data_16178 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MeVamp-4 ; _BMRB_accession_number 16178 _BMRB_flat_file_name bmr16178.str _Entry_type original _Submission_date 2009-02-19 _Accession_date 2009-02-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Du Weihong . . 2 Xu Jia . . 3 Gao Bing . . 4 Zhu Shunyi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-07 original author . stop_ _Original_release_date 2012-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of two linear cationic antimalarial peptides in the scorpion Mesobuthus eupeus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20097251 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Bing . . 2 Xu Jia . . 3 Rodriguezc 'M. del' C. . 4 Lanz-Mendozac Humberto . . 5 Hernandez-Rivas Rosaura . . 6 Du Weihong . . 7 Zhu Shunyi . . stop_ _Journal_abbreviation Biochimie _Journal_volume 92 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 350 _Page_last 359 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MeVamp-4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MeVamp-4 $MeVamp-4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MeVamp-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MeVamp-4 _Molecular_mass 2761.265 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; GRGREFMSNLKEKLSGVKEK MKNS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ARG 3 GLY 4 ARG 5 GLU 6 PHE 7 MET 8 SER 9 ASN 10 LEU 11 LYS 12 GLU 13 LYS 14 LEU 15 SER 16 GLY 17 VAL 18 LYS 19 GLU 20 LYS 21 MET 22 LYS 23 ASN 24 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KFE "Solution Structure Of Meucin-24" 100.00 24 100.00 100.00 5.72e-06 GB ABR20112 "putative bi-functional venom peptide [Mesobuthus eupeus]" 100.00 88 100.00 100.00 2.36e-06 GB ABR21034 "venom antimicrobial peptide-4 [Mesobuthus eupeus]" 100.00 46 100.00 100.00 1.90e-06 GB ABR21074 "putative bifunctional venom peptide-6 [Mesobuthus eupeus]" 100.00 88 100.00 100.00 2.33e-06 GB AIL48788 "potassium channel blocker pMeKTx28-1 [Mesobuthus eupeus]" 100.00 90 100.00 100.00 2.56e-06 SP P0CH57 "RecName: Full=Potassium channel toxin MeuTXKbeta3; AltName: Full=BeL-5; AltName: Full=BeL-69; Contains: RecName: Full=Meucin-24" 100.00 88 100.00 100.00 2.36e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MeVamp-4 'lesser Asian scorpion' 34648 Eukaryota Metazoa Mesobuthus eupeus 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 $MeVamp-4 'chemical synthesis' . Mesobuthus eupeus . . 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 $MeVamp-4 1 mM 'natural abundance' d3-trifluoroethanol 50 % 'natural abundance' H2O 50 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _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 2.7 . pH pressure 1 . atm temperature 298 . 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 trifluoroethanol H 1 'methylene protons' ppm 3.918 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 DQF-COSY' '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 MeVamp-4 _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 GLY HA2 H 3.891 . 2 2 1 1 GLY HA3 H 3.891 . 2 3 2 2 ARG H H 8.707 . 1 4 2 2 ARG HA H 4.362 . 1 5 2 2 ARG HB2 H 1.898 . 2 6 2 2 ARG HB3 H 1.786 . 2 7 2 2 ARG HD2 H 3.106 . 2 8 2 2 ARG HD3 H 3.106 . 2 9 2 2 ARG HG2 H 1.672 . 2 10 2 2 ARG HG3 H 1.619 . 2 11 2 2 ARG HH21 H 7.111 . 2 12 2 2 ARG HH22 H 7.111 . 2 13 3 3 GLY H H 8.566 . 1 14 3 3 GLY HA2 H 4.024 . 2 15 3 3 GLY HA3 H 4.024 . 2 16 4 4 ARG H H 8.252 . 1 17 4 4 ARG HA H 4.182 . 1 18 4 4 ARG HB2 H 1.893 . 2 19 4 4 ARG HD2 H 3.234 . 2 20 4 4 ARG HD3 H 3.234 . 2 21 4 4 ARG HG2 H 1.732 . 2 22 4 4 ARG HG3 H 1.692 . 2 23 4 4 ARG HH21 H 7.209 . 2 24 4 4 ARG HH22 H 7.209 . 2 25 5 5 GLU H H 8.365 . 1 26 5 5 GLU HA H 4.185 . 1 27 5 5 GLU HB2 H 2.164 . 2 28 5 5 GLU HB3 H 2.164 . 2 29 5 5 GLU HG2 H 2.487 . 2 30 5 5 GLU HG3 H 2.487 . 2 31 6 6 PHE H H 8.254 . 1 32 6 6 PHE HA H 4.338 . 1 33 6 6 PHE HB2 H 3.227 . 2 34 6 6 PHE HB3 H 3.227 . 2 35 6 6 PHE HD1 H 7.242 . 3 36 6 6 PHE HD2 H 7.242 . 3 37 6 6 PHE HE1 H 7.335 . 3 38 6 6 PHE HE2 H 7.335 . 3 39 6 6 PHE HZ H 7.293 . 1 40 7 7 MET H H 8.315 . 1 41 7 7 MET HA H 4.313 . 1 42 7 7 MET HB2 H 2.201 . 2 43 7 7 MET HB3 H 2.125 . 2 44 7 7 MET HG2 H 2.679 . 2 45 7 7 MET HG3 H 2.656 . 2 46 8 8 SER H H 8.219 . 1 47 8 8 SER HA H 4.212 . 1 48 8 8 SER HB2 H 4.031 . 2 49 8 8 SER HB3 H 3.974 . 2 50 9 9 ASN H H 8.006 . 1 51 9 9 ASN HA H 4.502 . 1 52 9 9 ASN HB2 H 2.899 . 2 53 9 9 ASN HB3 H 2.725 . 2 54 9 9 ASN HD21 H 7.385 . 2 55 9 9 ASN HD22 H 6.763 . 2 56 10 10 LEU H H 8.118 . 1 57 10 10 LEU HA H 4.017 . 1 58 10 10 LEU HB2 H 1.791 . 2 59 10 10 LEU HB3 H 1.439 . 2 60 10 10 LEU HD1 H 0.901 . 2 61 10 10 LEU HD2 H 0.901 . 2 62 10 10 LEU HG H 1.559 . 1 63 11 11 LYS H H 8.264 . 1 64 11 11 LYS HA H 3.920 . 1 65 11 11 LYS HB2 H 1.950 . 2 66 11 11 LYS HB3 H 1.950 . 2 67 11 11 LYS HD2 H 1.705 . 2 68 11 11 LYS HD3 H 1.705 . 2 69 11 11 LYS HE2 H 2.969 . 2 70 11 11 LYS HE3 H 2.969 . 2 71 11 11 LYS HG2 H 1.612 . 2 72 11 11 LYS HG3 H 1.411 . 2 73 11 11 LYS HZ H 7.595 . 1 74 12 12 GLU H H 8.029 . 1 75 12 12 GLU HA H 4.067 . 1 76 12 12 GLU HB2 H 2.303 . 2 77 12 12 GLU HB3 H 2.224 . 2 78 12 12 GLU HG2 H 2.640 . 2 79 12 12 GLU HG3 H 2.509 . 2 80 13 13 LYS H H 8.184 . 1 81 13 13 LYS HA H 4.120 . 1 82 13 13 LYS HB2 H 2.046 . 2 83 13 13 LYS HB3 H 1.971 . 2 84 13 13 LYS HD2 H 1.683 . 2 85 13 13 LYS HD3 H 1.599 . 2 86 13 13 LYS HE2 H 2.964 . 2 87 13 13 LYS HE3 H 2.964 . 2 88 13 13 LYS HG2 H 1.488 . 2 89 13 13 LYS HG3 H 1.488 . 2 90 14 14 LEU H H 8.695 . 1 91 14 14 LEU HA H 4.161 . 1 92 14 14 LEU HB2 H 1.541 . 2 93 14 14 LEU HB3 H 1.541 . 2 94 14 14 LEU HD1 H 0.873 . 2 95 14 14 LEU HD2 H 0.873 . 2 96 14 14 LEU HG H 1.855 . 1 97 15 15 SER H H 8.143 . 1 98 15 15 SER HA H 4.218 . 1 99 15 15 SER HB2 H 4.086 . 2 100 15 15 SER HB3 H 3.993 . 2 101 16 16 GLY H H 7.916 . 1 102 16 16 GLY HA2 H 3.974 . 2 103 16 16 GLY HA3 H 3.974 . 2 104 17 17 VAL H H 7.886 . 1 105 17 17 VAL HA H 3.750 . 1 106 17 17 VAL HB H 2.269 . 1 107 17 17 VAL HG1 H 1.097 . 2 108 17 17 VAL HG2 H 0.989 . 2 109 18 18 LYS H H 8.150 . 1 110 18 18 LYS HA H 4.049 . 1 111 18 18 LYS HB2 H 1.942 . 2 112 18 18 LYS HB3 H 1.942 . 2 113 18 18 LYS HD2 H 1.715 . 2 114 18 18 LYS HD3 H 1.715 . 2 115 18 18 LYS HE2 H 2.982 . 2 116 18 18 LYS HE3 H 2.982 . 2 117 18 18 LYS HG2 H 1.622 . 2 118 18 18 LYS HG3 H 1.474 . 2 119 19 19 GLU H H 8.017 . 1 120 19 19 GLU HA H 4.147 . 1 121 19 19 GLU HB2 H 2.216 . 2 122 19 19 GLU HB3 H 2.216 . 2 123 19 19 GLU HG2 H 2.574 . 2 124 19 19 GLU HG3 H 2.574 . 2 125 20 20 LYS H H 7.958 . 1 126 20 20 LYS HA H 4.180 . 1 127 20 20 LYS HB2 H 1.988 . 2 128 20 20 LYS HB3 H 1.988 . 2 129 20 20 LYS HD2 H 1.720 . 2 130 20 20 LYS HD3 H 1.720 . 2 131 20 20 LYS HE2 H 3.005 . 2 132 20 20 LYS HE3 H 3.005 . 2 133 20 20 LYS HG2 H 1.583 . 2 134 20 20 LYS HG3 H 1.511 . 2 135 21 21 MET H H 8.217 . 1 136 21 21 MET HA H 4.326 . 1 137 21 21 MET HB2 H 2.163 . 2 138 21 21 MET HB3 H 2.163 . 2 139 21 21 MET HG2 H 2.753 . 2 140 21 21 MET HG3 H 2.595 . 2 141 22 22 LYS H H 7.978 . 1 142 22 22 LYS HA H 4.245 . 1 143 22 22 LYS HB2 H 1.937 . 2 144 22 22 LYS HB3 H 1.937 . 2 145 22 22 LYS HD2 H 1.732 . 2 146 22 22 LYS HD3 H 1.732 . 2 147 22 22 LYS HE2 H 3.039 . 2 148 22 22 LYS HE3 H 3.039 . 2 149 22 22 LYS HG2 H 1.531 . 2 150 22 22 LYS HG3 H 1.531 . 2 151 23 23 ASN H H 8.014 . 1 152 23 23 ASN HA H 4.870 . 1 153 23 23 ASN HB2 H 2.952 . 2 154 23 23 ASN HB3 H 2.784 . 2 155 23 23 ASN HD21 H 7.532 . 2 156 23 23 ASN HD22 H 6.748 . 2 157 24 24 SER H H 7.841 . 1 158 24 24 SER HA H 4.536 . 1 159 24 24 SER HB2 H 4.026 . 2 160 24 24 SER HB3 H 3.979 . 2 stop_ save_ save_spectral_peak_list _Saveframe_category spectral_peak_list _Details . loop_ _Software_label $TOPSPIN stop_ _Experiment_label '2D 1H-1H TOCSY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 2 H D stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list >> _Spectral_peak_list.Entry_ID 16178 >> _Spectral_peak_list.ID 1 >> _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.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> 1 GLY QA 2 ARG HN 4.36 #peak 1 >> 10 LEU HA 14 LEU HN 4.23 #peak 2 >> 14 LEU HN 14 LEU HA 3.17 #peak 3 >> 14 LEU HA 17 VAL HN 3.48 #peak 4 >> 1 GLY QA 3 GLY HN 6.38 #peak 5 >> 2 ARG HN 2 ARG HA 3.89 #peak 6 >> 2 ARG HA 3 GLY HN 3.55 #peak 7 >> 6 PHE QB 7 MET HN 4.49 #peak 12 >> 3 GLY QA 5 GLU HN 6.01 #peak 13 >> 5 GLU HN 5 GLU HA 3.14 #peak 14 >> 2 ARG HA 5 GLU HN 4.32 #peak 15 >> 7 MET HN 7 MET HA 3.21 #peak 16 >> 4 ARG HA 7 MET HN 3.76 #peak 17 >> 3 GLY QA 7 MET HN 5.67 #peak 18 >> 14 LEU HN 17 VAL HB 4.54 #peak 19 >> 13 LYS HB2 14 LEU HN 3.42 #peak 20 >> 13 LYS HB3 14 LEU HN 2.73 #peak 21 >> 2 ARG HN 2 ARG HB3 2.40 #peak 23 >> 14 LEU HN 14 LEU QB 4.65 #peak 24 >> 2 ARG HB2 3 GLY HN 4.01 #peak 25 >> 2 ARG HB3 3 GLY HN 4.26 #peak 26 >> 4 ARG HB2 5 GLU HN 3.42 #peak 33 >> 5 GLU HN 5 GLU QB 4.15 #peak 34 >> 7 MET HN 7 MET HB2 3.49 #peak 36 >> 7 MET HN 7 MET HB3 3.48 #peak 37 >> 7 MET HN 10 LEU HB3 5.50 #peak 38 >> 10 LEU HB3 11 LYS HN 3.70 #peak 40 >> 10 LEU HB2 11 LYS HN 3.39 #peak 42 >> 11 LYS HN 11 LYS QB 3.68 #peak 43 >> 11 LYS HN 11 LYS HA 3.24 #peak 44 >> 9 ASN HA 11 LYS HN 5.50 #peak 45 >> 6 PHE HN 6 PHE QB 4.02 #peak 46 >> 3 GLY QA 6 PHE HN 3.28 #peak 47 >> 4 ARG HN 4 ARG HA 2.90 #peak 48 >> 6 PHE HN 6 PHE HA 3.14 #peak 49 >> 5 GLU QB 6 PHE HN 3.28 #peak 50 >> 21 MET HN 21 MET QB 3.90 #peak 53 >> 17 VAL HA 21 MET HN 4.48 #peak 56 >> 8 SER HN 8 SER HB3 2.40 #peak 57 >> 8 SER HN 8 SER HB2 2.40 #peak 58 >> 21 MET HN 21 MET HA 3.05 #peak 59 >> 13 LYS HN 13 LYS HA 3.08 #peak 62 >> 9 ASN HA 13 LYS HN 4.29 #peak 63 >> 13 LYS HN 13 LYS HB2 3.14 #peak 64 >> 13 LYS HN 13 LYS HB3 2.77 #peak 65 >> 17 VAL HA 18 LYS HN 3.61 #peak 67 >> 17 VAL HB 18 LYS HN 3.68 #peak 68 >> 18 LYS HN 18 LYS QB 3.99 #peak 72 >> 10 LEU HN 10 LEU HB3 3.14 #peak 75 >> 10 LEU HN 10 LEU HB2 3.08 #peak 77 >> 9 ASN HB3 10 LEU HN 3.76 #peak 78 >> 9 ASN HB2 10 LEU HN 3.85 #peak 79 >> 11 LYS HA 15 SER HN 4.14 #peak 80 >> 15 SER HN 15 SER HA 3.08 #peak 81 >> 7 MET HA 10 LEU HN 3.76 #peak 82 >> 9 ASN HA 10 LEU HN 4.14 #peak 83 >> 9 ASN HN 9 ASN HA 3.39 #peak 84 >> 12 GLU HN 12 GLU HB2 3.17 #peak 85 >> 19 GLU HN 19 GLU QB 3.84 #peak 86 >> 9 ASN HA 12 GLU HN 3.21 #peak 89 >> 22 LYS HN 22 LYS HA 3.17 #peak 90 >> 22 LYS HA 23 ASN HN 3.33 #peak 91 >> 6 PHE HA 9 ASN HN 3.95 #peak 92 >> 21 MET HA 22 LYS HN 3.52 #peak 93 >> 19 GLU HN 19 GLU HA 3.02 #peak 94 >> 8 SER HB3 9 ASN HN 3.70 #peak 95 >> 11 LYS HA 12 GLU HN 3.76 #peak 96 >> 17 VAL HA 19 GLU HN 4.76 #peak 97 >> 23 ASN HN 23 ASN HB2 2.40 #peak 98 >> 9 ASN HN 9 ASN HB2 3.05 #peak 99 >> 23 ASN HN 23 ASN HB3 2.49 #peak 100 >> 9 ASN HN 9 ASN HB3 2.46 #peak 101 >> 23 ASN HN 23 ASN HA 4.17 #peak 102 >> 23 ASN HA 24 SER HN 4.38 #peak 103 >> 24 SER HN 24 SER HA 3.89 #peak 104 >> 21 MET HA 24 SER HN 3.60 #peak 105 >> 15 SER HA 16 GLY HN 3.67 #peak 106 >> 16 GLY QA 17 VAL HN 3.28 #peak 107 >> 16 GLY HN 16 GLY QA 3.81 #peak 108 >> 24 SER HN 24 SER HB2 4.51 #peak 109 >> 17 VAL HA 20 LYS HN 3.83 #peak 110 >> 21 MET QB 22 LYS HN 3.28 #peak 111 >> 19 GLU QB 20 LYS HN 3.28 #peak 112 >> 20 LYS HN 20 LYS QB 3.90 #peak 113 >> 22 LYS HN 22 LYS QB 3.31 #peak 114 >> 17 VAL HN 17 VAL HB 2.99 #peak 120 >> 17 VAL HN 17 VAL HA 3.21 #peak 121 >> 23 ASN HB2 24 SER HN 4.32 #peak 122 >> 23 ASN HB3 24 SER HN 3.95 #peak 123 >> 11 LYS HA 13 LYS HN 4.57 #peak 132 >> 10 LEU HA 13 LYS HN 3.43 #peak 136 >> 6 PHE QB 9 ASN HN 5.92 #peak 137 >> 11 LYS HA 14 LEU HN 3.16 #peak 141 >> 12 GLU HB3 13 LYS HN 3.69 #peak 143 >> 12 GLU HB2 13 LYS HN 3.45 #peak 144 >> 3 GLY HN 3 GLY QA 4.15 #peak 148 >> 4 ARG HN 4 ARG HB2 2.40 #peak 150 >> 22 LYS HA 24 SER HN 4.82 #peak 156 >> 14 LEU HN 16 GLY HN 4.79 #peak 169 >> 12 GLU HN 14 LEU HN 5.22 #peak 170 >> 2 ARG HN 3 GLY HN 5.22 #peak 171 >> 3 GLY HN 4 ARG HN 3.76 #peak 172 >> 15 SER HN 15 SER HB3 2.40 #peak 202 >> 10 LEU HN 11 LYS HN 3.92 #peak 206 >> 11 LYS HN 12 GLU HN 3.52 #peak 207 >> 12 GLU HN 13 LYS HN 2.51 #peak 208 >> 18 LYS HN 19 GLU HN 2.55 #peak 209 >> 17 VAL HN 18 LYS HN 3.02 #peak 210 >> 9 ASN HN 10 LEU HN 3.61 #peak 211 >> 13 LYS HN 14 LEU HN 3.11 #peak 212 >> 14 LEU HN 15 SER HN 3.14 #peak 213 >> 3 GLY QA 6 PHE QB 6.42 #peak 216 >> 20 LYS HA 23 ASN HB2 3.17 #peak 220 >> 20 LYS HA 23 ASN HB3 3.89 #peak 221 >> 6 PHE HA 9 ASN HB2 3.73 #peak 223 >> 6 PHE HA 9 ASN HB3 2.55 #peak 225 >> 18 LYS HA 21 MET QB 3.28 #peak 233 >> 9 ASN HA 12 GLU HB3 3.67 #peak 234 >> 9 ASN HA 12 GLU HB2 2.96 #peak 235 >> 7 MET HA 10 LEU HB3 3.70 #peak 236 >> 7 MET HA 10 LEU HB2 3.21 #peak 240 >> 14 LEU HA 14 LEU QB 3.90 #peak 241 >> 11 LYS HA 14 LEU QB 5.02 #peak 244 >> 17 VAL HA 20 LYS QB 4.46 #peak 248 >> 13 LYS HA 14 LEU HN 3.39 #peak 268 >> 23 ASN HN 24 SER HN 4.51 #peak 269 >> 16 GLY QA 19 GLU QB 5.99 #peak 271 >> 10 LEU HA 13 LYS HB2 3.48 #peak 272 >> 18 LYS QB 19 GLU HN 3.28 #peak 281 >> 13 LYS HA 16 GLY HN 3.36 #peak 282 >> 20 LYS QB 21 MET HN 3.28 #peak 284 >> 18 LYS HA 22 LYS HN 2.40 #peak 286 >> 20 LYS HA 24 SER HN 3.65 #peak 287 >> 16 GLY QA 20 LYS HN 5.26 #peak 288 >> 14 LEU HA 15 SER HN 3.35 #peak 289 >> 13 LYS HB3 17 VAL HN 4.47 #peak 290 >> 3 GLY HN 4 ARG QD 6.38 #peak 8 >> 2 ARG QD 3 GLY HN 6.38 #peak 9 >> 4 ARG QD 5 GLU HN 6.38 #peak 10 >> 2 ARG HN 2 ARG QD 5.85 #peak 11 >> 14 LEU HN 14 LEU HG 2.90 #peak 22 >> 2 ARG HG2 3 GLY HN 2.83 #peak 29 >> 2 ARG HG3 3 GLY HN 5.10 #peak 30 >> 4 ARG HG3 5 GLU HN 4.88 #peak 31 >> 4 ARG HG2 5 GLU HN 4.66 #peak 32 >> 5 GLU HN 5 GLU QG 6.26 #peak 35 >> 11 LYS HN 11 LYS HG2 4.60 #peak 41 >> 5 GLU QG 6 PHE HN 6.38 #peak 51 >> 21 MET HN 21 MET HG2 4.26 #peak 60 >> 21 MET HN 21 MET HG3 4.60 #peak 61 >> 12 GLU HG3 13 LYS HN 5.50 #peak 66 >> 18 LYS HN 18 LYS HG2 4.35 #peak 71 >> 18 LYS HN 19 GLU QG 6.38 #peak 73 >> 10 LEU HN 10 LEU HG 4.85 #peak 76 >> 23 ASN HB2 23 ASN HD21 5.50 #peak 124 >> 23 ASN HB3 23 ASN HD21 5.04 #peak 125 >> 19 GLU QG 23 ASN HD21 6.38 #peak 126 >> 19 GLU QB 23 ASN HD21 6.38 #peak 127 >> 22 LYS QB 23 ASN HD21 6.38 #peak 128 >> 19 GLU HA 23 ASN HD21 5.50 #peak 129 >> 6 PHE QB 6 PHE HD 7.39 #peak 130 >> 6 PHE HA 6 PHE HD 6.79 #peak 131 >> 6 PHE HD 7 MET HN 7.63 #peak 133 >> 6 PHE HN 6 PHE HD 7.63 #peak 134 >> 9 ASN HN 9 ASN HD21 5.50 #peak 135 >> 19 GLU HN 19 GLU QG 3.93 #peak 138 >> 12 GLU HN 12 GLU HG2 3.43 #peak 139 >> 12 GLU HG2 13 LYS HN 5.50 #peak 140 >> 18 LYS HN 18 LYS QD 6.38 #peak 145 >> 2 ARG HN 2 ARG HG2 2.93 #peak 147 >> 4 ARG HN 4 ARG HG3 2.40 #peak 149 >> 13 LYS HN 13 LYS HD3 4.72 #peak 151 >> 13 LYS HN 13 LYS HD2 5.50 #peak 152 >> 7 MET HN 7 MET HG3 3.58 #peak 153 >> 7 MET HN 7 MET HG2 3.98 #peak 154 >> 12 GLU HN 12 GLU HG3 2.40 #peak 155 >> 9 ASN HB3 9 ASN HD21 5.50 #peak 157 >> 9 ASN HB2 9 ASN HD21 5.19 #peak 158 >> 5 GLU QG 9 ASN HD21 6.38 #peak 159 >> 20 LYS HN 20 LYS QD 6.38 #peak 160 >> 22 LYS HN 22 LYS QD 6.38 #peak 161 >> 20 LYS HN 20 LYS HG3 5.07 #peak 162 >> 22 LYS HN 22 LYS QG 6.32 #peak 163 >> 20 LYS HN 20 LYS HG2 4.91 #peak 164 >> 13 LYS HN 13 LYS QG 6.38 #peak 165 >> 18 LYS HN 18 LYS HG3 4.51 #peak 166 >> 3 GLY HN 6 PHE HD 7.63 #peak 168 >> 6 PHE HE 10 LEU HB3 7.63 #peak 175 >> 6 PHE HD 10 LEU HB3 7.63 #peak 176 >> 11 LYS QD 11 LYS HNZ 7.36 #peak 177 >> 5 GLU QB 9 ASN HD21 6.38 #peak 178 >> 4 ARG HB2 4 ARG QD 6.37 #peak 179 >> 4 ARG HG2 4 ARG QD 6.37 #peak 180 >> 4 ARG HG3 4 ARG QD 4.83 #peak 189 >> 4 ARG HG2 4 ARG QD 4.71 #peak 190 >> 2 ARG HB3 2 ARG QD 6.38 #peak 191 >> 2 ARG QD 4 ARG HB2 6.38 #peak 192 >> 22 LYS QD 22 LYS QE 4.16 #peak 193 >> 11 LYS QD 11 LYS QE 4.94 #peak 194 >> 5 GLU QG 9 ASN HD22 6.38 #peak 197 >> 19 GLU QG 23 ASN HD22 6.38 #peak 198 >> 2 ARG HB3 2 ARG QD 4.66 #peak 199 >> 2 ARG HB2 2 ARG QD 6.37 #peak 200 >> 14 LEU HG 15 SER HN 4.38 #peak 201 >> 6 PHE HA 9 ASN HD21 5.50 #peak 203 >> 6 PHE HA 6 PHE HE 7.42 #peak 204 >> 9 ASN HA 9 ASN HD21 5.50 #peak 205 >> 9 ASN HB3 9 ASN HD22 3.31 #peak 214 >> 23 ASN HB3 23 ASN HD22 5.50 #peak 215 >> 4 ARG HA 4 ARG QD 6.38 #peak 218 >> 2 ARG HA 2 ARG QD 6.38 #peak 219 >> 4 ARG HA 7 MET HG2 5.50 #peak 222 >> 21 MET HA 21 MET HG2 3.12 #peak 224 >> 18 LYS HA 21 MET HG2 3.61 #peak 226 >> 6 PHE QB 7 MET HG2 6.38 #peak 227 >> 11 LYS QB 11 LYS QE 7.26 #peak 229 >> 12 GLU HA 12 GLU HG3 2.84 #peak 230 >> 16 GLY QA 19 GLU QG 4.94 #peak 231 >> 19 GLU HA 19 GLU QG 5.61 #peak 232 >> 22 LYS HA 22 LYS QG 6.14 #peak 237 >> 2 ARG HA 2 ARG HG3 4.85 #peak 238 >> 2 ARG HA 2 ARG HG2 5.13 #peak 239 >> 11 LYS HA 11 LYS QD 6.38 #peak 242 >> 11 LYS HA 11 LYS HG2 4.32 #peak 243 >> 11 LYS HA 11 LYS HG3 4.42 #peak 245 >> 17 VAL HA 20 LYS HG2 5.50 #peak 246 >> 17 VAL HA 20 LYS QD 6.38 #peak 247 >> 13 LYS QG 13 LYS QE 4.72 #peak 249 >> 11 LYS HG3 11 LYS QE 6.38 #peak 250 >> 21 MET HG2 22 LYS HN 2.40 #peak 265 >> 19 GLU QG 20 LYS HN 3.28 #peak 266 >> 7 MET HG2 8 SER HN 2.40 #peak 267 >> 6 PHE QB 6 PHE HE 8.51 #peak 270 >> 11 LYS HA 14 LEU HG 3.86 #peak 273 >> 4 ARG HB2 4 ARG QD 5.58 #peak 274 >> 20 LYS QB 21 MET HG2 6.38 #peak 277 >> 20 LYS QD 20 LYS QE 4.41 #peak 279 >> 20 LYS QB 20 LYS QE 5.09 #peak 280 >> 6 PHE HD 7 MET HG2 7.63 #peak 283 >> 13 LYS QE 14 LEU HN 6.38 #peak 285 >> 14 LEU HN 17 VAL QG1 6.52 #peak 27 >> 14 LEU HN 14 LEU QQD 7.04 #peak 28 >> 7 MET HN 10 LEU QQD 7.60 #peak 39 >> 10 LEU QQD 11 LYS HN 7.60 #peak 52 >> 17 VAL QG1 21 MET HN 6.52 #peak 54 >> 17 VAL QG2 21 MET HN 6.52 #peak 55 >> 17 VAL QG1 18 LYS HN 6.18 #peak 69 >> 17 VAL QG2 18 LYS HN 5.87 #peak 70 >> 10 LEU HN 10 LEU QQD 7.19 #peak 74 >> 17 VAL QG1 19 GLU HN 6.52 #peak 87 >> 17 VAL QG2 19 GLU HN 6.52 #peak 88 >> 17 VAL QG1 20 LYS HN 6.52 #peak 115 >> 17 VAL QG2 20 LYS HN 4.35 #peak 116 >> 17 VAL HN 17 VAL QG1 4.38 #peak 117 >> 17 VAL HN 17 VAL QG2 5.84 #peak 118 >> 14 LEU QQD 17 VAL HN 7.60 #peak 119 >> 10 LEU QQD 13 LYS HN 5.43 #peak 142 >> 14 LEU QQD 15 SER HN 5.18 #peak 146 >> 10 LEU QQD 12 GLU HN 7.60 #peak 167 >> 6 PHE HE 10 LEU QQD 9.73 #peak 173 >> 6 PHE HD 10 LEU QQD 9.73 #peak 174 >> 11 LYS QE 14 LEU QQD 8.48 #peak 181 >> 17 VAL QG2 21 MET HG3 5.93 #peak 184 >> 10 LEU QQD 13 LYS HB2 7.60 #peak 186 >> 17 VAL QG2 20 LYS QB 7.40 #peak 187 >> 10 LEU QQD 11 LYS QB 8.48 #peak 188 >> 17 VAL QG1 20 LYS QB 7.40 #peak 228 >> 14 LEU QQD 17 VAL HB 7.60 #peak 251 >> 17 VAL QG1 21 MET HG3 5.56 #peak 252 >> 7 MET HG2 10 LEU QQD 7.60 #peak 254 >> 17 VAL QG2 21 MET HG2 5.59 #peak 255 >> 17 VAL QG1 21 MET HG2 5.68 #peak 256 >> 17 VAL HA 17 VAL QG1 4.23 #peak 257 >> 17 VAL HA 17 VAL QG2 4.53 #peak 258 >> 10 LEU HA 10 LEU QQD 6.08 #peak 259 >> 17 VAL QG2 18 LYS HA 6.02 #peak 260 >> 14 LEU HA 17 VAL QG2 6.02 #peak 261 >> 14 LEU HA 17 VAL QG1 5.09 #peak 262 >> 14 LEU HA 14 LEU QQD 5.89 #peak 263 >> 7 MET HA 10 LEU QQD 7.60 #peak 264 >> 17 VAL QG2 21 MET QB 7.40 #peak 275 >> 6 PHE HZ 10 LEU QQD 7.60 #peak 278 >> >># aco >> 4 ARG PHI -170 -10 >> 17 VAL PHI -170 -10 >> 23 ASN PHI -170 -10 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 2 H 2 D . 6132.234 . . . 16178 1 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 1 $TOPSPIN . . 16178 1 >> >> stop_ >> >>save_ >> ; save_