4689 2 429 . 1 1 184 184 SER CA C 13 60.90 0.10 . 1 . . . . . . . . 4689 2 430 . 1 1 184 184 SER N N 15 113.30 0.15 . 1 . . . . . . . . 4689 2 431 . 1 1 185 185 VAL CA C 13 61.50 0.10 . 1 . . . . . . . . 4689 2 432 . 1 1 186 186 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 4689 2 433 . 1 1 186 186 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 4689 2 434 . 1 1 186 186 GLU CA C 13 57.70 0.10 . 1 . . . . . . . . 4689 2 435 . 1 1 186 186 GLU N N 15 124.90 0.15 . 1 . . . . . . . . 4689 2 436 . 1 1 187 187 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 4689 2 437 . 1 1 187 187 GLY CA C 13 45.70 0.10 . 1 . . . . . . . . 4689 2 438 . 1 1 187 187 GLY N N 15 110.90 0.15 . 1 . . . . . . . . 4689 2 439 . 1 1 188 188 SER H H 1 8.03 0.02 . 1 . . . . . . . . 4689 2 440 . 1 1 188 188 SER N N 15 115.10 0.15 . 1 . . . . . . . . 4689 2 441 . 1 1 189 189 CYS HA H 1 4.61 0.02 . 1 . . . . . . . . 4689 2 442 . 1 1 190 190 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 4689 2 443 . 1 1 190 190 GLY CA C 13 45.60 0.10 . 1 . . . . . . . . 4689 2 444 . 1 1 190 190 GLY N N 15 109.60 0.15 . 1 . . . . . . . . 4689 2 445 . 1 1 191 191 PHE H H 1 7.41 0.02 . 1 . . . . . . . . 4689 2 446 . 1 1 191 191 PHE CA C 13 58.80 0.10 . 1 . . . . . . . . 4689 2 447 . 1 1 191 191 PHE N N 15 123.90 0.15 . 1 . . . . . . . . 4689 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_Heteronuclear_NOE_one _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Heteronuclear_NOE_one _Heteronucl_NOE_list.Entry_ID 4689 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 499.98 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type NOE/NONOE _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 2 $sample_2 . 4689 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 THR N N 15 . 1 1 3 3 THR H H 1 -0.513 . . . . . . . . . . . 4689 1 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.209 . . . . . . . . . . . 4689 1 3 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.634 . . . . . . . . . . . 4689 1 4 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.878 . . . . . . . . . . . 4689 1 5 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.865 . . . . . . . . . . . 4689 1 6 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.732 . . . . . . . . . . . 4689 1 7 . 1 1 10 10 PHE N N 15 . 1 1 10 10 PHE H H 1 0.757 . . . . . . . . . . . 4689 1 8 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.563 . . . . . . . . . . . 4689 1 9 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.745 . . . . . . . . . . . 4689 1 10 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.730 . . . . . . . . . . . 4689 1 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.744 . . . . . . . . . . . 4689 1 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.406 . . . . . . . . . . . 4689 1 13 . 1 1 16 16 ARG N N 15 . 1 1 16 16 ARG H H 1 0.948 . . . . . . . . . . . 4689 1 14 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.852 . . . . . . . . . . . 4689 1 15 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.647 . . . . . . . . . . . 4689 1 16 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.606 . . . . . . . . . . . 4689 1 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.310 . . . . . . . . . . . 4689 1 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.562 . . . . . . . . . . . 4689 1 19 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.665 . . . . . . . . . . . 4689 1 20 . 1 1 25 25 PHE N N 15 . 1 1 25 25 PHE H H 1 0.687 . . . . . . . . . . . 4689 1 21 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.625 . . . . . . . . . . . 4689 1 22 . 1 1 31 31 PHE N N 15 . 1 1 31 31 PHE H H 1 0.455 . . . . . . . . . . . 4689 1 23 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.794 . . . . . . . . . . . 4689 1 24 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.953 . . . . . . . . . . . 4689 1 25 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.714 . . . . . . . . . . . 4689 1 26 . 1 1 35 35 TYR N N 15 . 1 1 35 35 TYR H H 1 0.400 . . . . . . . . . . . 4689 1 27 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.707 . . . . . . . . . . . 4689 1 28 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.333 . . . . . . . . . . . 4689 1 29 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.392 . . . . . . . . . . . 4689 1 30 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.113 . . . . . . . . . . . 4689 1 31 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.520 . . . . . . . . . . . 4689 1 32 . 1 1 43 43 SER N N 15 . 1 1 43 43 SER H H 1 0.421 . . . . . . . . . . . 4689 1 33 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.440 . . . . . . . . . . . 4689 1 34 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.338 . . . . . . . . . . . 4689 1 35 . 1 1 46 46 GLN N N 15 . 1 1 46 46 GLN H H 1 0.441 . . . . . . . . . . . 4689 1 36 . 1 1 47 47 ASN N N 15 . 1 1 47 47 ASN H H 1 0.479 . . . . . . . . . . . 4689 1 37 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.472 . . . . . . . . . . . 4689 1 38 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.397 . . . . . . . . . . . 4689 1 39 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.299 . . . . . . . . . . . 4689 1 40 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.362 . . . . . . . . . . . 4689 1 41 . 1 1 53 53 CYS N N 15 . 1 1 53 53 CYS H H 1 0.569 . . . . . . . . . . . 4689 1 42 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.512 . . . . . . . . . . . 4689 1 43 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.570 . . . . . . . . . . . 4689 1 44 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.626 . . . . . . . . . . . 4689 1 45 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.831 . . . . . . . . . . . 4689 1 46 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.651 . . . . . . . . . . . 4689 1 47 . 1 1 78 78 ILE N N 15 . 1 1 78 78 ILE H H 1 0.645 . . . . . . . . . . . 4689 1 48 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.889 . . . . . . . . . . . 4689 1 49 . 1 1 80 80 LEU N N 15 . 1 1 80 80 LEU H H 1 0.782 . . . . . . . . . . . 4689 1 50 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.607 . . . . . . . . . . . 4689 1 51 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.480 . . . . . . . . . . . 4689 1 52 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.614 . . . . . . . . . . . 4689 1 53 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.429 . . . . . . . . . . . 4689 1 54 . 1 1 85 85 SER N N 15 . 1 1 85 85 SER H H 1 0.590 . . . . . . . . . . . 4689 1 55 . 1 1 86 86 TRP N N 15 . 1 1 86 86 TRP H H 1 0.411 . . . . . . . . . . . 4689 1 56 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.466 . . . . . . . . . . . 4689 1 57 . 1 1 92 92 PHE N N 15 . 1 1 92 92 PHE H H 1 0.537 . . . . . . . . . . . 4689 1 58 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.111 . . . . . . . . . . . 4689 1 59 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.727 . . . . . . . . . . . 4689 1 60 . 1 1 95 95 SER N N 15 . 1 1 95 95 SER H H 1 0.672 . . . . . . . . . . . 4689 1 61 . 1 1 96 96 VAL N N 15 . 1 1 96 96 VAL H H 1 0.503 . . . . . . . . . . . 4689 1 62 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.540 . . . . . . . . . . . 4689 1 63 . 1 1 98 98 ALA N N 15 . 1 1 98 98 ALA H H 1 0.511 . . . . . . . . . . . 4689 1 64 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 -0.000 . . . . . . . . . . . 4689 1 65 . 1 1 100 100 SER N N 15 . 1 1 100 100 SER H H 1 0.403 . . . . . . . . . . . 4689 1 66 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.137 . . . . . . . . . . . 4689 1 67 . 1 1 102 102 VAL N N 15 . 1 1 102 102 VAL H H 1 0.573 . . . . . . . . . . . 4689 1 68 . 1 1 103 103 TYR N N 15 . 1 1 103 103 TYR H H 1 0.344 . . . . . . . . . . . 4689 1 69 . 1 1 104 104 GLY N N 15 . 1 1 104 104 GLY H H 1 0.532 . . . . . . . . . . . 4689 1 70 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.695 . . . . . . . . . . . 4689 1 71 . 1 1 106 106 SER N N 15 . 1 1 106 106 SER H H 1 0.345 . . . . . . . . . . . 4689 1 72 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.213 . . . . . . . . . . . 4689 1 73 . 1 1 108 108 SER N N 15 . 1 1 108 108 SER H H 1 0.374 . . . . . . . . . . . 4689 1 74 . 1 1 109 109 ASN N N 15 . 1 1 109 109 ASN H H 1 0.100 . . . . . . . . . . . 4689 1 75 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.588 . . . . . . . . . . . 4689 1 76 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.536 . . . . . . . . . . . 4689 1 77 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.651 . . . . . . . . . . . 4689 1 78 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.894 . . . . . . . . . . . 4689 1 79 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.431 . . . . . . . . . . . 4689 1 80 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.833 . . . . . . . . . . . 4689 1 81 . 1 1 117 117 LEU N N 15 . 1 1 117 117 LEU H H 1 0.898 . . . . . . . . . . . 4689 1 82 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.918 . . . . . . . . . . . 4689 1 83 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.451 . . . . . . . . . . . 4689 1 84 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.680 . . . . . . . . . . . 4689 1 85 . 1 1 121 121 ILE N N 15 . 1 1 121 121 ILE H H 1 0.634 . . . . . . . . . . . 4689 1 86 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.615 . . . . . . . . . . . 4689 1 87 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.229 . . . . . . . . . . . 4689 1 88 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.523 . . . . . . . . . . . 4689 1 89 . 1 1 125 125 MET N N 15 . 1 1 125 125 MET H H 1 0.280 . . . . . . . . . . . 4689 1 90 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.768 . . . . . . . . . . . 4689 1 91 . 1 1 127 127 ARG N N 15 . 1 1 127 127 ARG H H 1 0.633 . . . . . . . . . . . 4689 1 92 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 0.649 . . . . . . . . . . . 4689 1 93 . 1 1 130 130 ASP N N 15 . 1 1 130 130 ASP H H 1 0.321 . . . . . . . . . . . 4689 1 94 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.177 . . . . . . . . . . . 4689 1 95 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.238 . . . . . . . . . . . 4689 1 96 . 1 1 134 134 ARG N N 15 . 1 1 134 134 ARG H H 1 0.129 . . . . . . . . . . . 4689 1 97 . 1 1 135 135 THR N N 15 . 1 1 135 135 THR H H 1 0.035 . . . . . . . . . . . 4689 1 98 . 1 1 136 136 GLY N N 15 . 1 1 136 136 GLY H H 1 0.118 . . . . . . . . . . . 4689 1 99 . 1 1 137 137 GLN N N 15 . 1 1 137 137 GLN H H 1 0.188 . . . . . . . . . . . 4689 1 100 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.362 . . . . . . . . . . . 4689 1 101 . 1 1 139 139 PHE N N 15 . 1 1 139 139 PHE H H 1 0.033 . . . . . . . . . . . 4689 1 102 . 1 1 140 140 LYS N N 15 . 1 1 140 140 LYS H H 1 0.304 . . . . . . . . . . . 4689 1 103 . 1 1 141 141 GLN N N 15 . 1 1 141 141 GLN H H 1 0.182 . . . . . . . . . . . 4689 1 104 . 1 1 142 142 THR N N 15 . 1 1 142 142 THR H H 1 0.170 . . . . . . . . . . . 4689 1 105 . 1 1 143 143 TYR N N 15 . 1 1 143 143 TYR H H 1 0.275 . . . . . . . . . . . 4689 1 106 . 1 1 144 144 SER N N 15 . 1 1 144 144 SER H H 1 0.437 . . . . . . . . . . . 4689 1 107 . 1 1 150 150 SER N N 15 . 1 1 150 150 SER H H 1 0.281 . . . . . . . . . . . 4689 1 108 . 1 1 151 151 HIS N N 15 . 1 1 151 151 HIS H H 1 0.257 . . . . . . . . . . . 4689 1 109 . 1 1 152 152 ASN N N 15 . 1 1 152 152 ASN H H 1 0.362 . . . . . . . . . . . 4689 1 110 . 1 1 154 154 ASP N N 15 . 1 1 154 154 ASP H H 1 0.364 . . . . . . . . . . . 4689 1 111 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.504 . . . . . . . . . . . 4689 1 112 . 1 1 156 156 LEU N N 15 . 1 1 156 156 LEU H H 1 0.456 . . . . . . . . . . . 4689 1 113 . 1 1 157 157 LEU N N 15 . 1 1 157 157 LEU H H 1 0.518 . . . . . . . . . . . 4689 1 114 . 1 1 158 158 LYS N N 15 . 1 1 158 158 LYS H H 1 0.604 . . . . . . . . . . . 4689 1 115 . 1 1 161 161 GLY N N 15 . 1 1 161 161 GLY H H 1 0.503 . . . . . . . . . . . 4689 1 116 . 1 1 162 162 LEU N N 15 . 1 1 162 162 LEU H H 1 0.511 . . . . . . . . . . . 4689 1 117 . 1 1 171 171 ASP N N 15 . 1 1 171 171 ASP H H 1 0.606 . . . . . . . . . . . 4689 1 118 . 1 1 172 172 LYS N N 15 . 1 1 172 172 LYS H H 1 0.694 . . . . . . . . . . . 4689 1 119 . 1 1 173 173 VAL N N 15 . 1 1 173 173 VAL H H 1 0.590 . . . . . . . . . . . 4689 1 120 . 1 1 174 174 GLU N N 15 . 1 1 174 174 GLU H H 1 0.641 . . . . . . . . . . . 4689 1 121 . 1 1 175 175 THR N N 15 . 1 1 175 175 THR H H 1 0.907 . . . . . . . . . . . 4689 1 122 . 1 1 176 176 PHE N N 15 . 1 1 176 176 PHE H H 1 0.851 . . . . . . . . . . . 4689 1 123 . 1 1 177 177 LEU N N 15 . 1 1 177 177 LEU H H 1 0.845 . . . . . . . . . . . 4689 1 124 . 1 1 178 178 ARG N N 15 . 1 1 178 178 ARG H H 1 0.625 . . . . . . . . . . . 4689 1 125 . 1 1 179 179 ILE N N 15 . 1 1 179 179 ILE H H 1 0.705 . . . . . . . . . . . 4689 1 126 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.740 . . . . . . . . . . . 4689 1 127 . 1 1 181 181 GLN N N 15 . 1 1 181 181 GLN H H 1 0.861 . . . . . . . . . . . 4689 1 128 . 1 1 182 182 CYS N N 15 . 1 1 182 182 CYS H H 1 0.555 . . . . . . . . . . . 4689 1 129 . 1 1 183 183 ARG N N 15 . 1 1 183 183 ARG H H 1 0.766 . . . . . . . . . . . 4689 1 130 . 1 1 184 184 SER N N 15 . 1 1 184 184 SER H H 1 0.718 . . . . . . . . . . . 4689 1 131 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 0.751 . . . . . . . . . . . 4689 1 132 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 0.654 . . . . . . . . . . . 4689 1 133 . 1 1 187 187 GLY N N 15 . 1 1 187 187 GLY H H 1 0.297 . . . . . . . . . . . 4689 1 134 . 1 1 188 188 SER N N 15 . 1 1 188 188 SER H H 1 0.461 . . . . . . . . . . . 4689 1 135 . 1 1 189 189 CYS N N 15 . 1 1 189 189 CYS H H 1 0.445 . . . . . . . . . . . 4689 1 136 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.055 . . . . . . . . . . . 4689 1 137 . 1 1 191 191 PHE N N 15 . 1 1 191 191 PHE H H 1 -0.187 . . . . . . . . . . . 4689 1 stop_ save_ save_Heteronuclear_NOE_two _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Heteronuclear_NOE_two _Heteronucl_NOE_list.Entry_ID 4689 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_two _Heteronucl_NOE_list.Spectrometer_frequency_1H 499.98 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type NOE/NONOE _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 2 $sample_2 . 4689 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 THR N N 15 . 1 1 3 3 THR H H 1 0.495 . . . . . . . . . . . 4689 2 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.346 . . . . . . . . . . . 4689 2 3 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.423 . . . . . . . . . . . 4689 2 4 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.791 . . . . . . . . . . . 4689 2 5 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.861 . . . . . . . . . . . 4689 2 6 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.755 . . . . . . . . . . . 4689 2 7 . 1 1 10 10 PHE N N 15 . 1 1 10 10 PHE H H 1 0.642 . . . . . . . . . . . 4689 2 8 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.751 . . . . . . . . . . . 4689 2 9 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.679 . . . . . . . . . . . 4689 2 10 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.652 . . . . . . . . . . . 4689 2 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.811 . . . . . . . . . . . 4689 2 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.605 . . . . . . . . . . . 4689 2 13 . 1 1 16 16 ARG N N 15 . 1 1 16 16 ARG H H 1 0.774 . . . . . . . . . . . 4689 2 14 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.742 . . . . . . . . . . . 4689 2 15 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.651 . . . . . . . . . . . 4689 2 16 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.739 . . . . . . . . . . . 4689 2 17 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.709 . . . . . . . . . . . 4689 2 18 . 1 1 25 25 PHE N N 15 . 1 1 25 25 PHE H H 1 0.685 . . . . . . . . . . . 4689 2 19 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.816 . . . . . . . . . . . 4689 2 20 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.798 . . . . . . . . . . . 4689 2 21 . 1 1 28 28 TYR N N 15 . 1 1 28 28 TYR H H 1 0.575 . . . . . . . . . . . 4689 2 22 . 1 1 29 29 GLN N N 15 . 1 1 29 29 GLN H H 1 0.501 . . . . . . . . . . . 4689 2 23 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.766 . . . . . . . . . . . 4689 2 24 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.722 . . . . . . . . . . . 4689 2 25 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.790 . . . . . . . . . . . 4689 2 26 . 1 1 35 35 TYR N N 15 . 1 1 35 35 TYR H H 1 0.670 . . . . . . . . . . . 4689 2 27 . 1 1 46 46 GLN N N 15 . 1 1 46 46 GLN H H 1 0.306 . . . . . . . . . . . 4689 2 28 . 1 1 47 47 ASN N N 15 . 1 1 47 47 ASN H H 1 0.555 . . . . . . . . . . . 4689 2 29 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.356 . . . . . . . . . . . 4689 2 30 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.455 . . . . . . . . . . . 4689 2 31 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.315 . . . . . . . . . . . 4689 2 32 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.546 . . . . . . . . . . . 4689 2 33 . 1 1 53 53 CYS N N 15 . 1 1 53 53 CYS H H 1 0.738 . . . . . . . . . . . 4689 2 34 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.797 . . . . . . . . . . . 4689 2 35 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.177 . . . . . . . . . . . 4689 2 36 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.591 . . . . . . . . . . . 4689 2 37 . 1 1 63 63 ASN N N 15 . 1 1 63 63 ASN H H 1 0.683 . . . . . . . . . . . 4689 2 38 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.716 . . . . . . . . . . . 4689 2 39 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.809 . . . . . . . . . . . 4689 2 40 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.796 . . . . . . . . . . . 4689 2 41 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.715 . . . . . . . . . . . 4689 2 42 . 1 1 85 85 SER N N 15 . 1 1 85 85 SER H H 1 0.618 . . . . . . . . . . . 4689 2 43 . 1 1 86 86 TRP N N 15 . 1 1 86 86 TRP H H 1 0.924 . . . . . . . . . . . 4689 2 44 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.685 . . . . . . . . . . . 4689 2 45 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.727 . . . . . . . . . . . 4689 2 46 . 1 1 95 95 SER N N 15 . 1 1 95 95 SER H H 1 0.929 . . . . . . . . . . . 4689 2 47 . 1 1 96 96 VAL N N 15 . 1 1 96 96 VAL H H 1 0.674 . . . . . . . . . . . 4689 2 48 . 1 1 98 98 ALA N N 15 . 1 1 98 98 ALA H H 1 0.737 . . . . . . . . . . . 4689 2 49 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.717 . . . . . . . . . . . 4689 2 50 . 1 1 100 100 SER N N 15 . 1 1 100 100 SER H H 1 0.630 . . . . . . . . . . . 4689 2 51 . 1 1 104 104 GLY N N 15 . 1 1 104 104 GLY H H 1 0.772 . . . . . . . . . . . 4689 2 52 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.672 . . . . . . . . . . . 4689 2 53 . 1 1 106 106 SER N N 15 . 1 1 106 106 SER H H 1 0.554 . . . . . . . . . . . 4689 2 54 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.558 . . . . . . . . . . . 4689 2 55 . 1 1 108 108 SER N N 15 . 1 1 108 108 SER H H 1 0.524 . . . . . . . . . . . 4689 2 56 . 1 1 117 117 LEU N N 15 . 1 1 117 117 LEU H H 1 0.690 . . . . . . . . . . . 4689 2 57 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.861 . . . . . . . . . . . 4689 2 58 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.751 . . . . . . . . . . . 4689 2 59 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.706 . . . . . . . . . . . 4689 2 60 . 1 1 121 121 ILE N N 15 . 1 1 121 121 ILE H H 1 0.724 . . . . . . . . . . . 4689 2 61 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.703 . . . . . . . . . . . 4689 2 62 . 1 1 125 125 MET N N 15 . 1 1 125 125 MET H H 1 0.756 . . . . . . . . . . . 4689 2 63 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.883 . . . . . . . . . . . 4689 2 64 . 1 1 127 127 ARG N N 15 . 1 1 127 127 ARG H H 1 0.806 . . . . . . . . . . . 4689 2 65 . 1 1 128 128 LEU N N 15 . 1 1 128 128 LEU H H 1 0.719 . . . . . . . . . . . 4689 2 66 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 0.820 . . . . . . . . . . . 4689 2 67 . 1 1 130 130 ASP N N 15 . 1 1 130 130 ASP H H 1 0.322 . . . . . . . . . . . 4689 2 68 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.590 . . . . . . . . . . . 4689 2 69 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.786 . . . . . . . . . . . 4689 2 70 . 1 1 137 137 GLN N N 15 . 1 1 137 137 GLN H H 1 0.666 . . . . . . . . . . . 4689 2 71 . 1 1 147 147 ASP N N 15 . 1 1 147 147 ASP H H 1 0.358 . . . . . . . . . . . 4689 2 72 . 1 1 148 148 THR N N 15 . 1 1 148 148 THR H H 1 0.379 . . . . . . . . . . . 4689 2 73 . 1 1 149 149 ASN N N 15 . 1 1 149 149 ASN H H 1 0.473 . . . . . . . . . . . 4689 2 74 . 1 1 150 150 SER N N 15 . 1 1 150 150 SER H H 1 0.344 . . . . . . . . . . . 4689 2 75 . 1 1 153 153 ASP N N 15 . 1 1 153 153 ASP H H 1 0.632 . . . . . . . . . . . 4689 2 76 . 1 1 154 154 ASP N N 15 . 1 1 154 154 ASP H H 1 0.468 . . . . . . . . . . . 4689 2 77 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.443 . . . . . . . . . . . 4689 2 78 . 1 1 156 156 LEU N N 15 . 1 1 156 156 LEU H H 1 0.648 . . . . . . . . . . . 4689 2 79 . 1 1 159 159 ASN N N 15 . 1 1 159 159 ASN H H 1 0.731 . . . . . . . . . . . 4689 2 80 . 1 1 160 160 TYR N N 15 . 1 1 160 160 TYR H H 1 0.672 . . . . . . . . . . . 4689 2 81 . 1 1 161 161 GLY N N 15 . 1 1 161 161 GLY H H 1 0.664 . . . . . . . . . . . 4689 2 82 . 1 1 162 162 LEU N N 15 . 1 1 162 162 LEU H H 1 0.657 . . . . . . . . . . . 4689 2 83 . 1 1 163 163 LEU N N 15 . 1 1 163 163 LEU H H 1 0.761 . . . . . . . . . . . 4689 2 84 . 1 1 171 171 ASP N N 15 . 1 1 171 171 ASP H H 1 0.801 . . . . . . . . . . . 4689 2 85 . 1 1 173 173 VAL N N 15 . 1 1 173 173 VAL H H 1 0.711 . . . . . . . . . . . 4689 2 86 . 1 1 174 174 GLU N N 15 . 1 1 174 174 GLU H H 1 0.771 . . . . . . . . . . . 4689 2 87 . 1 1 175 175 THR N N 15 . 1 1 175 175 THR H H 1 0.665 . . . . . . . . . . . 4689 2 88 . 1 1 176 176 PHE N N 15 . 1 1 176 176 PHE H H 1 0.677 . . . . . . . . . . . 4689 2 89 . 1 1 177 177 LEU N N 15 . 1 1 177 177 LEU H H 1 0.741 . . . . . . . . . . . 4689 2 90 . 1 1 178 178 ARG N N 15 . 1 1 178 178 ARG H H 1 0.764 . . . . . . . . . . . 4689 2 91 . 1 1 179 179 ILE N N 15 . 1 1 179 179 ILE H H 1 0.756 . . . . . . . . . . . 4689 2 92 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.781 . . . . . . . . . . . 4689 2 93 . 1 1 181 181 GLN N N 15 . 1 1 181 181 GLN H H 1 0.778 . . . . . . . . . . . 4689 2 94 . 1 1 182 182 CYS N N 15 . 1 1 182 182 CYS H H 1 0.767 . . . . . . . . . . . 4689 2 95 . 1 1 183 183 ARG N N 15 . 1 1 183 183 ARG H H 1 0.800 . . . . . . . . . . . 4689 2 96 . 1 1 184 184 SER N N 15 . 1 1 184 184 SER H H 1 0.632 . . . . . . . . . . . 4689 2 97 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 0.411 . . . . . . . . . . . 4689 2 98 . 1 1 187 187 GLY N N 15 . 1 1 187 187 GLY H H 1 0.520 . . . . . . . . . . . 4689 2 99 . 1 1 188 188 SER N N 15 . 1 1 188 188 SER H H 1 0.700 . . . . . . . . . . . 4689 2 100 . 1 1 191 191 PHE N N 15 . 1 1 191 191 PHE H H 1 -0.022 . . . . . . . . . . . 4689 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_one _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_one _Heteronucl_T1_list.Entry_ID 4689 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T1_list.Spectrometer_frequency_1H 499.98 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 2 $sample_2 . 4689 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 THR N N 15 1.051 0.009 . . . . . 4689 1 2 . 1 1 4 4 ILE N N 15 1.207 0.031 . . . . . 4689 1 3 . 1 1 6 6 LEU N N 15 1.171 0.035 . . . . . 4689 1 4 . 1 1 7 7 SER N N 15 1.174 0.027 . . . . . 4689 1 5 . 1 1 8 8 ARG N N 15 1.192 0.033 . . . . . 4689 1 6 . 1 1 9 9 LEU N N 15 1.343 0.029 . . . . . 4689 1 7 . 1 1 10 10 PHE N N 15 1.263 0.027 . . . . . 4689 1 8 . 1 1 11 11 ASP N N 15 1.268 0.018 . . . . . 4689 1 9 . 1 1 12 12 ASN N N 15 1.315 0.014 . . . . . 4689 1 10 . 1 1 13 13 ALA N N 15 1.258 0.028 . . . . . 4689 1 11 . 1 1 14 14 MET N N 15 1.261 0.031 . . . . . 4689 1 12 . 1 1 15 15 LEU N N 15 1.415 0.013 . . . . . 4689 1 13 . 1 1 16 16 ARG N N 15 1.241 0.048 . . . . . 4689 1 14 . 1 1 17 17 ALA N N 15 1.301 0.042 . . . . . 4689 1 15 . 1 1 18 18 HIS N N 15 1.304 0.037 . . . . . 4689 1 16 . 1 1 19 19 ARG N N 15 1.312 0.018 . . . . . 4689 1 17 . 1 1 20 20 LEU N N 15 1.416 0.010 . . . . . 4689 1 18 . 1 1 23 23 LEU N N 15 1.315 0.034 . . . . . 4689 1 19 . 1 1 24 24 ALA N N 15 1.199 0.047 . . . . . 4689 1 20 . 1 1 25 25 PHE N N 15 1.325 0.034 . . . . . 4689 1 21 . 1 1 26 26 ASP N N 15 1.366 0.047 . . . . . 4689 1 22 . 1 1 31 31 PHE N N 15 1.397 0.040 . . . . . 4689 1 23 . 1 1 32 32 GLU N N 15 1.327 0.018 . . . . . 4689 1 24 . 1 1 33 33 GLU N N 15 1.239 0.031 . . . . . 4689 1 25 . 1 1 34 34 ALA N N 15 1.257 0.022 . . . . . 4689 1 26 . 1 1 35 35 TYR N N 15 1.278 0.067 . . . . . 4689 1 27 . 1 1 36 36 ILE N N 15 1.406 0.035 . . . . . 4689 1 28 . 1 1 39 39 GLU N N 15 1.419 0.022 . . . . . 4689 1 29 . 1 1 40 40 GLN N N 15 1.396 0.016 . . . . . 4689 1 30 . 1 1 41 41 LYS N N 15 1.271 0.044 . . . . . 4689 1 31 . 1 1 42 42 TYR N N 15 1.384 0.014 . . . . . 4689 1 32 . 1 1 43 43 SER N N 15 1.421 0.014 . . . . . 4689 1 33 . 1 1 44 44 PHE N N 15 1.558 0.024 . . . . . 4689 1 34 . 1 1 45 45 LEU N N 15 1.424 0.026 . . . . . 4689 1 35 . 1 1 46 46 GLN N N 15 1.472 0.022 . . . . . 4689 1 36 . 1 1 47 47 ASN N N 15 1.378 0.014 . . . . . 4689 1 37 . 1 1 49 49 GLN N N 15 1.459 0.017 . . . . . 4689 1 38 . 1 1 50 50 THR N N 15 1.509 0.028 . . . . . 4689 1 39 . 1 1 51 51 SER N N 15 1.489 0.028 . . . . . 4689 1 40 . 1 1 52 52 LEU N N 15 1.339 0.027 . . . . . 4689 1 41 . 1 1 53 53 CYS N N 15 1.328 0.030 . . . . . 4689 1 42 . 1 1 56 56 GLU N N 15 1.440 0.060 . . . . . 4689 1 43 . 1 1 57 57 SER N N 15 1.335 0.044 . . . . . 4689 1 44 . 1 1 58 58 ILE N N 15 1.181 0.049 . . . . . 4689 1 45 . 1 1 60 60 THR N N 15 1.298 0.029 . . . . . 4689 1 46 . 1 1 77 77 ARG N N 15 1.369 0.031 . . . . . 4689 1 47 . 1 1 78 78 ILE N N 15 1.297 0.022 . . . . . 4689 1 48 . 1 1 79 79 SER N N 15 1.240 0.043 . . . . . 4689 1 49 . 1 1 80 80 LEU N N 15 1.335 0.043 . . . . . 4689 1 50 . 1 1 81 81 LEU N N 15 1.378 0.026 . . . . . 4689 1 51 . 1 1 82 82 LEU N N 15 1.341 0.029 . . . . . 4689 1 52 . 1 1 83 83 ILE N N 15 1.304 0.025 . . . . . 4689 1 53 . 1 1 84 84 GLN N N 15 1.397 0.041 . . . . . 4689 1 54 . 1 1 85 85 SER N N 15 1.367 0.029 . . . . . 4689 1 55 . 1 1 86 86 TRP N N 15 1.161 0.203 . . . . . 4689 1 56 . 1 1 91 91 GLN N N 15 1.347 0.021 . . . . . 4689 1 57 . 1 1 92 92 PHE N N 15 1.346 0.014 . . . . . 4689 1 58 . 1 1 93 93 LEU N N 15 1.395 0.014 . . . . . 4689 1 59 . 1 1 94 94 ARG N N 15 1.238 0.027 . . . . . 4689 1 60 . 1 1 95 95 SER N N 15 1.452 0.099 . . . . . 4689 1 61 . 1 1 96 96 VAL N N 15 1.326 0.036 . . . . . 4689 1 62 . 1 1 97 97 PHE N N 15 1.543 0.073 . . . . . 4689 1 63 . 1 1 98 98 ALA N N 15 1.488 0.036 . . . . . 4689 1 64 . 1 1 99 99 ASN N N 15 1.366 0.021 . . . . . 4689 1 65 . 1 1 100 100 SER N N 15 1.437 0.021 . . . . . 4689 1 66 . 1 1 101 101 LEU N N 15 1.470 0.024 . . . . . 4689 1 67 . 1 1 102 102 VAL N N 15 1.430 0.032 . . . . . 4689 1 68 . 1 1 103 103 TYR N N 15 1.400 0.051 . . . . . 4689 1 69 . 1 1 104 104 GLY N N 15 1.501 0.042 . . . . . 4689 1 70 . 1 1 105 105 ALA N N 15 1.472 0.029 . . . . . 4689 1 71 . 1 1 106 106 SER N N 15 1.378 0.018 . . . . . 4689 1 72 . 1 1 107 107 ASP N N 15 1.378 0.013 . . . . . 4689 1 73 . 1 1 108 108 SER N N 15 1.416 0.016 . . . . . 4689 1 74 . 1 1 109 109 ASN N N 15 1.453 0.036 . . . . . 4689 1 75 . 1 1 111 111 TYR N N 15 1.310 0.025 . . . . . 4689 1 76 . 1 1 112 112 ASP N N 15 1.340 0.023 . . . . . 4689 1 77 . 1 1 113 113 LEU N N 15 1.288 0.017 . . . . . 4689 1 78 . 1 1 114 114 LEU N N 15 1.345 0.057 . . . . . 4689 1 79 . 1 1 115 115 LYS N N 15 1.349 0.019 . . . . . 4689 1 80 . 1 1 116 116 ASP N N 15 1.290 0.026 . . . . . 4689 1 81 . 1 1 117 117 LEU N N 15 1.334 0.040 . . . . . 4689 1 82 . 1 1 118 118 GLU N N 15 1.362 0.037 . . . . . 4689 1 83 . 1 1 119 119 GLU N N 15 1.314 0.030 . . . . . 4689 1 84 . 1 1 120 120 GLY N N 15 1.313 0.031 . . . . . 4689 1 85 . 1 1 121 121 ILE N N 15 1.385 0.048 . . . . . 4689 1 86 . 1 1 122 122 GLN N N 15 1.365 0.024 . . . . . 4689 1 87 . 1 1 123 123 THR N N 15 1.185 0.022 . . . . . 4689 1 88 . 1 1 124 124 LEU N N 15 1.360 0.017 . . . . . 4689 1 89 . 1 1 125 125 MET N N 15 1.245 0.036 . . . . . 4689 1 90 . 1 1 126 126 GLY N N 15 1.354 0.039 . . . . . 4689 1 91 . 1 1 127 127 ARG N N 15 1.275 0.025 . . . . . 4689 1 92 . 1 1 129 129 GLU N N 15 1.420 0.022 . . . . . 4689 1 93 . 1 1 130 130 ASP N N 15 1.477 0.021 . . . . . 4689 1 94 . 1 1 131 131 GLY N N 15 1.437 0.020 . . . . . 4689 1 95 . 1 1 132 132 SER N N 15 1.407 0.013 . . . . . 4689 1 96 . 1 1 134 134 ARG N N 15 1.455 0.016 . . . . . 4689 1 97 . 1 1 135 135 THR N N 15 1.424 0.011 . . . . . 4689 1 98 . 1 1 136 136 GLY N N 15 1.494 0.014 . . . . . 4689 1 99 . 1 1 137 137 GLN N N 15 1.429 0.013 . . . . . 4689 1 100 . 1 1 138 138 ILE N N 15 1.454 0.020 . . . . . 4689 1 101 . 1 1 139 139 PHE N N 15 1.553 0.027 . . . . . 4689 1 102 . 1 1 140 140 LYS N N 15 1.486 0.015 . . . . . 4689 1 103 . 1 1 141 141 GLN N N 15 1.434 0.047 . . . . . 4689 1 104 . 1 1 142 142 THR N N 15 1.384 0.028 . . . . . 4689 1 105 . 1 1 143 143 TYR N N 15 1.469 0.020 . . . . . 4689 1 106 . 1 1 144 144 SER N N 15 1.409 0.019 . . . . . 4689 1 107 . 1 1 150 150 SER N N 15 1.445 0.012 . . . . . 4689 1 108 . 1 1 151 151 HIS N N 15 1.438 0.023 . . . . . 4689 1 109 . 1 1 152 152 ASN N N 15 1.445 0.029 . . . . . 4689 1 110 . 1 1 154 154 ASP N N 15 1.404 0.022 . . . . . 4689 1 111 . 1 1 155 155 ALA N N 15 1.410 0.042 . . . . . 4689 1 112 . 1 1 156 156 LEU N N 15 1.341 0.020 . . . . . 4689 1 113 . 1 1 157 157 LEU N N 15 1.420 0.028 . . . . . 4689 1 114 . 1 1 158 158 LYS N N 15 1.311 0.034 . . . . . 4689 1 115 . 1 1 161 161 GLY N N 15 1.370 0.099 . . . . . 4689 1 116 . 1 1 162 162 LEU N N 15 1.392 0.034 . . . . . 4689 1 117 . 1 1 171 171 ASP N N 15 1.459 0.022 . . . . . 4689 1 118 . 1 1 172 172 LYS N N 15 1.340 0.042 . . . . . 4689 1 119 . 1 1 173 173 VAL N N 15 1.365 0.039 . . . . . 4689 1 120 . 1 1 174 174 GLU N N 15 1.267 0.043 . . . . . 4689 1 121 . 1 1 175 175 THR N N 15 1.287 0.042 . . . . . 4689 1 122 . 1 1 176 176 PHE N N 15 1.349 0.041 . . . . . 4689 1 123 . 1 1 177 177 LEU N N 15 1.258 0.022 . . . . . 4689 1 124 . 1 1 178 178 ARG N N 15 1.329 0.021 . . . . . 4689 1 125 . 1 1 179 179 ILE N N 15 1.291 0.022 . . . . . 4689 1 126 . 1 1 180 180 VAL N N 15 1.313 0.039 . . . . . 4689 1 127 . 1 1 181 181 GLN N N 15 1.246 0.042 . . . . . 4689 1 128 . 1 1 182 182 CYS N N 15 1.298 0.030 . . . . . 4689 1 129 . 1 1 183 183 ARG N N 15 1.342 0.047 . . . . . 4689 1 130 . 1 1 184 184 SER N N 15 1.325 0.032 . . . . . 4689 1 131 . 1 1 185 185 VAL N N 15 1.297 0.036 . . . . . 4689 1 132 . 1 1 186 186 GLU N N 15 1.335 0.027 . . . . . 4689 1 133 . 1 1 187 187 GLY N N 15 1.299 0.027 . . . . . 4689 1 134 . 1 1 188 188 SER N N 15 1.344 0.015 . . . . . 4689 1 135 . 1 1 189 189 CYS N N 15 1.386 0.044 . . . . . 4689 1 136 . 1 1 190 190 GLY N N 15 1.379 0.015 . . . . . 4689 1 137 . 1 1 191 191 PHE N N 15 1.220 0.010 . . . . . 4689 1 stop_ save_ save_T1_two _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_two _Heteronucl_T1_list.Entry_ID 4689 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_two _Heteronucl_T1_list.Spectrometer_frequency_1H 499.98 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 2 $sample_2 . 4689 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 THR N N 15 1.233 0.071 . . . . . 4689 2 2 . 1 1 4 4 ILE N N 15 1.382 0.211 . . . . . 4689 2 3 . 1 1 6 6 LEU N N 15 1.169 0.331 . . . . . 4689 2 4 . 1 1 7 7 SER N N 15 1.282 0.106 . . . . . 4689 2 5 . 1 1 8 8 ARG N N 15 1.412 0.073 . . . . . 4689 2 6 . 1 1 9 9 LEU N N 15 1.338 0.050 . . . . . 4689 2 7 . 1 1 10 10 PHE N N 15 1.257 0.043 . . . . . 4689 2 8 . 1 1 11 11 ASP N N 15 1.221 0.045 . . . . . 4689 2 9 . 1 1 12 12 ASN N N 15 1.258 0.033 . . . . . 4689 2 10 . 1 1 13 13 ALA N N 15 1.238 0.039 . . . . . 4689 2 11 . 1 1 14 14 MET N N 15 1.273 0.056 . . . . . 4689 2 12 . 1 1 15 15 LEU N N 15 1.269 0.039 . . . . . 4689 2 13 . 1 1 16 16 ARG N N 15 1.259 0.037 . . . . . 4689 2 14 . 1 1 17 17 ALA N N 15 1.339 0.060 . . . . . 4689 2 15 . 1 1 18 18 HIS N N 15 1.208 0.061 . . . . . 4689 2 16 . 1 1 23 23 LEU N N 15 1.311 0.061 . . . . . 4689 2 17 . 1 1 24 24 ALA N N 15 1.148 0.059 . . . . . 4689 2 18 . 1 1 25 25 PHE N N 15 1.355 0.092 . . . . . 4689 2 19 . 1 1 26 26 ASP N N 15 1.219 0.062 . . . . . 4689 2 20 . 1 1 27 27 THR N N 15 1.082 0.070 . . . . . 4689 2 21 . 1 1 28 28 TYR N N 15 1.360 0.060 . . . . . 4689 2 22 . 1 1 29 29 GLN N N 15 1.529 0.076 . . . . . 4689 2 23 . 1 1 32 32 GLU N N 15 1.159 0.075 . . . . . 4689 2 24 . 1 1 33 33 GLU N N 15 1.201 0.049 . . . . . 4689 2 25 . 1 1 34 34 ALA N N 15 1.222 0.032 . . . . . 4689 2 26 . 1 1 35 35 TYR N N 15 1.114 0.052 . . . . . 4689 2 27 . 1 1 46 46 GLN N N 15 1.475 0.082 . . . . . 4689 2 28 . 1 1 47 47 ASN N N 15 1.517 0.106 . . . . . 4689 2 29 . 1 1 49 49 GLN N N 15 1.495 0.057 . . . . . 4689 2 30 . 1 1 50 50 THR N N 15 1.212 0.196 . . . . . 4689 2 31 . 1 1 51 51 SER N N 15 1.553 0.195 . . . . . 4689 2 32 . 1 1 52 52 LEU N N 15 1.447 0.063 . . . . . 4689 2 33 . 1 1 53 53 CYS N N 15 1.351 0.049 . . . . . 4689 2 34 . 1 1 56 56 GLU N N 15 1.379 0.083 . . . . . 4689 2 35 . 1 1 57 57 SER N N 15 1.369 0.307 . . . . . 4689 2 36 . 1 1 58 58 ILE N N 15 1.416 0.110 . . . . . 4689 2 37 . 1 1 63 63 ASN N N 15 1.472 0.110 . . . . . 4689 2 38 . 1 1 79 79 SER N N 15 1.380 0.079 . . . . . 4689 2 39 . 1 1 82 82 LEU N N 15 1.342 0.080 . . . . . 4689 2 40 . 1 1 83 83 ILE N N 15 1.346 0.056 . . . . . 4689 2 41 . 1 1 84 84 GLN N N 15 1.373 0.076 . . . . . 4689 2 42 . 1 1 85 85 SER N N 15 1.404 0.130 . . . . . 4689 2 43 . 1 1 86 86 TRP N N 15 1.332 0.094 . . . . . 4689 2 44 . 1 1 90 90 VAL N N 15 1.422 0.092 . . . . . 4689 2 45 . 1 1 91 91 GLN N N 15 1.356 0.060 . . . . . 4689 2 46 . 1 1 95 95 SER N N 15 1.380 0.113 . . . . . 4689 2 47 . 1 1 96 96 VAL N N 15 1.296 0.067 . . . . . 4689 2 48 . 1 1 98 98 ALA N N 15 1.358 0.030 . . . . . 4689 2 49 . 1 1 99 99 ASN N N 15 1.605 0.103 . . . . . 4689 2 50 . 1 1 100 100 SER N N 15 1.468 0.068 . . . . . 4689 2 51 . 1 1 104 104 GLY N N 15 1.410 0.199 . . . . . 4689 2 52 . 1 1 105 105 ALA N N 15 1.503 0.053 . . . . . 4689 2 53 . 1 1 106 106 SER N N 15 1.640 0.209 . . . . . 4689 2 54 . 1 1 107 107 ASP N N 15 1.625 0.061 . . . . . 4689 2 55 . 1 1 108 108 SER N N 15 1.493 0.056 . . . . . 4689 2 56 . 1 1 117 117 LEU N N 15 1.254 0.039 . . . . . 4689 2 57 . 1 1 118 118 GLU N N 15 1.201 0.041 . . . . . 4689 2 58 . 1 1 119 119 GLU N N 15 1.320 0.025 . . . . . 4689 2 59 . 1 1 120 120 GLY N N 15 1.261 0.056 . . . . . 4689 2 60 . 1 1 121 121 ILE N N 15 1.309 0.053 . . . . . 4689 2 61 . 1 1 122 122 GLN N N 15 1.389 0.041 . . . . . 4689 2 62 . 1 1 125 125 MET N N 15 1.293 0.065 . . . . . 4689 2 63 . 1 1 126 126 GLY N N 15 1.307 0.068 . . . . . 4689 2 64 . 1 1 127 127 ARG N N 15 1.237 0.028 . . . . . 4689 2 65 . 1 1 128 128 LEU N N 15 1.292 0.037 . . . . . 4689 2 66 . 1 1 129 129 GLU N N 15 1.536 0.075 . . . . . 4689 2 67 . 1 1 130 130 ASP N N 15 1.638 0.125 . . . . . 4689 2 68 . 1 1 131 131 GLY N N 15 1.296 0.288 . . . . . 4689 2 69 . 1 1 132 132 SER N N 15 1.274 0.057 . . . . . 4689 2 70 . 1 1 137 137 GLN N N 15 1.642 0.250 . . . . . 4689 2 71 . 1 1 147 147 ASP N N 15 1.887 0.485 . . . . . 4689 2 72 . 1 1 148 148 THR N N 15 1.653 0.236 . . . . . 4689 2 73 . 1 1 149 149 ASN N N 15 1.366 0.126 . . . . . 4689 2 74 . 1 1 150 150 SER N N 15 1.148 0.172 . . . . . 4689 2 75 . 1 1 153 153 ASP N N 15 1.370 0.042 . . . . . 4689 2 76 . 1 1 154 154 ASP N N 15 1.499 0.042 . . . . . 4689 2 77 . 1 1 155 155 ALA N N 15 1.378 0.185 . . . . . 4689 2 78 . 1 1 156 156 LEU N N 15 1.400 0.041 . . . . . 4689 2 79 . 1 1 159 159 ASN N N 15 1.245 0.051 . . . . . 4689 2 80 . 1 1 160 160 TYR N N 15 1.242 0.049 . . . . . 4689 2 81 . 1 1 161 161 GLY N N 15 1.354 0.118 . . . . . 4689 2 82 . 1 1 162 162 LEU N N 15 1.213 0.068 . . . . . 4689 2 83 . 1 1 163 163 LEU N N 15 1.300 0.116 . . . . . 4689 2 84 . 1 1 171 171 ASP N N 15 1.273 0.085 . . . . . 4689 2 85 . 1 1 173 173 VAL N N 15 1.420 0.053 . . . . . 4689 2 86 . 1 1 174 174 GLU N N 15 1.218 0.026 . . . . . 4689 2 87 . 1 1 175 175 THR N N 15 1.371 0.094 . . . . . 4689 2 88 . 1 1 176 176 PHE N N 15 1.294 0.039 . . . . . 4689 2 89 . 1 1 177 177 LEU N N 15 1.260 0.043 . . . . . 4689 2 90 . 1 1 178 178 ARG N N 15 1.312 0.043 . . . . . 4689 2 91 . 1 1 179 179 ILE N N 15 1.254 0.030 . . . . . 4689 2 92 . 1 1 180 180 VAL N N 15 1.398 0.046 . . . . . 4689 2 93 . 1 1 181 181 GLN N N 15 1.256 0.103 . . . . . 4689 2 94 . 1 1 182 182 CYS N N 15 1.337 0.068 . . . . . 4689 2 95 . 1 1 183 183 ARG N N 15 1.289 0.076 . . . . . 4689 2 96 . 1 1 184 184 SER N N 15 1.160 0.069 . . . . . 4689 2 97 . 1 1 186 186 GLU N N 15 1.525 0.263 . . . . . 4689 2 98 . 1 1 187 187 GLY N N 15 1.643 0.322 . . . . . 4689 2 99 . 1 1 188 188 SER N N 15 1.433 0.074 . . . . . 4689 2 100 . 1 1 191 191 PHE N N 15 1.277 0.017 . . . . . 4689 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_one _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_one _Heteronucl_T2_list.Entry_ID 4689 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_one _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 499.98 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 2 $sample_2 . 4689 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 THR N N 15 4.355 . . . . . . . . 4689 1 2 . 1 1 4 4 ILE N N 15 7.713 . . . . . . . . 4689 1 3 . 1 1 6 6 LEU N N 15 14.264 . . . . . . . . 4689 1 4 . 1 1 7 7 SER N N 15 15.090 . . . . . . . . 4689 1 5 . 1 1 8 8 ARG N N 15 15.938 . . . . . . . . 4689 1 6 . 1 1 9 9 LEU N N 15 16.074 . . . . . . . . 4689 1 7 . 1 1 10 10 PHE N N 15 17.643 . . . . . . . . 4689 1 8 . 1 1 11 11 ASP N N 15 15.779 . . . . . . . . 4689 1 9 . 1 1 12 12 ASN N N 15 16.320 . . . . . . . . 4689 1 10 . 1 1 13 13 ALA N N 15 15.980 . . . . . . . . 4689 1 11 . 1 1 14 14 MET N N 15 16.489 . . . . . . . . 4689 1 12 . 1 1 15 15 LEU N N 15 9.439 . . . . . . . . 4689 1 13 . 1 1 16 16 ARG N N 15 17.417 . . . . . . . . 4689 1 14 . 1 1 17 17 ALA N N 15 17.092 . . . . . . . . 4689 1 15 . 1 1 18 18 HIS N N 15 16.285 . . . . . . . . 4689 1 16 . 1 1 19 19 ARG N N 15 13.989 . . . . . . . . 4689 1 17 . 1 1 20 20 LEU N N 15 9.884 . . . . . . . . 4689 1 18 . 1 1 23 23 LEU N N 15 15.154 . . . . . . . . 4689 1 19 . 1 1 24 24 ALA N N 15 19.692 . . . . . . . . 4689 1 20 . 1 1 25 25 PHE N N 15 15.997 . . . . . . . . 4689 1 21 . 1 1 26 26 ASP N N 15 18.528 . . . . . . . . 4689 1 22 . 1 1 31 31 PHE N N 15 17.502 . . . . . . . . 4689 1 23 . 1 1 32 32 GLU N N 15 16.730 . . . . . . . . 4689 1 24 . 1 1 33 33 GLU N N 15 14.805 . . . . . . . . 4689 1 25 . 1 1 34 34 ALA N N 15 16.951 . . . . . . . . 4689 1 26 . 1 1 35 35 TYR N N 15 20.125 . . . . . . . . 4689 1 27 . 1 1 36 36 ILE N N 15 18.736 . . . . . . . . 4689 1 28 . 1 1 39 39 GLU N N 15 11.251 . . . . . . . . 4689 1 29 . 1 1 40 40 GLN N N 15 11.290 . . . . . . . . 4689 1 30 . 1 1 41 41 LYS N N 15 17.554 . . . . . . . . 4689 1 31 . 1 1 42 42 TYR N N 15 12.509 . . . . . . . . 4689 1 32 . 1 1 43 43 SER N N 15 9.915 . . . . . . . . 4689 1 33 . 1 1 44 44 PHE N N 15 11.287 . . . . . . . . 4689 1 34 . 1 1 45 45 LEU N N 15 13.219 . . . . . . . . 4689 1 35 . 1 1 46 46 GLN N N 15 11.558 . . . . . . . . 4689 1 36 . 1 1 47 47 ASN N N 15 11.042 . . . . . . . . 4689 1 37 . 1 1 49 49 GLN N N 15 11.126 . . . . . . . . 4689 1 38 . 1 1 50 50 THR N N 15 10.623 . . . . . . . . 4689 1 39 . 1 1 51 51 SER N N 15 11.626 . . . . . . . . 4689 1 40 . 1 1 52 52 LEU N N 15 7.335 . . . . . . . . 4689 1 41 . 1 1 53 53 CYS N N 15 15.652 . . . . . . . . 4689 1 42 . 1 1 56 56 GLU N N 15 22.675 . . . . . . . . 4689 1 43 . 1 1 57 57 SER N N 15 15.582 . . . . . . . . 4689 1 44 . 1 1 58 58 ILE N N 15 16.050 . . . . . . . . 4689 1 45 . 1 1 60 60 THR N N 15 17.000 . . . . . . . . 4689 1 46 . 1 1 77 77 ARG N N 15 16.526 . . . . . . . . 4689 1 47 . 1 1 78 78 ILE N N 15 16.116 . . . . . . . . 4689 1 48 . 1 1 79 79 SER N N 15 16.102 . . . . . . . . 4689 1 49 . 1 1 80 80 LEU N N 15 16.437 . . . . . . . . 4689 1 50 . 1 1 81 81 LEU N N 15 18.342 . . . . . . . . 4689 1 51 . 1 1 82 82 LEU N N 15 14.996 . . . . . . . . 4689 1 52 . 1 1 83 83 ILE N N 15 15.665 . . . . . . . . 4689 1 53 . 1 1 84 84 GLN N N 15 15.983 . . . . . . . . 4689 1 54 . 1 1 85 85 SER N N 15 15.029 . . . . . . . . 4689 1 55 . 1 1 86 86 TRP N N 15 23.987 . . . . . . . . 4689 1 56 . 1 1 91 91 GLN N N 15 10.854 . . . . . . . . 4689 1 57 . 1 1 92 92 PHE N N 15 14.972 . . . . . . . . 4689 1 58 . 1 1 93 93 LEU N N 15 10.005 . . . . . . . . 4689 1 59 . 1 1 94 94 ARG N N 15 16.389 . . . . . . . . 4689 1 60 . 1 1 95 95 SER N N 15 16.575 . . . . . . . . 4689 1 61 . 1 1 96 96 VAL N N 15 17.942 . . . . . . . . 4689 1 62 . 1 1 97 97 PHE N N 15 17.107 . . . . . . . . 4689 1 63 . 1 1 98 98 ALA N N 15 15.307 . . . . . . . . 4689 1 64 . 1 1 99 99 ASN N N 15 9.802 . . . . . . . . 4689 1 65 . 1 1 100 100 SER N N 15 12.142 . . . . . . . . 4689 1 66 . 1 1 101 101 LEU N N 15 12.902 . . . . . . . . 4689 1 67 . 1 1 102 102 VAL N N 15 16.704 . . . . . . . . 4689 1 68 . 1 1 103 103 TYR N N 15 12.524 . . . . . . . . 4689 1 69 . 1 1 104 104 GLY N N 15 12.557 . . . . . . . . 4689 1 70 . 1 1 105 105 ALA N N 15 13.280 . . . . . . . . 4689 1 71 . 1 1 106 106 SER N N 15 10.142 . . . . . . . . 4689 1 72 . 1 1 107 107 ASP N N 15 10.936 . . . . . . . . 4689 1 73 . 1 1 108 108 SER N N 15 10.694 . . . . . . . . 4689 1 74 . 1 1 109 109 ASN N N 15 11.139 . . . . . . . . 4689 1 75 . 1 1 111 111 TYR N N 15 14.791 . . . . . . . . 4689 1 76 . 1 1 112 112 ASP N N 15 14.098 . . . . . . . . 4689 1 77 . 1 1 113 113 LEU N N 15 15.027 . . . . . . . . 4689 1 78 . 1 1 114 114 LEU N N 15 18.651 . . . . . . . . 4689 1 79 . 1 1 115 115 LYS N N 15 14.839 . . . . . . . . 4689 1 80 . 1 1 116 116 ASP N N 15 16.588 . . . . . . . . 4689 1 81 . 1 1 117 117 LEU N N 15 15.807 . . . . . . . . 4689 1 82 . 1 1 118 118 GLU N N 15 15.294 . . . . . . . . 4689 1 83 . 1 1 119 119 GLU N N 15 14.713 . . . . . . . . 4689 1 84 . 1 1 120 120 GLY N N 15 15.421 . . . . . . . . 4689 1 85 . 1 1 121 121 ILE N N 15 16.261 . . . . . . . . 4689 1 86 . 1 1 122 122 GLN N N 15 14.198 . . . . . . . . 4689 1 87 . 1 1 123 123 THR N N 15 9.892 . . . . . . . . 4689 1 88 . 1 1 124 124 LEU N N 15 10.514 . . . . . . . . 4689 1 89 . 1 1 125 125 MET N N 15 11.329 . . . . . . . . 4689 1 90 . 1 1 126 126 GLY N N 15 15.383 . . . . . . . . 4689 1 91 . 1 1 127 127 ARG N N 15 15.552 . . . . . . . . 4689 1 92 . 1 1 129 129 GLU N N 15 13.161 . . . . . . . . 4689 1 93 . 1 1 130 130 ASP N N 15 8.814 . . . . . . . . 4689 1 94 . 1 1 131 131 GLY N N 15 5.205 . . . . . . . . 4689 1 95 . 1 1 132 132 SER N N 15 5.945 . . . . . . . . 4689 1 96 . 1 1 134 134 ARG N N 15 5.957 . . . . . . . . 4689 1 97 . 1 1 135 135 THR N N 15 6.537 . . . . . . . . 4689 1 98 . 1 1 136 136 GLY N N 15 4.634 . . . . . . . . 4689 1 99 . 1 1 137 137 GLN N N 15 7.781 . . . . . . . . 4689 1 100 . 1 1 138 138 ILE N N 15 8.415 . . . . . . . . 4689 1 101 . 1 1 139 139 PHE N N 15 10.204 . . . . . . . . 4689 1 102 . 1 1 140 140 LYS N N 15 9.491 . . . . . . . . 4689 1 103 . 1 1 141 141 GLN N N 15 9.690 . . . . . . . . 4689 1 104 . 1 1 142 142 THR N N 15 10.026 . . . . . . . . 4689 1 105 . 1 1 143 143 TYR N N 15 13.086 . . . . . . . . 4689 1 106 . 1 1 144 144 SER N N 15 12.379 . . . . . . . . 4689 1 107 . 1 1 150 150 SER N N 15 8.162 . . . . . . . . 4689 1 108 . 1 1 151 151 HIS N N 15 10.668 . . . . . . . . 4689 1 109 . 1 1 152 152 ASN N N 15 9.940 . . . . . . . . 4689 1 110 . 1 1 154 154 ASP N N 15 11.268 . . . . . . . . 4689 1 111 . 1 1 155 155 ALA N N 15 14.009 . . . . . . . . 4689 1 112 . 1 1 156 156 LEU N N 15 14.518 . . . . . . . . 4689 1 113 . 1 1 157 157 LEU N N 15 12.235 . . . . . . . . 4689 1 114 . 1 1 158 158 LYS N N 15 17.432 . . . . . . . . 4689 1 115 . 1 1 161 161 GLY N N 15 25.896 . . . . . . . . 4689 1 116 . 1 1 162 162 LEU N N 15 15.996 . . . . . . . . 4689 1 117 . 1 1 171 171 ASP N N 15 10.250 . . . . . . . . 4689 1 118 . 1 1 172 172 LYS N N 15 9.248 . . . . . . . . 4689 1 119 . 1 1 173 173 VAL N N 15 18.289 . . . . . . . . 4689 1 120 . 1 1 174 174 GLU N N 15 18.168 . . . . . . . . 4689 1 121 . 1 1 175 175 THR N N 15 16.535 . . . . . . . . 4689 1 122 . 1 1 176 176 PHE N N 15 17.807 . . . . . . . . 4689 1 123 . 1 1 177 177 LEU N N 15 17.118 . . . . . . . . 4689 1 124 . 1 1 178 178 ARG N N 15 16.027 . . . . . . . . 4689 1 125 . 1 1 179 179 ILE N N 15 15.469 . . . . . . . . 4689 1 126 . 1 1 180 180 VAL N N 15 17.118 . . . . . . . . 4689 1 127 . 1 1 181 181 GLN N N 15 17.909 . . . . . . . . 4689 1 128 . 1 1 182 182 CYS N N 15 14.722 . . . . . . . . 4689 1 129 . 1 1 183 183 ARG N N 15 17.302 . . . . . . . . 4689 1 130 . 1 1 184 184 SER N N 15 16.014 . . . . . . . . 4689 1 131 . 1 1 185 185 VAL N N 15 16.496 . . . . . . . . 4689 1 132 . 1 1 186 186 GLU N N 15 13.414 . . . . . . . . 4689 1 133 . 1 1 187 187 GLY N N 15 9.374 . . . . . . . . 4689 1 134 . 1 1 188 188 SER N N 15 11.149 . . . . . . . . 4689 1 135 . 1 1 189 189 CYS N N 15 17.782 . . . . . . . . 4689 1 136 . 1 1 190 190 GLY N N 15 5.566 . . . . . . . . 4689 1 137 . 1 1 191 191 PHE N N 15 3.750 . . . . . . . . 4689 1 stop_ save_ save_T2_two _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_two _Heteronucl_T2_list.Entry_ID 4689 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_two _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 499.98 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 2 $sample_2 . 4689 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 THR N N 15 15.537 . . . . . . . . 4689 2 2 . 1 1 4 4 ILE N N 15 16.916 . . . . . . . . 4689 2 3 . 1 1 6 6 LEU N N 15 27.383 . . . . . . . . 4689 2 4 . 1 1 7 7 SER N N 15 22.153 . . . . . . . . 4689 2 5 . 1 1 8 8 ARG N N 15 20.739 . . . . . . . . 4689 2 6 . 1 1 9 9 LEU N N 15 20.361 . . . . . . . . 4689 2 7 . 1 1 10 10 PHE N N 15 19.227 . . . . . . . . 4689 2 8 . 1 1 11 11 ASP N N 15 18.801 . . . . . . . . 4689 2 9 . 1 1 12 12 ASN N N 15 19.395 . . . . . . . . 4689 2 10 . 1 1 13 13 ALA N N 15 19.922 . . . . . . . . 4689 2 11 . 1 1 14 14 MET N N 15 20.389 . . . . . . . . 4689 2 12 . 1 1 15 15 LEU N N 15 18.301 . . . . . . . . 4689 2 13 . 1 1 16 16 ARG N N 15 18.320 . . . . . . . . 4689 2 14 . 1 1 17 17 ALA N N 15 20.415 . . . . . . . . 4689 2 15 . 1 1 18 18 HIS N N 15 19.837 . . . . . . . . 4689 2 16 . 1 1 23 23 LEU N N 15 21.080 . . . . . . . . 4689 2 17 . 1 1 24 24 ALA N N 15 19.937 . . . . . . . . 4689 2 18 . 1 1 25 25 PHE N N 15 20.742 . . . . . . . . 4689 2 19 . 1 1 26 26 ASP N N 15 18.474 . . . . . . . . 4689 2 20 . 1 1 27 27 THR N N 15 21.680 . . . . . . . . 4689 2 21 . 1 1 28 28 TYR N N 15 20.161 . . . . . . . . 4689 2 22 . 1 1 29 29 GLN N N 15 17.395 . . . . . . . . 4689 2 23 . 1 1 32 32 GLU N N 15 20.322 . . . . . . . . 4689 2 24 . 1 1 33 33 GLU N N 15 18.713 . . . . . . . . 4689 2 25 . 1 1 34 34 ALA N N 15 19.061 . . . . . . . . 4689 2 26 . 1 1 35 35 TYR N N 15 16.386 . . . . . . . . 4689 2 27 . 1 1 46 46 GLN N N 15 19.504 . . . . . . . . 4689 2 28 . 1 1 47 47 ASN N N 15 20.562 . . . . . . . . 4689 2 29 . 1 1 49 49 GLN N N 15 20.360 . . . . . . . . 4689 2 30 . 1 1 50 50 THR N N 15 25.500 . . . . . . . . 4689 2 31 . 1 1 51 51 SER N N 15 17.061 . . . . . . . . 4689 2 32 . 1 1 52 52 LEU N N 15 16.607 . . . . . . . . 4689 2 33 . 1 1 53 53 CYS N N 15 19.744 . . . . . . . . 4689 2 34 . 1 1 56 56 GLU N N 15 23.436 . . . . . . . . 4689 2 35 . 1 1 57 57 SER N N 15 13.709 . . . . . . . . 4689 2 36 . 1 1 58 58 ILE N N 15 18.229 . . . . . . . . 4689 2 37 . 1 1 63 63 ASN N N 15 20.956 . . . . . . . . 4689 2 38 . 1 1 79 79 SER N N 15 18.910 . . . . . . . . 4689 2 39 . 1 1 82 82 LEU N N 15 21.744 . . . . . . . . 4689 2 40 . 1 1 83 83 ILE N N 15 19.291 . . . . . . . . 4689 2 41 . 1 1 84 84 GLN N N 15 18.231 . . . . . . . . 4689 2 42 . 1 1 85 85 SER N N 15 20.720 . . . . . . . . 4689 2 43 . 1 1 86 86 TRP N N 15 15.075 . . . . . . . . 4689 2 44 . 1 1 90 90 VAL N N 15 20.809 . . . . . . . . 4689 2 45 . 1 1 91 91 GLN N N 15 18.945 . . . . . . . . 4689 2 46 . 1 1 95 95 SER N N 15 16.576 . . . . . . . . 4689 2 47 . 1 1 96 96 VAL N N 15 18.752 . . . . . . . . 4689 2 48 . 1 1 98 98 ALA N N 15 18.257 . . . . . . . . 4689 2 49 . 1 1 99 99 ASN N N 15 18.478 . . . . . . . . 4689 2 50 . 1 1 100 100 SER N N 15 19.256 . . . . . . . . 4689 2 51 . 1 1 104 104 GLY N N 15 24.869 . . . . . . . . 4689 2 52 . 1 1 105 105 ALA N N 15 18.764 . . . . . . . . 4689 2 53 . 1 1 106 106 SER N N 15 20.224 . . . . . . . . 4689 2 54 . 1 1 107 107 ASP N N 15 18.306 . . . . . . . . 4689 2 55 . 1 1 108 108 SER N N 15 16.810 . . . . . . . . 4689 2 56 . 1 1 117 117 LEU N N 15 19.467 . . . . . . . . 4689 2 57 . 1 1 118 118 GLU N N 15 18.550 . . . . . . . . 4689 2 58 . 1 1 119 119 GLU N N 15 18.730 . . . . . . . . 4689 2 59 . 1 1 120 120 GLY N N 15 15.620 . . . . . . . . 4689 2 60 . 1 1 121 121 ILE N N 15 17.680 . . . . . . . . 4689 2 61 . 1 1 122 122 GLN N N 15 17.653 . . . . . . . . 4689 2 62 . 1 1 125 125 MET N N 15 19.180 . . . . . . . . 4689 2 63 . 1 1 126 126 GLY N N 15 16.972 . . . . . . . . 4689 2 64 . 1 1 127 127 ARG N N 15 19.300 . . . . . . . . 4689 2 65 . 1 1 128 128 LEU N N 15 18.502 . . . . . . . . 4689 2 66 . 1 1 129 129 GLU N N 15 20.018 . . . . . . . . 4689 2 67 . 1 1 130 130 ASP N N 15 15.695 . . . . . . . . 4689 2 68 . 1 1 131 131 GLY N N 15 15.273 . . . . . . . . 4689 2 69 . 1 1 132 132 SER N N 15 19.565 . . . . . . . . 4689 2 70 . 1 1 137 137 GLN N N 15 24.033 . . . . . . . . 4689 2 71 . 1 1 147 147 ASP N N 15 19.767 . . . . . . . . 4689 2 72 . 1 1 148 148 THR N N 15 18.589 . . . . . . . . 4689 2 73 . 1 1 149 149 ASN N N 15 18.918 . . . . . . . . 4689 2 74 . 1 1 150 150 SER N N 15 19.005 . . . . . . . . 4689 2 75 . 1 1 153 153 ASP N N 15 18.581 . . . . . . . . 4689 2 76 . 1 1 154 154 ASP N N 15 16.004 . . . . . . . . 4689 2 77 . 1 1 155 155 ALA N N 15 22.989 . . . . . . . . 4689 2 78 . 1 1 156 156 LEU N N 15 19.383 . . . . . . . . 4689 2 79 . 1 1 159 159 ASN N N 15 20.505 . . . . . . . . 4689 2 80 . 1 1 160 160 TYR N N 15 19.920 . . . . . . . . 4689 2 81 . 1 1 161 161 GLY N N 15 20.669 . . . . . . . . 4689 2 82 . 1 1 162 162 LEU N N 15 19.678 . . . . . . . . 4689 2 83 . 1 1 163 163 LEU N N 15 20.334 . . . . . . . . 4689 2 84 . 1 1 171 171 ASP N N 15 19.405 . . . . . . . . 4689 2 85 . 1 1 173 173 VAL N N 15 19.771 . . . . . . . . 4689 2 86 . 1 1 174 174 GLU N N 15 18.526 . . . . . . . . 4689 2 87 . 1 1 175 175 THR N N 15 22.155 . . . . . . . . 4689 2 88 . 1 1 176 176 PHE N N 15 19.021 . . . . . . . . 4689 2 89 . 1 1 177 177 LEU N N 15 19.825 . . . . . . . . 4689 2 90 . 1 1 178 178 ARG N N 15 20.877 . . . . . . . . 4689 2 91 . 1 1 179 179 ILE N N 15 19.367 . . . . . . . . 4689 2 92 . 1 1 180 180 VAL N N 15 20.480 . . . . . . . . 4689 2 93 . 1 1 181 181 GLN N N 15 22.651 . . . . . . . . 4689 2 94 . 1 1 182 182 CYS N N 15 19.831 . . . . . . . . 4689 2 95 . 1 1 183 183 ARG N N 15 23.024 . . . . . . . . 4689 2 96 . 1 1 184 184 SER N N 15 19.494 . . . . . . . . 4689 2 97 . 1 1 186 186 GLU N N 15 23.545 . . . . . . . . 4689 2 98 . 1 1 187 187 GLY N N 15 20.287 . . . . . . . . 4689 2 99 . 1 1 188 188 SER N N 15 19.885 . . . . . . . . 4689 2 100 . 1 1 191 191 PHE N N 15 10.190 . . . . . . . . 4689 2 stop_ save_ ###################### # Order parameters # ###################### save_S2_one _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_one _Order_parameter_list.Entry_ID 4689 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_one _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID . . 2 $sample_2 . 4689 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 THR N N 15 0.136 0.004 772.20 18.10 . . . . . . . S2,te,S2f 0.62 0.01 . . . . . . . . . . . 4689 1 2 . 1 1 4 4 ILE N N 15 0.330 0.019 941.50 96.80 . . . . . . . S2,te,S2f 0.71 0.02 . . . . . . . . . . . 4689 1 3 . 1 1 6 6 LEU N N 15 0.834 0.021 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 4 . 1 1 7 7 SER N N 15 0.851 0.016 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 5 . 1 1 8 8 ARG N N 15 0.865 0.020 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 6 . 1 1 9 9 LEU N N 15 0.952 0.016 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 7 . 1 1 10 10 PHE N N 15 0.907 0.022 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 8 . 1 1 11 11 ASP N N 15 0.874 0.013 96.00 19.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 9 . 1 1 12 12 ASN N N 15 0.939 0.010 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 10 . 1 1 13 13 ALA N N 15 0.911 0.018 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 11 . 1 1 14 14 MET N N 15 0.915 0.020 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 12 . 1 1 15 15 LEU N N 15 0.400 0.014 1449.80 91.70 . . . . . . . S2,te,S2f 0.79 0.01 . . . . . . . . . . . 4689 1 13 . 1 1 16 16 ARG N N 15 0.932 0.027 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 14 . 1 1 17 17 ALA N N 15 0.951 0.025 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 15 . 1 1 18 18 HIS N N 15 0.926 0.024 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 16 . 1 1 19 19 ARG N N 15 0.727 0.034 893.70 220.30 . . . . . . . S2,te,S2f 0.90 0.02 . . . . . . . . . . . 4689 1 17 . 1 1 20 20 LEU N N 15 0.429 0.010 1249.80 34.60 . . . . . . . S2,te,S2f 0.83 0.01 . . . . . . . . . . . 4689 1 18 . 1 1 23 23 LEU N N 15 0.881 0.021 125.90 46.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 19 . 1 1 24 24 ALA N N 15 0.869 0.035 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 20 . 1 1 25 25 PHE N N 15 0.946 0.022 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 21 . 1 1 26 26 ASP N N 15 0.973 0.031 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 22 . 1 1 31 31 PHE N N 15 0.909 0.026 430.70 253.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 23 . 1 1 32 32 GLU N N 15 0.954 0.011 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 24 . 1 1 33 33 GLU N N 15 0.875 0.020 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 25 . 1 1 34 34 ALA N N 15 0.856 0.015 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 26 . 1 1 35 35 TYR N N 15 0.835 0.052 153.80 84.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 27 . 1 1 36 36 ILE N N 15 0.939 0.025 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 28 . 1 1 39 39 GLU N N 15 0.606 0.030 829.20 102.70 . . . . . . . S2,te,S2f 0.89 0.02 . . . . . . . . . . . 4689 1 29 . 1 1 40 40 GLN N N 15 0.617 0.022 764.90 106.30 . . . . . . . S2,te,S2f 0.87 0.01 . . . . . . . . . . . 4689 1 30 . 1 1 41 41 LYS N N 15 0.703 0.025 139.70 22.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 31 . 1 1 42 42 TYR N N 15 0.646 0.019 1087.50 114.00 . . . . . . . S2,te,S2f 0.88 0.01 . . . . . . . . . . . 4689 1 32 . 1 1 43 43 SER N N 15 0.473 0.017 1275.50 94.40 . . . . . . . S2,te,S2f 0.82 0.01 . . . . . . . . . . . 4689 1 33 . 1 1 44 44 PHE N N 15 0.637 0.031 1115.50 132.20 . . . . . . . S2,te,S2f 0.92 0.02 . . . . . . . . . . . 4689 1 34 . 1 1 45 45 LEU N N 15 0.825 0.016 193.60 37.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 35 . 1 1 46 46 GLN N N 15 0.613 0.029 1109.50 136.60 . . . . . . . S2,te,S2f 0.90 0.02 . . . . . . . . . . . 4689 1 36 . 1 1 47 47 ASN N N 15 0.580 0.020 976.40 94.80 . . . . . . . S2,te,S2f 0.84 0.01 . . . . . . . . . . . 4689 1 37 . 1 1 49 49 GLN N N 15 0.554 0.020 1310.60 108.20 . . . . . . . S2,te,S2f 0.86 0.01 . . . . . . . . . . . 4689 1 38 . 1 1 50 50 THR N N 15 0.561 0.031 1148.10 132.30 . . . . . . . S2,te,S2f 0.88 0.02 . . . . . . . . . . . 4689 1 39 . 1 1 51 51 SER N N 15 0.686 0.034 659.40 113.70 . . . . . . . S2,te,S2f 0.93 0.02 . . . . . . . . . . . 4689 1 40 . 1 1 52 52 LEU N N 15 0.271 0.047 1505.70 180.60 . . . . . . . S2,te,S2f 0.70 0.03 . . . . . . . . . . . 4689 1 41 . 1 1 53 53 CYS N N 15 0.840 0.023 86.20 23.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 42 . 1 1 56 56 GLU N N 15 0.876 0.065 757.10 426.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 43 . 1 1 57 57 SER N N 15 0.832 0.032 81.40 26.30 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 44 . 1 1 58 58 ILE N N 15 0.838 0.029 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 45 . 1 1 60 60 THR N N 15 0.913 0.019 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 46 . 1 1 77 77 ARG N N 15 0.937 0.019 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 47 . 1 1 78 78 ILE N N 15 0.839 0.020 55.50 19.10 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 48 . 1 1 79 79 SER N N 15 0.903 0.024 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 49 . 1 1 80 80 LEU N N 15 0.935 0.025 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 50 . 1 1 81 81 LEU N N 15 0.880 0.024 102.90 34.60 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 51 . 1 1 82 82 LEU N N 15 0.869 0.019 144.20 34.90 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 52 . 1 1 83 83 ILE N N 15 0.926 0.016 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 53 . 1 1 84 84 GLN N N 15 0.894 0.031 247.00 144.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 54 . 1 1 85 85 SER N N 15 0.886 0.019 97.60 31.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 55 . 1 1 86 86 TRP N N 15 0.888 0.130 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 56 . 1 1 91 91 GLN N N 15 0.526 0.024 1147.50 129.90 . . . . . . . S2,te,S2f 0.82 0.01 . . . . . . . . . . . 4689 1 57 . 1 1 92 92 PHE N N 15 0.864 0.011 123.70 16.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 58 . 1 1 93 93 LEU N N 15 0.465 0.024 933.40 76.30 . . . . . . . S2,te,S2f 0.86 0.01 . . . . . . . . . . . 4689 1 59 . 1 1 94 94 ARG N N 15 0.788 0.017 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 60 . 1 1 95 95 SER N N 15 0.975 0.051 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 61 . 1 1 96 96 VAL N N 15 0.844 0.031 118.20 39.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 62 . 1 1 97 97 PHE N N 15 0.907 0.050 396.10 375.70 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 63 . 1 1 98 98 ALA N N 15 0.878 0.030 188.40 77.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 64 . 1 1 99 99 ASN N N 15 0.533 0.025 549.50 62.40 . . . . . . . S2,te,S2f 0.88 0.01 . . . . . . . . . . . 4689 1 65 . 1 1 100 100 SER N N 15 0.677 0.029 793.10 105.80 . . . . . . . S2,te,S2f 0.91 0.01 . . . . . . . . . . . 4689 1 66 . 1 1 101 101 LEU N N 15 0.784 0.011 350.90 66.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 67 . 1 1 102 102 VAL N N 15 0.880 0.024 129.00 46.70 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 68 . 1 1 103 103 TYR N N 15 0.801 0.027 150.40 53.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 69 . 1 1 104 104 GLY N N 15 0.689 0.060 1214.50 416.60 . . . . . . . S2,te,S2f 0.92 0.03 . . . . . . . . . . . 4689 1 70 . 1 1 105 105 ALA N N 15 0.865 0.024 241.20 93.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 71 . 1 1 106 106 SER N N 15 0.461 0.019 1177.30 82.50 . . . . . . . S2,te,S2f 0.82 0.01 . . . . . . . . . . . 4689 1 72 . 1 1 107 107 ASP N N 15 0.519 0.011 946.60 29.00 . . . . . . . S2,te,S2f 0.87 0.01 . . . . . . . . . . . 4689 1 73 . 1 1 108 108 SER N N 15 0.502 0.019 1203.00 91.50 . . . . . . . S2,te,S2f 0.85 0.01 . . . . . . . . . . . 4689 1 74 . 1 1 109 109 ASN N N 15 0.561 0.045 855.80 85.40 . . . . . . . S2,te,S2f 0.93 0.03 . . . . . . . . . . . 4689 1 75 . 1 1 111 111 TYR N N 15 0.872 0.013 98.00 21.30 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 76 . 1 1 112 112 ASP N N 15 0.860 0.014 131.10 25.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 77 . 1 1 113 113 LEU N N 15 0.882 0.011 84.30 17.50 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 78 . 1 1 114 114 LEU N N 15 0.989 0.032 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 79 . 1 1 115 115 LYS N N 15 0.841 0.014 155.70 21.70 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 80 . 1 1 116 116 ASP N N 15 0.934 0.015 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 81 . 1 1 117 117 LEU N N 15 0.946 0.025 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 82 . 1 1 118 118 GLU N N 15 0.936 0.022 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 83 . 1 1 119 119 GLU N N 15 0.815 0.022 114.50 20.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 84 . 1 1 120 120 GLY N N 15 0.925 0.019 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 85 . 1 1 121 121 ILE N N 15 0.976 0.030 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 86 . 1 1 122 122 GLN N N 15 0.874 0.014 103.70 25.40 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 87 . 1 1 123 123 THR N N 15 0.434 0.027 800.60 119.70 . . . . . . . S2,te,S2f 0.77 0.02 . . . . . . . . . . . 4689 1 88 . 1 1 124 124 LEU N N 15 0.444 0.020 1637.10 162.10 . . . . . . . S2,te,S2f 0.79 0.01 . . . . . . . . . . . 4689 1 89 . 1 1 125 125 MET N N 15 0.716 0.021 111.20 17.80 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 90 . 1 1 126 126 GLY N N 15 0.919 0.024 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 91 . 1 1 127 127 ARG N N 15 0.885 0.019 78.20 31.00 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 92 . 1 1 129 129 GLU N N 15 0.718 0.054 1266.10 497.50 . . . . . . . S2,te,S2f 0.90 0.03 . . . . . . . . . . . 4689 1 93 . 1 1 130 130 ASP N N 15 0.379 0.017 1361.10 85.90 . . . . . . . S2,te,S2f 0.81 0.01 . . . . . . . . . . . 4689 1 94 . 1 1 131 131 GLY N N 15 0.165 0.010 1430.20 73.70 . . . . . . . S2,te,S2f 0.69 0.01 . . . . . . . . . . . 4689 1 95 . 1 1 132 132 SER N N 15 0.220 0.007 1401.60 47.50 . . . . . . . S2,te,S2f 0.70 0.01 . . . . . . . . . . . 4689 1 96 . 1 1 134 134 ARG N N 15 0.200 0.009 1331.30 46.90 . . . . . . . S2,te,S2f 0.73 0.01 . . . . . . . . . . . 4689 1 97 . 1 1 135 135 THR N N 15 0.278 0.009 1072.60 27.20 . . . . . . . S2,te,S2f 0.77 0.01 . . . . . . . . . . . 4689 1 98 . 1 1 136 136 GLY N N 15 0.142 0.006 1400.30 33.10 . . . . . . . S2,te,S2f 0.70 0.01 . . . . . . . . . . . 4689 1 99 . 1 1 137 137 GLN N N 15 0.349 0.010 1131.50 30.40 . . . . . . . S2,te,S2f 0.79 0.01 . . . . . . . . . . . 4689 1 100 . 1 1 138 138 ILE N N 15 0.332 0.022 1509.00 198.70 . . . . . . . S2,te,S2f 0.77 0.02 . . . . . . . . . . . 4689 1 101 . 1 1 139 139 PHE N N 15 0.596 0.032 709.10 73.50 . . . . . . . S2,te,S2f 0.95 0.02 . . . . . . . . . . . 4689 1 102 . 1 1 140 140 LYS N N 15 0.481 0.017 1102.90 59.30 . . . . . . . S2,te,S2f 0.85 0.01 . . . . . . . . . . . 4689 1 103 . 1 1 141 141 GLN N N 15 0.508 0.058 849.40 162.70 . . . . . . . S2,te,S2f 0.86 0.03 . . . . . . . . . . . 4689 1 104 . 1 1 142 142 THR N N 15 0.516 0.023 785.80 58.50 . . . . . . . S2,te,S2f 0.86 0.01 . . . . . . . . . . . 4689 1 105 . 1 1 143 143 TYR N N 15 0.821 0.012 304.50 56.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 106 . 1 1 144 144 SER N N 15 0.689 0.022 732.40 98.30 . . . . . . . S2,te,S2f 0.91 0.01 . . . . . . . . . . . 4689 1 107 . 1 1 150 150 SER N N 15 0.361 0.010 1262.10 44.30 . . . . . . . S2,te,S2f 0.79 0.01 . . . . . . . . . . . 4689 1 108 . 1 1 151 151 HIS N N 15 0.567 0.017 863.50 57.10 . . . . . . . S2,te,S2f 0.89 0.01 . . . . . . . . . . . 4689 1 109 . 1 1 152 152 ASN N N 15 0.493 0.029 1153.00 144.70 . . . . . . . S2,te,S2f 0.84 0.02 . . . . . . . . . . . 4689 1 110 . 1 1 154 154 ASP N N 15 0.607 0.020 815.70 80.70 . . . . . . . S2,te,S2f 0.88 0.01 . . . . . . . . . . . 4689 1 111 . 1 1 155 155 ALA N N 15 0.851 0.032 576.50 222.00 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 112 . 1 1 156 156 LEU N N 15 0.859 0.013 188.50 30.80 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 113 . 1 1 157 157 LEU N N 15 0.628 0.035 1213.20 210.70 . . . . . . . S2,te,S2f 0.88 0.02 . . . . . . . . . . . 4689 1 114 . 1 1 158 158 LYS N N 15 0.878 0.025 97.90 33.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 115 . 1 1 161 161 GLY N N 15 0.935 0.071 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 116 . 1 1 162 162 LEU N N 15 0.912 0.022 283.20 180.30 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 117 . 1 1 171 171 ASP N N 15 0.434 0.026 2153.70 454.10 . . . . . . . S2,te,S2f 0.79 0.02 . . . . . . . . . . . 4689 1 118 . 1 1 172 172 LYS N N 15 0.756 0.022 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 119 . 1 1 173 173 VAL N N 15 0.918 0.029 194.20 128.60 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 120 . 1 1 174 174 GLU N N 15 0.880 0.033 76.50 39.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 121 . 1 1 175 175 THR N N 15 0.918 0.027 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 122 . 1 1 176 176 PHE N N 15 0.965 0.026 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 123 . 1 1 177 177 LEU N N 15 0.898 0.015 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 124 . 1 1 178 178 ARG N N 15 0.918 0.015 142.20 38.80 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 125 . 1 1 179 179 ILE N N 15 0.908 0.013 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 126 . 1 1 180 180 VAL N N 15 0.906 0.025 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 127 . 1 1 181 181 GLN N N 15 0.925 0.029 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 128 . 1 1 182 182 CYS N N 15 0.859 0.022 101.00 31.10 . . . . . . . S2,te . . . . . . . . . . . . . 4689 1 129 . 1 1 183 183 ARG N N 15 0.901 0.032 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 1 130 . 1 1 184 184 SER N N 15 0.945 0.020 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 131 . 1 1 185 185 VAL N N 15 0.943 0.018 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 1 132 . 1 1 186 186 GLU N N 15 0.688 0.047 1255.00 700.20 . . . . . . . S2,te,S2f 0.88 0.03 . . . . . . . . . . . 4689 1 133 . 1 1 187 187 GLY N N 15 0.452 0.028 887.50 113.10 . . . . . . . S2,te,S2f 0.79 0.02 . . . . . . . . . . . 4689 1 134 . 1 1 188 188 SER N N 15 0.579 0.018 883.60 87.40 . . . . . . . S2,te,S2f 0.84 0.01 . . . . . . . . . . . 4689 1 135 . 1 1 189 189 CYS N N 15 0.863 0.030 192.80 83.20 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 1 136 . 1 1 190 190 GLY N N 15 0.197 0.009 1204.90 35.60 . . . . . . . S2,te,S2f 0.71 0.01 . . . . . . . . . . . 4689 1 137 . 1 1 191 191 PHE N N 15 0.103 0.004 1085.10 18.90 . . . . . . . S2,te,S2f 0.62 0.01 . . . . . . . . . . . 4689 1 stop_ save_ save_S2_two _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_two _Order_parameter_list.Entry_ID 4689 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_two _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID . . 2 $sample_2 . 4689 2 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 THR N N 15 0.847 0.026 115.90 45.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 2 . 1 1 4 4 ILE N N 15 0.871 0.037 369.40 307.30 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 3 . 1 1 6 6 LEU N N 15 0.910 0.119 340.40 752.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 4 . 1 1 7 7 SER N N 15 1.021 0.088 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 5 . 1 1 8 8 ARG N N 15 1.101 0.088 19.00 1906.50 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 6 . 1 1 9 9 LEU N N 15 1.063 0.042 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 7 . 1 1 10 10 PHE N N 15 0.961 0.017 353.80 406.30 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 8 . 1 1 11 11 ASP N N 15 0.975 0.026 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 9 . 1 1 12 12 ASN N N 15 0.969 0.014 346.00 367.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 10 . 1 1 13 13 ALA N N 15 0.946 0.030 191.70 170.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 11 . 1 1 14 14 MET N N 15 1.041 0.028 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 12 . 1 1 15 15 LEU N N 15 0.943 0.019 381.60 317.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 13 . 1 1 16 16 ARG N N 15 0.974 0.018 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 14 . 1 1 17 17 ALA N N 15 0.963 0.048 2479.80 3152.50 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 15 . 1 1 18 18 HIS N N 15 0.996 0.037 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 16 . 1 1 23 23 LEU N N 15 1.035 0.045 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 17 . 1 1 24 24 ALA N N 15 0.969 0.036 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 18 . 1 1 25 25 PHE N N 15 0.912 0.084 1434.70 1024.30 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 19 . 1 1 26 26 ASP N N 15 0.965 0.035 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 20 . 1 1 27 27 THR N N 15 0.857 0.056 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 21 . 1 1 28 28 TYR N N 15 0.877 0.033 1075.00 298.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 22 . 1 1 29 29 GLN N N 15 0.762 0.038 1418.30 166.60 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 23 . 1 1 32 32 GLU N N 15 0.923 0.057 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 24 . 1 1 33 33 GLU N N 15 0.967 0.026 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 25 . 1 1 34 34 ALA N N 15 0.938 0.025 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 26 . 1 1 35 35 TYR N N 15 0.868 0.028 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 27 . 1 1 46 46 GLN N N 15 0.755 0.062 905.80 208.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 28 . 1 1 47 47 ASN N N 15 0.824 0.067 1296.90 431.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 29 . 1 1 49 49 GLN N N 15 0.744 0.038 1057.90 129.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 30 . 1 1 50 50 THR N N 15 0.917 0.146 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 31 . 1 1 51 51 SER N N 15 0.720 0.107 1026.60 473.50 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 32 . 1 1 52 52 LEU N N 15 0.857 0.023 1132.40 232.00 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 33 . 1 1 53 53 CYS N N 15 0.962 0.054 1059.50 494.50 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 34 . 1 1 56 56 GLU N N 15 1.092 0.067 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 35 . 1 1 57 57 SER N N 15 0.741 0.082 730.30 434.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 36 . 1 1 58 58 ILE N N 15 0.939 0.038 589.00 653.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 37 . 1 1 63 63 ASN N N 15 0.880 0.067 1762.90 1022.90 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 38 . 1 1 79 79 SER N N 15 0.933 0.043 1893.00 2029.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 39 . 1 1 82 82 LEU N N 15 1.089 0.051 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 40 . 1 1 83 83 ILE N N 15 0.972 0.044 4505.60 2883.30 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 41 . 1 1 84 84 GLN N N 15 0.947 0.040 1353.10 1209.90 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 42 . 1 1 85 85 SER N N 15 0.897 0.055 1067.80 747.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 43 . 1 1 86 86 TRP N N 15 0.902 0.049 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 44 . 1 1 90 90 VAL N N 15 0.884 0.059 1766.90 1012.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 45 . 1 1 91 91 GLN N N 15 1.031 0.028 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 46 . 1 1 95 95 SER N N 15 0.967 0.050 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 47 . 1 1 96 96 VAL N N 15 0.968 0.027 363.30 609.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 48 . 1 1 98 98 ALA N N 15 0.975 0.033 561.80 235.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 49 . 1 1 99 99 ASN N N 15 0.926 0.072 4046.70 6956.40 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 50 . 1 1 100 100 SER N N 15 0.866 0.046 1432.30 493.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 51 . 1 1 104 104 GLY N N 15 1.070 0.148 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 52 . 1 1 105 105 ALA N N 15 0.867 0.033 1758.90 440.30 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 53 . 1 1 106 106 SER N N 15 0.737 0.109 1724.90 658.70 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 54 . 1 1 107 107 ASP N N 15 0.738 0.035 1752.00 217.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 55 . 1 1 108 108 SER N N 15 0.838 0.024 1252.10 226.30 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 56 . 1 1 117 117 LEU N N 15 0.973 0.016 350.20 451.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 57 . 1 1 118 118 GLU N N 15 0.949 0.026 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 58 . 1 1 119 119 GLU N N 15 1.009 0.015 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 59 . 1 1 120 120 GLY N N 15 0.900 0.027 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 60 . 1 1 121 121 ILE N N 15 0.979 0.029 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 61 . 1 1 122 122 GLN N N 15 0.933 0.023 1364.40 497.40 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 62 . 1 1 125 125 MET N N 15 0.991 0.050 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 63 . 1 1 126 126 GLY N N 15 0.963 0.038 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 64 . 1 1 127 127 ARG N N 15 0.992 0.018 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 65 . 1 1 128 128 LEU N N 15 0.993 0.018 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 66 . 1 1 129 129 GLU N N 15 0.912 0.068 5367.30 6950.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 67 . 1 1 130 130 ASP N N 15 0.748 0.051 1064.70 239.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 68 . 1 1 131 131 GLY N N 15 0.834 0.058 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 69 . 1 1 132 132 SER N N 15 0.943 0.044 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 70 . 1 1 137 137 GLN N N 15 0.803 0.137 2178.70 1616.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 71 . 1 1 147 147 ASP N N 15 0.536 0.246 1545.20 646.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 72 . 1 1 148 148 THR N N 15 0.880 0.056 489.70 486.70 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 73 . 1 1 149 149 ASN N N 15 0.913 0.039 396.60 448.20 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 74 . 1 1 150 150 SER N N 15 0.932 0.104 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 75 . 1 1 153 153 ASP N N 15 0.920 0.026 896.50 412.20 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 76 . 1 1 154 154 ASP N N 15 0.813 0.022 1087.00 122.40 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 77 . 1 1 155 155 ALA N N 15 0.838 0.082 864.40 624.00 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 78 . 1 1 156 156 LEU N N 15 0.881 0.026 1459.60 260.90 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 79 . 1 1 159 159 ASN N N 15 0.990 0.040 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 80 . 1 1 160 160 TYR N N 15 0.971 0.021 336.00 488.50 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 81 . 1 1 161 161 GLY N N 15 0.960 0.051 558.40 795.90 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 82 . 1 1 162 162 LEU N N 15 0.947 0.051 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 83 . 1 1 163 163 LEU N N 15 1.052 0.049 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 84 . 1 1 171 171 ASP N N 15 1.013 0.038 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 85 . 1 1 173 173 VAL N N 15 0.899 0.098 1900.70 1408.40 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 86 . 1 1 174 174 GLU N N 15 0.966 0.013 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 87 . 1 1 175 175 THR N N 15 0.906 0.058 1319.40 931.20 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 88 . 1 1 176 176 PHE N N 15 0.968 0.016 403.10 417.40 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 89 . 1 1 177 177 LEU N N 15 0.992 0.035 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 90 . 1 1 178 178 ARG N N 15 1.048 0.036 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 91 . 1 1 179 179 ILE N N 15 0.985 0.025 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 92 . 1 1 180 180 VAL N N 15 1.088 0.076 0.00 2746.60 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 93 . 1 1 181 181 GLN N N 15 0.988 0.090 624.20 452.50 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 94 . 1 1 182 182 CYS N N 15 1.048 0.040 . . . . . . . . . S2 . . . . . . . . . . . . . 4689 2 95 . 1 1 183 183 ARG N N 15 0.983 0.061 . . . . . . . . . S2,Rex . . . . . . . . . . . . . 4689 2 96 . 1 1 184 184 SER N N 15 0.883 0.048 76.60 58.50 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 97 . 1 1 186 186 GLU N N 15 0.742 0.129 1201.10 661.60 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 98 . 1 1 187 187 GLY N N 15 0.926 0.083 437.00 773.40 . . . . . . . S2,te . . . . . . . . . . . . . 4689 2 99 . 1 1 188 188 SER N N 15 0.917 0.070 1479.40 1071.80 . . . . . . . S2,te,Rex . . . . . . . . . . . . . 4689 2 100 . 1 1 191 191 PHE N N 15 0.440 0.013 804.00 24.40 . . . . . . . S2,te,S2f 0.84 0.01 . . . . . . . . . . . 4689 2 stop_ save_