data_27926 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RTNLB13_APH_16 ; _BMRB_accession_number 27926 _BMRB_flat_file_name bmr27926.str _Entry_type original _Submission_date 2019-05-28 _Accession_date 2019-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; 1 mM 16-aa peptide corresponding to Glu160 to Lys175 of RTNLB13 from Arabidopsis thaliana. In the presence of 50 mM Sodium Phosphate buffer pH 7.0. 310 K. TOCSY and NOESY. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dixon Ann M. . 2 Brooks Rhiannon L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27927 'Polypeptide chain (RTNLB13 18-mer)' 27928 'Polypeptide chain (R13-APH22 22-mer)' stop_ _Original_release_date 2019-05-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Revealing the mechanism of protein-lipid interactions for a putative membrane curvature sensor in plant endoplasmic reticulum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31874147 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brooks Rhiannon L. . 2 Dixon Ann M. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta Biomembr.' _Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Journal_volume 1862 _Journal_issue 3 _Journal_ISSN 1879-2642 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183160 _Page_last 183160 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label R13-APH16 $RTNLB13 stop_ _System_molecular_weight . _System_physical_state 'partially disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RTNLB13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RTNLB13 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 16 _Mol_residue_sequence ; EYGDQIQKHLGSLKDK ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 TYR 3 GLY 4 ASP 5 GLN 6 ILE 7 GLN 8 LYS 9 HIS 10 LEU 11 GLY 12 SER 13 LEU 14 LYS 15 ASP 16 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $RTNLB13 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana RTNLB13 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 $RTNLB13 'chemical synthesis' . . . . . 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 $RTNLB13 1 mM 'natural abundance' DPC-d38 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr_Analysis _Saveframe_category software _Name CCPNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker BioSpin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 _Indirect_shift_ratio water H 1 protons ppm 4.72 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name R13-APH16 _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 1 GLU H H 8.095 0.004 1 2 1 1 GLU HA H 4.159 0.002 1 3 1 1 GLU HB2 H 1.641 . 1 4 1 1 GLU HB3 H 8.095 0.004 1 5 1 1 GLU HG2 H 2.952 . 2 6 1 1 GLU HG3 H 2.604 . 2 7 2 2 TYR H H 7.829 0.005 1 8 2 2 TYR HA H 4.634 . 1 9 2 2 TYR HB2 H 3.131 . 1 10 2 2 TYR HD1 H 7.190 0.004 1 11 2 2 TYR HD2 H 7.190 0.004 1 12 2 2 TYR HE1 H 6.881 0.003 1 13 2 2 TYR HE2 H 6.881 0.003 1 14 3 3 GLY H H 8.330 0.026 1 15 3 3 GLY HA2 H 3.826 0.019 1 16 4 4 ASP H H 8.127 0.003 1 17 4 4 ASP HA H 4.537 . 1 18 4 4 ASP HB2 H 2.732 . 1 19 5 5 GLN H H 8.261 0.017 1 20 5 5 GLN HA H 4.263 0.004 1 21 5 5 GLN HB2 H 2.195 0.015 2 22 5 5 GLN HB3 H 2.160 . 2 23 5 5 GLN HG2 H 2.504 . 1 24 5 5 GLN HE21 H 6.846 0.002 1 25 5 5 GLN HE22 H 7.566 0.001 1 26 6 6 ILE H H 8.149 0.013 1 27 6 6 ILE HA H 3.986 0.007 1 28 6 6 ILE HB H 1.995 . 1 29 6 6 ILE HG12 H 1.679 . 2 30 6 6 ILE HG13 H 1.203 . 2 31 6 6 ILE HG2 H 0.949 . 1 32 7 7 GLN H H 8.286 0.013 1 33 7 7 GLN HA H 4.141 . 1 34 7 7 GLN HB2 H 2.128 . 1 35 7 7 GLN HG2 H 2.472 0.003 2 36 7 7 GLN HG3 H 2.373 . 2 37 7 7 GLN HE21 H 6.843 0.002 1 38 7 7 GLN HE22 H 7.461 0.002 1 39 8 8 LYS H H 7.759 0.004 1 40 8 8 LYS HA H 4.181 0.003 1 41 8 8 LYS HB2 H 1.862 . 2 42 8 8 LYS HB3 H 1.730 . 2 43 8 8 LYS HG2 H 1.424 . 1 44 8 8 LYS HE2 H 3.041 . 1 45 9 9 HIS H H 7.981 0.014 1 46 9 9 HIS HA H 4.473 0.001 1 47 9 9 HIS HB2 H 3.112 . 1 48 9 9 HIS HD1 H 7.001 0.003 1 49 9 9 HIS HE1 H 7.828 0.002 1 50 10 10 LEU H H 8.050 0.005 1 51 10 10 LEU HA H 4.362 0.005 1 52 10 10 LEU HB2 H 1.904 . 1 53 10 10 LEU HG H 1.750 0.018 1 54 10 10 LEU HD1 H 0.929 . 1 55 11 11 GLY H H 8.174 0.016 1 56 11 11 GLY HA2 H 4.008 . 1 57 12 12 SER H H 7.758 0.003 1 58 12 12 SER HA H 4.369 . 1 59 12 12 SER HB2 H 4.031 . 1 60 13 13 LEU H H 8.215 0.002 1 61 13 13 LEU HA H 4.318 0.001 1 62 13 13 LEU HB2 H 1.770 . 1 63 13 13 LEU HG H 1.637 . 1 64 13 13 LEU HD1 H 0.918 . 1 65 14 14 LYS H H 8.006 0.019 1 66 14 14 LYS HA H 4.372 0.003 1 67 14 14 LYS HB2 H 1.901 . 2 68 14 14 LYS HB3 H 1.735 . 2 69 14 14 LYS HG2 H 1.485 . 1 70 14 14 LYS HE2 H 3.039 . 1 71 15 15 ASP H H 8.246 0.006 1 72 15 15 ASP HA H 4.635 0.015 1 73 15 15 ASP HB2 H 2.754 . 2 74 15 15 ASP HB3 H 2.662 . 2 75 16 16 LYS H H 7.756 0.003 1 76 16 16 LYS HA H 4.283 . 1 77 16 16 LYS HB2 H 1.578 . 1 78 16 16 LYS HG2 H 1.323 . 1 79 16 16 LYS HE2 H 3.130 0.007 1 80 16 16 LYS HZ H 7.005 . 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 27926 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 1 >> 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27926 1 >> 2 1.0 . . 27926 1 >> 3 1.0 . . 27926 1 >> 4 1.0 . . 27926 1 >> 5 1.0 . . 27926 1 >> 6 1.0 . . 27926 1 >> 7 1.0 . . 27926 1 >> 8 1.0 . . 27926 1 >> 9 1.0 . . 27926 1 >> 10 1.0 . . 27926 1 >> 11 1.0 . . 27926 1 >> 12 1.0 . . 27926 1 >> 13 1.0 . . 27926 1 >> 14 1.0 . . 27926 1 >> 15 1.0 . . 27926 1 >> 16 1.0 . . 27926 1 >> 17 1.0 . . 27926 1 >> 18 1.0 . . 27926 1 >> 19 1.0 . . 27926 1 >> 20 1.0 . . 27926 1 >> 21 1.0 . . 27926 1 >> 22 1.0 . . 27926 1 >> 23 1.0 . . 27926 1 >> 24 1.0 . . 27926 1 >> 25 1.0 . . 27926 1 >> 26 1.0 . . 27926 1 >> 27 1.0 . . 27926 1 >> 28 1.0 . . 27926 1 >> 29 1.0 . . 27926 1 >> 30 1.0 . . 27926 1 >> 31 1.0 . . 27926 1 >> 32 1.0 . . 27926 1 >> 33 1.0 . . 27926 1 >> 34 1.0 . . 27926 1 >> 35 1.0 . . 27926 1 >> 36 1.0 . . 27926 1 >> 37 1.0 . . 27926 1 >> 38 1.0 . . 27926 1 >> 39 1.0 . . 27926 1 >> 40 1.0 . . 27926 1 >> 41 1.0 . . 27926 1 >> 42 1.0 . . 27926 1 >> 43 1.0 . . 27926 1 >> 44 1.0 . . 27926 1 >> 45 1.0 . . 27926 1 >> 46 1.0 . . 27926 1 >> 47 1.0 . . 27926 1 >> 48 1.0 . . 27926 1 >> 49 1.0 . . 27926 1 >> 50 1.0 . . 27926 1 >> 51 1.0 . . 27926 1 >> 52 1.0 . . 27926 1 >> 53 1.0 . . 27926 1 >> 54 1.0 . . 27926 1 >> 55 1.0 . . 27926 1 >> 56 1.0 . . 27926 1 >> 57 1.0 . . 27926 1 >> 58 1.0 . . 27926 1 >> 59 1.0 . . 27926 1 >> 60 1.0 . . 27926 1 >> 61 1.0 . . 27926 1 >> 62 1.0 . . 27926 1 >> 63 1.0 . . 27926 1 >> 64 1.0 . . 27926 1 >> 65 1.0 . . 27926 1 >> 66 1.0 . . 27926 1 >> 67 1.0 . . 27926 1 >> 68 1.0 . . 27926 1 >> 69 1.0 . . 27926 1 >> 70 1.0 . . 27926 1 >> 71 1.0 . . 27926 1 >> 72 1.0 . . 27926 1 >> 73 1.0 . . 27926 1 >> 74 1.0 . . 27926 1 >> 75 1.0 . . 27926 1 >> 76 1.0 . . 27926 1 >> 77 1.0 . . 27926 1 >> 78 1.0 . . 27926 1 >> 79 1.0 . . 27926 1 >> 80 1.0 . . 27926 1 >> 81 1.0 . . 27926 1 >> 82 1.0 . . 27926 1 >> 83 1.0 . . 27926 1 >> 84 1.0 . . 27926 1 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 160330.0 . height 27926 1 >> 1 1213132.0 . volume 27926 1 >> 2 279613.0 . height 27926 1 >> 2 1856945.0 . volume 27926 1 >> 3 341108.0 . height 27926 1 >> 3 2207743.0 . volume 27926 1 >> 4 195703.0 . height 27926 1 >> 4 1298409.0 . volume 27926 1 >> 5 149036.0 . height 27926 1 >> 5 1059838.0 . volume 27926 1 >> 6 239580.0 . height 27926 1 >> 6 1845285.0 . volume 27926 1 >> 7 109015.0 . height 27926 1 >> 7 814249.0 . volume 27926 1 >> 8 859955.0 . height 27926 1 >> 8 5898836.0 . volume 27926 1 >> 9 753794.0 . height 27926 1 >> 9 5371814.0 . volume 27926 1 >> 10 1460571.0 . height 27926 1 >> 10 10304500.0 . volume 27926 1 >> 11 992053.0 . height 27926 1 >> 11 6077122.0 . volume 27926 1 >> 12 374348.0 . height 27926 1 >> 12 2587301.0 . volume 27926 1 >> 13 113083.0 . height 27926 1 >> 13 840448.0 . volume 27926 1 >> 14 168768.0 . height 27926 1 >> 14 1197410.0 . volume 27926 1 >> 15 1639150.0 . height 27926 1 >> 15 10803970.0 . volume 27926 1 >> 16 325523.0 . height 27926 1 >> 16 2393418.0 . volume 27926 1 >> 17 531687.0 . height 27926 1 >> 17 3862515.0 . volume 27926 1 >> 18 328113.0 . height 27926 1 >> 18 2234304.0 . volume 27926 1 >> 19 540302.0 . height 27926 1 >> 19 3442937.0 . volume 27926 1 >> 20 209735.0 . height 27926 1 >> 20 1551902.0 . volume 27926 1 >> 21 310661.0 . height 27926 1 >> 21 2584137.0 . volume 27926 1 >> 22 351579.0 . height 27926 1 >> 22 2445674.0 . volume 27926 1 >> 23 106331.0 . height 27926 1 >> 23 814883.0 . volume 27926 1 >> 24 116277.0 . height 27926 1 >> 24 813990.0 . volume 27926 1 >> 25 4991644.0 . height 27926 1 >> 25 34457640.0 . volume 27926 1 >> 26 7823048.0 . height 27926 1 >> 26 60929462.0 . volume 27926 1 >> 27 350383.0 . height 27926 1 >> 27 981870.0 . volume 27926 1 >> 28 6490403.0 . height 27926 1 >> 28 43693901.0 . volume 27926 1 >> 29 251152.0 . height 27926 1 >> 29 153860.0 . volume 27926 1 >> 30 179583.0 . height 27926 1 >> 30 278528.0 . volume 27926 1 >> 31 4341579.0 . height 27926 1 >> 31 28397891.0 . volume 27926 1 >> 32 320130.0 . height 27926 1 >> 32 427881.0 . volume 27926 1 >> 33 9105835.0 . height 27926 1 >> 33 56784584.0 . volume 27926 1 >> 34 84086.0 . height 27926 1 >> 34 116134.0 . volume 27926 1 >> 35 151788.0 . height 27926 1 >> 35 1089822.0 . volume 27926 1 >> 36 62252.0 . height 27926 1 >> 36 472029.0 . volume 27926 1 >> 37 5229047.0 . height 27926 1 >> 37 31749930.0 . volume 27926 1 >> 38 81020.0 . height 27926 1 >> 38 591199.0 . volume 27926 1 >> 39 666580.0 . height 27926 1 >> 39 4704771.0 . volume 27926 1 >> 40 47769.0 . height 27926 1 >> 40 341685.0 . volume 27926 1 >> 41 38278.0 . height 27926 1 >> 41 227895.0 . volume 27926 1 >> 42 22559.0 . height 27926 1 >> 42 176299.0 . volume 27926 1 >> 43 44994.0 . height 27926 1 >> 43 352416.0 . volume 27926 1 >> 44 127893.0 . height 27926 1 >> 44 255038.0 . volume 27926 1 >> 45 146295.0 . height 27926 1 >> 45 1017917.0 . volume 27926 1 >> 46 24527.0 . height 27926 1 >> 46 186046.0 . volume 27926 1 >> 47 -4114.0 . height 27926 1 >> 47 -121458.0 . volume 27926 1 >> 48 188847.0 . height 27926 1 >> 48 1162953.0 . volume 27926 1 >> 49 88528.0 . height 27926 1 >> 49 621145.0 . volume 27926 1 >> 50 187323.0 . height 27926 1 >> 50 1276996.0 . volume 27926 1 >> 51 387649.0 . height 27926 1 >> 51 2567764.0 . volume 27926 1 >> 52 406384.0 . height 27926 1 >> 52 2570653.0 . volume 27926 1 >> 53 376159.0 . height 27926 1 >> 53 2531121.0 . volume 27926 1 >> 54 60010.0 . height 27926 1 >> 54 428251.0 . volume 27926 1 >> 55 52365216.0 . height 27926 1 >> 55 338528215.0 . volume 27926 1 >> 56 36061.0 . height 27926 1 >> 56 246248.0 . volume 27926 1 >> 57 23173.0 . height 27926 1 >> 57 168079.0 . volume 27926 1 >> 58 23195.0 . height 27926 1 >> 58 182070.0 . volume 27926 1 >> 59 61137.0 . height 27926 1 >> 59 472979.0 . volume 27926 1 >> 60 31008.0 . height 27926 1 >> 60 242075.0 . volume 27926 1 >> 61 81289.0 . height 27926 1 >> 61 551915.0 . volume 27926 1 >> 62 12786791.0 . height 27926 1 >> 62 80700949.0 . volume 27926 1 >> 63 73183248.0 . height 27926 1 >> 63 444438998.0 . volume 27926 1 >> 64 64804568.0 . height 27926 1 >> 64 396176092.0 . volume 27926 1 >> 65 11716801.0 . height 27926 1 >> 65 74399689.0 . volume 27926 1 >> 66 9555521.0 . height 27926 1 >> 66 62047345.0 . volume 27926 1 >> 67 2204582.0 . height 27926 1 >> 67 13313327.0 . volume 27926 1 >> 68 3153148.0 . height 27926 1 >> 68 22441742.0 . volume 27926 1 >> 69 85849.0 . height 27926 1 >> 69 337792.0 . volume 27926 1 >> 70 2750838.0 . height 27926 1 >> 70 18465949.0 . volume 27926 1 >> 71 1668673.0 . height 27926 1 >> 71 11044587.0 . volume 27926 1 >> 72 957527.0 . height 27926 1 >> 72 7596075.0 . volume 27926 1 >> 73 124008.0 . height 27926 1 >> 73 1119933.0 . volume 27926 1 >> 74 98572.0 . height 27926 1 >> 74 838497.0 . volume 27926 1 >> 75 2913965.0 . height 27926 1 >> 75 17717252.0 . volume 27926 1 >> 76 1951258.0 . height 27926 1 >> 76 12532737.0 . volume 27926 1 >> 77 1380221.0 . height 27926 1 >> 77 8903555.0 . volume 27926 1 >> 78 320390.0 . height 27926 1 >> 78 7574764.0 . volume 27926 1 >> 79 5592555.0 . height 27926 1 >> 79 38403927.0 . volume 27926 1 >> 80 263154.0 . height 27926 1 >> 80 1976095.0 . volume 27926 1 >> 81 528875.0 . height 27926 1 >> 81 3867815.0 . volume 27926 1 >> 82 54085.0 . height 27926 1 >> 82 356580.0 . volume 27926 1 >> 83 2189959.0 . height 27926 1 >> 83 13864717.0 . volume 27926 1 >> 84 3855164.0 . height 27926 1 >> 84 27490595.0 . volume 27926 1 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.214 . 21.44627711350 . . . . . . . . . . . 27926 1 >> 1 2 4.319 . 57.09599046150 . . . . . . . . . . . 27926 1 >> 2 1 8.268 . 22.22391320210 . . . . . . . . . . . 27926 1 >> 2 2 4.261 . 44.43058780600 . . . . . . . . . . . 27926 1 >> 3 1 8.287 . 18.71045313630 . . . . . . . . . . . 27926 1 >> 3 2 4.141 . 43.96076295890 . . . . . . . . . . . 27926 1 >> 4 1 8.282 . 28.84484973610 . . . . . . . . . . . 27926 1 >> 4 2 2.470 . 52.63908236630 . . . . . . . . . . . 27926 1 >> 5 1 8.287 . 17.69994988160 . . . . . . . . . . . 27926 1 >> 5 2 2.373 . 116.68427317800 . . . . . . . . . . . 27926 1 >> 6 1 8.286 . 26.10274389680 . . . . . . . . . . . 27926 1 >> 6 2 2.128 . 64.18952754900 . . . . . . . . . . . 27926 1 >> 7 1 8.214 . 19.39196212620 . . . . . . . . . . . 27926 1 >> 7 2 0.918 . 60.62610476620 . . . . . . . . . . . 27926 1 >> 8 1 8.250 . 18.32930480730 . . . . . . . . . . . 27926 1 >> 8 2 2.754 . 59.06002194270 . . . . . . . . . . . 27926 1 >> 9 1 8.251 . 18.67305414350 . . . . . . . . . . . 27926 1 >> 9 2 2.662 . 116.30736145300 . . . . . . . . . . . 27926 1 >> 10 1 8.250 . 17.14802255820 . . . . . . . . . . . 27926 1 >> 10 2 4.620 . 148.28496119600 . . . . . . . . . . . 27926 1 >> 11 1 8.146 . 17.02296967600 . . . . . . . . . . . 27926 1 >> 11 2 3.983 . 40.52180869910 . . . . . . . . . . . 27926 1 >> 12 1 8.145 . 17.16058628230 . . . . . . . . . . . 27926 1 >> 12 2 1.995 . 49.49406081550 . . . . . . . . . . . 27926 1 >> 13 1 8.146 . 17.70871527050 . . . . . . . . . . . 27926 1 >> 13 2 1.679 . 56.74303746690 . . . . . . . . . . . 27926 1 >> 14 1 8.146 . 19.40890854480 . . . . . . . . . . . 27926 1 >> 14 2 1.203 . 53.25733446610 . . . . . . . . . . . 27926 1 >> 15 1 8.145 . 18.65479291650 . . . . . . . . . . . 27926 1 >> 15 2 0.949 . 46.32449617570 . . . . . . . . . . . 27926 1 >> 16 1 8.129 . 20.85139938430 . . . . . . . . . . . 27926 1 >> 16 2 2.732 . 57.24266463630 . . . . . . . . . . . 27926 1 >> 17 1 8.129 . 19.95002522190 . . . . . . . . . . . 27926 1 >> 17 2 4.537 . 53.49107817110 . . . . . . . . . . . 27926 1 >> 18 1 7.994 . 21.41559825220 . . . . . . . . . . . 27926 1 >> 18 2 3.039 . 44.87762264180 . . . . . . . . . . . 27926 1 >> 19 1 7.993 . 20.21824612340 . . . . . . . . . . . 27926 1 >> 19 2 4.369 . 41.34108038510 . . . . . . . . . . . 27926 1 >> 20 1 7.993 . 20.71115316130 . . . . . . . . . . . 27926 1 >> 20 2 1.901 . 185.16533515000 . . . . . . . . . . . 27926 1 >> 21 1 7.994 . 21.09741463380 . . . . . . . . . . . 27926 1 >> 21 2 1.735 . 105.54580127500 . . . . . . . . . . . 27926 1 >> 22 1 7.994 . 20.88616876040 . . . . . . . . . . . 27926 1 >> 22 2 1.485 . 47.72988020210 . . . . . . . . . . . 27926 1 >> 23 1 8.046 . 24.59801879580 . . . . . . . . . . . 27926 1 >> 23 2 0.929 . 68.66221334420 . . . . . . . . . . . 27926 1 >> 24 1 8.052 . 22.55042394000 . . . . . . . . . . . 27926 1 >> 24 2 4.355 . 52.54500052510 . . . . . . . . . . . 27926 1 >> 25 1 7.757 . 15.56791511240 . . . . . . . . . . . 27926 1 >> 25 2 1.862 . 48.65901142940 . . . . . . . . . . . 27926 1 >> 26 1 7.758 . 15.86272436030 . . . . . . . . . . . 27926 1 >> 26 2 1.730 . 66.61812464400 . . . . . . . . . . . 27926 1 >> 27 1 7.752 . 15.08172820600 . . . . . . . . . . . 27926 1 >> 27 2 1.578 . 18.94317421260 . . . . . . . . . . . 27926 1 >> 28 1 7.758 . 15.50129815640 . . . . . . . . . . . 27926 1 >> 28 2 1.424 . 49.82539251740 . . . . . . . . . . . 27926 1 >> 29 1 7.758 . 12.78169014870 . . . . . . . . . . . 27926 1 >> 29 2 1.323 . 18.91746240500 . . . . . . . . . . . 27926 1 >> 30 1 7.757 . 14.24521792170 . . . . . . . . . . . 27926 1 >> 30 2 3.137 . 15.70757697610 . . . . . . . . . . . 27926 1 >> 31 1 7.758 . 15.84256396570 . . . . . . . . . . . 27926 1 >> 31 2 3.041 . 45.15636201000 . . . . . . . . . . . 27926 1 >> 32 1 7.755 . 14.85353591400 . . . . . . . . . . . 27926 1 >> 32 2 4.283 . 15.06828794290 . . . . . . . . . . . 27926 1 >> 33 1 7.757 . 15.05806165580 . . . . . . . . . . . 27926 1 >> 33 2 4.178 . 40.79412011540 . . . . . . . . . . . 27926 1 >> 34 1 7.758 . 14.75039650410 . . . . . . . . . . . 27926 1 >> 34 2 4.031 . 20.12650171920 . . . . . . . . . . . 27926 1 >> 35 1 7.829 . 10.95147693860 . . . . . . . . . . . 27926 1 >> 35 2 3.131 . 54.21509929730 . . . . . . . . . . . 27926 1 >> 36 1 8.200 . 15.63657732570 . . . . . . . . . . . 27926 1 >> 36 2 4.008 . 60.29944793850 . . . . . . . . . . . 27926 1 >> 37 1 4.184 . 15.56265587900 . . . . . . . . . . . 27926 1 >> 37 2 7.754 . 40.14781877110 . . . . . . . . . . . 27926 1 >> 38 1 4.372 . 16.80734110810 . . . . . . . . . . . 27926 1 >> 38 2 7.985 . 57.32944198680 . . . . . . . . . . . 27926 1 >> 39 1 3.989 . 17.45948604510 . . . . . . . . . . . 27926 1 >> 39 2 8.144 . 50.86525982500 . . . . . . . . . . . 27926 1 >> 40 1 8.093 . 17.94275115520 . . . . . . . . . . . 27926 1 >> 40 2 4.157 . 52.45909971350 . . . . . . . . . . . 27926 1 >> 41 1 8.096 . 24.18370807870 . . . . . . . . . . . 27926 1 >> 41 2 2.952 . 39.28472014030 . . . . . . . . . . . 27926 1 >> 42 1 8.096 . 17.08637265600 . . . . . . . . . . . 27926 1 >> 42 2 2.604 . 152.20279787100 . . . . . . . . . . . 27926 1 >> 43 1 8.090 . 15.22197442900 . . . . . . . . . . . 27926 1 >> 43 2 1.641 . 66.73967137060 . . . . . . . . . . . 27926 1 >> 44 1 7.989 . 16.41494386340 . . . . . . . . . . . 27926 1 >> 44 2 4.474 . 16.54496379930 . . . . . . . . . . . 27926 1 >> 45 1 4.263 . 16.50464301020 . . . . . . . . . . . 27926 1 >> 45 2 8.260 . 48.24791468830 . . . . . . . . . . . 27926 1 >> 46 1 8.314 . 10.15689443140 . . . . . . . . . . . 27926 1 >> 46 2 3.827 . 66.14771543760 . . . . . . . . . . . 27926 1 >> 47 1 7.757 . 22.93522451440 . . . . . . . . . . . 27926 1 >> 47 2 4.369 . 43.69780129080 . . . . . . . . . . . 27926 1 >> 48 1 7.822 . 9.47363236371 . . . . . . . . . . . 27926 1 >> 48 2 4.634 . 42.80256290060 . . . . . . . . . . . 27926 1 >> 49 1 8.020 . 43.75652939670 . . . . . . . . . . . 27926 1 >> 49 2 8.009 . 50.94327178660 . . . . . . . . . . . 27926 1 >> 50 1 7.979 . 16.47630158590 . . . . . . . . . . . 27926 1 >> 50 2 7.974 . 48.20028940840 . . . . . . . . . . . 27926 1 >> 51 1 8.147 . 29.14258078030 . . . . . . . . . . . 27926 1 >> 51 2 8.138 . 46.62164286070 . . . . . . . . . . . 27926 1 >> 52 1 8.174 . 32.40798033920 . . . . . . . . . . . 27926 1 >> 52 2 8.170 . 41.91813515680 . . . . . . . . . . . 27926 1 >> 53 1 8.244 . 20.43635821810 . . . . . . . . . . . 27926 1 >> 53 2 8.243 . 48.87843833250 . . . . . . . . . . . 27926 1 >> 54 1 8.284 . 56.80088903390 . . . . . . . . . . . 27926 1 >> 54 2 8.275 . 52.80430994780 . . . . . . . . . . . 27926 1 >> 55 1 7.830 . 10.99004464990 . . . . . . . . . . . 27926 1 >> 55 2 7.824 . 43.37698805570 . . . . . . . . . . . 27926 1 >> 56 1 8.102 . 21.15643491930 . . . . . . . . . . . 27926 1 >> 56 2 8.091 . 46.24502331600 . . . . . . . . . . . 27926 1 >> 57 1 8.049 . 40.52385395650 . . . . . . . . . . . 27926 1 >> 57 2 8.045 . 52.62827172000 . . . . . . . . . . . 27926 1 >> 58 1 8.326 . 16.35358614080 . . . . . . . . . . . 27926 1 >> 58 2 8.294 . 84.91251398540 . . . . . . . . . . . 27926 1 >> 59 1 8.268 . 56.46400591910 . . . . . . . . . . . 27926 1 >> 59 2 8.266 . 58.13395860150 . . . . . . . . . . . 27926 1 >> 60 1 8.218 . 42.98502908030 . . . . . . . . . . . 27926 1 >> 60 2 8.214 . 66.00907620260 . . . . . . . . . . . 27926 1 >> 61 1 8.124 . 36.96013899410 . . . . . . . . . . . 27926 1 >> 61 2 8.124 . 46.99943112390 . . . . . . . . . . . 27926 1 >> 62 1 7.758 . 15.83701255270 . . . . . . . . . . . 27926 1 >> 62 2 7.753 . 42.36984486670 . . . . . . . . . . . 27926 1 >> 63 1 6.884 . 13.00959026110 . . . . . . . . . . . 27926 1 >> 63 2 7.187 . 39.97747804600 . . . . . . . . . . . 27926 1 >> 64 1 7.194 . 13.27897988110 . . . . . . . . . . . 27926 1 >> 64 2 6.879 . 40.24599112720 . . . . . . . . . . . 27926 1 >> 65 1 7.830 . 11.36432675750 . . . . . . . . . . . 27926 1 >> 65 2 6.998 . 42.39321923720 . . . . . . . . . . . 27926 1 >> 66 1 7.004 . 11.70471602800 . . . . . . . . . . . 27926 1 >> 66 2 7.826 . 44.86856507320 . . . . . . . . . . . 27926 1 >> 67 1 6.849 . 14.33141091290 . . . . . . . . . . . 27926 1 >> 67 2 7.565 . 41.87606128990 . . . . . . . . . . . 27926 1 >> 68 1 6.846 . 13.96472547570 . . . . . . . . . . . 27926 1 >> 68 2 7.458 . 53.42095505960 . . . . . . . . . . . 27926 1 >> 70 1 7.463 . 14.82431795080 . . . . . . . . . . . 27926 1 >> 70 2 6.841 . 45.61683710880 . . . . . . . . . . . 27926 1 >> 71 1 7.568 . 15.17610222690 . . . . . . . . . . . 27926 1 >> 71 2 6.844 . 45.07104555770 . . . . . . . . . . . 27926 1 >> 72 1 7.005 . 11.31465622020 . . . . . . . . . . . 27926 1 >> 72 2 3.123 . 73.97520775890 . . . . . . . . . . . 27926 1 >> 73 1 8.268 . 31.01676702500 . . . . . . . . . . . 27926 1 >> 73 2 2.179 . 99.61397040120 . . . . . . . . . . . 27926 1 >> 74 1 8.267 . 26.23057248550 . . . . . . . . . . . 27926 1 >> 74 2 2.504 . 87.61590602350 . . . . . . . . . . . 27926 1 >> 75 1 2.475 . 21.27885818480 . . . . . . . . . . . 27926 1 >> 75 2 4.261 . 39.83051169150 . . . . . . . . . . . 27926 1 >> 76 1 2.210 . 24.83176250080 . . . . . . . . . . . 27926 1 >> 76 2 4.261 . 42.94923707550 . . . . . . . . . . . 27926 1 >> 77 1 2.160 . 26.69879034450 . . . . . . . . . . . 27926 1 >> 77 2 4.259 . 45.11954737640 . . . . . . . . . . . 27926 1 >> 78 1 3.112 . 16.82078137120 . . . . . . . . . . . 27926 1 >> 78 2 4.472 . 146.37615166500 . . . . . . . . . . . 27926 1 >> 80 1 4.316 . 42.19424490840 . . . . . . . . . . . 27926 1 >> 80 2 1.637 . 57.92227445860 . . . . . . . . . . . 27926 1 >> 81 1 4.319 . 55.49309300440 . . . . . . . . . . . 27926 1 >> 81 2 1.770 . 59.15293506550 . . . . . . . . . . . 27926 1 >> 82 1 8.046 . 44.39523407060 . . . . . . . . . . . 27926 1 >> 82 2 1.768 . 46.30287488300 . . . . . . . . . . . 27926 1 >> 83 1 1.904 . 24.13462190070 . . . . . . . . . . . 27926 1 >> 83 2 4.368 . 42.12529051540 . . . . . . . . . . . 27926 1 >> 84 1 1.733 . 48.04894035940 . . . . . . . . . . . 27926 1 >> 84 2 4.362 . 54.22795520110 . . . . . . . . . . . 27926 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.214 . . 1 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 >> 1 2 1 . . 4.319 . . 1 1 1 13 LEU HA . . . . . . . . . . 7 . 27926 1 >> 2 1 1 . . 8.268 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 >> 2 2 1 . . 4.261 . . 1 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 >> 3 1 1 . . 8.287 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 >> 3 2 1 . . 4.141 . . 1 1 1 7 GLN HA . . . . . . . . . . 2 . 27926 1 >> 4 1 1 . . 8.282 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 >> 4 2 1 . . 2.470 . . 1 1 1 7 GLN HG2 . . . . . . . . . . 3 . 27926 1 >> 5 1 1 . . 8.287 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 >> 5 2 1 . . 2.373 . . 1 1 1 7 GLN HG3 . . . . . . . . . . 5 . 27926 1 >> 6 1 1 . . 8.286 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 >> 6 2 1 . . 2.128 . . 1 1 1 7 GLN HB2 . . . . . . . . . . 4 . 27926 1 >> 7 1 1 . . 8.214 . . 1 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 >> 7 2 2 . . 0.918 . . 1 1 1 13 LEU MD1 . . . . . . . . . . 20 . 27926 1 >> 8 1 1 . . 8.250 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 >> 8 2 1 . . 2.754 . . 1 1 1 15 ASP HB2 . . . . . . . . . . 12 . 27926 1 >> 9 1 1 . . 8.251 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 >> 9 2 1 . . 2.662 . . 1 1 1 15 ASP HB3 . . . . . . . . . . 13 . 27926 1 >> 10 1 1 . . 8.250 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 >> 10 2 1 . . 4.620 . . 1 1 1 15 ASP HA . . . . . . . . . . 11 . 27926 1 >> 11 1 1 . . 8.146 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 11 2 1 . . 3.983 . . 1 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 1 >> 12 1 1 . . 8.145 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 12 2 1 . . 1.995 . . 1 1 1 6 ILE HB . . . . . . . . . . 16 . 27926 1 >> 13 1 1 . . 8.146 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 13 2 1 . . 1.679 . . 1 1 1 6 ILE HG12 . . . . . . . . . . 17 . 27926 1 >> 14 1 1 . . 8.146 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 14 2 1 . . 1.203 . . 1 1 1 6 ILE HG13 . . . . . . . . . . 18 . 27926 1 >> 15 1 1 . . 8.145 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 15 2 2 . . 0.949 . . 1 1 1 6 ILE MG . . . . . . . . . . 19 . 27926 1 >> 16 1 1 . . 8.129 . . 1 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 >> 16 2 2 . . 2.732 . . 1 1 1 4 ASP HB2 . . . . . . . . . . 23 . 27926 1 >> 17 1 1 . . 8.129 . . 1 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 >> 17 2 1 . . 4.537 . . 1 1 1 4 ASP HA . . . . . . . . . . 22 . 27926 1 >> 18 1 1 . . 7.994 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 18 2 1 . . 3.039 . . 1 1 1 14 LYS HE2 . . . . . . . . . . 26 . 27926 1 >> 19 1 1 . . 7.993 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 19 2 1 . . 4.369 . . 1 1 1 14 LYS HA . . . . . . . . . . 25 . 27926 1 >> 20 1 1 . . 7.993 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 20 2 1 . . 1.901 . . 1 1 1 14 LYS HB2 . . . . . . . . . . 27 . 27926 1 >> 21 1 1 . . 7.994 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 21 2 1 . . 1.735 . . 1 1 1 14 LYS HB3 . . . . . . . . . . 28 . 27926 1 >> 22 1 1 . . 7.994 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 22 2 1 . . 1.485 . . 1 1 1 14 LYS HG2 . . . . . . . . . . 29 . 27926 1 >> 23 1 1 . . 8.046 . . 1 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 >> 23 2 1 . . 0.929 . . 1 1 1 10 LEU MD1 . . . . . . . . . . 32 . 27926 1 >> 24 1 1 . . 8.052 . . 1 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 >> 24 2 1 . . 4.355 . . 1 1 1 10 LEU HA . . . . . . . . . . 31 . 27926 1 >> 25 1 1 . . 7.757 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 >> 25 2 1 . . 1.862 . . 1 1 1 8 LYS HB2 . . . . . . . . . . 36 . 27926 1 >> 26 1 1 . . 7.758 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 >> 26 2 1 . . 1.730 . . 1 1 1 8 LYS HB3 . . . . . . . . . . 37 . 27926 1 >> 27 1 1 . . 7.752 . . 1 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 >> 27 2 1 . . 1.578 . . 1 1 1 16 LYS HB2 . . . . . . . . . . 45 . 27926 1 >> 28 1 1 . . 7.758 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 >> 28 2 1 . . 1.424 . . 1 1 1 8 LYS HG2 . . . . . . . . . . 38 . 27926 1 >> 29 1 1 . . 7.758 . . 1 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 >> 29 2 1 . . 1.323 . . 1 1 1 16 LYS HG2 . . . . . . . . . . 46 . 27926 1 >> 30 1 1 . . 7.757 . . 1 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 >> 30 2 1 . . 3.137 . . 1 1 1 16 LYS HE2 . . . . . . . . . . 43 . 27926 1 >> 31 1 1 . . 7.758 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 >> 31 2 1 . . 3.041 . . 1 1 1 8 LYS HE2 . . . . . . . . . . 35 . 27926 1 >> 32 1 1 . . 7.755 . . 1 1 1 16 LYS H . . . . . . . . . . 42 . 27926 1 >> 32 2 1 . . 4.283 . . 1 1 1 16 LYS HA . . . . . . . . . . 44 . 27926 1 >> 33 1 1 . . 7.757 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 >> 33 2 1 . . 4.178 . . 1 1 1 8 LYS HA . . . . . . . . . . 34 . 27926 1 >> 34 1 2 . . 7.758 . . 1 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 >> 34 2 2 . . 4.031 . . 1 1 1 12 SER HB2 . . . . . . . . . . 48 . 27926 1 >> 35 1 1 . . 7.829 . . 1 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 >> 35 2 1 . . 3.131 . . 1 1 1 2 TYR HB2 . . . . . . . . . . 40 . 27926 1 >> 36 1 1 . . 8.200 . . 1 1 1 11 GLY H . . . . . . . . . . 50 . 27926 1 >> 36 2 1 . . 4.008 . . 1 1 1 11 GLY HA2 . . . . . . . . . . 51 . 27926 1 >> 37 1 1 . . 4.184 . . 1 1 1 8 LYS HA . . . . . . . . . . 34 . 27926 1 >> 37 2 1 . . 7.754 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 1 >> 38 1 1 . . 4.372 . . 1 1 1 14 LYS HA . . . . . . . . . . 25 . 27926 1 >> 38 2 1 . . 7.985 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 39 1 1 . . 3.989 . . 1 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 1 >> 39 2 1 . . 8.144 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 40 1 1 . . 8.093 . . 1 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 >> 40 2 1 . . 4.157 . . 1 1 1 1 GLU HA . . . . . . . . . . 53 . 27926 1 >> 41 1 1 . . 8.096 . . 1 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 >> 41 2 1 . . 2.952 . . 1 1 1 1 GLU HG2 . . . . . . . . . . 54 . 27926 1 >> 42 1 1 . . 8.096 . . 1 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 >> 42 2 1 . . 2.604 . . 1 1 1 1 GLU HG3 . . . . . . . . . . 55 . 27926 1 >> 43 1 1 . . 8.090 . . 1 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 >> 43 2 1 . . 1.641 . . 1 1 1 1 GLU HB2 . . . . . . . . . . 56 . 27926 1 >> 44 1 1 . . 7.989 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 1 >> 44 2 1 . . 4.474 . . 1 1 1 9 HIS HA . . . . . . . . . . 58 . 27926 1 >> 45 1 1 . . 4.263 . . 1 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 >> 45 2 1 . . 8.260 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 >> 46 1 1 . . 8.314 . . 1 1 1 3 GLY H . . . . . . . . . . 59 . 27926 1 >> 46 2 1 . . 3.827 . . 1 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 1 >> 47 1 1 . . 7.757 . . 1 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 >> 47 2 1 . . 4.369 . . 1 1 1 12 SER HA . . . . . . . . . . 61 . 27926 1 >> 48 1 1 . . 7.822 . . 1 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 >> 48 2 1 . . 4.634 . . 1 1 1 2 TYR HA . . . . . . . . . . 41 . 27926 1 >> 49 1 1 . . 8.020 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 49 2 1 . . 8.009 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 1 >> 50 1 1 . . 7.979 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 1 >> 50 2 1 . . 7.974 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 1 >> 51 1 1 . . 8.147 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 51 2 1 . . 8.138 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 1 >> 52 1 1 . . 8.174 . . 1 1 1 11 GLY H . . . . . . . . . . 50 . 27926 1 >> 52 2 1 . . 8.170 . . 1 1 1 11 GLY H . . . . . . . . . . 50 . 27926 1 >> 53 1 1 . . 8.244 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 >> 53 2 1 . . 8.243 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 1 >> 54 1 1 . . 8.284 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 >> 54 2 1 . . 8.275 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 1 >> 55 1 1 . . 7.830 . . 1 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 >> 55 2 1 . . 7.824 . . 1 1 1 2 TYR H . . . . . . . . . . 39 . 27926 1 >> 56 1 1 . . 8.102 . . 1 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 >> 56 2 1 . . 8.091 . . 1 1 1 1 GLU H3 . . . . . . . . . . 52 . 27926 1 >> 57 1 1 . . 8.049 . . 1 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 >> 57 2 1 . . 8.045 . . 1 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 >> 58 1 1 . . 8.326 . . 1 1 1 3 GLY H . . . . . . . . . . 59 . 27926 1 >> 58 2 1 . . 8.294 . . 1 1 1 3 GLY H . . . . . . . . . . 59 . 27926 1 >> 59 1 1 . . 8.268 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 >> 59 2 1 . . 8.266 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 >> 60 1 1 . . 8.218 . . 1 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 >> 60 2 1 . . 8.214 . . 1 1 1 13 LEU H . . . . . . . . . . 6 . 27926 1 >> 61 1 1 . . 8.124 . . 1 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 >> 61 2 1 . . 8.124 . . 1 1 1 4 ASP H . . . . . . . . . . 21 . 27926 1 >> 62 1 1 . . 7.758 . . 1 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 >> 62 2 1 . . 7.753 . . 1 1 1 12 SER H . . . . . . . . . . 47 . 27926 1 >> 63 1 1 . . 6.884 . . 1 1 1 2 TYR QE . . . . . . . . . . 62 . 27926 1 >> 63 2 1 . . 7.187 . . 1 1 1 2 TYR QD . . . . . . . . . . 63 . 27926 1 >> 64 1 1 . . 7.194 . . 1 1 1 2 TYR QD . . . . . . . . . . 63 . 27926 1 >> 64 2 1 . . 6.879 . . 1 1 1 2 TYR QE . . . . . . . . . . 62 . 27926 1 >> 65 1 1 . . 7.830 . . 1 1 1 9 HIS HE1 . . . . . . . . . . 64 . 27926 1 >> 65 2 1 . . 6.998 . . 1 1 1 9 HIS HD1 . . . . . . . . . . 65 . 27926 1 >> 66 1 1 . . 7.004 . . 1 1 1 9 HIS HD1 . . . . . . . . . . 65 . 27926 1 >> 66 2 1 . . 7.826 . . 1 1 1 9 HIS HE1 . . . . . . . . . . 64 . 27926 1 >> 67 1 1 . . 6.849 . . 1 1 1 5 GLN HE21 . . . . . . . . . . 66 . 27926 1 >> 67 2 1 . . 7.565 . . 1 1 1 5 GLN HE22 . . . . . . . . . . 67 . 27926 1 >> 68 1 1 . . 6.846 . . 1 1 1 7 GLN HE21 . . . . . . . . . . 68 . 27926 1 >> 68 2 1 . . 7.458 . . 1 1 1 7 GLN HE22 . . . . . . . . . . 69 . 27926 1 >> 70 1 1 . . 7.463 . . 1 1 1 7 GLN HE22 . . . . . . . . . . 69 . 27926 1 >> 70 2 1 . . 6.841 . . 1 1 1 7 GLN HE21 . . . . . . . . . . 68 . 27926 1 >> 71 1 1 . . 7.568 . . 1 1 1 5 GLN HE22 . . . . . . . . . . 67 . 27926 1 >> 71 2 1 . . 6.844 . . 1 1 1 5 GLN HE21 . . . . . . . . . . 66 . 27926 1 >> 72 1 1 . . 7.005 . . 1 1 1 16 LYS QZ . . . . . . . . . . 70 . 27926 1 >> 72 2 1 . . 3.123 . . 1 1 1 16 LYS HE2 . . . . . . . . . . 43 . 27926 1 >> 73 1 1 . . 8.268 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 >> 73 2 1 . . 2.179 . . 1 1 1 5 GLN HB2 . . . . . . . . . . 71 . 27926 1 >> 74 1 1 . . 8.267 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 1 >> 74 2 1 . . 2.504 . . 1 1 1 5 GLN HG2 . . . . . . . . . . 72 . 27926 1 >> 75 1 1 . . 2.475 . . 1 1 1 7 GLN HG2 . . . . . . . . . . 3 . 27926 1 >> 75 2 1 . . 4.261 . . 1 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 >> 76 1 1 . . 2.210 . . 1 1 1 5 GLN HB2 . . . . . . . . . . 71 . 27926 1 >> 76 2 1 . . 4.261 . . 1 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 >> 77 1 2 . . 2.160 . . 1 1 1 5 GLN HB3 . . . . . . . . . . 74 . 27926 1 >> 77 2 2 . . 4.259 . . 1 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 1 >> 78 1 1 . . 3.112 . . 1 1 1 9 HIS HB2 . . . . . . . . . . 75 . 27926 1 >> 78 2 1 . . 4.472 . . 1 1 1 9 HIS HA . . . . . . . . . . 58 . 27926 1 >> 80 1 1 . . 4.316 . . 1 1 1 13 LEU HA . . . . . . . . . . 7 . 27926 1 >> 80 2 1 . . 1.637 . . 1 1 1 13 LEU HG . . . . . . . . . . 77 . 27926 1 >> 81 1 1 . . 4.319 . . 1 1 1 13 LEU HA . . . . . . . . . . 7 . 27926 1 >> 81 2 1 . . 1.770 . . 1 1 1 13 LEU HB2 . . . . . . . . . . 76 . 27926 1 >> 82 1 1 . . 8.046 . . 1 1 1 10 LEU H . . . . . . . . . . 30 . 27926 1 >> 82 2 1 . . 1.768 . . 1 1 1 10 LEU HG . . . . . . . . . . 78 . 27926 1 >> 83 1 1 . . 1.904 . . 1 1 1 10 LEU HB2 . . . . . . . . . . 79 . 27926 1 >> 83 2 1 . . 4.368 . . 1 1 1 10 LEU HA . . . . . . . . . . 31 . 27926 1 >> 84 1 1 . . 1.733 . . 1 1 1 10 LEU HG . . . . . . . . . . 78 . 27926 1 >> 84 2 1 . . 4.362 . . 1 1 1 10 LEU HA . . . . . . . . . . 31 . 27926 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2 >> _Spectral_peak_list.Entry_ID 27926 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 2 >> 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27926 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27926 2 >> 2 1.0 . . 27926 2 >> 3 1.0 . . 27926 2 >> 4 1.0 . . 27926 2 >> 5 1.0 . . 27926 2 >> 6 1.0 . . 27926 2 >> 7 1.0 . . 27926 2 >> 8 1.0 . . 27926 2 >> 9 1.0 . . 27926 2 >> 10 1.0 . . 27926 2 >> 11 1.0 . . 27926 2 >> 12 1.0 . . 27926 2 >> 13 1.0 . . 27926 2 >> 14 1.0 . . 27926 2 >> 15 1.0 . . 27926 2 >> 16 1.0 . . 27926 2 >> 17 1.0 . . 27926 2 >> 18 1.0 . . 27926 2 >> 19 1.0 . . 27926 2 >> 20 1.0 . . 27926 2 >> 21 1.0 . . 27926 2 >> 22 1.0 . . 27926 2 >> 23 1.0 . . 27926 2 >> 24 1.0 . . 27926 2 >> 25 1.0 . . 27926 2 >> 26 1.0 . . 27926 2 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 96303.0 . height 27926 2 >> 1 797277.0 . volume 27926 2 >> 2 190213.0 . height 27926 2 >> 2 1581765.0 . volume 27926 2 >> 3 201413.0 . height 27926 2 >> 3 1650832.0 . volume 27926 2 >> 4 126339.0 . height 27926 2 >> 4 1035480.0 . volume 27926 2 >> 5 36783.0 . height 27926 2 >> 5 299483.0 . volume 27926 2 >> 6 482128.0 . height 27926 2 >> 6 4090752.0 . volume 27926 2 >> 7 149903.0 . height 27926 2 >> 7 1202257.0 . volume 27926 2 >> 8 42165.0 . height 27926 2 >> 8 358158.0 . volume 27926 2 >> 9 32393.0 . height 27926 2 >> 9 264902.0 . volume 27926 2 >> 10 77392.0 . height 27926 2 >> 10 546468.0 . volume 27926 2 >> 11 69359.0 . height 27926 2 >> 11 574680.0 . volume 27926 2 >> 12 27185.0 . height 27926 2 >> 12 235875.0 . volume 27926 2 >> 13 36489.0 . height 27926 2 >> 13 169921.0 . volume 27926 2 >> 14 113975.0 . height 27926 2 >> 14 588552.0 . volume 27926 2 >> 15 401130.0 . height 27926 2 >> 15 1875239.0 . volume 27926 2 >> 16 22277.0 . height 27926 2 >> 16 175345.0 . volume 27926 2 >> 17 44290.0 . height 27926 2 >> 17 382263.0 . volume 27926 2 >> 18 34027.0 . height 27926 2 >> 18 297426.0 . volume 27926 2 >> 19 34147.0 . height 27926 2 >> 19 286501.0 . volume 27926 2 >> 20 25051.0 . height 27926 2 >> 20 206686.0 . volume 27926 2 >> 21 24070.0 . height 27926 2 >> 21 192604.0 . volume 27926 2 >> 22 45913.0 . height 27926 2 >> 22 388122.0 . volume 27926 2 >> 23 164226.0 . height 27926 2 >> 23 845927.0 . volume 27926 2 >> 24 213445.0 . height 27926 2 >> 24 2185619.0 . volume 27926 2 >> 25 74843.0 . height 27926 2 >> 25 658662.0 . volume 27926 2 >> 26 60159.0 . height 27926 2 >> 26 380460.0 . volume 27926 2 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.288 . 21.4934641240 . . . . . . . . . . . 27926 2 >> 1 2 3.987 . 748.8771396520 . . . . . . . . . . . 27926 2 >> 2 1 8.254 . 27.9444982024 . . . . . . . . . . . 27926 2 >> 2 2 4.376 . 105.5440481970 . . . . . . . . . . . 27926 2 >> 3 1 8.148 . 20.6798899407 . . . . . . . . . . . 27926 2 >> 3 2 4.270 . 88.6934645036 . . . . . . . . . . . 27926 2 >> 4 1 8.144 . 23.1175446043 . . . . . . . . . . . 27926 2 >> 4 2 3.815 . 90.3647319943 . . . . . . . . . . . 27926 2 >> 5 1 8.052 . 41.2548873939 . . . . . . . . . . . 27926 2 >> 5 2 3.976 . 105.4867809890 . . . . . . . . . . . 27926 2 >> 6 1 7.760 . 17.5719752031 . . . . . . . . . . . 27926 2 >> 6 2 4.650 . 143.1154269800 . . . . . . . . . . . 27926 2 >> 7 1 8.147 . 21.3066152498 . . . . . . . . . . . 27926 2 >> 7 2 8.318 . 240.7149649130 . . . . . . . . . . . 27926 2 >> 8 1 7.992 . 18.1987005122 . . . . . . . . . . . 27926 2 >> 8 2 8.174 . 285.8738104500 . . . . . . . . . . . 27926 2 >> 9 1 8.300 . 32.4982638453 . . . . . . . . . . . 27926 2 >> 9 2 7.966 . 91.4516402226 . . . . . . . . . . . 27926 2 >> 10 1 8.151 . 19.3767687854 . . . . . . . . . . . 27926 2 >> 10 2 7.971 . 54.7442366095 . . . . . . . . . . . 27926 2 >> 12 1 8.000 . 19.6896931704 . . . . . . . . . . . 27926 2 >> 12 2 3.997 . 152.4587472280 . . . . . . . . . . . 27926 2 >> 13 1 7.832 . 12.1543804804 . . . . . . . . . . . 27926 2 >> 13 2 8.348 . 31.4183679282 . . . . . . . . . . . 27926 2 >> 14 1 7.763 . 16.4871122323 . . . . . . . . . . . 27926 2 >> 14 2 8.061 . 32.1225208395 . . . . . . . . . . . 27926 2 >> 15 1 7.761 . 16.9212911643 . . . . . . . . . . . 27926 2 >> 15 2 7.955 . 29.1332310321 . . . . . . . . . . . 27926 2 >> 16 1 8.245 . 12.0290354186 . . . . . . . . . . . 27926 2 >> 16 2 8.030 . 110.4512051040 . . . . . . . . . . . 27926 2 >> 17 1 8.046 . 13.9095035254 . . . . . . . . . . . 27926 2 >> 17 2 8.235 . 239.3295951920 . . . . . . . . . . . 27926 2 >> 18 1 8.275 . 14.7467442587 . . . . . . . . . . . 27926 2 >> 18 2 7.997 . 362.6884198660 . . . . . . . . . . . 27926 2 >> 19 1 7.991 . 16.5405811048 . . . . . . . . . . . 27926 2 >> 19 2 8.264 . 292.6918221450 . . . . . . . . . . . 27926 2 >> 20 1 8.292 . 12.2039049279 . . . . . . . . . . . 27926 2 >> 20 2 3.806 . 986.7700875970 . . . . . . . . . . . 27926 2 >> 21 1 8.246 . 12.8363277398 . . . . . . . . . . . 27926 2 >> 21 2 3.856 . 231.6429334530 . . . . . . . . . . . 27926 2 >> 22 1 8.223 . 23.6469740961 . . . . . . . . . . . 27926 2 >> 22 2 4.160 . 346.8820861740 . . . . . . . . . . . 27926 2 >> 26 1 7.766 . 14.7343266244 . . . . . . . . . . . 27926 2 >> 26 2 8.178 . 43.4699011784 . . . . . . . . . . . 27926 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.288 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 >> 1 2 1 . . 3.987 . . 1 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 2 >> 2 1 1 . . 8.254 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 2 >> 2 2 1 . . 4.376 . . 1 1 1 14 LYS HA . . . . . . . . . . 25 . 27926 2 >> 3 1 1 . . 8.148 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 >> 3 2 1 . . 4.270 . . 1 1 1 5 GLN HA . . . . . . . . . . 9 . 27926 2 >> 4 1 1 . . 8.144 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 >> 4 2 1 . . 3.815 . . 1 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 2 >> 5 1 1 . . 8.052 . . 1 1 1 10 LEU H . . . . . . . . . . 30 . 27926 2 >> 5 2 1 . . 3.976 . . 1 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 2 >> 6 1 1 . . 7.760 . . 1 1 1 16 LYS H . . . . . . . . . . 42 . 27926 2 >> 6 2 1 . . 4.650 . . 1 1 1 15 ASP HA . . . . . . . . . . 11 . 27926 2 >> 7 1 1 . . 8.147 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 >> 7 2 1 . . 8.318 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 >> 8 1 1 . . 7.992 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 >> 8 2 2 . . 8.174 . . 1 1 1 11 GLY H . . . . . . . . . . 50 . 27926 2 >> 9 1 1 . . 8.300 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 >> 9 2 1 . . 7.966 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 >> 10 1 2 . . 8.151 . . 1 1 1 11 GLY H . . . . . . . . . . 50 . 27926 2 >> 10 2 1 . . 7.971 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 >> 12 1 2 . . 8.000 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 >> 12 2 2 . . 3.997 . . 1 1 1 6 ILE HA . . . . . . . . . . 15 . 27926 2 >> 13 1 1 . . 7.832 . . 1 1 1 2 TYR H . . . . . . . . . . 39 . 27926 2 >> 13 2 1 . . 8.348 . . 1 1 1 3 GLY H . . . . . . . . . . 59 . 27926 2 >> 14 1 1 . . 7.763 . . 1 1 1 12 SER H . . . . . . . . . . 47 . 27926 2 >> 14 2 1 . . 8.061 . . 1 1 1 10 LEU H . . . . . . . . . . 30 . 27926 2 >> 15 1 1 . . 7.761 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 2 >> 15 2 1 . . 7.955 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 >> 16 1 1 . . 8.245 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 2 >> 16 2 1 . . 8.030 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 2 >> 17 1 1 . . 8.046 . . 1 1 1 14 LYS H . . . . . . . . . . 24 . 27926 2 >> 17 2 1 . . 8.235 . . 1 1 1 15 ASP H . . . . . . . . . . 10 . 27926 2 >> 18 1 1 . . 8.275 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 >> 18 2 1 . . 7.997 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 >> 19 1 1 . . 7.991 . . 1 1 1 9 HIS H . . . . . . . . . . 57 . 27926 2 >> 19 2 1 . . 8.264 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 >> 20 1 1 . . 8.292 . . 1 1 1 7 GLN H . . . . . . . . . . 1 . 27926 2 >> 20 2 1 . . 3.806 . . 1 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 2 >> 21 1 1 . . 8.246 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 2 >> 21 2 1 . . 3.856 . . 1 1 1 3 GLY HA2 . . . . . . . . . . 60 . 27926 2 >> 22 1 1 . . 8.223 . . 1 1 1 5 GLN H . . . . . . . . . . 8 . 27926 2 >> 22 2 1 . . 4.160 . . 1 1 1 1 GLU HA . . . . . . . . . . 53 . 27926 2 >> 26 1 1 . . 7.766 . . 1 1 1 8 LYS H . . . . . . . . . . 33 . 27926 2 >> 26 2 1 . . 8.178 . . 1 1 1 6 ILE H . . . . . . . . . . 14 . 27926 2 >> >> stop_ >> >>save_ >> ; save_