data_26862 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Stress Response Peptide-2; Manduca Sexta ; _BMRB_accession_number 26862 _BMRB_flat_file_name bmr26862.str _Entry_type original _Submission_date 2016-07-27 _Accession_date 2016-07-27 _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 Schrag Lynn G. . 2 Cao Xiaolong . . 3 Herrera Alvaro I. . 4 Wang Yang . . 5 Jiang Haobo . . 6 Prakash Om . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-14 update BMRB 'update entry citation' 2017-02-16 original author 'original release' stop_ _Original_release_date 2016-07-27 save_ ############################# # Citation for this entry # ############################# save_MsSRP2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Expression Profile of an Insect Cytokine: Manduca sexta Stress Response Peptide-2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27903232 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schrag 'Lynn Goss' G. . 2 Cao Xiaolong . . 3 Herrera 'Alvaro Ivan' I. . 4 Wang Yang . . 5 Jiang Haobo . . 6 Prakash Om . . stop_ _Journal_abbreviation 'Protein Pept. Lett.' _Journal_volume 24 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3 _Page_last 11 _Year 2017 _Details . loop_ _Keyword '2D Nuclear Magneitc Resonance' Cytokine 'Epidermal Growth Factor' Hemolymph 'Insect Immunity' Prophenoloxidase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Stress Response Peptide-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Stress Response Peptide-2' $Stress_Response_Peptide-2 stop_ _System_molecular_weight 2751.12 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Stress_Response_Peptide-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Stress_Response_Peptide-2 _Molecular_mass 2751.12 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 25 _Mol_residue_sequence ; FGVKDGKCPSGRVRRLGICV PDDDY ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 GLY 3 VAL 4 LYS 5 ASP 6 GLY 7 LYS 8 CYS 9 PRO 10 SER 11 GLY 12 ARG 13 VAL 14 ARG 15 ARG 16 LEU 17 GLY 18 ILE 19 CYS 20 VAL 21 PRO 22 ASP 23 ASP 24 ASP 25 TYR 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 $Stress_Response_Peptide-2 'tobacco hornworm' 7130 Eukaryota Metazoa Manduca Sexta 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 _Details $Stress_Response_Peptide-2 'chemical synthesis' . . . . . Fmoc 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 $Stress_Response_Peptide-2 2.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 3.2 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address Vranken . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details NMRFAM-Sparky save_ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Oxford _Field_strength 500 _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_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _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 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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' '2D DQF-COSY' 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 'Stress Response Peptide-2' _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 PHE HA H 4.290 0.001 1 2 1 1 PHE HB2 H 3.306 0.006 2 3 1 1 PHE HB3 H 3.246 0.002 2 4 1 1 PHE HD1 H 7.298 0.004 1 5 1 1 PHE HD2 H 7.298 0.004 1 6 1 1 PHE HE1 H 7.392 0.010 1 7 1 1 PHE HE2 H 7.392 0.010 1 8 1 1 PHE HZ H 7.419 0.000 1 9 2 2 GLY H H 8.559 0.000 1 10 2 2 GLY HA2 H 3.968 0.008 1 11 3 3 VAL H H 8.207 0.003 1 12 3 3 VAL HA H 4.101 0.005 1 13 3 3 VAL HB H 2.053 0.002 1 14 3 3 VAL HG1 H 0.922 0.006 1 15 4 4 LYS H H 8.489 0.002 1 16 4 4 LYS HA H 4.305 0.001 1 17 4 4 LYS HB2 H 1.798 0.000 2 18 4 4 LYS HB3 H 1.754 0.007 2 19 4 4 LYS HG2 H 1.374 0.002 2 20 4 4 LYS HG3 H 1.434 0.000 2 21 4 4 LYS HD2 H 1.659 0.007 1 22 4 4 LYS HE2 H 2.958 0.007 2 23 5 5 ASP H H 8.361 0.006 1 24 5 5 ASP HA H 4.635 0.003 1 25 5 5 ASP HB2 H 2.803 0.000 1 26 6 6 GLY H H 8.309 0.011 1 27 6 6 GLY HA2 H 3.968 0.013 2 28 6 6 GLY HA3 H 3.848 0.010 2 29 7 7 LYS H H 8.221 0.003 1 30 7 7 LYS HA H 4.269 0.004 1 31 7 7 LYS HB2 H 1.790 0.002 2 32 7 7 LYS HB3 H 1.737 0.002 2 33 7 7 LYS HG2 H 1.432 0.002 2 34 7 7 LYS HD2 H 1.662 0.005 2 35 7 7 LYS HE2 H 2.993 0.000 1 36 7 7 LYS HZ H 7.503 0.000 1 37 8 8 CYS H H 8.723 0.002 1 38 8 8 CYS HA H 5.028 0.004 1 39 8 8 CYS HB2 H 2.756 0.008 2 40 8 8 CYS HB3 H 2.533 0.007 2 41 9 9 PRO HA H 4.470 0.005 1 42 9 9 PRO HB2 H 2.372 0.009 2 43 9 9 PRO HB3 H 2.010 0.005 2 44 9 9 PRO HG2 H 1.902 0.007 2 45 9 9 PRO HG3 H 1.739 0.003 2 46 9 9 PRO HD2 H 4.003 0.005 2 47 9 9 PRO HD3 H 3.248 0.005 2 48 10 10 SER H H 8.813 0.003 1 49 10 10 SER HA H 4.191 0.004 1 50 10 10 SER HB2 H 3.861 0.000 2 51 11 11 GLY H H 8.320 0.002 1 52 11 11 GLY HA2 H 4.194 0.003 1 53 11 11 GLY HA3 H 3.705 0.011 1 54 12 12 ARG H H 8.048 0.003 1 55 12 12 ARG HA H 5.069 0.005 1 56 12 12 ARG HB2 H 1.712 0.006 1 57 12 12 ARG HG2 H 1.445 0.005 2 58 12 12 ARG HG3 H 1.225 0.004 2 59 12 12 ARG HD2 H 2.816 0.004 2 60 12 12 ARG HD3 H 2.749 0.006 2 61 12 12 ARG HE H 7.163 0.002 1 62 13 13 VAL H H 9.100 0.003 1 63 13 13 VAL HA H 4.463 0.001 1 64 13 13 VAL HB H 2.008 0.004 1 65 13 13 VAL HG1 H 0.824 0.002 1 66 14 14 ARG H H 8.517 0.002 1 67 14 14 ARG HA H 4.597 0.002 1 68 14 14 ARG HB2 H 1.764 0.003 2 69 14 14 ARG HG2 H 1.315 0.003 1 70 14 14 ARG HG3 H 1.498 0.005 2 71 14 14 ARG HD2 H 2.938 0.005 1 72 14 14 ARG HE H 7.120 0.015 1 73 15 15 ARG H H 9.315 0.001 1 74 15 15 ARG HA H 4.508 0.004 1 75 15 15 ARG HB2 H 1.720 0.005 2 76 15 15 ARG HB3 H 1.595 0.014 2 77 15 15 ARG HG2 H 1.445 0.007 1 78 15 15 ARG HG3 H 1.500 0.007 1 79 15 15 ARG HD2 H 3.144 0.007 2 80 15 15 ARG HD3 H 3.066 0.010 2 81 15 15 ARG HE H 7.164 0.002 1 82 16 16 LEU H H 9.439 0.002 1 83 16 16 LEU HA H 3.925 0.005 1 84 16 16 LEU HB2 H 1.915 0.006 2 85 16 16 LEU HB3 H 1.622 0.006 2 86 16 16 LEU HG H 1.535 0.008 1 87 16 16 LEU HD1 H 0.916 0.005 2 88 16 16 LEU HD2 H 0.875 0.003 2 89 17 17 GLY H H 8.432 0.002 1 90 17 17 GLY HA2 H 4.231 0.005 1 91 17 17 GLY HA3 H 3.600 0.005 1 92 18 18 ILE H H 7.775 0.003 1 93 18 18 ILE HA H 4.539 0.003 1 94 18 18 ILE HB H 1.870 0.005 1 95 18 18 ILE HG12 H 1.453 0.003 1 96 18 18 ILE HG2 H 1.140 0.005 1 97 18 18 ILE HD1 H 0.900 0.003 1 98 19 19 CYS H H 8.852 0.001 1 99 19 19 CYS HA H 5.008 0.008 1 100 19 19 CYS HB2 H 3.056 0.005 2 101 19 19 CYS HB3 H 2.523 0.009 2 102 20 20 VAL H H 9.448 0.004 1 103 20 20 VAL HA H 4.863 0.000 1 104 20 20 VAL HB H 2.311 0.003 1 105 20 20 VAL HG1 H 1.001 0.002 2 106 20 20 VAL HG2 H 0.895 0.003 2 107 21 21 PRO HA H 4.464 0.005 1 108 21 21 PRO HB2 H 2.362 0.008 2 109 21 21 PRO HB3 H 2.163 0.004 2 110 21 21 PRO HG2 H 1.866 0.003 1 111 21 21 PRO HD2 H 3.810 0.002 2 112 21 21 PRO HD3 H 3.663 0.004 2 113 22 22 ASP H H 8.336 0.004 1 114 22 22 ASP HA H 4.493 0.001 1 115 22 22 ASP HB2 H 2.718 0.005 1 116 23 23 ASP H H 8.277 0.002 1 117 23 23 ASP HA H 4.633 0.004 1 118 23 23 ASP HB2 H 2.830 0.008 1 119 24 24 ASP H H 8.114 0.002 1 120 24 24 ASP HA H 4.700 0.000 1 121 24 24 ASP HB2 H 2.819 0.002 2 122 24 24 ASP HB3 H 2.705 0.003 2 123 25 25 TYR H H 7.839 0.002 1 124 25 25 TYR HA H 4.466 0.004 1 125 25 25 TYR HB2 H 3.081 0.006 2 126 25 25 TYR HB3 H 2.934 0.005 2 127 25 25 TYR HD1 H 7.077 0.002 1 128 25 25 TYR HD2 H 7.077 0.002 1 129 25 25 TYR HE1 H 6.832 0.000 1 130 25 25 TYR HE2 H 6.832 0.000 1 stop_ save_