data_27927 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RTNLB13_APH_18 ; _BMRB_accession_number 27927 _BMRB_flat_file_name bmr27927.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 18-aa peptide corresponding to Val154 to Ser171 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 Brooks Rhiannon L. . 2 Dixon Ann M. . 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" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27926 'Polypeptide chain (RTN13 16-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-APH18 $RTNLB13_APH_18 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_APH_18 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RTNLB13_APH_18 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 18 _Mol_residue_sequence ; VPKLWEEYGDQIQKHLGS ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 PRO 3 LYS 4 LEU 5 TRP 6 GLU 7 GLU 8 TYR 9 GLY 10 ASP 11 GLN 12 ILE 13 GLN 14 LYS 15 HIS 16 LEU 17 GLY 18 SER 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_APH_18 '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_APH_18 '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_APH_18 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 . 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_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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 TOCSY' '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-APH18 _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 VAL HA H 3.749 0.002 1 2 1 1 VAL HB H 2.028 . 1 3 1 1 VAL HG1 H 1.019 . 1 4 1 1 VAL HG2 H 8.159 0.001 1 5 2 2 PRO HA H 3.992 0.018 1 6 2 2 PRO HB2 H 2.607 . 2 7 2 2 PRO HB3 H 2.240 0.001 2 8 2 2 PRO HD2 H 3.481 0.0 1 9 3 3 LYS H H 8.939 0.01 1 10 3 3 LYS HA H 4.247 . 1 11 3 3 LYS HB2 H 1.816 . 1 12 3 3 LYS HG2 H 1.548 . 1 13 3 3 LYS HE2 H 3.040 . 1 14 4 4 LEU H H 8.755 0.002 1 15 4 4 LEU HA H 4.237 . 1 16 4 4 LEU HB2 H 1.820 . 1 17 4 4 LEU HD1 H 1.004 . 1 18 5 5 TRP H H 7.946 0.013 1 19 5 5 TRP HA H 4.442 0.018 1 20 5 5 TRP HB2 H 3.350 . 1 21 5 5 TRP HD1 H 7.183 0.0 1 22 5 5 TRP HE1 H 10.626 0.0 1 23 5 5 TRP HE3 H 7.505 0.006 1 24 5 5 TRP HZ2 H 7.365 . 1 25 5 5 TRP HZ3 H 7.015 0.009 1 26 5 5 TRP HH2 H 6.828 0.005 1 27 6 6 GLU H H 8.335 0.006 1 28 6 6 GLU HA H 4.387 . 1 29 6 6 GLU HB2 H 1.661 . 1 30 6 6 GLU HG2 H 2.651 . 1 31 7 7 GLU H H 8.227 0.018 1 32 7 7 GLU HA H 4.040 . 1 33 7 7 GLU HB2 H 1.702 . 1 34 7 7 GLU HG2 H 2.695 . 1 35 8 8 TYR H H 7.853 0.022 1 36 8 8 TYR HA H 4.555 . 1 37 8 8 TYR HB2 H 3.353 . 2 38 8 8 TYR HB3 H 3.138 . 2 39 8 8 TYR HD1 H 7.142 0.002 1 40 8 8 TYR HD2 H 7.142 0.002 1 41 8 8 TYR HE1 H 6.799 0.008 1 42 8 8 TYR HE2 H 6.799 0.008 1 43 9 9 GLY H H 8.151 0.016 1 44 9 9 GLY HA2 H 3.913 . 1 45 10 10 ASP H H 7.964 0.012 1 46 10 10 ASP HA H 4.002 . 1 47 10 10 ASP HB2 H 2.239 . 1 48 11 11 GLN H H 8.313 0.014 1 49 11 11 GLN HA H 4.255 0.024 1 50 11 11 GLN HB2 H 2.046 . 1 51 11 11 GLN HG2 H 2.394 . 1 52 12 12 ILE H H 8.025 0.014 1 53 12 12 ILE HA H 4.064 0.003 1 54 12 12 ILE HB H 1.924 . 1 55 12 12 ILE HG12 H 1.582 . 1 56 12 12 ILE HG2 H 0.916 . 1 57 13 13 GLN H H 7.814 0.013 1 58 13 13 GLN HA H 3.863 0.017 1 59 13 13 GLN HB2 H 2.750 . 1 60 13 13 GLN HG2 H 3.211 . 1 61 14 14 LYS H H 7.870 0.003 1 62 14 14 LYS HA H 4.109 0.002 1 63 14 14 LYS HB2 H 1.637 . 1 64 14 14 LYS HG2 H 1.406 . 1 65 14 14 LYS HE2 H 2.956 . 1 66 15 15 HIS H H 8.251 0.02 1 67 15 15 HIS HA H 4.141 . 1 68 15 15 HIS HB2 H 3.020 . 1 69 15 15 HIS HD1 H 7.308 0.002 1 70 15 15 HIS HE1 H 8.400 0.0 1 71 16 16 LEU H H 7.885 0.002 1 72 16 16 LEU HA H 4.461 . 1 73 16 16 LEU HB2 H 1.878 . 1 74 16 16 LEU HD1 H 0.960 . 1 75 17 17 GLY H H 8.325 . 1 76 17 17 GLY HA2 H 4.015 . 1 77 18 18 SER H H 7.797 0.0 1 78 18 18 SER HA H 4.324 . 1 79 18 18 SER HB2 H 3.881 . 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-1H TOCSY' _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 27927 >> _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 TOCSY' >> _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 . . . . . . . 27927 1 >> 2 . . H 1 1H . . 9803.40625225 . . . . . . . 27927 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27927 1 >> 2 1.0 . . 27927 1 >> 3 1.0 . . 27927 1 >> 4 1.0 . . 27927 1 >> 5 1.0 . . 27927 1 >> 6 1.0 . . 27927 1 >> 7 1.0 . . 27927 1 >> 8 1.0 . . 27927 1 >> 9 1.0 . . 27927 1 >> 10 1.0 . . 27927 1 >> 11 1.0 . . 27927 1 >> 12 1.0 . . 27927 1 >> 13 1.0 . . 27927 1 >> 14 1.0 . . 27927 1 >> 15 1.0 . . 27927 1 >> 16 1.0 . . 27927 1 >> 17 1.0 . . 27927 1 >> 18 1.0 . . 27927 1 >> 19 1.0 . . 27927 1 >> 20 1.0 . . 27927 1 >> 21 1.0 . . 27927 1 >> 22 1.0 . . 27927 1 >> 23 1.0 . . 27927 1 >> 24 1.0 . . 27927 1 >> 25 1.0 . . 27927 1 >> 26 1.0 . . 27927 1 >> 27 1.0 . . 27927 1 >> 28 1.0 . . 27927 1 >> 29 1.0 . . 27927 1 >> 30 1.0 . . 27927 1 >> 31 1.0 . . 27927 1 >> 32 1.0 . . 27927 1 >> 33 1.0 . . 27927 1 >> 34 1.0 . . 27927 1 >> 35 1.0 . . 27927 1 >> 36 1.0 . . 27927 1 >> 37 1.0 . . 27927 1 >> 38 1.0 . . 27927 1 >> 39 1.0 . . 27927 1 >> 40 1.0 . . 27927 1 >> 41 1.0 . . 27927 1 >> 42 1.0 . . 27927 1 >> 43 1.0 . . 27927 1 >> 44 1.0 . . 27927 1 >> 45 1.0 . . 27927 1 >> 46 1.0 . . 27927 1 >> 47 1.0 . . 27927 1 >> 48 1.0 . . 27927 1 >> 49 1.0 . . 27927 1 >> 50 1.0 . . 27927 1 >> 51 1.0 . . 27927 1 >> 52 1.0 . . 27927 1 >> 53 1.0 . . 27927 1 >> 54 1.0 . . 27927 1 >> 55 1.0 . . 27927 1 >> 56 1.0 . . 27927 1 >> 57 1.0 . . 27927 1 >> 58 1.0 . . 27927 1 >> 59 1.0 . . 27927 1 >> 60 1.0 . . 27927 1 >> 61 1.0 . . 27927 1 >> 62 1.0 . . 27927 1 >> 63 1.0 . . 27927 1 >> 64 1.0 . . 27927 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 63525.500 . height 27927 1 >> 1 503556.500 . volume 27927 1 >> 2 25591.000 . height 27927 1 >> 2 207704.500 . volume 27927 1 >> 3 49448.125 . height 27927 1 >> 3 406811.750 . volume 27927 1 >> 4 30724.625 . height 27927 1 >> 4 249181.625 . volume 27927 1 >> 5 59187.000 . height 27927 1 >> 5 472717.625 . volume 27927 1 >> 6 13186.875 . height 27927 1 >> 6 103435.500 . volume 27927 1 >> 7 16609.750 . height 27927 1 >> 7 134563.500 . volume 27927 1 >> 8 135747.250 . height 27927 1 >> 8 1101633.875 . volume 27927 1 >> 9 147394.750 . height 27927 1 >> 9 1204992.000 . volume 27927 1 >> 10 105183.750 . height 27927 1 >> 10 869033.750 . volume 27927 1 >> 11 22874.375 . height 27927 1 >> 11 192449.125 . volume 27927 1 >> 12 57792.625 . height 27927 1 >> 12 510259.125 . volume 27927 1 >> 13 98358.750 . height 27927 1 >> 13 815255.125 . volume 27927 1 >> 14 66702.625 . height 27927 1 >> 14 576951.125 . volume 27927 1 >> 15 31449.625 . height 27927 1 >> 15 268189.125 . volume 27927 1 >> 16 3374.125 . height 27927 1 >> 16 46034.750 . volume 27927 1 >> 17 17959.875 . height 27927 1 >> 17 150388.250 . volume 27927 1 >> 18 73021.500 . height 27927 1 >> 18 595471.500 . volume 27927 1 >> 19 38385.625 . height 27927 1 >> 19 321310.750 . volume 27927 1 >> 20 47676.250 . height 27927 1 >> 20 388588.000 . volume 27927 1 >> 21 25075.250 . height 27927 1 >> 21 210733.625 . volume 27927 1 >> 22 86413.750 . height 27927 1 >> 22 721413.875 . volume 27927 1 >> 23 18717.625 . height 27927 1 >> 23 150698.500 . volume 27927 1 >> 24 129314.125 . height 27927 1 >> 24 1048755.500 . volume 27927 1 >> 25 79149.750 . height 27927 1 >> 25 675193.625 . volume 27927 1 >> 26 38259.500 . height 27927 1 >> 26 313486.500 . volume 27927 1 >> 27 123010.625 . height 27927 1 >> 27 1000924.000 . volume 27927 1 >> 28 83553.000 . height 27927 1 >> 28 688691.875 . volume 27927 1 >> 29 105598.625 . height 27927 1 >> 29 909347.500 . volume 27927 1 >> 30 31438.500 . height 27927 1 >> 30 249099.750 . volume 27927 1 >> 31 26840.375 . height 27927 1 >> 31 228610.625 . volume 27927 1 >> 32 52745.000 . height 27927 1 >> 32 423712.375 . volume 27927 1 >> 33 95273.625 . height 27927 1 >> 33 802964.125 . volume 27927 1 >> 34 110885.875 . height 27927 1 >> 34 908524.750 . volume 27927 1 >> 35 125566.375 . height 27927 1 >> 35 1022782.875 . volume 27927 1 >> 36 41740.750 . height 27927 1 >> 36 336998.250 . volume 27927 1 >> 37 50589.125 . height 27927 1 >> 37 421831.125 . volume 27927 1 >> 38 37301.375 . height 27927 1 >> 38 314626.875 . volume 27927 1 >> 39 20819.375 . height 27927 1 >> 39 165872.625 . volume 27927 1 >> 40 32295.375 . height 27927 1 >> 40 256542.000 . volume 27927 1 >> 41 33987.625 . height 27927 1 >> 41 271110.500 . volume 27927 1 >> 42 1220288.125 . height 27927 1 >> 42 9829477.125 . volume 27927 1 >> 43 27233.250 . height 27927 1 >> 43 222831.375 . volume 27927 1 >> 44 18654.250 . height 27927 1 >> 44 148765.250 . volume 27927 1 >> 45 1780765.625 . height 27927 1 >> 45 14504166.750 . volume 27927 1 >> 46 321814.625 . height 27927 1 >> 46 2574784.375 . volume 27927 1 >> 47 36021.125 . height 27927 1 >> 47 279971.500 . volume 27927 1 >> 48 39135.125 . height 27927 1 >> 48 313353.625 . volume 27927 1 >> 49 331948.750 . height 27927 1 >> 49 2809179.875 . volume 27927 1 >> 50 240018.375 . height 27927 1 >> 50 1955861.375 . volume 27927 1 >> 51 441297.000 . height 27927 1 >> 51 3479574.500 . volume 27927 1 >> 52 518826.125 . height 27927 1 >> 52 4091184.250 . volume 27927 1 >> 53 320611.500 . height 27927 1 >> 53 2675122.875 . volume 27927 1 >> 54 444587.625 . height 27927 1 >> 54 3662457.625 . volume 27927 1 >> 55 339644.250 . height 27927 1 >> 55 2712429.125 . volume 27927 1 >> 56 447607.625 . height 27927 1 >> 56 3783275.750 . volume 27927 1 >> 57 354455.500 . height 27927 1 >> 57 2899106.125 . volume 27927 1 >> 58 91688.250 . height 27927 1 >> 58 772584.125 . volume 27927 1 >> 59 58986.250 . height 27927 1 >> 59 491388.000 . volume 27927 1 >> 60 411141.375 . height 27927 1 >> 60 3456674.750 . volume 27927 1 >> 61 737944.125 . height 27927 1 >> 61 6102894.125 . volume 27927 1 >> 62 796104.250 . height 27927 1 >> 62 6627016.125 . volume 27927 1 >> 63 238380.000 . height 27927 1 >> 63 1903544.875 . volume 27927 1 >> 64 194090.875 . height 27927 1 >> 64 1552367.250 . volume 27927 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 8.942 . 21.2816338913 . . . . . . . . . . . 27927 1 >> 1 2 4.247 . 77.6899863287 . . . . . . . . . . . 27927 1 >> 2 1 8.943 . 21.2984342201 . . . . . . . . . . . 27927 1 >> 2 2 3.040 . 88.6549115180 . . . . . . . . . . . 27927 1 >> 3 1 8.941 . 22.3442912102 . . . . . . . . . . . 27927 1 >> 3 2 1.816 . 98.0228667876 . . . . . . . . . . . 27927 1 >> 4 1 8.941 . 22.3945461068 . . . . . . . . . . . 27927 1 >> 4 2 1.548 . 88.6706883888 . . . . . . . . . . . 27927 1 >> 5 1 8.754 . 23.8532529158 . . . . . . . . . . . 27927 1 >> 5 2 4.237 . 80.8669806402 . . . . . . . . . . . 27927 1 >> 6 1 8.754 . 25.0107225250 . . . . . . . . . . . 27927 1 >> 6 2 1.820 . 72.1020524314 . . . . . . . . . . . 27927 1 >> 7 1 8.751 . 18.3665577103 . . . . . . . . . . . 27927 1 >> 7 2 1.004 . 92.8013068893 . . . . . . . . . . . 27927 1 >> 8 1 8.338 . 23.4503372043 . . . . . . . . . . . 27927 1 >> 8 2 4.387 . 92.3268321089 . . . . . . . . . . . 27927 1 >> 9 1 8.325 . 48.8170806099 . . . . . . . . . . . 27927 1 >> 9 2 4.015 . 84.1053294491 . . . . . . . . . . . 27927 1 >> 10 1 8.337 . 26.2348090901 . . . . . . . . . . . 27927 1 >> 10 2 2.651 . 99.2306738947 . . . . . . . . . . . 27927 1 >> 11 1 8.346 . 137.1356786470 . . . . . . . . . . . 27927 1 >> 11 2 1.661 . 115.9979815580 . . . . . . . . . . . 27927 1 >> 12 1 8.310 . 67.6365167487 . . . . . . . . . . . 27927 1 >> 12 2 4.280 . 173.9633734460 . . . . . . . . . . . 27927 1 >> 13 1 8.310 . 57.1487288849 . . . . . . . . . . . 27927 1 >> 13 2 2.394 . 333.7351594640 . . . . . . . . . . . 27927 1 >> 14 1 8.310 . 64.5765194706 . . . . . . . . . . . 27927 1 >> 14 2 2.046 . 365.1480778360 . . . . . . . . . . . 27927 1 >> 15 1 8.246 . 29.0886736384 . . . . . . . . . . . 27927 1 >> 15 2 3.020 . 156.3768371590 . . . . . . . . . . . 27927 1 >> 16 1 8.247 . 403.9579162410 . . . . . . . . . . . 27927 1 >> 16 2 4.141 . 551.1603059270 . . . . . . . . . . . 27927 1 >> 17 1 8.213 . 232.7920759430 . . . . . . . . . . . 27927 1 >> 17 2 4.040 . 272.3146328770 . . . . . . . . . . . 27927 1 >> 18 1 8.223 . 39.2064159992 . . . . . . . . . . . 27927 1 >> 18 2 2.695 . 84.5044258468 . . . . . . . . . . . 27927 1 >> 19 1 8.205 . 76.6826903119 . . . . . . . . . . . 27927 1 >> 19 2 1.702 . 105.2860706300 . . . . . . . . . . . 27927 1 >> 20 1 8.161 . 24.6433066387 . . . . . . . . . . . 27927 1 >> 20 2 3.752 . 85.7011307116 . . . . . . . . . . . 27927 1 >> 21 1 8.158 . 38.4292181800 . . . . . . . . . . . 27927 1 >> 21 2 2.028 . 200.8202821350 . . . . . . . . . . . 27927 1 >> 22 1 8.159 . 26.8133247600 . . . . . . . . . . . 27927 1 >> 22 2 1.019 . 141.8597787310 . . . . . . . . . . . 27927 1 >> 23 1 8.115 . 70.3720485463 . . . . . . . . . . . 27927 1 >> 23 2 3.913 . 83.3240821814 . . . . . . . . . . . 27927 1 >> 24 1 8.022 . 30.4991708082 . . . . . . . . . . . 27927 1 >> 24 2 4.067 . 87.4745678525 . . . . . . . . . . . 27927 1 >> 25 1 8.022 . 27.3754783705 . . . . . . . . . . . 27927 1 >> 25 2 1.924 . 204.3303437180 . . . . . . . . . . . 27927 1 >> 26 1 8.024 . 25.6282441756 . . . . . . . . . . . 27927 1 >> 26 2 1.582 . 94.3579581392 . . . . . . . . . . . 27927 1 >> 27 1 8.013 . 40.9031031178 . . . . . . . . . . . 27927 1 >> 27 2 0.916 . 82.4505110032 . . . . . . . . . . . 27927 1 >> 28 1 7.977 . 56.1230322894 . . . . . . . . . . . 27927 1 >> 28 2 4.002 . 166.5336359670 . . . . . . . . . . . 27927 1 >> 29 1 7.973 . 40.8949220882 . . . . . . . . . . . 27927 1 >> 29 2 2.239 . 140.4597275320 . . . . . . . . . . . 27927 1 >> 30 1 7.941 . 64.1173591801 . . . . . . . . . . . 27927 1 >> 30 2 4.442 . 76.6919531700 . . . . . . . . . . . 27927 1 >> 31 1 7.943 . 21.9610976238 . . . . . . . . . . . 27927 1 >> 31 2 3.350 . 129.5514822120 . . . . . . . . . . . 27927 1 >> 32 1 7.886 . 22.9264591254 . . . . . . . . . . . 27927 1 >> 32 2 4.461 . 83.3182388959 . . . . . . . . . . . 27927 1 >> 33 1 7.883 . 29.5136489120 . . . . . . . . . . . 27927 1 >> 33 2 1.878 . 170.2376946290 . . . . . . . . . . . 27927 1 >> 34 1 7.888 . 29.8473180509 . . . . . . . . . . . 27927 1 >> 34 2 0.960 . 89.6844984182 . . . . . . . . . . . 27927 1 >> 35 1 7.873 . 80.5644428029 . . . . . . . . . . . 27927 1 >> 35 2 4.107 . 84.2391406864 . . . . . . . . . . . 27927 1 >> 36 1 7.872 . 24.8472480213 . . . . . . . . . . . 27927 1 >> 36 2 2.956 . 83.5940419702 . . . . . . . . . . . 27927 1 >> 37 1 7.872 . 30.9251687106 . . . . . . . . . . . 27927 1 >> 37 2 1.637 . 275.4051465630 . . . . . . . . . . . 27927 1 >> 38 1 7.872 . 22.5025064805 . . . . . . . . . . . 27927 1 >> 38 2 1.406 . 116.5747138340 . . . . . . . . . . . 27927 1 >> 39 1 7.852 . 32.9114058438 . . . . . . . . . . . 27927 1 >> 39 2 4.555 . 78.1872499225 . . . . . . . . . . . 27927 1 >> 40 1 7.855 . 25.4608252469 . . . . . . . . . . . 27927 1 >> 40 2 3.353 . 81.1053866875 . . . . . . . . . . . 27927 1 >> 41 1 7.854 . 40.8952142678 . . . . . . . . . . . 27927 1 >> 41 2 3.138 . 76.8199211219 . . . . . . . . . . . 27927 1 >> 42 1 7.844 . 61.1721884971 . . . . . . . . . . . 27927 1 >> 42 2 3.880 . 79.6124272492 . . . . . . . . . . . 27927 1 >> 43 1 7.810 . 22.9805123572 . . . . . . . . . . . 27927 1 >> 43 2 2.750 . 95.6726973705 . . . . . . . . . . . 27927 1 >> 44 1 7.811 . 23.2642187792 . . . . . . . . . . . 27927 1 >> 44 2 3.211 . 77.8056833811 . . . . . . . . . . . 27927 1 >> 45 1 7.797 . 54.4660816006 . . . . . . . . . . . 27927 1 >> 45 2 3.881 . 86.2766943307 . . . . . . . . . . . 27927 1 >> 46 1 7.796 . 28.2023467270 . . . . . . . . . . . 27927 1 >> 46 2 4.324 . 78.5828403490 . . . . . . . . . . . 27927 1 >> 47 1 3.979 . 19.0565399095 . . . . . . . . . . . 27927 1 >> 47 2 3.481 . 68.8344871951 . . . . . . . . . . . 27927 1 >> 48 1 3.482 . 19.3411228704 . . . . . . . . . . . 27927 1 >> 48 2 3.971 . 136.0129872870 . . . . . . . . . . . 27927 1 >> 49 1 4.007 . 37.6245554756 . . . . . . . . . . . 27927 1 >> 49 2 2.239 . 116.2235323770 . . . . . . . . . . . 27927 1 >> 50 1 2.241 . 40.1343785080 . . . . . . . . . . . 27927 1 >> 50 2 4.012 . 90.0946970584 . . . . . . . . . . . 27927 1 >> 51 1 10.626 . 19.5003607694 . . . . . . . . . . . 27927 1 >> 51 2 7.182 . 77.3332537507 . . . . . . . . . . . 27927 1 >> 52 1 7.183 . 18.3374858370 . . . . . . . . . . . 27927 1 >> 52 2 10.625 . 78.7709941412 . . . . . . . . . . . 27927 1 >> 53 1 7.006 . 32.6443536609 . . . . . . . . . . . 27927 1 >> 53 2 7.496 . 108.7803553430 . . . . . . . . . . . 27927 1 >> 54 1 6.847 . 22.5521770178 . . . . . . . . . . . 27927 1 >> 54 2 7.642 . 158.8003398090 . . . . . . . . . . . 27927 1 >> 55 1 7.654 . 24.2833413330 . . . . . . . . . . . 27927 1 >> 55 2 6.848 . 79.5224406529 . . . . . . . . . . . 27927 1 >> 56 1 7.511 . 28.8693928251 . . . . . . . . . . . 27927 1 >> 56 2 7.025 . 139.6112824810 . . . . . . . . . . . 27927 1 >> 57 1 7.506 . 48.0188458574 . . . . . . . . . . . 27927 1 >> 57 2 6.824 . 91.2624776601 . . . . . . . . . . . 27927 1 >> 58 1 7.365 . 309.9777534900 . . . . . . . . . . . 27927 1 >> 58 2 6.836 . 103.2663390060 . . . . . . . . . . . 27927 1 >> 60 1 6.825 . 39.5500192455 . . . . . . . . . . . 27927 1 >> 60 2 7.509 . 110.8012556230 . . . . . . . . . . . 27927 1 >> 61 1 6.791 . 67.0581471686 . . . . . . . . . . . 27927 1 >> 61 2 7.141 . 94.0108669821 . . . . . . . . . . . 27927 1 >> 62 1 7.144 . 33.3940865947 . . . . . . . . . . . 27927 1 >> 62 2 6.807 . 96.1121124380 . . . . . . . . . . . 27927 1 >> 63 1 8.400 . 21.9768753239 . . . . . . . . . . . 27927 1 >> 63 2 7.306 . 81.2500080029 . . . . . . . . . . . 27927 1 >> 64 1 7.310 . 21.9727848090 . . . . . . . . . . . 27927 1 >> 64 2 8.400 . 81.1391316611 . . . . . . . . . . . 27927 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 . . 8.942 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 >> 1 2 1 . . 4.247 . . 1 1 1 3 LYS HA . . . . . . . . . . 2 . 27927 1 >> 2 1 2 . . 8.943 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 >> 2 2 1 . . 3.040 . . 1 1 1 3 LYS HE2 . . . . . . . . . . 3 . 27927 1 >> 3 1 1 . . 8.941 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 >> 3 2 1 . . 1.816 . . 1 1 1 3 LYS HB2 . . . . . . . . . . 4 . 27927 1 >> 4 1 1 . . 8.941 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 >> 4 2 1 . . 1.548 . . 1 1 1 3 LYS HG2 . . . . . . . . . . 5 . 27927 1 >> 5 1 1 . . 8.754 . . 1 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1 >> 5 2 1 . . 4.237 . . 1 1 1 4 LEU HA . . . . . . . . . . 7 . 27927 1 >> 6 1 1 . . 8.754 . . 1 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1 >> 6 2 1 . . 1.820 . . 1 1 1 4 LEU HB2 . . . . . . . . . . 8 . 27927 1 >> 7 1 1 . . 8.751 . . 1 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1 >> 7 2 1 . . 1.004 . . 1 1 1 4 LEU MD1 . . . . . . . . . . 9 . 27927 1 >> 8 1 1 . . 8.338 . . 1 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1 >> 8 2 1 . . 4.387 . . 1 1 1 6 GLU HA . . . . . . . . . . 13 . 27927 1 >> 9 1 1 . . 8.325 . . 1 1 1 17 GLY H . . . . . . . . . . 10 . 27927 1 >> 9 2 1 . . 4.015 . . 1 1 1 17 GLY HA2 . . . . . . . . . . 11 . 27927 1 >> 10 1 1 . . 8.337 . . 1 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1 >> 10 2 1 . . 2.651 . . 1 1 1 6 GLU HG2 . . . . . . . . . . 14 . 27927 1 >> 11 1 1 . . 8.346 . . 1 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1 >> 11 2 1 . . 1.661 . . 1 1 1 6 GLU HB2 . . . . . . . . . . 15 . 27927 1 >> 12 1 1 . . 8.310 . . 1 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1 >> 12 2 1 . . 4.280 . . 1 1 1 11 GLN HA . . . . . . . . . . 17 . 27927 1 >> 13 1 1 . . 8.310 . . 1 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1 >> 13 2 1 . . 2.394 . . 1 1 1 11 GLN HG2 . . . . . . . . . . 18 . 27927 1 >> 14 1 1 . . 8.310 . . 1 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1 >> 14 2 1 . . 2.046 . . 1 1 1 11 GLN HB2 . . . . . . . . . . 19 . 27927 1 >> 15 1 1 . . 8.246 . . 1 1 1 15 HIS H . . . . . . . . . . 20 . 27927 1 >> 15 2 1 . . 3.020 . . 1 1 1 15 HIS HB2 . . . . . . . . . . 22 . 27927 1 >> 16 1 1 . . 8.247 . . 1 1 1 15 HIS H . . . . . . . . . . 20 . 27927 1 >> 16 2 1 . . 4.141 . . 1 1 1 15 HIS HA . . . . . . . . . . 21 . 27927 1 >> 17 1 1 . . 8.213 . . 1 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1 >> 17 2 1 . . 4.040 . . 1 1 1 7 GLU HA . . . . . . . . . . 24 . 27927 1 >> 18 1 1 . . 8.223 . . 1 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1 >> 18 2 1 . . 2.695 . . 1 1 1 7 GLU HG2 . . . . . . . . . . 25 . 27927 1 >> 19 1 1 . . 8.205 . . 1 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1 >> 19 2 1 . . 1.702 . . 1 1 1 7 GLU HB2 . . . . . . . . . . 26 . 27927 1 >> 20 1 1 . . 8.161 . . 1 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1 >> 20 2 1 . . 3.752 . . 1 1 1 1 VAL HA . . . . . . . . . . 28 . 27927 1 >> 21 1 1 . . 8.158 . . 1 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1 >> 21 2 1 . . 2.028 . . 1 1 1 1 VAL HB . . . . . . . . . . 29 . 27927 1 >> 22 1 1 . . 8.159 . . 1 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1 >> 22 2 1 . . 1.019 . . 1 1 1 1 VAL MG1 . . . . . . . . . . 30 . 27927 1 >> 23 1 1 . . 8.115 . . 1 1 1 9 GLY H . . . . . . . . . . 31 . 27927 1 >> 23 2 1 . . 3.913 . . 1 1 1 9 GLY HA2 . . . . . . . . . . 32 . 27927 1 >> 24 1 1 . . 8.022 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 >> 24 2 1 . . 4.067 . . 1 1 1 12 ILE HA . . . . . . . . . . 34 . 27927 1 >> 25 1 2 . . 8.022 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 >> 25 2 1 . . 1.924 . . 1 1 1 12 ILE HB . . . . . . . . . . 36 . 27927 1 >> 26 1 1 . . 8.024 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 >> 26 2 1 . . 1.582 . . 1 1 1 12 ILE HG12 . . . . . . . . . . 37 . 27927 1 >> 27 1 1 . . 8.013 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 >> 27 2 1 . . 0.916 . . 1 1 1 12 ILE MG . . . . . . . . . . 38 . 27927 1 >> 28 1 1 . . 7.977 . . 1 1 1 10 ASP H . . . . . . . . . . 39 . 27927 1 >> 28 2 1 . . 4.002 . . 1 1 1 10 ASP HA . . . . . . . . . . 40 . 27927 1 >> 29 1 1 . . 7.973 . . 1 1 1 10 ASP H . . . . . . . . . . 39 . 27927 1 >> 29 2 1 . . 2.239 . . 1 1 1 10 ASP HB2 . . . . . . . . . . 41 . 27927 1 >> 30 1 1 . . 7.941 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 1 >> 30 2 1 . . 4.442 . . 1 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 1 >> 31 1 1 . . 7.943 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 1 >> 31 2 1 . . 3.350 . . 1 1 1 5 TRP HB2 . . . . . . . . . . 44 . 27927 1 >> 32 1 1 . . 7.886 . . 1 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1 >> 32 2 1 . . 4.461 . . 1 1 1 16 LEU HA . . . . . . . . . . 46 . 27927 1 >> 33 1 1 . . 7.883 . . 1 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1 >> 33 2 1 . . 1.878 . . 1 1 1 16 LEU HB2 . . . . . . . . . . 47 . 27927 1 >> 34 1 1 . . 7.888 . . 1 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1 >> 34 2 1 . . 0.960 . . 1 1 1 16 LEU MD1 . . . . . . . . . . 48 . 27927 1 >> 35 1 1 . . 7.873 . . 1 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 >> 35 2 1 . . 4.107 . . 1 1 1 14 LYS HA . . . . . . . . . . 50 . 27927 1 >> 36 1 1 . . 7.872 . . 1 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 >> 36 2 1 . . 2.956 . . 1 1 1 14 LYS HE2 . . . . . . . . . . 51 . 27927 1 >> 37 1 1 . . 7.872 . . 1 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 >> 37 2 1 . . 1.637 . . 1 1 1 14 LYS HB2 . . . . . . . . . . 52 . 27927 1 >> 38 1 1 . . 7.872 . . 1 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 >> 38 2 1 . . 1.406 . . 1 1 1 14 LYS HG2 . . . . . . . . . . 53 . 27927 1 >> 39 1 1 . . 7.852 . . 1 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1 >> 39 2 1 . . 4.555 . . 1 1 1 8 TYR HA . . . . . . . . . . 57 . 27927 1 >> 40 1 1 . . 7.855 . . 1 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1 >> 40 2 1 . . 3.353 . . 1 1 1 8 TYR HB2 . . . . . . . . . . 58 . 27927 1 >> 41 1 1 . . 7.854 . . 1 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1 >> 41 2 1 . . 3.138 . . 1 1 1 8 TYR HB3 . . . . . . . . . . 59 . 27927 1 >> 42 1 1 . . 7.844 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1 >> 42 2 1 . . 3.880 . . 1 1 1 13 GLN HA . . . . . . . . . . 63 . 27927 1 >> 43 1 1 . . 7.810 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1 >> 43 2 1 . . 2.750 . . 1 1 1 13 GLN HB2 . . . . . . . . . . 61 . 27927 1 >> 44 1 2 . . 7.811 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1 >> 44 2 2 . . 3.211 . . 1 1 1 13 GLN HG2 . . . . . . . . . . 62 . 27927 1 >> 45 1 1 . . 7.797 . . 1 1 1 18 SER H . . . . . . . . . . 64 . 27927 1 >> 45 2 1 . . 3.881 . . 1 1 1 18 SER HB2 . . . . . . . . . . 66 . 27927 1 >> 46 1 1 . . 7.796 . . 1 1 1 18 SER H . . . . . . . . . . 64 . 27927 1 >> 46 2 1 . . 4.324 . . 1 1 1 18 SER HA . . . . . . . . . . 65 . 27927 1 >> 47 1 1 . . 3.979 . . 1 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 >> 47 2 1 . . 3.481 . . 1 1 1 2 PRO HD2 . . . . . . . . . . 68 . 27927 1 >> 48 1 1 . . 3.482 . . 1 1 1 2 PRO HD2 . . . . . . . . . . 68 . 27927 1 >> 48 2 1 . . 3.971 . . 1 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 >> 49 1 1 . . 4.007 . . 1 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 >> 49 2 1 . . 2.239 . . 1 1 1 2 PRO HB3 . . . . . . . . . . 70 . 27927 1 >> 50 1 1 . . 2.241 . . 1 1 1 2 PRO HB3 . . . . . . . . . . 70 . 27927 1 >> 50 2 1 . . 4.012 . . 1 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 >> 51 1 1 . . 10.626 . . 1 1 1 5 TRP HE1 . . . . . . . . . . 71 . 27927 1 >> 51 2 1 . . 7.182 . . 1 1 1 5 TRP HD1 . . . . . . . . . . 72 . 27927 1 >> 52 1 1 . . 7.183 . . 1 1 1 5 TRP HD1 . . . . . . . . . . 72 . 27927 1 >> 52 2 1 . . 10.625 . . 1 1 1 5 TRP HE1 . . . . . . . . . . 71 . 27927 1 >> 53 1 1 . . 7.006 . . 1 1 1 5 TRP HZ3 . . . . . . . . . . 81 . 27927 1 >> 53 2 1 . . 7.496 . . 1 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 >> 54 1 2 . . 6.847 . . 1 . . . . . . . . . . . . . . . 79 . 27927 1 >> 54 2 2 . . 7.642 . . 1 . . . . . . . . . . . . . . . 78 . 27927 1 >> 55 1 1 . . 7.654 . . 1 . . . . . . . . . . . . . . . 78 . 27927 1 >> 55 2 1 . . 6.848 . . 1 . . . . . . . . . . . . . . . 79 . 27927 1 >> 56 1 1 . . 7.511 . . 1 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 >> 56 2 1 . . 7.025 . . 1 1 1 5 TRP HZ3 . . . . . . . . . . 81 . 27927 1 >> 57 1 2 . . 7.506 . . 1 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 >> 57 2 4 . . 6.824 . . 1 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1 >> 58 1 1 . . 7.365 . . 1 1 1 5 TRP HZ2 . . . . . . . . . . 83 . 27927 1 >> 58 2 1 . . 6.836 . . 1 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1 >> 60 1 1 . . 6.825 . . 1 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1 >> 60 2 1 . . 7.509 . . 1 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 >> 61 1 1 . . 6.791 . . 1 1 1 8 TYR QE . . . . . . . . . . 84 . 27927 1 >> 61 2 1 . . 7.141 . . 1 1 1 8 TYR QD . . . . . . . . . . 85 . 27927 1 >> 62 1 1 . . 7.144 . . 1 1 1 8 TYR QD . . . . . . . . . . 85 . 27927 1 >> 62 2 1 . . 6.807 . . 1 1 1 8 TYR QE . . . . . . . . . . 84 . 27927 1 >> 63 1 1 . . 8.400 . . 1 1 1 15 HIS HE1 . . . . . . . . . . 88 . 27927 1 >> 63 2 1 . . 7.306 . . 1 1 1 15 HIS HD1 . . . . . . . . . . 89 . 27927 1 >> 64 1 1 . . 7.310 . . 1 1 1 15 HIS HD1 . . . . . . . . . . 89 . 27927 1 >> 64 2 1 . . 8.400 . . 1 1 1 15 HIS HE1 . . . . . . . . . . 88 . 27927 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 27927 >> _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 . . . . . . . 27927 2 >> 2 . . H 1 1H . . 9803.40625600 . . . . . . . 27927 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 27927 2 >> 2 1.0 . . 27927 2 >> 3 1.0 . . 27927 2 >> 4 1.0 . . 27927 2 >> 5 1.0 . . 27927 2 >> 6 1.0 . . 27927 2 >> 7 1.0 . . 27927 2 >> 8 1.0 . . 27927 2 >> 9 1.0 . . 27927 2 >> 10 1.0 . . 27927 2 >> 11 1.0 . . 27927 2 >> 12 1.0 . . 27927 2 >> 13 1.0 . . 27927 2 >> 14 1.0 . . 27927 2 >> 15 1.0 . . 27927 2 >> 16 1.0 . . 27927 2 >> 17 1.0 . . 27927 2 >> 18 1.0 . . 27927 2 >> 19 1.0 . . 27927 2 >> 20 1.0 . . 27927 2 >> 21 1.0 . . 27927 2 >> 22 1.0 . . 27927 2 >> 23 1.0 . . 27927 2 >> 24 1.0 . . 27927 2 >> 25 1.0 . . 27927 2 >> 26 1.0 . . 27927 2 >> 27 1.0 . . 27927 2 >> 28 1.0 . . 27927 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 97492.0 . height 27927 2 >> 1 777927.0 . volume 27927 2 >> 2 27189.0 . height 27927 2 >> 2 218225.5 . volume 27927 2 >> 3 86729.5 . height 27927 2 >> 3 719662.5 . volume 27927 2 >> 4 261132.0 . height 27927 2 >> 4 2176794.0 . volume 27927 2 >> 5 130574.0 . height 27927 2 >> 5 1082104.5 . volume 27927 2 >> 6 14421.0 . height 27927 2 >> 6 121602.5 . volume 27927 2 >> 7 299366.5 . height 27927 2 >> 7 2269549.5 . volume 27927 2 >> 8 264503.5 . height 27927 2 >> 8 2157763.5 . volume 27927 2 >> 9 246716.5 . height 27927 2 >> 9 2015046.0 . volume 27927 2 >> 10 51468.5 . height 27927 2 >> 10 422801.5 . volume 27927 2 >> 11 320376.0 . height 27927 2 >> 11 2505817.0 . volume 27927 2 >> 12 110211.5 . height 27927 2 >> 12 883371.0 . volume 27927 2 >> 13 278825.0 . height 27927 2 >> 13 2172327.0 . volume 27927 2 >> 14 324402.5 . height 27927 2 >> 14 2752117.0 . volume 27927 2 >> 15 210353.5 . height 27927 2 >> 15 1585453.0 . volume 27927 2 >> 16 100995.0 . height 27927 2 >> 16 847601.5 . volume 27927 2 >> 17 254828.0 . height 27927 2 >> 17 2115953.5 . volume 27927 2 >> 18 254389.5 . height 27927 2 >> 18 2069952.5 . volume 27927 2 >> 19 237909.5 . height 27927 2 >> 19 1897659.5 . volume 27927 2 >> 20 32911.5 . height 27927 2 >> 20 362211.0 . volume 27927 2 >> 21 148056.5 . height 27927 2 >> 21 1204888.5 . volume 27927 2 >> 22 20061.5 . height 27927 2 >> 22 168462.0 . volume 27927 2 >> 23 17910.0 . height 27927 2 >> 23 153559.0 . volume 27927 2 >> 24 48413.5 . height 27927 2 >> 24 429420.5 . volume 27927 2 >> 25 74142.0 . height 27927 2 >> 25 561321.5 . volume 27927 2 >> 26 71802.5 . height 27927 2 >> 26 525323.5 . volume 27927 2 >> 27 205078.5 . height 27927 2 >> 27 1679059.0 . volume 27927 2 >> 28 103372.0 . height 27927 2 >> 28 1015000.5 . volume 27927 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 8.247 . 28.7240334586 . . . . . . . . . . . 27927 2 >> 1 2 4.433 . 88.7834638323 . . . . . . . . . . . 27927 2 >> 2 1 8.160 . 27.0374265372 . . . . . . . . . . . 27927 2 >> 2 2 4.419 . 92.0521977269 . . . . . . . . . . . 27927 2 >> 3 1 7.809 . 27.5972427106 . . . . . . . . . . . 27927 2 >> 3 2 4.442 . 469.2275101960 . . . . . . . . . . . 27927 2 >> 4 1 7.800 . 27.6469132480 . . . . . . . . . . . 27927 2 >> 4 2 4.061 . 107.4673691380 . . . . . . . . . . . 27927 2 >> 5 1 8.024 . 86.1725386451 . . . . . . . . . . . 27927 2 >> 5 2 4.231 . 242.5483524440 . . . . . . . . . . . 27927 2 >> 6 1 8.227 . 15.8650617973 . . . . . . . . . . . 27927 2 >> 6 2 3.846 . 368.6709947890 . . . . . . . . . . . 27927 2 >> 7 1 7.807 . 26.9097440383 . . . . . . . . . . . 27927 2 >> 7 2 8.002 . 76.2060840121 . . . . . . . . . . . 27927 2 >> 8 1 7.809 . 24.8107255674 . . . . . . . . . . . 27927 2 >> 8 2 8.246 . 89.1843132159 . . . . . . . . . . . 27927 2 >> 9 1 7.950 . 25.7795932246 . . . . . . . . . . . 27927 2 >> 9 2 8.333 . 217.4917600000 . . . . . . . . . . . 27927 2 >> 10 1 8.019 . 179.5946383010 . . . . . . . . . . . 27927 2 >> 10 2 8.297 . 133.0266302150 . . . . . . . . . . . 27927 2 >> 11 1 7.949 . 27.5940287347 . . . . . . . . . . . 27927 2 >> 11 2 8.147 . 103.6522880510 . . . . . . . . . . . 27927 2 >> 12 1 7.940 . 23.1651698842 . . . . . . . . . . . 27927 2 >> 12 2 8.759 . 82.5532067770 . . . . . . . . . . . 27927 2 >> 13 1 8.331 . 26.1174989682 . . . . . . . . . . . 27927 2 >> 13 2 8.154 . 240.6716352320 . . . . . . . . . . . 27927 2 >> 14 1 8.333 . 28.1307627173 . . . . . . . . . . . 27927 2 >> 14 2 7.919 . 125.7539310310 . . . . . . . . . . . 27927 2 >> 15 1 8.158 . 25.2171474345 . . . . . . . . . . . 27927 2 >> 15 2 8.335 . 243.6566776160 . . . . . . . . . . . 27927 2 >> 16 1 8.250 . 101.3762518470 . . . . . . . . . . . 27927 2 >> 16 2 7.972 . 256.0404986050 . . . . . . . . . . . 27927 2 >> 17 1 8.160 . 29.5490026474 . . . . . . . . . . . 27927 2 >> 17 2 7.955 . 92.5135251151 . . . . . . . . . . . 27927 2 >> 18 1 8.248 . 25.9962444212 . . . . . . . . . . . 27927 2 >> 18 2 7.812 . 90.7228502814 . . . . . . . . . . . 27927 2 >> 19 1 8.024 . 28.8553682028 . . . . . . . . . . . 27927 2 >> 19 2 7.822 . 268.1924872430 . . . . . . . . . . . 27927 2 >> 20 1 8.298 . 131.5221774810 . . . . . . . . . . . 27927 2 >> 20 2 8.048 . 293.2590132730 . . . . . . . . . . . 27927 2 >> 21 1 8.756 . 21.8839622011 . . . . . . . . . . . 27927 2 >> 21 2 7.946 . 92.0635921336 . . . . . . . . . . . 27927 2 >> 22 1 8.943 . 20.6343099183 . . . . . . . . . . . 27927 2 >> 22 2 7.954 . 146.2954167890 . . . . . . . . . . . 27927 2 >> 23 1 7.947 . 29.7532362096 . . . . . . . . . . . 27927 2 >> 23 2 8.908 . 219.0136437010 . . . . . . . . . . . 27927 2 >> 24 1 8.292 . 64.1911345370 . . . . . . . . . . . 27927 2 >> 24 2 4.110 . 192.1307323820 . . . . . . . . . . . 27927 2 >> 25 1 8.944 . 21.6848417824 . . . . . . . . . . . 27927 2 >> 25 2 8.755 . 79.3188021845 . . . . . . . . . . . 27927 2 >> 26 1 8.756 . 21.9098200985 . . . . . . . . . . . 27927 2 >> 26 2 8.943 . 65.0693662258 . . . . . . . . . . . 27927 2 >> 27 1 7.871 . 27.9598376330 . . . . . . . . . . . 27927 2 >> 27 2 8.325 . 92.6907227472 . . . . . . . . . . . 27927 2 >> 28 1 8.334 . 27.9560392978 . . . . . . . . . . . 27927 2 >> 28 2 4.474 . 141.7025944060 . . . . . . . . . . . 27927 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 . . 8.247 . . 1 1 1 7 GLU H . . . . . . . . . . 23 . 27927 2 >> 1 2 1 . . 4.433 . . 1 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 >> 2 1 1 . . 8.160 . . 1 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 >> 2 2 1 . . 4.419 . . 1 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 >> 3 1 1 . . 7.809 . . 1 1 1 8 TYR H . . . . . . . . . . 56 . 27927 2 >> 3 2 1 . . 4.442 . . 1 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 >> 4 1 1 . . 7.800 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 >> 4 2 1 . . 4.061 . . 1 1 1 12 ILE HA . . . . . . . . . . 34 . 27927 2 >> 5 1 2 . . 8.024 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 >> 5 2 1 . . 4.231 . . 1 1 1 11 GLN HA . . . . . . . . . . 17 . 27927 2 >> 6 1 1 . . 8.227 . . 1 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 >> 6 2 1 . . 3.846 . . 1 1 1 13 GLN HA . . . . . . . . . . 63 . 27927 2 >> 7 1 1 . . 7.807 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 >> 7 2 1 . . 8.002 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 >> 8 1 1 . . 7.809 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 >> 8 2 1 . . 8.246 . . 1 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 >> 9 1 1 . . 7.950 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 >> 9 2 1 . . 8.333 . . 1 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 >> 10 1 1 . . 8.019 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 >> 10 2 1 . . 8.297 . . 1 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 >> 11 1 1 . . 7.949 . . 1 1 1 10 ASP H . . . . . . . . . . 39 . 27927 2 >> 11 2 1 . . 8.147 . . 1 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 >> 12 1 1 . . 7.940 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 >> 12 2 1 . . 8.759 . . 1 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 >> 13 1 1 . . 8.331 . . 1 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 >> 13 2 1 . . 8.154 . . 1 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 >> 14 1 1 . . 8.333 . . 1 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 >> 14 2 1 . . 7.919 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 >> 15 1 1 . . 8.158 . . 1 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 >> 15 2 1 . . 8.335 . . 1 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 >> 16 1 1 . . 8.250 . . 1 1 1 7 GLU H . . . . . . . . . . 23 . 27927 2 >> 16 2 1 . . 7.972 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 >> 17 1 1 . . 8.160 . . 1 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 >> 17 2 1 . . 7.955 . . 1 1 1 10 ASP H . . . . . . . . . . 39 . 27927 2 >> 18 1 1 . . 8.248 . . 1 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 >> 18 2 2 . . 7.812 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 >> 19 1 1 . . 8.024 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 >> 19 2 1 . . 7.822 . . 1 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 >> 20 1 1 . . 8.298 . . 1 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 >> 20 2 1 . . 8.048 . . 1 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 >> 21 1 1 . . 8.756 . . 1 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 >> 21 2 1 . . 7.946 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 >> 22 1 1 . . 8.943 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 >> 22 2 1 . . 7.954 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 >> 23 1 1 . . 7.947 . . 1 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 >> 23 2 1 . . 8.908 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 >> 24 1 1 . . 8.292 . . 1 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 >> 24 2 1 . . 4.110 . . 1 1 1 14 LYS HA . . . . . . . . . . 50 . 27927 2 >> 25 1 1 . . 8.944 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 >> 25 2 1 . . 8.755 . . 1 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 >> 26 1 1 . . 8.756 . . 1 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 >> 26 2 1 . . 8.943 . . 1 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 >> 27 1 1 . . 7.871 . . 1 1 1 8 TYR H . . . . . . . . . . 56 . 27927 2 >> 27 2 1 . . 8.325 . . 1 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 >> 28 1 1 . . 8.334 . . 1 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 >> 28 2 1 . . 4.474 . . 1 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 >> >> stop_ >> >>save_ >> ; save_