data_4741 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and folding of Glucagon-like Peptide 1-7-(7-36)-amide in aqueous trifluoroethanol studied by NMR ; _BMRB_accession_number 4741 _BMRB_flat_file_name bmr4741.str _Entry_type original _Submission_date 2000-05-22 _Accession_date 2000-05-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chang Xiaoqing . . 2 Keller D. . . 3 Bjorn s. . . 4 Led Jens J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 9 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1222 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-08 original author . stop_ _Original_release_date 2002-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and folding of Glucagon-like Peptide 1-7-(7-36)-amide in aqueous trifluoroethanol studied by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chang Xiaoqing . . 2 Keller D . . 3 Bjorn S. . . 4 Led Jens J. . stop_ _Journal_abbreviation 'Magn. Reson. Chem.' _Journal_volume 39 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 477 _Page_last 483 _Year 2001 _Details . loop_ _Keyword 'Coiled coil' Folding GLP-1 'NMR Solution Structure' Self-diffusion TFE stop_ save_ ####################################### # Cited references within the entry # ####################################### save_re_1 _Saveframe_category citation _Citation_full ; Xiaoqing Chang, Danielle Keller, Se?n I.O'Donoghue and Jens J. Led. "NMR studies of the aggregation of glucagon-like peptide-1: formation of a symmetric helical dimer." FEBS Letters 515, 165-170 (2002). ; _Citation_title 'NMR studies of the aggregation of glucagon-like peptide-1: formation of a symmetric helical dimer.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11943215 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chang Xiaoqing . . 2 Keller Danielle . . 3 O'Donoghue 'Sean I' I. . 4 Led 'Jens J' J. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 515 _Journal_issue 1-3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 165 _Page_last 170 _Year 2002 _Details ; Nuclear magnetic resonance (NMR) spectroscopy reveals that higher-order aggregates of glucagon-like peptide-1-(7-36)-amide (GLP-1) in pure water at pH 2.5 are disrupted by 35% 2,2,2-trifluoroethanol (TFE), and form a stable and highly symmetric helical self-aggregate. NMR spectra show that the helical structure is identical to that formed by monomeric GLP-1 under the same experimental conditions [Chang et al., Magn. Reson. Chem. 37 (2001) 477-483; Protein Data Bank at RCSB code: 1D0R], while amide proton exchange rates reveal a dramatic increase of the stability of the helices of the self-aggregate. Pulsed-field gradient NMR diffusion experiments show that the TFE-induced helical self-aggregate is a dimer. The experimental data and model calculations indicate that the dimer is a parallel coiled coil, with a few hydrophobic residues on the surface that may cause aggregation in pure water. The results suggest that the coiled coil dimer is an intermediate state towards the formation of higher aggregates, e.g. fibrils. ; save_ ################################## # Molecular system description # ################################## save_system_GLP-1 _Saveframe_category molecular_system _Mol_system_name 'Glucogen-like Peptide-1(7-36)-amide' _Abbreviation_common GLP-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GLP-1 $GLP-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GLP-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Glucogen-like peptide-1-(7-36)-amide' _Abbreviation_common GLP-1 _Molecular_mass 3300 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; HAEGTFTSDVSSYLEGQAAK EFIAWLVKGR ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 ALA 3 GLU 4 GLY 5 THR 6 PHE 7 THR 8 SER 9 ASP 10 VAL 11 SER 12 SER 13 TYR 14 LEU 15 GLU 16 GLY 17 GLN 18 ALA 19 ALA 20 LYS 21 GLU 22 PHE 23 ILE 24 ALA 25 TRP 26 LEU 27 VAL 28 LYS 29 GLY 30 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1D0R "Solution Structure Of Glucagon-Like Peptide-1-(7-36)-Amide In TrifluoroethanolWATER" 100.00 30 100.00 100.00 6.14e-12 PDB 3IOL "Crystal Structure Of Glucagon-Like Peptide-1 In Complex With The Extracellular Domain Of The Glucagon-Like Peptide-1 Receptor" 100.00 31 100.00 100.00 6.75e-12 DBJ BAA00010 "preproglucagon [Cavia porcellus]" 100.00 180 100.00 100.00 1.50e-11 DBJ BAM48567 "preproglucagon, partial [Canis lupus familiaris]" 86.67 26 100.00 100.00 1.59e-08 GB AAA30538 "preproglucagon [Bos taurus]" 100.00 180 100.00 100.00 1.47e-11 GB AAA37074 "preproglucagon [Mesocricetus auratus]" 100.00 180 100.00 100.00 1.79e-11 GB AAA40588 "glucagon [Octodon degus]" 100.00 180 100.00 100.00 1.70e-11 GB AAA41235 "pre-proglucagon [Rattus norvegicus]" 100.00 180 100.00 100.00 1.59e-11 GB AAI02222 "Glucagon [Bos taurus]" 100.00 180 100.00 100.00 1.47e-11 PIR GCPG "glucagon precursor - pig (fragment) [Sus scrofa domesticus]" 100.00 158 100.00 100.00 5.06e-11 PRF 0905236A glucagon,prepro- 100.00 180 100.00 100.00 2.19e-11 REF NP_001003044 "glucagon precursor [Canis lupus familiaris]" 100.00 180 100.00 100.00 1.44e-11 REF NP_001166423 "glucagon precursor [Cavia porcellus]" 100.00 180 100.00 100.00 1.50e-11 REF NP_036839 "glucagon preproprotein [Rattus norvegicus]" 100.00 180 100.00 100.00 1.61e-11 REF NP_776341 "glucagon precursor [Bos taurus]" 100.00 180 100.00 100.00 1.47e-11 REF NP_999489 "glucagon precursor [Sus scrofa]" 100.00 180 100.00 100.00 6.09e-11 SP P01272 "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" 100.00 180 100.00 100.00 1.47e-11 SP P01273 "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" 100.00 180 100.00 100.00 1.79e-11 SP P01274 "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" 100.00 180 100.00 100.00 6.09e-11 SP P05110 "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" 100.00 180 100.00 100.00 1.50e-11 SP P06883 "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" 100.00 180 100.00 100.00 1.59e-11 TPG DAA32664 "TPA: glucagon [Bos taurus]" 100.00 180 100.00 100.00 1.47e-11 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GLP-1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GLP-1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 4.62 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 8.82 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 13.89 % . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 19.48 % . stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 24.39 % . stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 29.55 % . stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 34.74 % . stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLP-1 1.4 mM . 2,2,2-trifluoroethanol-d3 50 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Inova Plus' _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Inova Plus' _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_PFG_self-diffusion_experiment_with_water-sLED_pulse_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'PFG self-diffusion experiment with water-sLED pulse' _Sample_label . save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'PFG self-diffusion experiment with water-sLED pulse' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 2.50 0.02 n/a temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 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_sample1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.42 0.1 1 2 . 1 HIS HD1 H 8.67 0.1 1 3 . 1 HIS HE1 H 7.42 0.1 2 4 . 2 ALA H H 8.81 0.1 1 5 . 2 ALA HA H 4.41 0.1 1 6 . 2 ALA HB H 1.40 0.1 1 7 . 3 GLU H H 8.64 0.1 1 8 . 3 GLU HA H 4.44 0.1 1 9 . 3 GLU HB2 H 2.00 0.1 2 10 . 3 GLU HB3 H 2.14 0.1 2 11 . 3 GLU HG2 H 2.51 0.1 2 12 . 4 GLY H H 8.45 0.1 1 13 . 4 GLY HA2 H 3.97 0.1 2 14 . 5 THR H H 7.98 0.1 1 15 . 5 THR HA H 4.30 0.1 1 16 . 5 THR HB H 4.11 0.1 1 17 . 5 THR HG2 H 1.11 0.1 1 18 . 6 PHE H H 8.34 0.1 1 19 . 6 PHE HA H 4.70 0.1 1 20 . 6 PHE HB2 H 3.01 0.1 2 21 . 6 PHE HB3 H 3.14 0.1 2 22 . 6 PHE HD1 H 7.21 0.1 3 23 . 6 PHE HE1 H 7.33 0.1 3 24 . 6 PHE HZ H 7.29 0.1 1 25 . 7 THR H H 8.05 0.1 1 26 . 7 THR HA H 4.31 0.1 1 27 . 7 THR HB H 4.16 0.1 1 28 . 7 THR HG2 H 1.15 0.1 1 29 . 8 SER H H 8.22 0.1 1 30 . 8 SER HA H 4.42 0.1 1 31 . 8 SER HB2 H 3.83 0.1 2 32 . 8 SER HB3 H 3.88 0.1 2 33 . 9 ASP H H 8.48 0.1 1 34 . 9 ASP HA H 4.75 0.1 1 35 . 9 ASP HB2 H 2.83 0.1 2 36 . 9 ASP HB3 H 2.91 0.1 2 37 . 10 VAL H H 8.04 0.1 1 38 . 10 VAL HA H 4.12 0.1 1 39 . 10 VAL HB H 2.10 0.1 1 40 . 10 VAL HG1 H 0.92 0.1 2 41 . 11 SER H H 8.29 0.1 1 42 . 11 SER HA H 4.40 0.1 1 43 . 11 SER HB2 H 3.86 0.1 2 44 . 12 SER H H 8.21 0.1 1 45 . 12 SER HA H 4.36 0.1 1 46 . 12 SER HB2 H 3.80 0.1 2 47 . 13 TYR H H 8.04 0.1 1 48 . 13 TYR HA H 4.50 0.1 1 49 . 13 TYR HB2 H 3.01 0.1 2 50 . 13 TYR HD1 H 7.08 0.1 3 51 . 13 TYR HE1 H 6.80 0.1 3 52 . 14 LEU H H 7.97 0.1 1 53 . 14 LEU HA H 4.19 0.1 1 54 . 14 LEU HB2 H 1.60 0.1 2 55 . 14 LEU HB3 H 1.48 0.1 2 56 . 14 LEU HD1 H 0.82 0.1 2 57 . 14 LEU HD2 H 0.86 0.1 2 58 . 15 GLU H H 8.17 0.1 1 59 . 15 GLU HA H 4.20 0.1 1 60 . 15 GLU HB2 H 1.99 0.1 2 61 . 15 GLU HB3 H 2.09 0.1 2 62 . 15 GLU HG2 H 2.30 0.1 2 63 . 16 GLY H H 8.29 0.1 1 64 . 16 GLY HA2 H 3.95 0.1 2 65 . 17 GLN H H 8.09 0.1 1 66 . 17 GLN HA H 4.27 0.1 1 67 . 17 GLN HB2 H 2.02 0.1 2 68 . 17 GLN HB3 H 2.11 0.1 2 69 . 17 GLN HG2 H 2.45 0.1 2 70 . 17 GLN HG3 H 2.48 0.1 2 71 . 17 GLN HE21 H 7.42 0.1 2 72 . 17 GLN HE22 H 6.82 0.1 2 73 . 18 ALA H H 8.22 0.1 1 74 . 18 ALA HA H 4.22 0.1 1 75 . 18 ALA HB H 1.41 0.1 1 76 . 19 ALA H H 7.99 0.1 1 77 . 19 ALA HA H 4.19 0.1 1 78 . 19 ALA HB H 1.40 0.1 1 79 . 20 LYS H H 7.97 0.1 1 80 . 20 LYS HA H 4.16 0.1 1 81 . 20 LYS HB2 H 1.80 0.1 2 82 . 20 LYS HG2 H 1.48 0.1 4 83 . 20 LYS HD2 H 1.61 0.1 4 84 . 20 LYS HE2 H 2.96 0.1 2 85 . 20 LYS HZ H 7.51 0.1 1 86 . 21 GLU H H 8.06 0.1 1 87 . 21 GLU HA H 4.23 0.1 1 88 . 21 GLU HB2 H 1.98 0.1 2 89 . 21 GLU HG2 H 2.38 0.1 2 90 . 22 PHE H H 8.10 0.1 1 91 . 22 PHE HA H 4.48 0.1 1 92 . 22 PHE HB2 H 3.02 0.1 2 93 . 22 PHE HB3 H 3.08 0.1 2 94 . 22 PHE HD1 H 7.16 0.1 3 95 . 22 PHE HE1 H 7.28 0.1 3 96 . 22 PHE HZ H 7.26 0.1 1 97 . 23 ILE H H 7.86 0.1 1 98 . 23 ILE HA H 3.86 0.1 1 99 . 23 ILE HB H 1.73 0.1 1 100 . 23 ILE HG12 H 1.14 0.1 2 101 . 23 ILE HG13 H 1.46 0.1 2 102 . 23 ILE HG2 H 0.68 0.1 1 103 . 23 ILE HD1 H 0.80 0.1 1 104 . 24 ALA H H 7.97 0.1 1 105 . 24 ALA HA H 4.12 0.1 1 106 . 24 ALA HB H 1.36 0.1 1 107 . 25 TRP H H 7.79 0.1 1 108 . 25 TRP HA H 4.53 0.1 1 109 . 25 TRP HB2 H 3.26 0.1 2 110 . 25 TRP HB3 H 3.32 0.1 2 111 . 25 TRP HD1 H 7.19 0.1 1 112 . 25 TRP HE1 H 10.10 0.1 2 113 . 25 TRP HE3 H 7.47 0.1 3 114 . 25 TRP HZ2 H 7.09 0.1 3 115 . 25 TRP HZ3 H 7.46 0.1 3 116 . 25 TRP HH2 H 7.22 0.1 3 117 . 26 LEU H H 7.83 0.1 1 118 . 26 LEU HA H 4.10 0.1 1 119 . 26 LEU HB2 H 1.37 0.1 2 120 . 26 LEU HB3 H 1.49 0.1 2 121 . 26 LEU HD1 H 0.77 0.1 2 122 . 26 LEU HD2 H 0.81 0.1 2 123 . 27 VAL H H 7.86 0.1 1 124 . 27 VAL HA H 3.95 0.1 1 125 . 27 VAL HB H 2.05 0.1 1 126 . 27 VAL HG1 H 0.90 0.1 2 127 . 27 VAL HG2 H 0.93 0.1 2 128 . 28 LYS H H 8.14 0.1 1 129 . 28 LYS HA H 4.23 0.1 1 130 . 28 LYS HB2 H 1.79 0.1 2 131 . 28 LYS HG2 H 1.41 0.1 4 132 . 28 LYS HD2 H 1.64 0.1 4 133 . 28 LYS HE2 H 2.95 0.1 2 134 . 28 LYS HZ H 7.51 0.1 1 135 . 29 GLY H H 8.24 0.1 1 136 . 29 GLY HA2 H 3.89 0.1 2 137 . 30 ARG H H 8.07 0.1 1 138 . 30 ARG HA H 4.25 0.1 1 139 . 30 ARG HB2 H 1.72 0.1 2 140 . 30 ARG HB3 H 1.85 0.1 2 141 . 30 ARG HG2 H 1.59 0.1 4 142 . 30 ARG HD2 H 3.15 0.1 2 143 . 30 ARG HH11 H 7.13 0.1 4 stop_ save_ save_chemical_shift_assignment_sample2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.30 0.1 1 2 . 1 HIS HD1 H 8.67 0.1 1 3 . 1 HIS HE1 H 7.42 0.1 2 4 . 2 ALA H H 8.80 0.1 1 5 . 2 ALA HA H 4.40 0.1 1 6 . 2 ALA HB H 1.40 0.1 1 7 . 3 GLU H H 8.61 0.1 1 8 . 3 GLU HA H 4.44 0.1 1 9 . 3 GLU HB2 H 2.00 0.1 2 10 . 3 GLU HB3 H 2.14 0.1 2 11 . 3 GLU HG2 H 2.51 0.1 2 12 . 4 GLY H H 8.43 0.1 1 13 . 4 GLY HA2 H 3.97 0.1 2 14 . 5 THR H H 7.96 0.1 1 15 . 5 THR HA H 4.30 0.1 1 16 . 5 THR HB H 4.12 0.1 1 17 . 5 THR HG2 H 1.11 0.1 1 18 . 6 PHE H H 8.33 0.1 1 19 . 6 PHE HA H 4.67 0.1 1 20 . 6 PHE HB2 H 3.01 0.1 2 21 . 6 PHE HB3 H 3.13 0.1 2 22 . 7 THR H H 8.01 0.1 1 23 . 7 THR HA H 4.27 0.1 1 24 . 7 THR HB H 4.16 0.1 1 25 . 7 THR HG2 H 1.14 0.1 1 26 . 8 SER H H 8.18 0.1 1 27 . 8 SER HA H 4.41 0.1 1 28 . 8 SER HB2 H 3.89 0.1 2 29 . 8 SER HB3 H 3.83 0.1 2 30 . 9 ASP H H 8.43 0.1 1 31 . 9 ASP HA H 4.73 0.1 1 32 . 9 ASP HB2 H 2.86 0.1 2 33 . 10 VAL H H 8.01 0.1 1 34 . 10 VAL HA H 4.05 0.1 1 35 . 10 VAL HB H 2.08 0.1 1 36 . 10 VAL HG1 H 0.90 0.1 2 37 . 11 SER H H 8.22 0.1 1 38 . 11 SER HA H 4.34 0.1 1 39 . 11 SER HB2 H 3.91 0.1 2 40 . 12 SER H H 8.17 0.1 1 41 . 12 SER HA H 4.31 0.1 1 42 . 12 SER HB2 H 3.83 0.1 2 43 . 13 TYR H H 7.98 0.1 1 44 . 13 TYR HA H 4.44 0.1 1 45 . 13 TYR HB2 H 3.02 0.1 2 46 . 13 TYR HD1 H 7.05 0.1 3 47 . 13 TYR HE1 H 6.77 0.1 3 48 . 14 LEU H H 7.98 0.1 1 49 . 14 LEU HA H 4.11 0.1 1 50 . 14 LEU HB2 H 1.66 0.1 2 51 . 14 LEU HB3 H 1.46 0.1 2 52 . 14 LEU HD1 H 0.83 0.1 2 53 . 14 LEU HD2 H 0.81 0.1 2 54 . 15 GLU H H 8.05 0.1 1 55 . 15 GLU HA H 4.22 0.1 1 56 . 15 GLU HB2 H 2.03 0.1 2 57 . 15 GLU HG2 H 2.48 0.1 2 58 . 15 GLU HG3 H 2.41 0.1 2 59 . 16 GLY H H 8.21 0.1 1 60 . 16 GLY HA2 H 3.93 0.1 2 61 . 17 GLN H H 8.20 0.1 1 62 . 17 GLN HA H 4.12 0.1 1 63 . 17 GLN HB2 H 2.01 0.1 2 64 . 17 GLN HG2 H 2.30 0.1 2 65 . 17 GLN HG3 H 2.25 0.1 2 66 . 17 GLN HE21 H 7.36 0.1 2 67 . 17 GLN HE22 H 6.82 0.1 2 68 . 18 ALA H H 8.21 0.1 1 69 . 18 ALA HA H 4.19 0.1 1 70 . 18 ALA HB H 1.45 0.1 1 71 . 19 ALA H H 7.93 0.1 1 72 . 19 ALA HA H 4.11 0.1 1 73 . 19 ALA HB H 1.39 0.1 1 74 . 20 LYS H H 7.83 0.1 1 75 . 20 LYS HA H 4.06 0.1 1 76 . 20 LYS HB2 H 1.85 0.1 2 77 . 20 LYS HG2 H 1.39 0.1 4 78 . 20 LYS HG3 H 1.53 0.1 4 79 . 20 LYS HD2 H 1.66 0.1 4 80 . 20 LYS HE2 H 2.95 0.1 2 81 . 20 LYS HZ H 7.53 0.1 1 82 . 21 GLU H H 8.06 0.1 1 83 . 21 GLU HA H 4.20 0.1 1 84 . 21 GLU HB2 H 2.11 0.1 2 85 . 21 GLU HG2 H 2.43 0.1 2 86 . 21 GLU HG3 H 2.52 0.1 2 87 . 22 PHE H H 8.14 0.1 1 88 . 22 PHE HA H 4.22 0.1 1 89 . 22 PHE HB2 H 2.93 0.1 2 90 . 22 PHE HB3 H 3.05 0.1 2 91 . 23 ILE H H 7.97 0.1 1 92 . 23 ILE HA H 3.66 0.1 1 93 . 23 ILE HB H 1.82 0.1 1 94 . 23 ILE HG12 H 1.20 0.1 2 95 . 23 ILE HG13 H 1.58 0.1 2 96 . 23 ILE HG2 H 0.77 0.1 1 97 . 23 ILE HD1 H 0.80 0.1 1 98 . 24 ALA H H 7.81 0.1 1 99 . 24 ALA HA H 4.07 0.1 1 100 . 24 ALA HB H 1.41 0.1 1 101 . 25 TRP H H 7.84 0.1 1 102 . 25 TRP HA H 4.30 0.1 1 103 . 25 TRP HB2 H 3.24 0.1 2 104 . 25 TRP HB3 H 3.39 0.1 2 105 . 25 TRP HE1 H 9.96 0.1 4 106 . 25 TRP HE3 H 7.07 0.1 4 107 . 26 LEU H H 7.98 0.1 1 108 . 26 LEU HA H 3.78 0.1 1 109 . 26 LEU HB2 H 1.37 0.1 2 110 . 26 LEU HB3 H 1.53 0.1 2 111 . 26 LEU HD1 H 0.71 0.1 2 112 . 27 VAL H H 7.91 0.1 1 113 . 27 VAL HA H 3.85 0.1 1 114 . 27 VAL HB H 2.08 0.1 1 115 . 27 VAL HG1 H 0.88 0.1 2 116 . 27 VAL HG2 H 0.93 0.1 2 117 . 28 LYS H H 7.96 0.1 1 118 . 28 LYS HA H 4.12 0.1 1 119 . 28 LYS HB2 H 1.80 0.1 2 120 . 28 LYS HG2 H 1.41 0.1 4 121 . 28 LYS HG3 H 1.51 0.1 4 122 . 28 LYS HD2 H 1.63 0.1 4 123 . 28 LYS HE2 H 2.93 0.1 2 124 . 28 LYS HZ H 7.47 0.1 1 125 . 29 GLY H H 8.06 0.1 1 126 . 29 GLY HA2 H 3.80 0.1 2 127 . 30 ARG H H 7.89 0.1 1 128 . 30 ARG HA H 4.16 0.1 1 129 . 30 ARG HB2 H 1.66 0.1 2 130 . 30 ARG HB3 H 1.79 0.1 2 131 . 30 ARG HG2 H 1.53 0.1 4 132 . 30 ARG HD2 H 3.08 0.1 2 133 . 30 ARG HH11 H 7.10 0.1 4 stop_ save_ save_chemical_shift_assignment_sample3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.32 0.1 1 2 . 1 HIS HD1 H 8.66 0.1 1 3 . 1 HIS HE1 H 7.41 0.1 2 4 . 2 ALA H H 8.79 0.1 1 5 . 2 ALA HA H 4.39 0.1 1 6 . 2 ALA HB H 1.39 0.1 1 7 . 3 GLU H H 8.58 0.1 1 8 . 3 GLU HA H 4.44 0.1 1 9 . 3 GLU HB2 H 1.98 0.1 2 10 . 3 GLU HB3 H 2.13 0.1 2 11 . 3 GLU HG2 H 2.50 0.1 2 12 . 4 GLY H H 8.40 0.1 1 13 . 4 GLY HA2 H 3.96 0.1 2 14 . 5 THR H H 7.94 0.1 1 15 . 5 THR HA H 4.29 0.1 1 16 . 5 THR HB H 4.12 0.1 1 17 . 5 THR HG2 H 1.09 0.1 1 18 . 6 PHE H H 8.30 0.1 1 19 . 6 PHE HA H 4.64 0.1 1 20 . 6 PHE HB2 H 3.01 0.1 2 21 . 6 PHE HB3 H 3.11 0.1 2 22 . 7 THR H H 7.96 0.1 1 23 . 7 THR HA H 4.23 0.1 1 24 . 7 THR HB H 4.14 0.1 1 25 . 7 THR HG2 H 1.14 0.1 1 26 . 8 SER H H 8.14 0.1 1 27 . 8 SER HA H 4.39 0.1 1 28 . 8 SER HB2 H 3.89 0.1 2 29 . 8 SER HB3 H 3.82 0.1 2 30 . 9 ASP H H 8.40 0.1 1 31 . 9 ASP HA H 4.70 0.1 1 32 . 9 ASP HB2 H 2.87 0.1 2 33 . 10 VAL H H 7.99 0.1 1 34 . 10 VAL HA H 3.99 0.1 1 35 . 10 VAL HB H 2.06 0.1 1 36 . 10 VAL HG1 H 0.88 0.1 2 37 . 11 SER H H 8.15 0.1 1 38 . 11 SER HA H 4.28 0.1 1 39 . 11 SER HB2 H 3.85 0.1 2 40 . 12 SER H H 8.12 0.1 1 41 . 12 SER HA H 4.27 0.1 1 42 . 12 SER HB2 H 3.92 0.1 2 43 . 12 SER HB3 H 3.82 0.1 2 44 . 13 TYR H H 7.93 0.1 1 45 . 13 TYR HA H 4.40 0.1 1 46 . 13 TYR HB2 H 3.03 0.1 2 47 . 13 TYR HD1 H 7.04 0.1 3 48 . 13 TYR HE1 H 6.75 0.1 3 49 . 14 LEU H H 7.99 0.1 1 50 . 14 LEU HA H 4.06 0.1 1 51 . 14 LEU HB2 H 1.69 0.1 2 52 . 14 LEU HB3 H 1.45 0.1 2 53 . 14 LEU HD1 H 0.81 0.1 2 54 . 15 GLU H H 8.04 0.1 1 55 . 15 GLU HA H 4.14 0.1 1 56 . 15 GLU HB2 H 2.20 0.1 2 57 . 15 GLU HG2 H 2.47 0.1 2 58 . 15 GLU HG3 H 2.58 0.1 2 59 . 16 GLY H H 8.13 0.1 1 60 . 16 GLY HA2 H 3.88 0.1 2 61 . 17 GLN H H 8.17 0.1 1 62 . 17 GLN HA H 4.08 0.1 1 63 . 17 GLN HB2 H 2.03 0.1 2 64 . 17 GLN HG2 H 2.24 0.1 2 65 . 18 ALA H H 8.20 0.1 1 66 . 18 ALA HA H 4.16 0.1 1 67 . 18 ALA HB H 1.46 0.1 1 68 . 19 ALA H H 7.90 0.1 1 69 . 19 ALA HA H 4.05 0.1 1 70 . 19 ALA HB H 1.39 0.1 1 71 . 20 LYS H H 7.75 0.1 1 72 . 20 LYS HA H 3.98 0.1 1 73 . 20 LYS HB2 H 1.88 0.1 2 74 . 20 LYS HG2 H 1.39 0.1 4 75 . 20 LYS HG3 H 1.56 0.1 4 76 . 20 LYS HD2 H 1.65 0.1 4 77 . 20 LYS HE2 H 2.93 0.1 2 78 . 20 LYS HZ H 7.53 0.1 1 79 . 21 GLU H H 8.03 0.1 1 80 . 21 GLU HA H 4.16 0.1 1 81 . 21 GLU HB2 H 2.06 0.1 2 82 . 21 GLU HG2 H 2.48 0.1 2 83 . 21 GLU HG3 H 2.38 0.1 2 84 . 22 PHE H H 8.17 0.1 1 85 . 22 PHE HA H 4.09 0.1 1 86 . 22 PHE HB2 H 2.89 0.1 2 87 . 22 PHE HB3 H 3.04 0.1 2 88 . 23 ILE H H 8.06 0.1 1 89 . 23 ILE HA H 3.56 0.1 1 90 . 23 ILE HB H 1.86 0.1 1 91 . 23 ILE HG12 H 1.24 0.1 2 92 . 23 ILE HG13 H 1.45 0.1 2 93 . 23 ILE HG2 H 0.81 0.1 1 94 . 24 ALA H H 7.74 0.1 1 95 . 24 ALA HA H 4.03 0.1 1 96 . 24 ALA HB H 1.43 0.1 1 97 . 25 TRP H H 7.89 0.1 1 98 . 25 TRP HA H 4.17 0.1 1 99 . 25 TRP HB2 H 3.21 0.1 2 100 . 25 TRP HB3 H 3.41 0.1 2 101 . 25 TRP HE1 H 9.84 0.1 2 102 . 25 TRP HE3 H 7.00 0.1 3 103 . 26 LEU H H 8.10 0.1 1 104 . 26 LEU HA H 3.60 0.1 1 105 . 26 LEU HB2 H 1.35 0.1 2 106 . 26 LEU HB3 H 1.54 0.1 2 107 . 26 LEU HD1 H 0.65 0.1 2 108 . 26 LEU HD2 H 0.68 0.1 2 109 . 27 VAL H H 8.00 0.1 1 110 . 27 VAL HA H 3.75 0.1 1 111 . 27 VAL HB H 2.08 0.1 1 112 . 27 VAL HG1 H 0.86 0.1 2 113 . 27 VAL HG2 H 0.93 0.1 2 114 . 28 LYS H H 7.80 0.1 1 115 . 28 LYS HA H 4.14 0.1 1 116 . 28 LYS HB2 H 1.79 0.1 2 117 . 28 LYS HG2 H 1.37 0.1 4 118 . 28 LYS HG3 H 1.41 0.1 4 119 . 28 LYS HD2 H 1.61 0.1 4 120 . 28 LYS HE2 H 2.91 0.1 2 121 . 28 LYS HZ H 7.47 0.1 1 122 . 29 GLY H H 7.94 0.1 1 123 . 29 GLY HA2 H 3.69 0.1 2 124 . 29 GLY HA3 H 3.79 0.1 1 125 . 30 ARG H H 7.77 0.1 1 126 . 30 ARG HA H 4.09 0.1 1 127 . 30 ARG HB2 H 1.62 0.1 2 128 . 30 ARG HB3 H 1.75 0.1 2 129 . 30 ARG HG2 H 1.48 0.1 4 130 . 30 ARG HD2 H 3.02 0.1 2 131 . 30 ARG HH11 H 7.08 0.1 4 stop_ save_ save_chemical_shift_assignment_sample4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.32 0.1 1 2 . 1 HIS HD1 H 8.68 0.1 1 3 . 1 HIS HE1 H 7.44 0.1 2 4 . 2 ALA H H 8.80 0.1 1 5 . 2 ALA HA H 4.41 0.1 1 6 . 2 ALA HB H 1.41 0.1 1 7 . 3 GLU H H 8.58 0.1 1 8 . 3 GLU HA H 4.47 0.1 1 9 . 3 GLU HB2 H 2.01 0.1 2 10 . 3 GLU HB3 H 2.16 0.1 2 11 . 3 GLU HG2 H 2.51 0.1 2 12 . 4 GLY H H 8.41 0.1 1 13 . 4 GLY HA2 H 3.98 0.1 2 14 . 5 THR H H 7.95 0.1 1 15 . 5 THR HA H 4.32 0.1 1 16 . 5 THR HB H 4.16 0.1 1 17 . 5 THR HG2 H 1.13 0.1 1 18 . 6 PHE H H 8.32 0.1 1 19 . 6 PHE HA H 4.63 0.1 1 20 . 6 PHE HB2 H 3.06 0.1 2 21 . 6 PHE HB3 H 3.14 0.1 2 22 . 7 THR H H 7.95 0.1 1 23 . 7 THR HA H 4.20 0.1 1 24 . 7 THR HB H 4.20 0.1 1 25 . 7 THR HG2 H 1.18 0.1 1 26 . 8 SER H H 8.13 0.1 1 27 . 8 SER HA H 4.39 0.1 1 28 . 8 SER HB2 H 3.87 0.1 2 29 . 8 SER HB3 H 3.93 0.1 2 30 . 9 ASP H H 8.38 0.1 1 31 . 9 ASP HA H 4.69 0.1 1 32 . 9 ASP HB2 H 2.91 0.1 2 33 . 10 VAL H H 8.00 0.1 1 34 . 10 VAL HA H 3.93 0.1 1 35 . 10 VAL HB H 2.06 0.1 1 36 . 10 VAL HG1 H 0.90 0.1 2 37 . 11 SER H H 8.14 0.1 1 38 . 11 SER HA H 4.24 0.1 1 39 . 11 SER HB2 H 3.89 0.1 2 40 . 11 SER HB3 H 3.96 0.1 2 41 . 12 SER H H 8.07 0.1 1 42 . 12 SER HA H 4.28 0.1 1 43 . 12 SER HB2 H 3.87 0.1 2 44 . 12 SER HB3 H 3.92 0.1 2 45 . 13 TYR H H 7.94 0.1 1 46 . 13 TYR HA H 4.36 0.1 1 47 . 13 TYR HB2 H 3.09 0.1 2 48 . 13 TYR HD1 H 7.05 0.1 3 49 . 13 TYR HE1 H 6.77 0.1 3 50 . 14 LEU H H 8.15 0.1 1 51 . 14 LEU HA H 4.01 0.1 1 52 . 14 LEU HB2 H 1.25 0.1 2 53 . 14 LEU HB3 H 1.50 0.1 2 54 . 14 LEU HD1 H 0.76 0.1 2 55 . 14 LEU HD2 H 0.74 0.1 2 56 . 15 GLU H H 8.12 0.1 1 57 . 15 GLU HA H 4.12 0.1 1 58 . 15 GLU HB2 H 2.10 0.1 2 59 . 15 GLU HG2 H 2.53 0.1 2 60 . 15 GLU HG3 H 2.41 0.1 2 61 . 16 GLY H H 8.07 0.1 1 62 . 16 GLY HA2 H 3.91 0.1 2 63 . 17 GLN H H 8.10 0.1 1 64 . 17 GLN HA H 4.07 0.1 1 65 . 17 GLN HB2 H 2.05 0.1 2 66 . 17 GLN HG2 H 2.21 0.1 2 67 . 18 ALA H H 8.20 0.1 1 68 . 18 ALA HA H 4.14 0.1 1 69 . 18 ALA HB H 1.49 0.1 1 70 . 19 ALA H H 7.94 0.1 1 71 . 19 ALA HA H 4.08 0.1 1 72 . 19 ALA HB H 1.44 0.1 1 73 . 20 LYS H H 7.74 0.1 1 74 . 20 LYS HA H 3.96 0.1 1 75 . 20 LYS HB2 H 1.90 0.1 2 76 . 20 LYS HG2 H 1.40 0.1 4 77 . 20 LYS HD2 H 1.65 0.1 4 78 . 20 LYS HE2 H 2.94 0.1 2 79 . 20 LYS HZ H 7.56 0.1 1 80 . 21 GLU H H 8.02 0.1 1 81 . 21 GLU HA H 4.13 0.1 1 82 . 21 GLU HB2 H 2.26 0.1 2 83 . 21 GLU HG2 H 2.50 0.1 2 84 . 21 GLU HG3 H 2.62 0.1 2 85 . 22 PHE H H 8.22 0.1 1 86 . 22 PHE HA H 4.11 0.1 1 87 . 22 PHE HB2 H 2.98 0.1 2 88 . 22 PHE HB3 H 3.11 0.1 2 89 . 23 ILE H H 8.23 0.1 1 90 . 23 ILE HA H 3.55 0.1 1 91 . 23 ILE HB H 1.92 0.1 1 92 . 23 ILE HG12 H 1.30 0.1 2 93 . 23 ILE HG13 H 1.48 0.1 2 94 . 23 ILE HG2 H 0.82 0.1 1 95 . 23 ILE HD1 H 0.86 0.1 1 96 . 24 ALA H H 7.79 0.1 1 97 . 24 ALA HA H 4.00 0.1 1 98 . 24 ALA HB H 1.48 0.1 1 99 . 25 TRP H H 7.98 0.1 1 100 . 25 TRP HA H 4.12 0.1 1 101 . 25 TRP HB2 H 3.24 0.1 2 102 . 25 TRP HB3 H 3.49 0.1 2 103 . 25 TRP HE1 H 9.79 0.1 2 104 . 25 TRP HE3 H 7.02 0.1 3 105 . 26 LEU H H 8.26 0.1 1 106 . 26 LEU HA H 3.54 0.1 1 107 . 26 LEU HB2 H 1.38 0.1 2 108 . 26 LEU HB3 H 1.62 0.1 2 109 . 26 LEU HD1 H 0.66 0.1 2 110 . 26 LEU HD2 H 0.70 0.1 2 111 . 27 VAL H H 8.18 0.1 1 112 . 27 VAL HA H 3.72 0.1 1 113 . 27 VAL HB H 2.11 0.1 1 114 . 27 VAL HG1 H 0.88 0.1 2 115 . 27 VAL HG2 H 0.96 0.1 2 116 . 28 LYS H H 7.84 0.1 1 117 . 28 LYS HA H 4.15 0.1 1 118 . 28 LYS HB2 H 1.83 0.1 2 119 . 28 LYS HG2 H 1.40 0.1 4 120 . 28 LYS HG3 H 1.44 0.1 4 121 . 28 LYS HD2 H 1.63 0.1 4 122 . 28 LYS HE2 H 2.92 0.1 2 123 . 28 LYS HZ H 7.49 0.1 1 124 . 29 GLY H H 7.91 0.1 1 125 . 29 GLY HA2 H 3.66 0.1 2 126 . 29 GLY HA3 H 3.81 0.1 1 127 . 30 ARG H H 7.71 0.1 1 128 . 30 ARG HA H 4.07 0.1 1 129 . 30 ARG HB2 H 1.65 0.1 2 130 . 30 ARG HB3 H 1.74 0.1 2 131 . 30 ARG HG2 H 1.52 0.1 4 132 . 30 ARG HD2 H 3.02 0.1 2 133 . 30 ARG HH11 H 7.09 0.1 4 stop_ save_ save_chemical_shift_assignment_sample5 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_5 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.32 0.1 1 2 . 1 HIS HD1 H 8.68 0.1 1 3 . 1 HIS HE1 H 7.45 0.1 2 4 . 2 ALA H H 8.80 0.1 1 5 . 2 ALA HA H 4.43 0.1 1 6 . 2 ALA HB H 1.43 0.1 1 7 . 3 GLU H H 8.55 0.1 1 8 . 3 GLU HA H 4.50 0.1 1 9 . 3 GLU HB2 H 2.02 0.1 2 10 . 3 GLU HB3 H 2.18 0.1 2 11 . 3 GLU HG2 H 2.52 0.1 2 12 . 4 GLY H H 8.39 0.1 1 13 . 4 GLY HA2 H 4.00 0.1 2 14 . 5 THR H H 7.95 0.1 1 15 . 5 THR HA H 4.34 0.1 1 16 . 5 THR HB H 4.21 0.1 1 17 . 5 THR HG2 H 1.17 0.1 1 18 . 6 PHE H H 8.34 0.1 1 19 . 6 PHE HA H 4.60 0.1 1 20 . 6 PHE HB2 H 3.16 0.1 2 21 . 6 PHE HB3 H 3.13 0.1 2 22 . 7 THR H H 7.94 0.1 1 23 . 7 THR HA H 4.13 0.1 1 24 . 7 THR HB H 4.21 0.1 1 25 . 7 THR HG2 H 1.22 0.1 1 26 . 8 SER H H 8.10 0.1 1 27 . 8 SER HA H 4.38 0.1 1 28 . 8 SER HB2 H 3.97 0.1 2 29 . 8 SER HB3 H 3.90 0.1 2 30 . 9 ASP H H 8.36 0.1 1 31 . 9 ASP HA H 4.65 0.1 1 32 . 9 ASP HB2 H 2.91 0.1 2 33 . 9 ASP HB3 H 2.96 0.1 2 34 . 10 VAL H H 8.03 0.1 1 35 . 10 VAL HA H 3.86 0.1 1 36 . 10 VAL HB H 2.03 0.1 1 37 . 10 VAL HG1 H 0.92 0.1 2 38 . 10 VAL HG2 H 0.87 0.1 2 39 . 11 SER H H 8.12 0.1 1 40 . 11 SER HA H 4.18 0.1 1 41 . 11 SER HB2 H 3.93 0.1 2 42 . 11 SER HB3 H 3.98 0.1 2 43 . 12 SER H H 8.01 0.1 1 44 . 12 SER HA H 4.27 0.1 1 45 . 12 SER HB2 H 3.93 0.1 2 46 . 12 SER HB3 H 3.98 0.1 2 47 . 13 TYR H H 7.95 0.1 1 48 . 13 TYR HA H 4.33 0.1 1 49 . 13 TYR HB2 H 3.17 0.1 2 50 . 13 TYR HD1 H 7.07 0.1 3 51 . 13 TYR HE1 H 6.78 0.1 3 52 . 14 LEU H H 8.36 0.1 1 53 . 14 LEU HA H 4.00 0.1 1 54 . 14 LEU HB2 H 1.89 0.1 2 55 . 14 LEU HB3 H 1.50 0.1 2 56 . 15 GLU H H 8.27 0.1 1 57 . 15 GLU HA H 4.08 0.1 1 58 . 15 GLU HB2 H 2.15 0.1 2 59 . 15 GLU HG2 H 2.44 0.1 2 60 . 15 GLU HG3 H 2.60 0.1 2 61 . 16 GLY H H 8.02 0.1 1 62 . 16 GLY HA2 H 3.91 0.1 2 63 . 17 GLN H H 7.98 0.1 1 64 . 17 GLN HA H 4.05 0.1 1 65 . 17 GLN HB2 H 2.14 0.1 2 66 . 17 GLN HG2 H 2.14 0.1 2 67 . 18 ALA H H 8.18 0.1 1 68 . 18 ALA HA H 4.14 0.1 1 69 . 18 ALA HB H 1.48 0.1 1 70 . 19 ALA H H 8.02 0.1 1 71 . 19 ALA HA H 4.14 0.1 1 72 . 19 ALA HB H 1.51 0.1 1 73 . 20 LYS H H 7.75 0.1 1 74 . 20 LYS HA H 3.96 0.1 1 75 . 20 LYS HB2 H 1.93 0.1 2 76 . 20 LYS HG2 H 1.43 0.1 4 77 . 20 LYS HD2 H 1.68 0.1 4 78 . 20 LYS HE2 H 2.94 0.1 2 79 . 20 LYS HZ H 7.56 0.1 1 80 . 21 GLU H H 7.98 0.1 1 81 . 21 GLU HA H 4.10 0.1 1 82 . 21 GLU HB2 H 2.23 0.1 2 83 . 21 GLU HG2 H 2.47 0.1 2 84 . 21 GLU HG3 H 2.60 0.1 2 85 . 22 PHE H H 8.23 0.1 1 86 . 22 PHE HA H 4.33 0.1 1 87 . 22 PHE HB2 H 3.24 0.1 2 88 . 22 PHE HB3 H 3.18 0.1 2 89 . 23 ILE H H 8.40 0.1 1 90 . 23 ILE HA H 3.62 0.1 1 91 . 23 ILE HB H 1.96 0.1 1 92 . 23 ILE HG12 H 1.34 0.1 2 93 . 23 ILE HG2 H 0.90 0.1 1 94 . 23 ILE HD1 H 0.86 0.1 1 95 . 24 ALA H H 7.89 0.1 1 96 . 24 ALA HA H 3.99 0.1 1 97 . 24 ALA HB H 1.49 0.1 1 98 . 25 TRP H H 8.00 0.1 1 99 . 25 TRP HA H 4.17 0.1 1 100 . 25 TRP HB2 H 3.30 0.1 2 101 . 25 TRP HB3 H 3.55 0.1 2 102 . 25 TRP HE1 H 9.82 0.1 2 103 . 25 TRP HE3 H 7.13 0.1 3 104 . 26 LEU H H 8.35 0.1 1 105 . 26 LEU HA H 3.57 0.1 1 106 . 26 LEU HB2 H 1.46 0.1 2 107 . 26 LEU HB3 H 1.70 0.1 2 108 . 26 LEU HD1 H 0.73 0.1 2 109 . 26 LEU HD2 H 0.75 0.1 2 110 . 27 VAL H H 8.32 0.1 1 111 . 27 VAL HA H 3.71 0.1 1 112 . 27 VAL HB H 2.13 0.1 1 113 . 27 VAL HG1 H 0.89 0.1 2 114 . 27 VAL HG2 H 0.99 0.1 2 115 . 28 LYS H H 7.93 0.1 1 116 . 28 LYS HA H 4.15 0.1 1 117 . 28 LYS HB2 H 1.86 0.1 2 118 . 28 LYS HG2 H 1.41 0.1 4 119 . 28 LYS HG3 H 1.47 0.1 4 120 . 28 LYS HD2 H 1.64 0.1 4 121 . 28 LYS HE2 H 2.92 0.1 2 122 . 28 LYS HZ H 7.50 0.1 1 123 . 29 GLY H H 7.93 0.1 1 124 . 29 GLY HA2 H 3.84 0.1 2 125 . 29 GLY HA3 H 3.68 0.1 1 126 . 30 ARG H H 7.70 0.1 1 127 . 30 ARG HA H 4.08 0.1 1 128 . 30 ARG HB2 H 1.66 0.1 2 129 . 30 ARG HB3 H 1.75 0.1 2 130 . 30 ARG HG2 H 1.51 0.1 4 131 . 30 ARG HD2 H 3.03 0.1 2 132 . 30 ARG HH11 H 7.10 0.1 4 stop_ save_ save_chemical_shift_assignment_sample6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_6 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.34 0.1 1 2 . 1 HIS HD1 H 8.69 0.1 1 3 . 1 HIS HE1 H 7.47 0.1 2 4 . 2 ALA H H 8.81 0.1 1 5 . 2 ALA HA H 4.44 0.1 1 6 . 2 ALA HB H 1.45 0.1 1 7 . 3 GLU H H 8.55 0.1 1 8 . 3 GLU HA H 4.52 0.1 1 9 . 3 GLU HB2 H 2.04 0.1 2 10 . 3 GLU HB3 H 2.20 0.1 2 11 . 3 GLU HG2 H 2.54 0.1 2 12 . 4 GLY H H 8.39 0.1 1 13 . 4 GLY HA2 H 4.04 0.1 2 14 . 5 THR H H 7.97 0.1 1 15 . 5 THR HA H 4.36 0.1 1 16 . 5 THR HB H 4.26 0.1 1 17 . 5 THR HG2 H 1.20 0.1 1 18 . 6 PHE H H 8.37 0.1 1 19 . 6 PHE HA H 4.59 0.1 1 20 . 6 PHE HB2 H 3.16 0.1 2 21 . 6 PHE HB3 H 3.18 0.1 2 22 . 7 THR H H 7.94 0.1 1 23 . 7 THR HA H 4.10 0.1 1 24 . 7 THR HB H 4.24 0.1 1 25 . 7 THR HG2 H 1.24 0.1 1 26 . 8 SER H H 8.09 0.1 1 27 . 8 SER HA H 4.38 0.1 1 28 . 8 SER HB2 H 3.93 0.1 2 29 . 8 SER HB3 H 4.00 0.1 2 30 . 9 ASP H H 8.36 0.1 1 31 . 9 ASP HA H 4.63 0.1 1 32 . 9 ASP HB2 H 2.90 0.1 2 33 . 9 ASP HB3 H 3.01 0.1 2 34 . 10 VAL H H 8.07 0.1 1 35 . 10 VAL HA H 3.83 0.1 1 36 . 10 VAL HB H 2.03 0.1 1 37 . 10 VAL HG1 H 0.94 0.1 2 38 . 10 VAL HG2 H 0.87 0.1 2 39 . 11 SER H H 8.13 0.1 1 40 . 11 SER HA H 4.19 0.1 1 41 . 11 SER HB2 H 3.96 0.1 2 42 . 11 SER HB3 H 4.01 0.1 2 43 . 12 SER H H 8.00 0.1 1 44 . 12 SER HA H 4.28 0.1 1 45 . 12 SER HB2 H 3.97 0.1 2 46 . 12 SER HB3 H 4.02 0.1 2 47 . 13 TYR H H 7.98 0.1 1 48 . 13 TYR HA H 4.33 0.1 1 49 . 13 TYR HB2 H 3.21 0.1 2 50 . 13 TYR HD1 H 7.09 0.1 3 51 . 13 TYR HE1 H 6.80 0.1 3 52 . 14 LEU H H 8.47 0.1 1 53 . 14 LEU HA H 3.96 0.1 1 54 . 14 LEU HB2 H 1.95 0.1 2 55 . 14 LEU HB3 H 1.52 0.1 2 56 . 14 LEU HG H 0.92 0.1 1 57 . 15 GLU H H 8.36 0.1 1 58 . 15 GLU HA H 4.06 0.1 1 59 . 15 GLU HB2 H 2.21 0.1 2 60 . 15 GLU HG2 H 2.46 0.1 2 61 . 15 GLU HG3 H 2.65 0.1 2 62 . 16 GLY H H 8.02 0.1 1 63 . 16 GLY HA2 H 3.92 0.1 2 64 . 17 GLN H H 7.96 0.1 1 65 . 17 GLN HA H 4.06 0.1 1 66 . 17 GLN HB2 H 2.06 0.1 2 67 . 17 GLN HG2 H 2.16 0.1 2 68 . 18 ALA H H 8.19 0.1 1 69 . 18 ALA HA H 4.09 0.1 1 70 . 18 ALA HB H 1.49 0.1 1 71 . 19 ALA H H 8.08 0.1 1 72 . 19 ALA HA H 4.18 0.1 1 73 . 19 ALA HB H 1.55 0.1 1 74 . 20 LYS H H 7.77 0.1 1 75 . 20 LYS HA H 3.98 0.1 1 76 . 20 LYS HB2 H 1.95 0.1 2 77 . 20 LYS HG2 H 1.46 0.1 4 78 . 20 LYS HD2 H 1.70 0.1 4 79 . 20 LYS HE2 H 2.96 0.1 2 80 . 20 LYS HZ H 7.58 0.1 1 81 . 21 GLU H H 7.99 0.1 1 82 . 21 GLU HA H 4.11 0.1 1 83 . 21 GLU HB2 H 2.24 0.1 2 84 . 21 GLU HG2 H 2.48 0.1 2 85 . 21 GLU HG3 H 2.63 0.1 2 86 . 22 PHE H H 8.26 0.1 1 87 . 22 PHE HA H 4.41 0.1 1 88 . 22 PHE HB2 H 3.31 0.1 2 89 . 22 PHE HB3 H 3.26 0.1 2 90 . 23 ILE H H 8.46 0.1 1 91 . 23 ILE HA H 3.65 0.1 1 92 . 23 ILE HB H 1.98 0.1 1 93 . 23 ILE HG12 H 1.36 0.1 2 94 . 23 ILE HG2 H 0.93 0.1 1 95 . 23 ILE HD1 H 0.89 0.1 1 96 . 24 ALA H H 7.94 0.1 1 97 . 24 ALA HA H 4.00 0.1 1 98 . 24 ALA HB H 1.51 0.1 1 99 . 25 TRP H H 8.03 0.1 1 100 . 25 TRP HA H 4.20 0.1 1 101 . 25 TRP HB2 H 3.33 0.1 2 102 . 25 TRP HB3 H 3.59 0.1 2 103 . 25 TRP HE1 H 9.82 0.1 2 104 . 25 TRP HE3 H 7.16 0.1 3 105 . 26 LEU H H 8.39 0.1 1 106 . 26 LEU HA H 3.60 0.1 1 107 . 26 LEU HB2 H 1.48 0.1 2 108 . 26 LEU HB3 H 1.74 0.1 2 109 . 26 LEU HD1 H 0.76 0.1 2 110 . 27 VAL H H 8.38 0.1 1 111 . 27 VAL HA H 3.72 0.1 1 112 . 27 VAL HB H 2.16 0.1 1 113 . 27 VAL HG1 H 0.91 0.1 2 114 . 27 VAL HG2 H 1.01 0.1 2 115 . 28 LYS H H 7.99 0.1 1 116 . 28 LYS HA H 4.16 0.1 1 117 . 28 LYS HB2 H 1.88 0.1 2 118 . 28 LYS HG2 H 1.43 0.1 4 119 . 28 LYS HG3 H 1.50 0.1 4 120 . 28 LYS HD2 H 1.65 0.1 4 121 . 28 LYS HE2 H 2.93 0.1 2 122 . 28 LYS HZ H 7.51 0.1 1 123 . 29 GLY H H 7.96 0.1 1 124 . 29 GLY HA2 H 3.85 0.1 2 125 . 29 GLY HA3 H 3.69 0.1 1 126 . 30 ARG H H 7.71 0.1 1 127 . 30 ARG HA H 4.10 0.1 1 128 . 30 ARG HB2 H 1.69 0.1 2 129 . 30 ARG HB3 H 1.77 0.1 2 130 . 30 ARG HG2 H 1.53 0.1 4 131 . 30 ARG HD2 H 3.05 0.1 2 132 . 30 ARG HH11 H 7.12 0.1 4 stop_ save_ save_chemical_shift_assignment_sample7 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_7 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.35 0.1 1 2 . 1 HIS HD1 H 8.70 0.1 1 3 . 1 HIS HE1 H 7.49 0.1 2 4 . 2 ALA H H 8.81 0.1 1 5 . 2 ALA HA H 4.46 0.1 1 6 . 2 ALA HB H 1.47 0.1 1 7 . 3 GLU H H 8.54 0.1 1 8 . 3 GLU HA H 4.54 0.1 1 9 . 3 GLU HB2 H 2.05 0.1 2 10 . 3 GLU HB3 H 2.22 0.1 2 11 . 3 GLU HG2 H 2.55 0.1 2 12 . 4 GLY H H 8.39 0.1 1 13 . 4 GLY HA2 H 4.06 0.1 2 14 . 5 THR H H 7.97 0.1 1 15 . 5 THR HA H 4.39 0.1 1 16 . 5 THR HB H 4.28 0.1 1 17 . 5 THR HG2 H 1.22 0.1 1 18 . 6 PHE H H 8.38 0.1 1 19 . 6 PHE HA H 4.60 0.1 1 20 . 6 PHE HB2 H 3.19 0.1 2 21 . 7 THR H H 7.94 0.1 1 22 . 7 THR HA H 4.08 0.1 1 23 . 7 THR HB H 4.25 0.1 1 24 . 7 THR HG2 H 1.27 0.1 1 25 . 8 SER H H 8.08 0.1 1 26 . 8 SER HA H 4.38 0.1 1 27 . 8 SER HB2 H 3.96 0.1 2 28 . 8 SER HB3 H 4.02 0.1 2 29 . 9 ASP H H 8.35 0.1 1 30 . 9 ASP HA H 4.63 0.1 1 31 . 9 ASP HB2 H 2.90 0.1 2 32 . 9 ASP HB3 H 3.04 0.1 2 33 . 10 VAL H H 8.09 0.1 1 34 . 10 VAL HA H 3.82 0.1 1 35 . 10 VAL HB H 2.03 0.1 1 36 . 10 VAL HG1 H 0.87 0.1 2 37 . 10 VAL HG2 H 0.95 0.1 2 38 . 11 SER H H 8.14 0.1 1 39 . 11 SER HA H 4.19 0.1 1 40 . 11 SER HB2 H 3.98 0.1 2 41 . 11 SER HB3 H 4.02 0.1 2 42 . 12 SER H H 7.99 0.1 1 43 . 12 SER HA H 4.30 0.1 1 44 . 12 SER HB2 H 3.98 0.1 2 45 . 12 SER HB3 H 4.05 0.1 2 46 . 13 TYR H H 8.00 0.1 1 47 . 13 TYR HA H 4.33 0.1 1 48 . 13 TYR HB2 H 3.22 0.1 2 49 . 13 TYR HB3 H 3.25 0.1 1 50 . 13 TYR HD1 H 7.10 0.1 3 51 . 13 TYR HE1 H 6.80 0.1 3 52 . 14 LEU H H 8.52 0.1 1 53 . 14 LEU HA H 3.96 0.1 1 54 . 14 LEU HB2 H 1.96 0.1 2 55 . 14 LEU HB3 H 1.53 0.1 2 56 . 14 LEU HG H 0.93 0.1 1 57 . 15 GLU H H 8.41 0.1 1 58 . 15 GLU HA H 4.07 0.1 1 59 . 15 GLU HB2 H 2.24 0.1 2 60 . 15 GLU HG2 H 2.47 0.1 2 61 . 15 GLU HG3 H 2.67 0.1 2 62 . 16 GLY H H 8.03 0.1 1 63 . 16 GLY HA2 H 3.92 0.1 2 64 . 17 GLN H H 7.95 0.1 1 65 . 17 GLN HA H 4.07 0.1 1 66 . 17 GLN HB2 H 2.09 0.1 2 67 . 17 GLN HG2 H 2.15 0.1 2 68 . 18 ALA H H 8.21 0.1 1 69 . 18 ALA HA H 4.10 0.1 1 70 . 18 ALA HB H 1.50 0.1 1 71 . 19 ALA H H 8.10 0.1 1 72 . 19 ALA HA H 4.20 0.1 1 73 . 19 ALA HB H 1.56 0.1 1 74 . 20 LYS H H 7.78 0.1 1 75 . 20 LYS HA H 4.00 0.1 1 76 . 20 LYS HB2 H 1.96 0.1 2 77 . 20 LYS HG2 H 1.54 0.1 4 78 . 20 LYS HD2 H 1.73 0.1 4 79 . 20 LYS HE2 H 2.97 0.1 2 80 . 20 LYS HZ H 7.58 0.1 1 81 . 21 GLU H H 8.00 0.1 1 82 . 21 GLU HA H 4.11 0.1 1 83 . 21 GLU HB2 H 2.26 0.1 2 84 . 21 GLU HG2 H 2.49 0.1 2 85 . 21 GLU HG3 H 2.63 0.1 2 86 . 22 PHE H H 8.26 0.1 1 87 . 22 PHE HA H 4.44 0.1 1 88 . 22 PHE HB2 H 3.33 0.1 2 89 . 22 PHE HB3 H 3.29 0.1 2 90 . 23 ILE H H 8.48 0.1 1 91 . 23 ILE HA H 3.67 0.1 1 92 . 23 ILE HB H 2.00 0.1 1 93 . 23 ILE HG12 H 1.38 0.1 2 94 . 23 ILE HG2 H 0.95 0.1 1 95 . 23 ILE HD1 H 0.90 0.1 1 96 . 24 ALA H H 7.97 0.1 1 97 . 24 ALA HA H 4.02 0.1 1 98 . 24 ALA HB H 1.53 0.1 1 99 . 25 TRP H H 8.05 0.1 1 100 . 25 TRP HA H 4.21 0.1 1 101 . 25 TRP HB2 H 3.34 0.1 2 102 . 25 TRP HB3 H 3.60 0.1 2 103 . 25 TRP HE1 H 9.78 0.1 2 104 . 25 TRP HE3 H 7.18 0.1 3 105 . 26 LEU H H 8.40 0.1 1 106 . 26 LEU HA H 3.62 0.1 1 107 . 26 LEU HB2 H 1.50 0.1 2 108 . 26 LEU HB3 H 1.76 0.1 2 109 . 26 LEU HD1 H 0.78 0.1 2 110 . 27 VAL H H 8.40 0.1 1 111 . 27 VAL HA H 3.74 0.1 1 112 . 27 VAL HB H 2.17 0.1 1 113 . 27 VAL HG1 H 0.92 0.1 2 114 . 27 VAL HG2 H 1.03 0.1 2 115 . 28 LYS H H 8.03 0.1 1 116 . 28 LYS HA H 4.18 0.1 1 117 . 28 LYS HB2 H 1.90 0.1 2 118 . 28 LYS HG2 H 1.45 0.1 4 119 . 28 LYS HG3 H 1.50 0.1 4 120 . 28 LYS HD2 H 1.66 0.1 4 121 . 28 LYS HE2 H 2.93 0.1 2 122 . 28 LYS HZ H 7.50 0.1 1 123 . 29 GLY H H 7.98 0.1 1 124 . 29 GLY HA2 H 3.69 0.1 2 125 . 29 GLY HA3 H 3.87 0.1 1 126 . 30 ARG H H 7.71 0.1 1 127 . 30 ARG HA H 4.12 0.1 1 128 . 30 ARG HB2 H 1.72 0.1 2 129 . 30 ARG HB3 H 1.77 0.1 2 130 . 30 ARG HG2 H 1.55 0.1 4 131 . 30 ARG HD2 H 3.07 0.1 2 132 . 30 ARG HH11 H 7.13 0.1 4 stop_ save_ save_chemical_shift_assignment_sample8 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_8 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.37 0.1 1 2 . 1 HIS HB2 H 3.46 0.1 1 3 . 1 HIS HD1 H 8.70 0.1 1 4 . 1 HIS HE1 H 7.50 0.1 2 5 . 2 ALA H H 8.82 0.1 1 6 . 2 ALA HA H 4.47 0.1 1 7 . 2 ALA HB H 1.48 0.1 1 8 . 3 GLU H H 8.53 0.1 1 9 . 3 GLU HA H 4.56 0.1 1 10 . 3 GLU HB2 H 2.06 0.1 2 11 . 3 GLU HB3 H 2.23 0.1 2 12 . 3 GLU HG2 H 2.57 0.1 2 13 . 4 GLY H H 8.38 0.1 1 14 . 4 GLY HA2 H 4.08 0.1 2 15 . 5 THR H H 7.98 0.1 1 16 . 5 THR HA H 4.40 0.1 1 17 . 5 THR HB H 4.31 0.1 1 18 . 5 THR HG2 H 1.24 0.1 1 19 . 6 PHE H H 8.38 0.1 1 20 . 6 PHE HA H 4.60 0.1 1 21 . 6 PHE HB2 H 3.21 0.1 2 22 . 6 PHE HB3 H 3.20 0.1 2 23 . 6 PHE HD1 H 7.27 0.1 3 24 . 7 THR H H 7.94 0.1 1 25 . 7 THR HA H 4.09 0.1 1 26 . 7 THR HB H 4.26 0.1 1 27 . 7 THR HG2 H 1.29 0.1 1 28 . 8 SER H H 8.08 0.1 1 29 . 8 SER HA H 4.38 0.1 1 30 . 8 SER HB2 H 3.97 0.1 2 31 . 8 SER HB3 H 4.04 0.1 2 32 . 9 ASP H H 8.36 0.1 1 33 . 9 ASP HA H 4.64 0.1 1 34 . 9 ASP HB2 H 2.92 0.1 2 35 . 9 ASP HB3 H 3.06 0.1 2 36 . 10 VAL H H 8.11 0.1 1 37 . 10 VAL HA H 3.82 0.1 1 38 . 10 VAL HB H 2.03 0.1 1 39 . 10 VAL HG1 H 0.88 0.1 2 40 . 10 VAL HG2 H 0.97 0.1 2 41 . 11 SER H H 8.15 0.1 1 42 . 11 SER HA H 4.20 0.1 1 43 . 11 SER HB2 H 4.00 0.1 2 44 . 11 SER HB3 H 4.04 0.1 2 45 . 12 SER H H 7.99 0.1 1 46 . 12 SER HA H 4.31 0.1 1 47 . 12 SER HB2 H 4.00 0.1 2 48 . 12 SER HB3 H 4.08 0.1 2 49 . 13 TYR H H 8.02 0.1 1 50 . 13 TYR HA H 4.34 0.1 1 51 . 13 TYR HB2 H 3.24 0.1 2 52 . 13 TYR HB3 H 3.28 0.1 1 53 . 13 TYR HD1 H 7.12 0.1 3 54 . 13 TYR HE1 H 6.82 0.1 3 55 . 14 LEU H H 8.56 0.1 1 56 . 14 LEU HA H 3.96 0.1 1 57 . 14 LEU HB2 H 1.99 0.1 2 58 . 14 LEU HB3 H 1.56 0.1 2 59 . 14 LEU HG H 0.95 0.1 1 60 . 14 LEU HD1 H 0.79 0.1 2 61 . 14 LEU HD2 H 0.81 0.1 2 62 . 15 GLU H H 8.45 0.1 1 63 . 15 GLU HA H 4.08 0.1 1 64 . 15 GLU HB2 H 2.25 0.1 2 65 . 15 GLU HB3 H 2.18 0.1 2 66 . 15 GLU HG2 H 2.48 0.1 2 67 . 15 GLU HG3 H 2.69 0.1 2 68 . 16 GLY H H 8.05 0.1 1 69 . 16 GLY HA2 H 3.93 0.1 2 70 . 17 GLN H H 7.97 0.1 1 71 . 17 GLN HA H 4.09 0.1 1 72 . 17 GLN HB2 H 2.10 0.1 2 73 . 17 GLN HG2 H 2.16 0.1 2 74 . 18 ALA H H 8.22 0.1 1 75 . 18 ALA HA H 4.11 0.1 1 76 . 18 ALA HB H 1.52 0.1 1 77 . 19 ALA H H 8.13 0.1 1 78 . 19 ALA HA H 4.21 0.1 1 79 . 19 ALA HB H 1.59 0.1 1 80 . 20 LYS H H 7.80 0.1 1 81 . 20 LYS HA H 4.02 0.1 1 82 . 20 LYS HB2 H 1.98 0.1 2 83 . 20 LYS HG2 H 1.47 0.1 4 84 . 20 LYS HG3 H 1.55 0.1 4 85 . 20 LYS HD2 H 1.74 0.1 4 86 . 20 LYS HE2 H 2.99 0.1 2 87 . 20 LYS HZ H 7.60 0.1 1 88 . 21 GLU H H 8.01 0.1 1 89 . 21 GLU HA H 4.13 0.1 1 90 . 21 GLU HB2 H 2.28 0.1 2 91 . 21 GLU HB3 H 2.20 0.1 1 92 . 21 GLU HG2 H 2.50 0.1 2 93 . 21 GLU HG3 H 2.65 0.1 2 94 . 22 PHE H H 8.28 0.1 1 95 . 22 PHE HA H 4.46 0.1 1 96 . 22 PHE HB2 H 3.36 0.1 2 97 . 22 PHE HB3 H 3.30 0.1 2 98 . 22 PHE HD1 H 7.24 0.1 3 99 . 22 PHE HE1 H 7.32 0.1 3 100 . 22 PHE HZ H 7.07 0.1 1 101 . 23 ILE H H 8.50 0.1 1 102 . 23 ILE HA H 3.68 0.1 1 103 . 23 ILE HB H 2.02 0.1 1 104 . 23 ILE HG12 H 1.39 0.1 2 105 . 23 ILE HG13 H 1.21 0.1 2 106 . 23 ILE HG2 H 0.96 0.1 1 107 . 23 ILE HD1 H 0.92 0.1 1 108 . 24 ALA H H 7.99 0.1 1 109 . 24 ALA HA H 4.02 0.1 1 110 . 24 ALA HB H 1.55 0.1 1 111 . 25 TRP H H 8.07 0.1 1 112 . 25 TRP HA H 4.22 0.1 1 113 . 25 TRP HB2 H 3.36 0.1 2 114 . 25 TRP HB3 H 3.62 0.1 2 115 . 25 TRP HD1 H 7.19 0.1 1 116 . 25 TRP HE1 H 9.76 0.1 2 117 . 25 TRP HE3 H 7.43 0.1 3 118 . 25 TRP HZ2 H 7.46 0.1 3 119 . 26 LEU H H 8.42 0.1 1 120 . 26 LEU HA H 3.64 0.1 1 121 . 26 LEU HB2 H 1.51 0.1 2 122 . 26 LEU HB3 H 1.79 0.1 2 123 . 26 LEU HD1 H 0.79 0.1 2 124 . 26 LEU HD2 H 0.81 0.1 2 125 . 27 VAL H H 8.42 0.1 1 126 . 27 VAL HA H 3.75 0.1 1 127 . 27 VAL HB H 2.18 0.1 1 128 . 27 VAL HG1 H 0.94 0.1 2 129 . 27 VAL HG2 H 1.05 0.1 2 130 . 28 LYS H H 8.06 0.1 1 131 . 28 LYS HA H 4.17 0.1 1 132 . 28 LYS HB2 H 1.91 0.1 2 133 . 28 LYS HB3 H 2.01 0.1 1 134 . 28 LYS HG2 H 1.45 0.1 4 135 . 28 LYS HG3 H 1.53 0.1 4 136 . 28 LYS HD2 H 1.67 0.1 4 137 . 28 LYS HE2 H 2.94 0.1 2 138 . 28 LYS HZ H 7.51 0.1 1 139 . 29 GLY H H 8.00 0.1 1 140 . 29 GLY HA2 H 3.88 0.1 2 141 . 29 GLY HA3 H 3.71 0.1 1 142 . 30 ARG H H 7.72 0.1 1 143 . 30 ARG HA H 4.14 0.1 1 144 . 30 ARG HB2 H 1.74 0.1 2 145 . 30 ARG HB3 H 1.79 0.1 2 146 . 30 ARG HG2 H 1.58 0.1 4 147 . 30 ARG HD2 H 3.08 0.1 2 148 . 30 ARG HH11 H 7.21 0.1 4 149 . 30 ARG HH21 H 6.77 0.1 4 stop_ save_ save_chemical_shift_assignment_sample9 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_9 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GLP-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.37 0.1 1 2 . 1 HIS HB2 H 3.46 0.1 2 3 . 1 HIS HD1 H 8.70 0.1 1 4 . 1 HIS HE1 H 7.49 0.1 2 5 . 2 ALA H H 8.81 0.1 1 6 . 2 ALA HA H 4.46 0.1 1 7 . 2 ALA HB H 1.48 0.1 1 8 . 3 GLU H H 8.55 0.1 1 9 . 3 GLU HA H 4.55 0.1 1 10 . 3 GLU HB2 H 2.06 0.1 2 11 . 3 GLU HB3 H 2.21 0.1 2 12 . 3 GLU HG2 H 2.55 0.1 2 13 . 4 GLY H H 8.39 0.1 1 14 . 4 GLY HA2 H 4.07 0.1 2 15 . 4 GLY HA3 H 4.00 0.1 2 16 . 5 THR H H 7.96 0.1 1 17 . 5 THR HA H 4.39 0.1 1 18 . 5 THR HB H 4.29 0.1 1 19 . 5 THR HG2 H 1.23 0.1 1 20 . 6 PHE H H 8.36 0.1 1 21 . 6 PHE HA H 4.60 0.1 1 22 . 6 PHE HB2 H 3.21 0.1 2 23 . 6 PHE HB3 H 3.03 0.1 2 24 . 7 THR H H 7.94 0.1 1 25 . 7 THR HA H 4.10 0.1 1 26 . 7 THR HB H 4.26 0.1 1 27 . 7 THR HG2 H 1.28 0.1 1 28 . 8 SER H H 8.09 0.1 1 29 . 8 SER HA H 4.39 0.1 1 30 . 8 SER HB2 H 3.96 0.1 2 31 . 8 SER HB3 H 4.03 0.1 2 32 . 9 ASP H H 8.36 0.1 1 33 . 9 ASP HA H 4.64 0.1 1 34 . 9 ASP HB2 H 2.90 0.1 2 35 . 9 ASP HB3 H 3.03 0.1 2 36 . 10 VAL H H 8.11 0.1 1 37 . 10 VAL HA H 3.83 0.1 1 38 . 10 VAL HB H 2.05 0.1 1 39 . 10 VAL HG1 H 0.88 0.1 2 40 . 10 VAL HG2 H 0.96 0.1 2 41 . 11 SER H H 8.15 0.1 1 42 . 11 SER HA H 4.20 0.1 1 43 . 11 SER HB2 H 3.99 0.1 2 44 . 11 SER HB3 H 4.00 0.1 2 45 . 12 SER H H 8.00 0.1 1 46 . 12 SER HA H 4.31 0.1 1 47 . 12 SER HB2 H 4.00 0.1 2 48 . 12 SER HB3 H 4.06 0.1 2 49 . 13 TYR H H 8.01 0.1 1 50 . 13 TYR HA H 4.34 0.1 1 51 . 13 TYR HB2 H 3.25 0.1 2 52 . 13 TYR HD1 H 7.11 0.1 3 53 . 13 TYR HE1 H 6.81 0.1 3 54 . 14 LEU H H 8.54 0.1 1 55 . 14 LEU HA H 3.97 0.1 1 56 . 14 LEU HB2 H 2.00 0.1 2 57 . 14 LEU HB3 H 1.54 0.1 2 58 . 14 LEU HG H 0.94 0.1 1 59 . 15 GLU H H 8.44 0.1 1 60 . 15 GLU HA H 4.07 0.1 1 61 . 15 GLU HB2 H 2.25 0.1 2 62 . 15 GLU HB3 H 2.16 0.1 2 63 . 15 GLU HG2 H 2.48 0.1 2 64 . 15 GLU HG3 H 2.68 0.1 2 65 . 16 GLY H H 8.04 0.1 1 66 . 16 GLY HA2 H 3.93 0.1 2 67 . 17 GLN H H 7.96 0.1 1 68 . 17 GLN HA H 4.08 0.1 1 69 . 17 GLN HB2 H 2.10 0.1 2 70 . 17 GLN HG2 H 2.16 0.1 2 71 . 18 ALA H H 8.22 0.1 1 72 . 18 ALA HA H 4.11 0.1 1 73 . 18 ALA HB H 1.52 0.1 1 74 . 19 ALA H H 8.12 0.1 1 75 . 19 ALA HA H 4.21 0.1 1 76 . 19 ALA HB H 1.58 0.1 1 77 . 20 LYS H H 7.80 0.1 1 78 . 20 LYS HA H 4.01 0.1 1 79 . 20 LYS HB2 H 1.98 0.1 2 80 . 20 LYS HG2 H 1.46 0.1 4 81 . 20 LYS HD2 H 1.74 0.1 4 82 . 20 LYS HE2 H 2.98 0.1 2 83 . 20 LYS HZ H 7.62 0.1 1 84 . 21 GLU H H 8.01 0.1 1 85 . 21 GLU HA H 4.12 0.1 1 86 . 21 GLU HB2 H 2.26 0.1 2 87 . 21 GLU HB3 H 2.19 0.1 1 88 . 21 GLU HG2 H 2.50 0.1 2 89 . 21 GLU HG3 H 2.65 0.1 2 90 . 22 PHE H H 8.28 0.1 1 91 . 22 PHE HA H 4.45 0.1 1 92 . 22 PHE HB2 H 3.35 0.1 2 93 . 22 PHE HB3 H 3.30 0.1 2 94 . 23 ILE H H 8.49 0.1 1 95 . 23 ILE HA H 3.68 0.1 1 96 . 23 ILE HB H 2.01 0.1 1 97 . 23 ILE HG12 H 1.38 0.1 2 98 . 23 ILE HG2 H 0.96 0.1 1 99 . 23 ILE HD1 H 0.91 0.1 1 100 . 24 ALA H H 7.98 0.1 1 101 . 24 ALA HA H 4.03 0.1 1 102 . 24 ALA HB H 1.53 0.1 1 103 . 25 TRP H H 8.07 0.1 1 104 . 25 TRP HA H 4.22 0.1 1 105 . 25 TRP HB2 H 3.36 0.1 2 106 . 25 TRP HB3 H 3.62 0.1 2 107 . 25 TRP HD1 H 7.18 0.1 1 108 . 25 TRP HE1 H 9.77 0.1 2 109 . 26 LEU H H 8.42 0.1 1 110 . 26 LEU HA H 3.63 0.1 1 111 . 26 LEU HB2 H 1.51 0.1 2 112 . 26 LEU HB3 H 1.78 0.1 2 113 . 26 LEU HD1 H 0.78 0.1 2 114 . 26 LEU HD2 H 0.81 0.1 2 115 . 27 VAL H H 8.42 0.1 1 116 . 27 VAL HA H 3.75 0.1 1 117 . 27 VAL HB H 2.18 0.1 1 118 . 27 VAL HG1 H 0.93 0.1 2 119 . 27 VAL HG2 H 1.04 0.1 2 120 . 28 LYS H H 8.06 0.1 1 121 . 28 LYS HA H 4.19 0.1 1 122 . 28 LYS HB2 H 1.90 0.1 2 123 . 28 LYS HG2 H 1.45 0.1 4 124 . 28 LYS HG3 H 1.52 0.1 4 125 . 28 LYS HD2 H 1.67 0.1 4 126 . 28 LYS HE2 H 2.94 0.1 2 127 . 28 LYS HZ H 7.53 0.1 1 128 . 29 GLY H H 8.00 0.1 1 129 . 29 GLY HA2 H 3.88 0.1 2 130 . 29 GLY HA3 H 3.70 0.1 1 131 . 30 ARG H H 7.72 0.1 1 132 . 30 ARG HA H 4.13 0.1 1 133 . 30 ARG HB2 H 1.72 0.1 2 134 . 30 ARG HB3 H 1.79 0.1 2 135 . 30 ARG HG2 H 1.56 0.1 4 136 . 30 ARG HD2 H 3.07 0.1 2 137 . 30 ARG HH11 H 7.13 0.1 4 stop_ save_