data_4195 #Corrected using PDB structure: 1HC9A # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 70 K H 11.21 8.23 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.04 N/A N/A N/A N/A 0.02 # #bmr4195.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4195.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 N/A N/A N/A N/A +/-0.09 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.870 N/A N/A N/A N/A 0.598 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.154 N/A N/A N/A N/A 0.339 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the Complex of Alpha-Bungarotoxin with a Library-Derived Peptide (NMR, Average Structure) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scherf T. . . 2 Balass M. . . 3 Fuchs S. . . 4 Katchalski-Katzir E. . . 5 Anglister J. . . stop_ _BMRB_accession_number 4195 _BMRB_flat_file_name bmr4195.str _Entry_type new _Submission_date 1998-09-07 _Accession_date 1998-09-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 411 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-22 update BMRB 'second polypeptide chain added' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Scherf, T., Balass M., Fuchs, S., Katchalski-Katzir, E., and Anglister, J., "Three-Dimensional Solution Structure of the Complex of Alpha-Bungarotoxin with a Library-Derived Peptide", Proc. Natl. Acad. Sci. U.S.A. 94, 6059-6064 (1997). ; _Citation_title ; Three-Dimensional Solution Structure of the Complex of Alpha-Bungarotoxin with a Library-Derived Peptide ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 97322323 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scherf T. . . 2 Balass M. . . 3 Fuchs S. . . 4 Katchalski-Katzir E. . . 5 Anglister J. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences,USA' _Journal_volume 94 _Page_first 6059 _Page_last 6064 _Year 1997 loop_ _Keyword Complex Alpha-Bungarotoxin 'Library Peptide' stop_ save_ ################################## # Molecular system description # ################################## save_system_a-BTX_library_peptide _Saveframe_category molecular_system _Mol_system_name 'Alpha-Bungaratoxin/Library Peptide Complex' _Abbreviation_common 'a-BTX library peptide' loop_ _Mol_system_component_name _Mol_label a-BTX $a-BTX 'library peptide' $library_peptide stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1HN7 "A Chain A, Nmr Structure Of The Complex Between A-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor" . PDB 1ABT "A Chain A, Alpha-Bungarotoxin Complexed With The 185 - 196 Fragment Of The Alpha-Subunit Of The Torpedo Nicotinic Acetylcholine Receptor (Nmr, 4 Structures)" . PDB 1BXP "A Chain A, Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, 20 Structures" . PDB 2BTX "A Chain A, Solution Nmr Structure Of The Complex Of Alpha-Bungarotoxin With A Library Derived Peptide, Nmr, Minimized Average Structure" . PDB 1HOY "A Chain A, Nmr Structure Of The Complex Between A-Bungarotoxin And A Mimotope Of The Nicotinic Acetilcholine Receptor" . stop_ save_ ######################## # Monomeric polymers # ######################## save_a-BTX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha-Bungarotoxin _Abbreviation_common a-BTX ############################## # Polymer residue sequence # ############################## _Sequence_citation_label $citation_one ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; IVCHTTATSPISAVTCPPGE NLCYRKMWCDAFCSSRGKVV ELGCAATCPSKKPYEEVTCC STDKCNPHPKQRPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . ILE 2 . VAL 3 . CYS 4 . HIS 5 . THR 6 . THR 7 . ALA 8 . THR 9 . SER 10 . PRO 11 . ILE 12 . SER 13 . ALA 14 . VAL 15 . THR 16 . CYS 17 . PRO 18 . PRO 19 . GLY 20 . GLU 21 . ASN 22 . LEU 23 . CYS 24 . TYR 25 . ARG 26 . LYS 27 . MET 28 . TRP 29 . CYS 30 . ASP 31 . ALA 32 . PHE 33 . CYS 34 . SER 35 . SER 36 . ARG 37 . GLY 38 . LYS 39 . VAL 40 . VAL 41 . GLU 42 . LEU 43 . GLY 44 . CYS 45 . ALA 46 . ALA 47 . THR 48 . CYS 49 . PRO 50 . SER 51 . LYS 52 . LYS 53 . PRO 54 . TYR 55 . GLU 56 . GLU 57 . VAL 58 . THR 59 . CYS 60 . CYS 61 . SER 62 . THR 63 . ASP 64 . LYS 65 . CYS 66 . ASN 67 . PRO 68 . HIS 69 . PRO 70 . LYS 71 . GLN 72 . ARG 73 . PRO 74 . GLY stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 1ABT "A Chain A, Alpha-Bungarotoxin Complexed WithThe 185 - 196 Fragment Of The Alpha-Subunit Of TheTorpedo Nicotinic Acetylcholine Receptor (Nmr, 4Structures)" 100.00 74 100 100 6e-42 PDB 1BXP "A Chain A, Solution Nmr Structure Of TheComplex Of Alpha-Bungarotoxin With A Library DerivedPeptide, 20 Structures" 100.00 74 100 100 6e-42 PDB 1HAA "A Chain A, A Beta-Hairpin Structure In A13-Mer Peptide That Binds A-Bungarotoxin With HighAffinity And Neutralizes Its Toxicity" 100.00 74 100 100 2e-41 PDB 1HAJ "A Chain A, A Beta-Hairpin Structure In A13-Mer Peptide That Binds A-Bungarotoxin With HighAffinity And Neutralizes Its Toxicity" 100.00 74 100 100 2e-41 PDB 1HC9 "B Chain B, A-Bungarotoxin Complexed WithHigh Affinity Peptide" 100.00 74 100 100 6e-42 PDB 1HOY "A Chain A, Nmr Structure Of The ComplexBetween A-Bungarotoxin And A Mimotope Of The NicotinicAcetilcholine Receptor" 100.00 74 100 100 2e-41 PDB 1IDG "A Chain A, The Nmr Solution Structure Of TheComplex Formed Between Alpha-Bungarotoxin And An 18merCognate Peptide" 100.00 74 100 100 6e-42 PDB 1IDH "A Chain A, The Nmr Solution Structure Of TheComplex Formed Between Alpha-Bungarotoxin And An 18merCognate Peptide" 100.00 74 100 100 6e-42 PDB 1IDI "A Chain A, The Nmr Solution Structure OfAlpha-Bungarotoxin" 100.00 74 100 100 6e-42 PDB 1IDL "A Chain A, The Nmr Solution Structure OfAlpha-Bungarotoxin" 100.00 74 100 100 6e-42 PDB 1IK8 "A Chain A, Nmr Structure OfAlpha-Bungarotoxin" 100.00 74 100 100 6e-42 PDB 1IKC "A Chain A, Nmr Structure OfAlpha-Bungarotoxin" 100.00 74 100 100 6e-42 PDB 1JBD "A Chain A, Nmr Structure Of The ComplexBetween Alpha-Bungarotoxin And A Mimotope Of TheNicotinic Acetilcholine Receptor" 100.00 74 100 100 2e-41 PDB 1KC4 "A Chain A, Nmr Structural Analysis Of TheComplex Formed Between Alpha- Bungarotoxin And ThePrincipal Alpha-Neurotoxin Binding Sequence On TheAlpha7 Subunit Of A Neuronal Nicotinic AcetylcholineReceptor" 100.00 74 100 100 6e-42 PDB 1KFH "A Chain A, Solution Structure OfAlpha-Bungarotoxin By Nmr Spectroscopy" 100.00 74 100 100 6e-42 PDB 1KL8 "A Chain A, Nmr Structural Analysis Of TheComplex Formed Between Alpha- Bungarotoxin And ThePrincipal Alpha-Neurotoxin Binding Sequence On TheAlpha7 Subunit Of A Neuronal Nicotinic AcetylcholineReceptor" 100.00 74 100 100 6e-42 PDB 1L4W "A Chain A, Nmr Structure Of An Achr-Peptide(Torpedo Californica, Alpha-Subunit Residues 182-202)In Complex With Alpha- Bungarotoxin" 100.00 74 100 100 6e-42 PDB 1LJZ "A Chain A, Nmr Structure Of An Achr-Peptide(Torpedo Californica, Alpha-Subunit Residues 182-202)In Complex With Alpha- Bungarotoxin" 100.00 74 100 100 6e-42 PDB 1RGJ "A Chain A, Nmr Structure Of The ComplexBetween Alpha-Bungarotoxin And Mimotope Of TheNicotinic Acetilcholine Receptor With Enhanced Activity" 100.00 74 100 100 6e-42 PDB 2BTX "A Chain A, Solution Nmr Structure Of TheComplex Of Alpha-Bungarotoxin With A Library DerivedPeptide, Nmr, Minimized Average Structure" 100.00 74 100 100 6e-42 PDB 1HC9 "A Chain A, A-Bungarotoxin Complexed WithHigh Affinity Peptide" 100.00 74 99 99 2e-41 EMBL CAA63045.1 "alpha-bungarotoxin [Bungarusmulticinctus]" 100.00 74 100 100 6e-42 EMBL CAD92407.1 "alpha-bungarotoxin (A31) precursor[Bungarus candidus]" 97.37 76 100 100 6e-42 EMBL CAB51842.1 "alpha-bungarotoxin (A31) [Bungarusmulticinctus]" 77.89 95 100 100 6e-42 EMBL CAB51844.1 "alpha-bungarotoxin (A31) [Bungarusmulticinctus]" 77.89 95 100 100 6e-42 EMBL CAB51841.1 "alpha-bungarotoxin (V31) [Bungarusmulticinctus]" 77.89 95 99 99 2e-41 GenBank AAC83991.1 "alpha-bungarotoxin isoform R8 [Bungarusmulticinctus]" 100.00 74 100 100 6e-42 GenBank AAC83992.1 "alpha-bungarotoxin isoform R9 [Bungarusmulticinctus]" 100.00 74 100 100 6e-42 GenBank AAC83993.1 "alpha-bungarotoxin isoform R10[Bungarus multicinctus]" 100.00 74 100 100 6e-42 GenBank AAC83994.1 "alpha-bungarotoxin isoform R11[Bungarus multicinctus]" 100.00 74 100 100 6e-42 GenBank AAC83981.1 "alpha-bungarotoxin precursor [Bungarusmulticinctus]" 77.89 95 100 100 6e-42 PIR N2KF1U "long neurotoxin 1 - many-banded krait" 100.00 74 100 100 6e-42 SWISS-PROT P60615 "NXLA_BUNMU Alpha-bungarotoxin, isoform A31precursor (Alpha-BTX A31) (BGTX A31) (Alpha-Bgt(A31))(Long neurotoxin 1)" 77.89 95 100 100 6e-42 SWISS-PROT Q7T3J2 "NXLA_BUNCA Alpha-bungarotoxin, isoform A31precursor" 77.89 95 100 100 6e-42 SWISS-PROT P60616 "NXLV_BUNMU Alpha-bungarotoxin, isoform V31precursor (Alpha-BTX V31) (BGTX V31) (Alpha-Bgt(V31))(Long neurotoxin 1)" 77.89 95 99 99 2e-41 stop_ save_ save_library_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'synthetic peptide' _Residue_count 13 _Mol_residue_sequence ; MRYYESSLKSYPD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . ARG 3 . TYR 4 . TYR 5 . GLU 6 . SER 7 . SER 8 . LEU 9 . LYS 10 . SER 11 . TYR 12 . PRO 13 . ASP stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 1BXP "B Chain B, Solution Nmr Structure Of TheComplex Of Alpha-Bungarotoxin With A Library DerivedPeptide, 20 Structures" 100.00 13 100 100 4.9 PDB 2BTX "B Chain B, Solution Nmr Structure Of TheComplex Of Alpha-Bungarotoxin With A Library DerivedPeptide, Nmr, Minimized Average Structure" 100.00 13 100 100 4.9 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $a-BTX 'Snake: Banded Krait' 8616 Eukaryota Metazoa Bungarus multicinctus venom stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $a-BTX 'purified from the natural source' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $a-BTX 5 mM . . . $library_peptide 5 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM _Field_strength 500 save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment_one _Saveframe_category NMR_applied_experiment _Sample_label $sample_one _Details ; COSY DQF-COSY TOCSY NOESY ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.1 n/a temperature 303 1 K ionic_strength 0.03 0.002 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name a-BTX loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 ILE HA H 4.14 0.01 1 2 1 ILE HB H 1.84 0.01 1 3 1 ILE HG12 H 1.16 0.01 1 4 1 ILE HG13 H 1.16 0.01 1 5 1 ILE HG2 H 0.87 0.01 1 6 1 ILE HD1 H 0.72 0.01 1 7 2 VAL H H 8.08 0.01 1 8 2 VAL HA H 4.95 0.01 1 9 2 VAL HB H 1.51 0.01 1 10 2 VAL HG1 H 0.53 0.01 1 11 2 VAL HG2 H 0.82 0.01 1 12 3 CYS H H 8.75 0.01 1 13 3 CYS HA H 5.02 0.01 1 14 3 CYS HB2 H 2.41 0.01 1 15 3 CYS HB3 H 2.96 0.01 1 16 4 HIS H H 9.18 0.01 1 17 4 HIS HA H 5.04 0.01 1 18 4 HIS HB2 H 2.52 0.01 2 19 4 HIS HB3 H 2.83 0.01 2 20 4 HIS HD2 H 6.31 0.01 1 21 4 HIS HE1 H 7.14 0.01 1 22 5 THR H H 8.96 0.01 1 23 5 THR HA H 5.19 0.01 1 24 5 THR HB H 3.99 0.01 1 25 5 THR HG1 H 6.32 0.01 1 26 5 THR HG2 H 1.31 0.01 1 27 6 THR H H 8.08 0.01 1 28 6 THR HA H 4.48 0.01 1 29 6 THR HB H 5.29 0.01 1 30 6 THR HG1 H 6.71 0.01 1 31 6 THR HG2 H 1.02 0.01 1 32 7 ALA H H 9.10 0.01 1 33 7 ALA HA H 4.45 0.01 1 34 7 ALA HB H 1.55 0.01 1 35 8 THR H H 7.13 0.01 1 36 8 THR HA H 4.59 0.01 1 37 8 THR HB H 4.34 0.01 1 38 8 THR HG2 H 1.04 0.01 1 39 9 SER H H 8.57 0.01 1 40 9 SER HA H 4.78 0.01 1 41 9 SER HB2 H 3.72 0.01 2 42 9 SER HB3 H 3.80 0.01 2 43 10 PRO HA H 5.06 0.01 1 44 10 PRO HB2 H 2.23 0.01 2 45 10 PRO HB3 H 2.58 0.01 2 46 10 PRO HG2 H 1.77 0.01 2 47 10 PRO HG3 H 1.96 0.01 2 48 10 PRO HD2 H 3.54 0.01 2 49 10 PRO HD3 H 3.64 0.01 2 50 11 ILE H H 8.73 0.01 1 51 11 ILE HA H 3.82 0.01 1 52 11 ILE HB H 1.44 0.01 1 53 11 ILE HG12 H 0.86 0.01 1 54 11 ILE HG13 H 0.86 0.01 1 55 11 ILE HG2 H 0.33 0.01 1 56 11 ILE HD1 H 0.26 0.01 1 57 12 SER H H 7.56 0.01 1 58 12 SER HA H 4.90 0.01 1 59 12 SER HB2 H 3.77 0.01 2 60 12 SER HB3 H 3.82 0.01 2 61 13 ALA H H 8.20 0.01 1 62 13 ALA HA H 5.08 0.01 1 63 13 ALA HB H 0.85 0.01 1 64 14 VAL H H 8.89 0.01 1 65 14 VAL HA H 4.62 0.01 1 66 14 VAL HB H 2.06 0.01 1 67 14 VAL HG1 H 0.82 0.01 1 68 14 VAL HG2 H 0.85 0.01 1 69 15 THR H H 8.49 0.01 1 70 15 THR HA H 4.42 0.01 1 71 15 THR HB H 3.99 0.01 1 72 15 THR HG2 H 1.22 0.01 1 73 16 CYS H H 8.85 0.01 1 74 16 CYS HA H 4.84 0.01 1 75 16 CYS HB2 H 2.97 0.01 1 76 16 CYS HB3 H 3.34 0.01 1 77 17 PRO HA H 4.69 0.01 1 78 17 PRO HB2 H 1.77 0.01 2 79 17 PRO HB3 H 2.40 0.01 2 80 17 PRO HD2 H 3.74 0.01 2 81 17 PRO HD3 H 3.89 0.01 2 82 18 PRO HA H 4.28 0.01 1 83 18 PRO HB2 H 2.00 0.01 1 84 18 PRO HB3 H 2.00 0.01 1 85 18 PRO HG2 H 1.86 0.01 1 86 18 PRO HG3 H 1.86 0.01 1 87 18 PRO HD2 H 3.58 0.01 2 88 18 PRO HD3 H 3.87 0.01 2 89 19 GLY H H 8.75 0.01 1 90 19 GLY HA2 H 3.65 0.01 2 91 19 GLY HA3 H 4.26 0.01 2 92 20 GLU H H 7.88 0.01 1 93 20 GLU HA H 4.23 0.01 1 94 20 GLU HB2 H 2.10 0.01 1 95 20 GLU HB3 H 2.10 0.01 1 96 20 GLU HG2 H 1.84 0.01 2 97 20 GLU HG3 H 1.61 0.01 2 98 21 ASN H H 7.80 0.01 1 99 21 ASN HA H 4.96 0.01 1 100 21 ASN HB2 H 2.65 0.01 1 101 21 ASN HB3 H 2.98 0.01 1 102 21 ASN HD21 H 6.97 0.01 2 103 21 ASN HD22 H 7.50 0.01 2 104 22 LEU H H 8.33 0.01 1 105 22 LEU HA H 4.97 0.01 1 106 22 LEU HB2 H 1.70 0.01 1 107 22 LEU HB3 H 1.47 0.01 1 108 22 LEU HG H 1.57 0.01 1 109 22 LEU HD1 H 0.70 0.01 2 110 22 LEU HD2 H 0.77 0.01 2 111 23 CYS H H 8.73 0.01 1 112 23 CYS HA H 5.92 0.01 1 113 23 CYS HB2 H 2.81 0.01 1 114 23 CYS HB3 H 3.22 0.01 1 115 24 TYR H H 8.99 0.01 1 116 24 TYR HA H 5.96 0.01 1 117 24 TYR HB2 H 2.66 0.01 1 118 24 TYR HB3 H 2.97 0.01 1 119 24 TYR HD1 H 6.64 0.01 1 120 24 TYR HD2 H 6.64 0.01 1 121 24 TYR HE1 H 6.76 0.01 1 122 24 TYR HE2 H 6.76 0.01 1 123 25 ARG H H 9.01 0.01 1 124 25 ARG HA H 5.27 0.01 1 125 25 ARG HB2 H 1.88 0.01 1 126 25 ARG HB3 H 1.30 0.01 1 127 25 ARG HG2 H 1.51 0.01 2 128 25 ARG HG3 H 1.46 0.01 2 129 25 ARG HD2 H 3.02 0.01 1 130 25 ARG HD3 H 3.02 0.01 1 131 25 ARG HE H 7.00 0.01 1 132 26 LYS H H 9.96 0.01 1 133 26 LYS HA H 5.80 0.01 1 134 26 LYS HB2 H 2.10 0.01 1 135 26 LYS HB3 H 1.87 0.01 1 136 26 LYS HG2 H 1.57 0.01 1 137 26 LYS HG3 H 1.57 0.01 1 138 26 LYS HE2 H 2.52 0.01 1 139 26 LYS HE3 H 2.52 0.01 1 140 27 MET H H 9.20 0.01 1 141 27 MET HA H 6.22 0.01 1 142 27 MET HB2 H 1.92 0.01 1 143 27 MET HB3 H 2.03 0.01 1 144 27 MET HG2 H 2.40 0.01 2 145 27 MET HG3 H 2.73 0.01 2 146 27 MET HE H 1.97 0.01 1 147 28 TRP H H 7.97 0.01 1 148 28 TRP HA H 5.13 0.01 1 149 28 TRP HB2 H 3.74 0.01 1 150 28 TRP HB3 H 3.45 0.01 1 151 28 TRP HD1 H 6.97 0.01 1 152 28 TRP HE1 H 10.58 0.01 1 153 28 TRP HE3 H 7.49 0.01 1 154 28 TRP HZ2 H 7.28 0.01 1 155 28 TRP HZ3 H 7.15 0.01 1 156 28 TRP HH2 H 6.91 0.01 1 157 29 CYS H H 9.58 0.01 1 158 29 CYS HA H 5.36 0.01 1 159 29 CYS HB2 H 3.06 0.01 2 160 29 CYS HB3 H 3.42 0.01 2 161 30 ASP H H 9.44 0.01 1 162 30 ASP HA H 4.97 0.01 1 163 30 ASP HB2 H 2.64 0.01 2 164 30 ASP HB3 H 3.53 0.01 2 165 31 ALA H H 8.12 0.01 1 166 31 ALA HA H 4.05 0.01 1 167 31 ALA HB H 1.02 0.01 1 168 32 PHE H H 8.81 0.01 1 169 32 PHE HA H 4.74 0.01 1 170 32 PHE HB2 H 2.74 0.01 1 171 32 PHE HB3 H 2.97 0.01 1 172 32 PHE HD1 H 7.29 0.01 1 173 32 PHE HD2 H 7.29 0.01 1 174 32 PHE HE1 H 7.35 0.01 1 175 32 PHE HE2 H 7.35 0.01 1 176 32 PHE HZ H 7.30 0.01 1 177 33 CYS HA H 5.23 0.01 1 178 33 CYS HB2 H 3.43 0.01 2 179 33 CYS HB3 H 3.70 0.01 2 180 34 SER H H 7.66 0.01 1 181 34 SER HA H 4.77 0.01 1 182 34 SER HB2 H 3.89 0.01 1 183 34 SER HB3 H 3.89 0.01 1 184 35 SER H H 7.62 0.01 1 185 35 SER HA H 4.78 0.01 1 186 35 SER HB2 H 3.89 0.01 1 187 35 SER HB3 H 3.89 0.01 1 188 36 ARG H H 8.35 0.01 1 189 36 ARG HA H 4.32 0.01 1 190 36 ARG HB2 H 0.94 0.01 1 191 36 ARG HB3 H 1.34 0.01 1 192 36 ARG HG2 H 1.15 0.01 1 193 36 ARG HG3 H 1.15 0.01 1 194 36 ARG HD2 H 2.99 0.01 1 195 36 ARG HD3 H 2.99 0.01 1 196 37 GLY H H 7.50 0.01 1 197 37 GLY HA2 H 4.51 0.01 2 198 37 GLY HA3 H 3.93 0.01 2 199 38 LYS H H 9.74 0.01 1 200 38 LYS HA H 4.23 0.01 1 201 38 LYS HB2 H 1.51 0.01 1 202 38 LYS HB3 H 1.74 0.01 1 203 38 LYS HG2 H 1.43 0.01 1 204 38 LYS HG3 H 1.43 0.01 1 205 38 LYS HD2 H 1.24 0.01 1 206 38 LYS HD3 H 1.24 0.01 1 207 38 LYS HE2 H 3.08 0.01 1 208 38 LYS HE3 H 3.08 0.01 1 209 39 VAL H H 8.62 0.01 1 210 39 VAL HA H 3.51 0.01 1 211 39 VAL HB H 0.15 0.01 1 212 39 VAL HG1 H 0.31 0.01 2 213 39 VAL HG2 H 0.28 0.01 2 214 40 VAL H H 8.08 0.01 1 215 40 VAL HA H 4.41 0.01 1 216 40 VAL HB H 1.44 0.01 1 217 40 VAL HG1 H 0.55 0.01 1 218 40 VAL HG2 H 0.47 0.01 1 219 41 GLU H H 9.25 0.01 1 220 41 GLU HA H 5.00 0.01 1 221 41 GLU HB2 H 2.28 0.01 1 222 41 GLU HB3 H 2.50 0.01 1 223 42 LEU H H 8.83 0.01 1 224 42 LEU HA H 5.09 0.01 1 225 42 LEU HB2 H 1.45 0.01 1 226 42 LEU HB3 H 1.45 0.01 1 227 42 LEU HG H 1.52 0.01 1 228 42 LEU HD1 H 0.74 0.01 2 229 42 LEU HD2 H 0.83 0.01 2 230 43 GLY H H 6.68 0.01 1 231 43 GLY HA2 H 4.29 0.01 2 232 43 GLY HA3 H 3.97 0.01 2 233 44 CYS H H 8.47 0.01 1 234 44 CYS HA H 5.56 0.01 1 235 44 CYS HB2 H 3.34 0.01 1 236 44 CYS HB3 H 3.17 0.01 1 237 45 ALA H H 9.29 0.01 1 238 45 ALA HA H 4.52 0.01 1 239 45 ALA HB H 1.38 0.01 1 240 46 ALA H H 8.75 0.01 1 241 46 ALA HA H 4.81 0.01 1 242 46 ALA HB H 1.52 0.01 1 243 47 THR H H 7.40 0.01 1 244 47 THR HA H 4.30 0.01 1 245 47 THR HB H 3.93 0.01 1 246 47 THR HG2 H 1.11 0.01 1 247 48 CYS H H 9.02 0.01 1 248 48 CYS HA H 4.54 0.01 1 249 48 CYS HB2 H 2.91 0.01 2 250 48 CYS HB3 H 3.15 0.01 2 251 49 PRO HA H 4.09 0.01 1 252 49 PRO HB2 H 1.53 0.01 2 253 49 PRO HB3 H 2.07 0.01 2 254 49 PRO HG2 H 1.38 0.01 2 255 49 PRO HG3 H 0.97 0.01 2 256 49 PRO HD2 H 3.15 0.01 2 257 49 PRO HD3 H 3.55 0.01 2 258 50 SER H H 8.07 0.01 1 259 50 SER HA H 4.16 0.01 1 260 50 SER HB2 H 3.78 0.01 2 261 50 SER HB3 H 3.73 0.01 2 262 51 LYS H H 8.30 0.01 1 263 51 LYS HA H 4.38 0.01 1 264 51 LYS HB2 H 1.67 0.01 2 265 51 LYS HB3 H 1.84 0.01 2 266 51 LYS HG2 H 1.47 0.01 1 267 51 LYS HG3 H 1.47 0.01 1 268 51 LYS HD2 H 1.29 0.01 1 269 51 LYS HD3 H 1.29 0.01 1 270 51 LYS HE2 H 3.11 0.01 1 271 51 LYS HE3 H 3.11 0.01 1 272 52 LYS H H 8.69 0.01 1 273 52 LYS HA H 4.49 0.01 1 274 52 LYS HB2 H 0.85 0.01 1 275 52 LYS HB3 H 0.74 0.01 1 276 52 LYS HG2 H 1.47 0.01 1 277 52 LYS HG3 H 1.47 0.01 1 278 52 LYS HD2 H 1.32 0.01 1 279 52 LYS HD3 H 1.32 0.01 1 280 52 LYS HE2 H 2.85 0.01 1 281 52 LYS HE3 H 2.85 0.01 1 282 53 PRO HA H 4.18 0.01 1 283 53 PRO HB2 H 1.77 0.01 2 284 53 PRO HB3 H 2.23 0.01 2 285 53 PRO HG2 H 1.96 0.01 1 286 53 PRO HG3 H 1.96 0.01 1 287 53 PRO HD2 H 3.53 0.01 2 288 53 PRO HD3 H 3.77 0.01 2 289 54 TYR H H 7.07 0.01 1 290 54 TYR HA H 4.62 0.01 1 291 54 TYR HB2 H 3.14 0.01 2 292 54 TYR HB3 H 3.50 0.01 2 293 54 TYR HD1 H 6.78 0.01 1 294 54 TYR HD2 H 6.78 0.01 1 295 54 TYR HE1 H 7.12 0.01 1 296 54 TYR HE2 H 7.12 0.01 1 297 55 GLU H H 7.67 0.01 1 298 55 GLU HA H 5.06 0.01 1 299 55 GLU HB2 H 2.09 0.01 2 300 55 GLU HB3 H 1.91 0.01 2 301 55 GLU HG2 H 1.83 0.01 1 302 55 GLU HG3 H 1.83 0.01 1 303 56 GLU H H 8.88 0.01 1 304 56 GLU HA H 4.78 0.01 1 305 56 GLU HB2 H 2.10 0.01 2 306 56 GLU HB3 H 1.98 0.01 2 307 56 GLU HG2 H 2.26 0.01 1 308 56 GLU HG3 H 2.26 0.01 1 309 57 VAL H H 8.56 0.01 1 310 57 VAL HA H 5.25 0.01 1 311 57 VAL HB H 1.88 0.01 1 312 57 VAL HG1 H 0.87 0.01 2 313 57 VAL HG2 H 0.94 0.01 2 314 58 THR H H 9.13 0.01 1 315 58 THR HA H 4.76 0.01 1 316 58 THR HB H 3.99 0.01 1 317 58 THR HG2 H 1.21 0.01 1 318 59 CYS H H 9.19 0.01 1 319 59 CYS HA H 5.61 0.01 1 320 59 CYS HB2 H 2.98 0.01 1 321 59 CYS HB3 H 3.73 0.01 1 322 60 CYS H H 9.22 0.01 1 323 60 CYS HA H 5.11 0.01 1 324 60 CYS HB2 H 3.40 0.01 2 325 60 CYS HB3 H 3.57 0.01 2 326 61 SER H H 8.88 0.01 1 327 61 SER HA H 4.94 0.01 1 328 61 SER HB2 H 3.80 0.01 2 329 61 SER HB3 H 4.18 0.01 2 330 62 THR H H 7.51 0.01 1 331 62 THR HA H 4.75 0.01 1 332 62 THR HB H 4.26 0.01 1 333 62 THR HG2 H 1.19 0.01 1 334 63 ASP H H 8.30 0.01 1 335 63 ASP HA H 4.76 0.01 1 336 63 ASP HB2 H 2.50 0.01 1 337 63 ASP HB3 H 2.30 0.01 1 338 64 LYS H H 9.98 0.01 1 339 64 LYS HA H 3.12 0.01 1 340 64 LYS HB2 H 0.27 0.01 2 341 64 LYS HB3 H 0.98 0.01 2 342 64 LYS HG2 H 1.57 0.01 2 343 64 LYS HG3 H 1.49 0.01 2 344 64 LYS HD2 H 1.70 0.01 1 345 64 LYS HD3 H 1.70 0.01 1 346 64 LYS HE2 H 2.67 0.01 1 347 64 LYS HE3 H 2.67 0.01 1 348 64 LYS HZ H 7.62 0.01 1 349 65 CYS H H 7.63 0.01 1 350 65 CYS HA H 4.52 0.01 1 351 65 CYS HB2 H 3.74 0.01 1 352 65 CYS HB3 H 3.52 0.01 1 353 66 ASN H H 8.98 0.01 1 354 66 ASN HA H 4.94 0.01 1 355 66 ASN HB2 H 2.46 0.01 1 356 66 ASN HB3 H 1.99 0.01 1 357 66 ASN HD21 H 7.48 0.01 2 358 66 ASN HD22 H 7.79 0.01 2 359 67 PRO HA H 3.60 0.01 1 360 67 PRO HB2 H 1.55 0.01 1 361 67 PRO HB3 H 1.55 0.01 1 362 67 PRO HG2 H 1.62 0.01 2 363 67 PRO HG3 H 1.77 0.01 2 364 67 PRO HD2 H 3.37 0.01 2 365 67 PRO HD3 H 3.58 0.01 2 366 68 HIS H H 8.54 0.01 1 367 68 HIS HA H 3.96 0.01 1 368 68 HIS HB2 H 2.61 0.01 1 369 68 HIS HB3 H 2.61 0.01 1 370 68 HIS HD1 H 11.02 0.01 1 371 68 HIS HD2 H 6.32 0.01 1 372 68 HIS HE1 H 7.64 0.01 1 373 69 PRO HA H 4.30 0.01 1 374 69 PRO HD2 H 2.20 0.01 2 375 69 PRO HD3 H 3.14 0.01 2 376 70 LYS H H 11.19 0.01 1 377 70 LYS HA H 4.46 0.01 1 378 70 LYS HB2 H 1.76 0.01 1 379 70 LYS HB3 H 1.66 0.01 1 380 70 LYS HG2 H 1.52 0.01 1 381 70 LYS HG3 H 1.52 0.01 1 382 70 LYS HD2 H 2.08 0.01 1 383 70 LYS HD3 H 2.08 0.01 1 384 70 LYS HE2 H 3.11 0.01 1 385 70 LYS HE3 H 3.11 0.01 1 386 70 LYS HZ H 7.64 0.01 1 387 71 GLN H H 8.31 0.01 1 388 71 GLN HA H 4.26 0.01 1 389 71 GLN HB2 H 2.12 0.01 2 390 71 GLN HB3 H 2.25 0.01 2 391 71 GLN HG2 H 2.04 0.01 2 392 71 GLN HG3 H 2.49 0.01 2 393 71 GLN HE21 H 6.05 0.01 2 394 71 GLN HE22 H 7.37 0.01 2 395 72 ARG H H 8.18 0.01 1 396 72 ARG HA H 4.59 0.01 1 397 72 ARG HB2 H 1.66 0.01 2 398 72 ARG HB3 H 1.72 0.01 2 399 72 ARG HG2 H 1.87 0.01 1 400 72 ARG HG3 H 1.87 0.01 1 401 72 ARG HD2 H 3.23 0.01 1 402 72 ARG HD3 H 3.23 0.01 1 403 72 ARG HE H 7.16 0.01 1 404 73 PRO HA H 4.46 0.01 1 405 73 PRO HB2 H 2.25 0.01 2 406 73 PRO HB3 H 2.03 0.01 2 407 73 PRO HD2 H 3.66 0.01 2 408 73 PRO HD3 H 3.80 0.01 2 409 74 GLY H H 7.59 0.01 1 410 74 GLY HA2 H 3.66 0.01 2 411 74 GLY HA3 H 3.82 0.01 2 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; FEBS LETTERS V. 222 79-82 1987 ; save_