data_4278 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for Long-[L60]-IGF-I, an Insulin-Like Growth Factor 1 Analogue (IGF-I) ; _BMRB_accession_number 4278 _BMRB_flat_file_name bmr4278.str _Entry_type original _Submission_date 1998-12-07 _Accession_date 1998-12-07 _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 Laajoki Leanne G. . 2 Milner Steve J. . 3 Francis Geoff L. . 4 Carver John A. . 5 Keniry Max A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 453 "15N chemical shifts" 82 "coupling constants" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-21 original author 'Original release.' 2002-07-12 update BMRB 'Modify the saveframe name.' stop_ loop_ _Related_BMRB_accession_number _Relationship 2498 . 4011 . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Laajoki, L. G., Milner, S. J., Francis, G. L., Carver, J. A., and Keniry, M. A., "1H and 15N Assignments of Long-[L60]-IGF-I, an Insulin-Like Growth Factor I Analogue," J. Biomol. NMR, submitted (1999). ; _Citation_title ; 1H and 15N Assignments of Long-[L60]-IGF-I, an Insulin-Like Growth Factor I Analogue ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Laajoki Leanne G . 2 Milner Steve J . 3 Francis Geoff L . 4 Carver John A . 5 Keniry Max A . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 1999 _Details . loop_ _Keyword 'growth factor' 'heteronuclear 3D NMR' IGF-I stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Bartels,C., Xia,T-H., Billeter,M., Geuntert,P. and Wuthrich,K. J. Biomolecular NMR, 6, 1-10 (1995). ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ save_citation_two _Saveframe_category citation _Citation_full 'Varian Associates, Palo Alto, CA' _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ save_citation_three _Saveframe_category citation _Citation_full ; Bartels,C., Xia,T-H., Billeter,M., Geuntert,P and Wuthrich,K. (1995) J.Biomolecular NMR, 6, 1-10. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_Long-L60-IGF-I _Saveframe_category molecular_system _Mol_system_name Long-[L60]-IGF-I _Abbreviation_common Long-[L60]-IGF-I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Long [L60] IGF I' $Long-L60-IGF-I stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'Mediates Effects of GH Insulin-Like Metabolic Effects Mitogenic Effects' stop_ _Database_query_date . _Details ; PDB 2GF1 and 3GF1 Tyr-60 replaced by Leu-60 N-terminal Extension of 13 amino acid residues numbered -13 for the N-terminal residue through to -1 for the residue prior to residue 1 in the parent IGF-I. ; save_ ######################## # Monomeric polymers # ######################## save_Long-L60-IGF-I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IGF-I _Name_variant Long-[L60]-IGF-I _Abbreviation_common Long-[L60]-IGF-I _Molecular_mass 9139 _Mol_thiol_state . _Details 'Alpha Helical Protein, three helices' ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; MFPAMPLSSLFVNGPETLCG AELVDALQFVCGDRGFYFNK PTGYGSSSRRAPQTGIVDEC CFRSCDLRRLEMLCAPLKPA KSA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 PRO 4 ALA 5 MET 6 PRO 7 LEU 8 SER 9 SER 10 LEU 11 PHE 12 VAL 13 ASN 14 GLY 15 PRO 16 GLU 17 THR 18 LEU 19 CYS 20 GLY 21 ALA 22 GLU 23 LEU 24 VAL 25 ASP 26 ALA 27 LEU 28 GLN 29 PHE 30 VAL 31 CYS 32 GLY 33 ASP 34 ARG 35 GLY 36 PHE 37 TYR 38 PHE 39 ASN 40 LYS 41 PRO 42 THR 43 GLY 44 TYR 45 GLY 46 SER 47 SER 48 SER 49 ARG 50 ARG 51 ALA 52 PRO 53 GLN 54 THR 55 GLY 56 ILE 57 VAL 58 ASP 59 GLU 60 CYS 61 CYS 62 PHE 63 ARG 64 SER 65 CYS 66 ASP 67 LEU 68 ARG 69 ARG 70 LEU 71 GLU 72 MET 73 LEU 74 CYS 75 ALA 76 PRO 77 LEU 78 LYS 79 PRO 80 ALA 81 LYS 82 SER 83 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 BMRB 15654 Insulin-like_growth_factor-I_(IGF-I) 84.34 70 98.57 98.57 8.48e-42 BMRB 2498 "insulin-like growth factor-I" 84.34 70 98.57 98.57 8.48e-42 BMRB 4069 "Long-[Arg-3]-Insulin-Like Growth Factor-I" 100.00 83 97.59 97.59 7.36e-51 BMRB 4204 "Insulin-like growth factor-I (Somatomedin C)" 84.34 70 98.57 98.57 8.48e-42 BMRB 4494 IGF-I 100.00 83 97.59 97.59 7.36e-51 PDB 1BQT "Three-Dimensional Structure Of Human Insulin-Like Growth Factor-I (Igf-I) Determined By 1h-Nmr And Distance Geometry, 6 Structu" 84.34 70 98.57 98.57 8.48e-42 PDB 1GZR "Human Insulin-Like Growth Factor; Esrf Data" 84.34 70 98.57 98.57 8.48e-42 PDB 1GZY "Human Insulin-Like Growth Factor; In-House Data" 84.34 70 98.57 98.57 8.48e-42 PDB 1GZZ "Human Insulin-Like Growth Factor; Hamburg Data" 84.34 70 98.57 98.57 8.48e-42 PDB 1H02 "Human Insulin-Like Growth Factor; Srs Daresbury Data" 84.34 70 98.57 98.57 8.48e-42 PDB 1H59 "Complex Of Igfbp-5 With Igf-I" 84.34 70 98.57 98.57 8.48e-42 PDB 1IMX "1.8 Angstrom Crystal Structure Of Igf-1" 84.34 70 98.57 98.57 8.48e-42 PDB 1PMX "Insulin-Like Growth Factor-I Bound To A Phage-Derived Peptide" 84.34 70 98.57 98.57 8.48e-42 PDB 1WQJ "Structural Basis For The Regulation Of Insulin-Like Growth Factors (Igfs) By Igf Binding Proteins (Igfbps)" 84.34 70 98.57 98.57 8.48e-42 PDB 2DSP "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" 84.34 70 98.57 98.57 8.48e-42 PDB 2DSQ "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" 84.34 70 98.57 98.57 8.48e-42 PDB 2DSR "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" 84.34 70 98.57 98.57 8.48e-42 PDB 2GF1 "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" 84.34 70 98.57 98.57 8.48e-42 PDB 3GF1 "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" 84.34 70 98.57 98.57 8.48e-42 PDB 4XSS "Insulin-like Growth Factor I In Complex With Site 1 Of A Hybrid Insulin Receptor / Type 1 Insulin-like Growth Factor Receptor" 84.34 70 98.57 98.57 8.48e-42 DBJ BAA01200 "Met-somatomedin C polypeptide [synthetic construct]" 84.34 71 98.57 98.57 7.32e-42 DBJ BAA07897 "insulin-like growth factor I precursor [Suncus murinus]" 84.34 81 97.14 98.57 9.71e-42 EMBL CAA27153 "unnamed protein product [Homo sapiens]" 53.01 60 97.73 97.73 2.47e-21 EMBL CAA28759 "unnamed protein product [synthetic construct]" 84.34 137 98.57 98.57 3.07e-42 EMBL CAA35098 "insuline-like growth factor-I (2) [Ovis aries]" 84.34 138 97.14 97.14 6.47e-42 GB AAA53535 "insulin-like growth factor I, partial [synthetic construct]" 84.34 70 97.14 97.14 6.55e-41 GB AAA72204 "insulin-like growth factor, partial [synthetic construct]" 84.34 70 98.57 98.57 8.48e-42 GB AAA72455 "synthetic somatomedin-C/insulin-like growth factor I [synthetic construct]" 84.34 71 97.14 97.14 5.07e-41 GB AAA72579 "insulin-like growth factor [synthetic construct]" 84.34 71 98.57 98.57 7.32e-42 GB AAA72763 "synthetic insulin-like growth factor [synthetic construct]" 84.34 71 98.57 98.57 7.32e-42 PIR S22878 "insulin-like growth factor I precursor, splice form 2 - sheep" 84.34 138 97.14 97.14 6.47e-42 PRF 0912651A "somatomedin C" 84.34 70 98.57 98.57 8.48e-42 PRF 2001274B "insulin-like growth factor I" 84.34 70 97.14 97.14 6.55e-41 REF NP_001300784 "insulin-like growth factor I precursor [Canis lupus familiaris]" 84.34 153 98.57 98.57 5.21e-42 REF XP_004418087 "PREDICTED: insulin-like growth factor I isoform 1 [Ceratotherium simum simum]" 84.34 187 98.57 98.57 4.22e-42 REF XP_004418088 "PREDICTED: insulin-like growth factor I isoform 2 [Ceratotherium simum simum]" 84.34 171 98.57 98.57 8.04e-43 REF XP_004418089 "PREDICTED: insulin-like growth factor I isoform 3 [Ceratotherium simum simum]" 84.34 159 98.57 98.57 3.92e-42 REF XP_004418090 "PREDICTED: insulin-like growth factor I isoform 4 [Ceratotherium simum simum]" 84.34 153 98.57 98.57 2.66e-42 SP P33712 "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" 84.34 153 98.57 98.57 5.21e-42 SP Q28933 "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" 84.34 81 97.14 98.57 9.71e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Long-L60-IGF-I human 9606 Eukaryota Metazoa homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $Long-L60-IGF-I 'recombinant technology' E.Coli Escherichia coli JM101 plasmid p[Met1]-pGH(11)-Val-Asn-IGF-I ; Long-[L60]-IGF-I was prepared by site directed mutagenesis of Long-IGF-I to replace the tyrosine at postion 60 of IGF-I with a Leucine ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Long-L60-IGF-I 1.0 mM '[U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task 'Spectral Processing' stop_ _Details . _Citation_label $citation_two save_ save_software_two _Saveframe_category software _Name XEASY _Version 1.3.10 loop_ _Task 'Spectral Analysis and Peak Picking' stop_ _Details . _Citation_label $citation_three save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_one save_ save_2D_1H-15N_HSQC-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TOCSY' _Sample_label $sample_one save_ save_2D_1H-15N_HSQC-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-NOESY' _Sample_label $sample_one save_ save_3D_15N_NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $sample_one save_ save_3D_15N_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label $sample_one save_ save_2D_1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H NOESY' _Sample_label $sample_one save_ save_3D_15N_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N HNHA' _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details 'sample was equilibrated for 10min at 30c prior to collecting spectra' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.4 n/a temperature 303 0.5 K stop_ save_ save_sample_conditions_two _Saveframe_category sample_conditions _Details 'sample was equilibrated for 10min at 20c prior to collecting spectra' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.4 n/a temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details ; Resonances were not observed for a small number of residues at this temperature. These resonances were observed at a lower temperature (20c) A few unassigned signals were observed that may correspond to a minor conformational species. ; loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Long [L60] IGF I' _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 MET H H 8.17 . 1 2 . 1 MET HA H 4.25 . 1 3 . 1 MET HB2 H 1.76 . 1 4 . 1 MET HB3 H 1.82 . 1 5 . 1 MET HG2 H 1.40 . 1 6 . 1 MET HG3 H 1.40 . 1 7 . 1 MET N N 120.29 . 1 8 . 2 PHE H H 8.55 . 1 9 . 2 PHE HA H 4.87 . 1 10 . 2 PHE HB2 H 3.10 . 2 11 . 2 PHE HB3 H 2.89 . 2 12 . 2 PHE HD1 H 7.10 . 1 13 . 2 PHE HD2 H 7.10 . 1 14 . 2 PHE N N 124.22 . 1 15 . 3 PRO HB2 H 2.00 . 2 16 . 3 PRO HB3 H 1.92 . 2 17 . 3 PRO HG2 H 1.84 . 2 18 . 3 PRO HG3 H 1.79 . 2 19 . 3 PRO HD2 H 3.62 . 1 20 . 3 PRO HD3 H 3.62 . 1 21 . 4 ALA H H 8.30 . 1 22 . 4 ALA HA H 4.23 . 1 23 . 4 ALA HB H 1.33 . 1 24 . 4 ALA N N 124.44 . 1 25 . 5 MET H H 8.04 . 1 26 . 5 MET HA H 4.65 . 1 27 . 5 MET HB2 H 1.84 . 1 28 . 5 MET HB3 H 1.84 . 1 29 . 5 MET HG2 H 2.45 . 1 30 . 5 MET HG3 H 2.45 . 1 31 . 5 MET HE H 1.92 . 1 32 . 5 MET N N 120.29 . 1 33 . 6 PRO HA H 4.41 . 1 34 . 6 PRO HB2 H 2.20 . 1 35 . 6 PRO HB3 H 2.20 . 1 36 . 6 PRO HG2 H 1.92 . 2 37 . 6 PRO HG3 H 1.83 . 2 38 . 6 PRO HD2 H 3.24 . 1 39 . 6 PRO HD3 H 3.24 . 1 40 . 7 LEU H H 8.11 . 1 41 . 7 LEU HA H 4.22 . 1 42 . 7 LEU HB2 H 1.31 . 1 43 . 7 LEU HB3 H 1.31 . 1 44 . 7 LEU HG H 1.16 . 1 45 . 7 LEU HD1 H 0.76 . 2 46 . 7 LEU HD2 H 0.99 . 2 47 . 7 LEU N N 123.57 . 1 48 . 8 SER H H 8.15 . 1 49 . 8 SER HA H 4.41 . 1 50 . 8 SER HB2 H 3.82 . 1 51 . 8 SER HB3 H 3.82 . 1 52 . 8 SER N N 117.23 . 1 53 . 9 SER H H 8.23 . 1 54 . 9 SER HA H 4.35 . 1 55 . 9 SER HB2 H 3.78 . 1 56 . 9 SER HB3 H 3.78 . 1 57 . 9 SER N N 117.67 . 1 58 . 10 LEU H H 8.02 . 1 59 . 10 LEU HA H 4.29 . 1 60 . 10 LEU HB2 H 1.59 . 1 61 . 10 LEU HB3 H 1.59 . 1 62 . 10 LEU HG H 1.27 . 1 63 . 10 LEU HD1 H 0.79 . 1 64 . 10 LEU HD2 H 0.79 . 1 65 . 10 LEU N N 124.98 . 1 66 . 11 PHE H H 8.08 . 1 67 . 11 PHE HA H 5.00 . 1 68 . 11 PHE HB2 H 3.43 . 2 69 . 11 PHE HB3 H 3.23 . 2 70 . 11 PHE HD1 H 7.27 . 1 71 . 11 PHE HD2 H 7.27 . 1 72 . 11 PHE N N 120.07 . 1 73 . 12 VAL H H 7.37 . 1 74 . 12 VAL HA H 3.98 . 1 75 . 12 VAL HB H 2.18 . 1 76 . 12 VAL HG1 H 0.86 . 1 77 . 12 VAL HG2 H 0.86 . 1 78 . 12 VAL N N 120.7 . 1 79 . 13 ASN H H 8.47 . 1 80 . 13 ASN HA H 4.37 . 1 81 . 13 ASN HB2 H 2.90 . 2 82 . 13 ASN HB3 H 2.81 . 2 83 . 13 ASN N N 121.75 . 1 84 . 14 GLY H H 8.06 . 1 85 . 14 GLY N N 108.91 . 1 86 . 15 PRO HA H 4.42 . 1 87 . 15 PRO HB2 H 2.10 . 1 88 . 15 PRO HB3 H 2.10 . 1 89 . 15 PRO HG2 H 1.85 . 1 90 . 15 PRO HG3 H 1.85 . 1 91 . 15 PRO HD2 H 3.45 . 1 92 . 15 PRO HD3 H 3.45 . 1 93 . 16 GLU H H 8.25 . 1 94 . 16 GLU HA H 4.66 . 1 95 . 16 GLU HB2 H 2.12 . 2 96 . 16 GLU HB3 H 1.92 . 2 97 . 16 GLU HG2 H 2.41 . 2 98 . 16 GLU HG3 H 2.26 . 2 99 . 16 GLU N N 118.33 . 1 100 . 17 THR H H 7.85 . 1 101 . 17 THR HA H 4.32 . 1 102 . 17 THR HB H 3.78 . 1 103 . 17 THR HG2 H 1.31 . 1 104 . 17 THR N N 116.14 . 1 105 . 18 LEU H H 7.57 . 1 106 . 18 LEU HA H 3.95 . 1 107 . 18 LEU HB2 H 2.03 . 1 108 . 18 LEU HB3 H 2.03 . 1 109 . 18 LEU HG H 1.66 . 1 110 . 18 LEU HD1 H 0.87 . 1 111 . 18 LEU HD2 H 0.87 . 1 112 . 18 LEU N N 119.20 . 1 113 . 19 CYS H H 8.33 . 1 114 . 19 CYS HA H 4.89 . 1 115 . 19 CYS HB2 H 2.89 . 2 116 . 19 CYS HB3 H 2.61 . 2 117 . 19 CYS N N 118.33 . 1 118 . 20 GLY H H 7.63 . 1 119 . 20 GLY HA2 H 3.91 . 2 120 . 20 GLY HA3 H 3.58 . 2 121 . 20 GLY N N 108.28 . 1 122 . 21 ALA H H 8.83 . 1 123 . 21 ALA HA H 3.86 . 1 124 . 21 ALA HB H 1.39 . 1 125 . 21 ALA N N 128.15 . 1 126 . 22 GLU H H 7.94 . 1 127 . 22 GLU HA H 4.01 . 1 128 . 22 GLU HB2 H 2.17 . 2 129 . 22 GLU HB3 H 2.01 . 2 130 . 22 GLU HG2 H 2.63 . 2 131 . 22 GLU HG3 H 2.51 . 2 132 . 22 GLU N N 115.05 . 1 133 . 23 LEU H H 6.87 . 1 134 . 23 LEU HA H 4.09 . 1 135 . 23 LEU HB2 H 1.90 . 1 136 . 23 LEU HB3 H 1.81 . 1 137 . 23 LEU HG H 1.21 . 1 138 . 23 LEU HD1 H 1.14 . 2 139 . 23 LEU HD2 H 0.88 . 2 140 . 23 LEU N N 120.29 . 1 141 . 24 VAL H H 7.38 . 1 142 . 24 VAL HA H 3.26 . 1 143 . 24 VAL HB H 1.97 . 1 144 . 24 VAL HG1 H 0.99 . 2 145 . 24 VAL HG2 H 0.82 . 2 146 . 24 VAL N N 117.89 . 1 147 . 25 ASP H H 8.11 . 1 148 . 25 ASP HA H 4.03 . 1 149 . 25 ASP HB2 H 2.85 . 2 150 . 25 ASP HB3 H 2.74 . 2 151 . 25 ASP N N 117.23 . 1 152 . 26 ALA H H 7.76 . 1 153 . 26 ALA HA H 3.99 . 1 154 . 26 ALA HB H 1.35 . 1 155 . 26 ALA N N 122.26 . 1 156 . 27 LEU H H 8.24 . 1 157 . 27 LEU HA H 3.73 . 1 158 . 27 LEU HB2 H 1.45 . 1 159 . 27 LEU HB3 H 1.45 . 1 160 . 27 LEU HG H 1.91 . 1 161 . 27 LEU HD1 H 0.86 . 2 162 . 27 LEU HD2 H 0.73 . 2 163 . 27 LEU N N 118.54 . 1 164 . 28 GLN H H 8.12 . 1 165 . 28 GLN HA H 4.04 . 1 166 . 28 GLN HB2 H 2.23 . 2 167 . 28 GLN HB3 H 2.00 . 2 168 . 28 GLN HG2 H 2.52 . 2 169 . 28 GLN HG3 H 2.37 . 2 170 . 28 GLN HE21 H 7.11 . 2 171 . 28 GLN HE22 H 6.69 . 2 172 . 28 GLN N N 118.54 . 1 173 . 28 GLN NE2 N 110.24 . 1 174 . 29 PHE H H 7.38 . 1 175 . 29 PHE HA H 4.35 . 1 176 . 29 PHE HB2 H 3.16 . 1 177 . 29 PHE HB3 H 3.16 . 1 178 . 29 PHE HD1 H 7.23 . 1 179 . 29 PHE HD2 H 7.23 . 1 180 . 29 PHE N N 117.89 . 1 181 . 30 VAL H H 8.60 . 1 182 . 30 VAL HA H 3.52 . 1 183 . 30 VAL HB H 1.94 . 1 184 . 30 VAL HG1 H 1.02 . 2 185 . 30 VAL HG2 H 0.80 . 2 186 . 30 VAL N N 117.67 . 1 187 . 31 CYS H H 8.69 . 1 188 . 31 CYS HA H 4.71 . 1 189 . 31 CYS HB2 H 3.25 . 2 190 . 31 CYS HB3 H 2.86 . 2 191 . 31 CYS N N 115.05 . 1 192 . 32 GLY H H 7.41 . 1 193 . 32 GLY HA2 H 4.02 . 2 194 . 32 GLY HA3 H 3.92 . 2 195 . 32 GLY N N 108.06 . 1 196 . 33 ASP H H 8.77 . 1 197 . 33 ASP HA H 4.48 . 1 198 . 33 ASP HB2 H 2.84 . 1 199 . 33 ASP HB3 H 2.84 . 1 200 . 33 ASP N N 122.48 . 1 201 . 34 ARG H H 8.00 . 1 202 . 34 ARG HA H 4.10 . 1 203 . 34 ARG HB2 H 1.94 . 1 204 . 34 ARG HB3 H 1.94 . 1 205 . 34 ARG HG2 H 1.77 . 1 206 . 34 ARG HG3 H 1.77 . 1 207 . 34 ARG HD2 H 3.22 . 1 208 . 34 ARG HD3 H 3.22 . 1 209 . 34 ARG HE H 7.03 . 1 210 . 34 ARG N N 118.33 . 1 211 . 34 ARG NE N 117.77 . 1 212 . 35 GLY H H 7.33 . 1 213 . 35 GLY HA2 H 3.93 . 2 214 . 35 GLY HA3 H 3.69 . 2 215 . 35 GLY N N 104.0 . 1 216 . 36 PHE H H 7.46 . 1 217 . 36 PHE HA H 4.94 . 1 218 . 36 PHE HB2 H 3.20 . 2 219 . 36 PHE HB3 H 2.80 . 2 220 . 36 PHE HD1 H 6.88 . 1 221 . 36 PHE HD2 H 6.88 . 1 222 . 36 PHE HE1 H 7.16 . 1 223 . 36 PHE HE2 H 7.16 . 1 224 . 36 PHE N N 114.18 . 1 225 . 37 TYR H H 8.41 . 1 226 . 37 TYR HA H 4.49 . 1 227 . 37 TYR HB2 H 3.18 . 2 228 . 37 TYR HB3 H 2.88 . 2 229 . 37 TYR HD1 H 6.77 . 1 230 . 37 TYR HD2 H 6.77 . 1 231 . 37 TYR HE1 H 6.94 . 1 232 . 37 TYR HE2 H 6.94 . 1 233 . 37 TYR N N 119.64 . 1 234 . 38 PHE H H 7.86 . 1 235 . 38 PHE HA H 4.50 . 1 236 . 38 PHE HB2 H 2.97 . 2 237 . 38 PHE HB3 H 2.85 . 2 238 . 38 PHE HD1 H 7.17 . 1 239 . 38 PHE HD2 H 7.17 . 1 240 . 38 PHE HE1 H 6.87 . 1 241 . 38 PHE HE2 H 6.87 . 1 242 . 38 PHE N N 120.29 . 1 243 . 39 ASN H H 7.88 . 1 244 . 39 ASN HA H 4.49 . 1 245 . 39 ASN HB2 H 2.56 . 1 246 . 39 ASN HB3 H 2.56 . 1 247 . 39 ASN HD21 H 7.5 . 2 248 . 39 ASN HD22 H 6.8 . 2 249 . 39 ASN N N 120.07 . 1 250 . 39 ASN ND2 N 112.86 . 1 251 . 40 LYS H H 7.99 . 1 252 . 40 LYS HA H 4.40 . 1 253 . 40 LYS HB2 H 1.72 . 2 254 . 40 LYS HB3 H 1.62 . 2 255 . 40 LYS HG2 H 1.34 . 4 256 . 40 LYS HG3 H 1.34 . 4 257 . 40 LYS HE2 H 2.59 . 1 258 . 40 LYS HE3 H 2.59 . 1 259 . 40 LYS N N 121.82 . 1 260 . 41 PRO HA H 4.43 . 1 261 . 41 PRO HB2 H 2.18 . 2 262 . 41 PRO HB3 H 2.11 . 2 263 . 41 PRO HG2 H 1.86 . 1 264 . 41 PRO HG3 H 1.86 . 1 265 . 41 PRO HD2 H 3.41 . 1 266 . 41 PRO HD3 H 3.41 . 1 267 . 42 THR H H 8.07 . 1 268 . 42 THR HA H 4.27 . 1 269 . 42 THR HB H 4.15 . 1 270 . 42 THR HG2 H 1.14 . 1 271 . 42 THR N N 113.08 . 1 272 . 43 GLY H H 8.20 . 1 273 . 43 GLY HA2 H 3.90 . 2 274 . 43 GLY HA3 H 3.80 . 2 275 . 43 GLY N N 110.24 . 1 276 . 44 TYR H H 8.04 . 1 277 . 44 TYR HA H 4.47 . 1 278 . 44 TYR HB2 H 2.97 . 2 279 . 44 TYR HB3 H 2.86 . 2 280 . 44 TYR HD1 H 7.03 . 1 281 . 44 TYR HD2 H 7.03 . 1 282 . 44 TYR HE1 H 6.88 . 1 283 . 44 TYR HE2 H 6.88 . 1 284 . 44 TYR N N 120.07 . 1 285 . 45 GLY H H 8.30 . 1 286 . 45 GLY HA2 H 3.93 . 2 287 . 45 GLY HA3 H 3.79 . 2 288 . 45 GLY N N 110.68 . 1 289 . 46 SER H H 8.13 . 1 290 . 46 SER HA H 4.38 . 1 291 . 46 SER HB2 H 3.91 . 2 292 . 46 SER HB3 H 3.82 . 2 293 . 46 SER N N 115.49 . 1 294 . 47 SER H H 8.11 . 1 295 . 47 SER HA H 4.39 . 1 296 . 47 SER HB2 H 3.82 . 1 297 . 47 SER HB3 H 3.82 . 1 298 . 47 SER N N 117.02 . 1 299 . 48 SER H H 8.32 . 1 300 . 48 SER HA H 4.39 . 1 301 . 48 SER HB2 H 3.85 . 1 302 . 48 SER HB3 H 3.85 . 1 303 . 48 SER N N 117.23 . 1 304 . 49 ARG H H 8.08 . 1 305 . 49 ARG HA H 4.25 . 1 306 . 49 ARG HB2 H 1.80 . 2 307 . 49 ARG HB3 H 1.65 . 2 308 . 49 ARG HG2 H 1.55 . 1 309 . 49 ARG HG3 H 1.55 . 1 310 . 49 ARG HD2 H 3.11 . 1 311 . 49 ARG HD3 H 3.11 . 1 312 . 49 ARG HE H 7.08 . 1 313 . 49 ARG N N 122.04 . 1 314 . 49 ARG NE N 112.43 . 1 315 . 50 ARG H H 8.08 . 1 316 . 50 ARG HA H 4.27 . 1 317 . 50 ARG HB2 H 1.79 . 2 318 . 50 ARG HB3 H 1.67 . 2 319 . 50 ARG HG2 H 1.54 . 1 320 . 50 ARG HG3 H 1.54 . 1 321 . 50 ARG HD2 H 3.07 . 1 322 . 50 ARG HD3 H 3.07 . 1 323 . 50 ARG HE H 7.17 . 1 324 . 50 ARG N N 121.16 . 1 325 . 50 ARG NE N 112.43 . 1 326 . 51 ALA H H 8.16 . 1 327 . 51 ALA HA H 4.51 . 1 328 . 51 ALA HB H 1.32 . 1 329 . 51 ALA N N 125.97 . 1 330 . 52 PRO HA H 4.36 . 1 331 . 52 PRO HB2 H 2.16 . 2 332 . 52 PRO HB3 H 2.06 . 2 333 . 52 PRO HG2 H 1.95 . 2 334 . 52 PRO HG3 H 1.86 . 2 335 . 52 PRO HD2 H 3.40 . 1 336 . 52 PRO HD3 H 3.40 . 1 337 . 53 GLN H H 8.46 . 1 338 . 53 GLN HA H 4.15 . 1 339 . 53 GLN HB2 H 1.95 . 2 340 . 53 GLN HB3 H 1.82 . 2 341 . 53 GLN HG2 H 2.29 . 1 342 . 53 GLN HG3 H 2.29 . 1 343 . 53 GLN HE21 H 7.38 . 2 344 . 53 GLN HE22 H 6.76 . 2 345 . 53 GLN N N 118.32 . 1 346 . 53 GLN NE2 N 111.91 . 1 347 . 54 THR H H 7.85 . 1 348 . 54 THR HA H 4.26 . 1 349 . 54 THR HB H 4.04 . 1 350 . 54 THR HG2 H 1.18 . 1 351 . 54 THR N N 114.18 . 1 352 . 55 GLY H H 8.26 . 1 353 . 55 GLY HA2 H 4.06 . 2 354 . 55 GLY HA3 H 3.95 . 2 355 . 55 GLY N N 109.37 . 1 356 . 56 ILE H H 7.74 . 1 357 . 56 ILE HA H 3.85 . 1 358 . 56 ILE HB H 2.00 . 1 359 . 56 ILE HG12 H 1.84 . 2 360 . 56 ILE HG13 H 1.58 . 2 361 . 56 ILE HG2 H 1.14 . 1 362 . 56 ILE HD1 H 0.87 . 1 363 . 56 ILE N N 121.38 . 1 364 . 57 VAL H H 7.79 . 1 365 . 57 VAL HA H 3.42 . 1 366 . 57 VAL HB H 2.03 . 1 367 . 57 VAL HG1 H 0.89 . 1 368 . 57 VAL HG2 H 0.89 . 1 369 . 57 VAL N N 120.29 . 1 370 . 58 ASP H H 8.06 . 1 371 . 58 ASP HA H 4.30 . 1 372 . 58 ASP HB2 H 2.83 . 1 373 . 58 ASP HB3 H 2.83 . 1 374 . 58 ASP N N 118.11 . 1 375 . 59 GLU H H 7.83 . 1 376 . 59 GLU HA H 4.41 . 1 377 . 59 GLU HB2 H 1.76 . 1 378 . 59 GLU HB3 H 1.76 . 1 379 . 59 GLU HG2 H 2.15 . 1 380 . 59 GLU HG3 H 2.15 . 1 381 . 59 GLU N N 118.11 . 1 382 . 60 CYS H H 7.22 . 1 383 . 60 CYS HA H 4.93 . 1 384 . 60 CYS HB2 H 3.15 . 2 385 . 60 CYS HB3 H 2.73 . 2 386 . 60 CYS N N 115.49 . 1 387 . 61 CYS H H 8.43 . 1 388 . 61 CYS HA H 4.40 . 1 389 . 61 CYS HB2 H 3.42 . 2 390 . 61 CYS HB3 H 3.24 . 2 391 . 61 CYS N N 115.7 . 1 392 . 62 PHE H H 7.89 . 1 393 . 62 PHE HA H 4.73 . 1 394 . 62 PHE HB2 H 3.26 . 2 395 . 62 PHE HB3 H 2.85 . 2 396 . 62 PHE HD1 H 7.32 . 1 397 . 62 PHE HD2 H 7.32 . 1 398 . 62 PHE N N 113.74 . 1 399 . 63 ARG H H 7.95 . 1 400 . 63 ARG HA H 4.53 . 1 401 . 63 ARG HB2 H 1.89 . 1 402 . 63 ARG HB3 H 1.89 . 1 403 . 63 ARG HG2 H 1.57 . 1 404 . 63 ARG HG3 H 1.57 . 1 405 . 63 ARG N N 119.42 . 1 406 . 64 SER H H 7.81 . 1 407 . 64 SER HA H 4.16 . 1 408 . 64 SER HB2 H 3.69 . 1 409 . 64 SER HB3 H 3.69 . 1 410 . 64 SER N N 112.87 . 1 411 . 65 CYS H H 8.21 . 1 412 . 65 CYS HA H 4.71 . 1 413 . 65 CYS HB2 H 2.99 . 2 414 . 65 CYS HB3 H 2.85 . 2 415 . 65 CYS N N 118.98 . 1 416 . 66 ASP H H 7.59 . 1 417 . 66 ASP HA H 4.24 . 1 418 . 66 ASP HB2 H 3.36 . 2 419 . 66 ASP HB3 H 2.95 . 2 420 . 66 ASP N N 116.14 . 1 421 . 67 LEU H H 7.57 . 1 422 . 67 LEU HA H 3.95 . 1 423 . 67 LEU HB2 H 1.30 . 1 424 . 67 LEU HB3 H 1.30 . 1 425 . 67 LEU HG H 1.72 . 1 426 . 67 LEU HD1 H 0.94 . 1 427 . 67 LEU HD2 H 0.94 . 1 428 . 67 LEU N N 122.48 . 1 429 . 68 ARG H H 7.92 . 1 430 . 68 ARG HA H 4.10 . 1 431 . 68 ARG HB2 H 1.90 . 1 432 . 68 ARG HB3 H 1.90 . 1 433 . 68 ARG HG2 H 1.79 . 1 434 . 68 ARG HG3 H 1.79 . 1 435 . 68 ARG HD2 H 3.28 . 1 436 . 68 ARG HD3 H 3.28 . 1 437 . 68 ARG N N 119.42 . 1 438 . 69 ARG H H 7.86 . 1 439 . 69 ARG HA H 3.85 . 1 440 . 69 ARG HB2 H 1.74 . 1 441 . 69 ARG HB3 H 1.74 . 1 442 . 69 ARG HG2 H 1.59 . 1 443 . 69 ARG HG3 H 1.59 . 1 444 . 69 ARG HD2 H 3.15 . 1 445 . 69 ARG HD3 H 3.15 . 1 446 . 69 ARG HE H 7.37 . 1 447 . 69 ARG N N 116.80 . 1 448 . 69 ARG NE N 112.86 . 1 449 . 70 LEU H H 7.73 . 1 450 . 70 LEU HA H 3.88 . 1 451 . 70 LEU HB2 H 1.93 . 1 452 . 70 LEU HB3 H 1.93 . 1 453 . 70 LEU HG H 1.81 . 1 454 . 70 LEU HD1 H 1.03 . 2 455 . 70 LEU HD2 H 0.77 . 2 456 . 70 LEU N N 117.02 . 1 457 . 71 GLU H H 8.15 . 1 458 . 71 GLU HA H 4.05 . 1 459 . 71 GLU HB2 H 2.07 . 2 460 . 71 GLU HB3 H 1.95 . 2 461 . 71 GLU HG2 H 2.49 . 2 462 . 71 GLU HG3 H 2.29 . 2 463 . 71 GLU N N 113.74 . 1 464 . 72 MET H H 7.53 . 1 465 . 72 MET HA H 4.18 . 1 466 . 72 MET HB2 H 2.32 . 2 467 . 72 MET HB3 H 2.12 . 2 468 . 72 MET HG2 H 2.89 . 2 469 . 72 MET HG3 H 2.59 . 2 470 . 72 MET HE H 1.82 . 1 471 . 72 MET N N 117.23 . 1 472 . 73 LEU H H 7.76 . 1 473 . 73 LEU HA H 4.03 . 1 474 . 73 LEU HB2 H 1.78 . 1 475 . 73 LEU HB3 H 1.78 . 1 476 . 73 LEU HG H 2.15 . 1 477 . 73 LEU HD1 H 0.89 . 1 478 . 73 LEU HD2 H 0.89 . 1 479 . 73 LEU N N 117.89 . 1 480 . 74 CYS H H 7.22 . 1 481 . 74 CYS HA H 4.93 . 1 482 . 74 CYS HB2 H 3.16 . 2 483 . 74 CYS HB3 H 2.73 . 2 484 . 74 CYS N N 115.27 . 1 485 . 76 PRO HA H 4.33 . 1 486 . 76 PRO HB2 H 2.15 . 2 487 . 76 PRO HB3 H 2.05 . 2 488 . 76 PRO HG2 H 1.85 . 2 489 . 76 PRO HG3 H 1.79 . 2 490 . 76 PRO HD2 H 3.39 . 1 491 . 76 PRO HD3 H 3.39 . 1 492 . 77 LEU H H 8.24 . 1 493 . 77 LEU HA H 4.53 . 1 494 . 77 LEU HB2 H 1.73 . 2 495 . 77 LEU HB3 H 1.65 . 2 496 . 77 LEU HG H 1.49 . 1 497 . 77 LEU HD1 H 0.85 . 1 498 . 77 LEU HD2 H 0.85 . 1 499 . 77 LEU N N 123.57 . 1 500 . 78 LYS H H 8.18 . 1 501 . 78 LYS HA H 4.14 . 1 502 . 78 LYS HB2 H 1.49 . 1 503 . 78 LYS HB3 H 1.49 . 1 504 . 78 LYS HG2 H 1.95 . 2 505 . 78 LYS HG3 H 1.82 . 2 506 . 78 LYS HE2 H 2.27 . 1 507 . 78 LYS HE3 H 2.27 . 1 508 . 78 LYS N N 122.04 . 1 509 . 79 PRO HA H 4.37 . 1 510 . 79 PRO HB2 H 2.16 . 2 511 . 79 PRO HB3 H 2.10 . 2 512 . 79 PRO HG2 H 1.88 . 1 513 . 79 PRO HG3 H 1.88 . 1 514 . 79 PRO HD2 H 3.39 . 1 515 . 79 PRO HD3 H 3.39 . 1 516 . 80 ALA H H 8.30 . 1 517 . 80 ALA HA H 4.32 . 1 518 . 80 ALA HB H 1.33 . 1 519 . 80 ALA N N 124.66 . 1 520 . 81 LYS H H 8.19 . 1 521 . 81 LYS HA H 4.03 . 1 522 . 81 LYS HB2 H 1.54 . 2 523 . 81 LYS HB3 H 1.41 . 2 524 . 81 LYS HG2 H 1.83 . 1 525 . 81 LYS HG3 H 1.83 . 1 526 . 81 LYS N N 122.26 . 1 527 . 82 SER H H 7.93 . 1 528 . 82 SER HA H 4.14 . 1 529 . 82 SER HB2 H 3.88 . 2 530 . 82 SER HB3 H 3.77 . 2 531 . 82 SER N N 112.87 . 1 532 . 83 ALA H H 8.09 . 1 533 . 83 ALA HA H 4.17 . 1 534 . 83 ALA HB H 1.31 . 1 535 . 83 ALA N N 128.59 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Saveframe_category coupling_constants _Details ; 3JHNHA coupling constants were measured at two transforms, one phased in pure absorption and the other in pure dispersion, of the DQF-COSY spectrum. From these values the real coupling constants were calculated according to Kim, Y. and Prestegard, J.H. (1989) J. Magn. Reson. 84, 9-13 ; loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Long [L60] IGF I' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 1 MET H 1 MET HA 7.6 . . 0.1 2 3JHNHA 2 PHE H 2 PHE HA 5.6 . . 0.1 3 3JHNHA 4 ALA H 4 ALA HA 6.3 . . 0.1 4 3JHNHA 5 MET H 5 MET HA 7.6 . . 0.1 5 3JHNHA 7 LEU H 7 LEU HA 6.2 . . 0.1 6 3JHNHA 9 SER H 9 SER HA 7.9 . . 0.1 7 3JHNHA 10 LEU H 10 LEU HA 8.4 . . 0.1 8 3JHNHA 13 ASN H 13 ASN HA 6.0 . . 0.1 9 3JHNHA 16 GLU H 16 GLU HA 9.1 . . 0.1 10 3JHNHA 17 THR H 17 THR HA 7.6 . . 0.1 11 3JHNHA 18 LEU H 18 LEU HA 5.8 . . 0.1 12 3JHNHA 19 CYS H 19 CYS HA 9.1 . . 0.1 13 3JHNHA 21 ALA H 21 ALA HA 5.6 . . 0.1 14 3JHNHA 22 GLU H 22 GLU HA 5.5 . . 0.1 15 3JHNHA 24 VAL H 24 VAL HA 5.3 . . 0.1 16 3JHNHA 26 ALA H 26 ALA HA 5.1 . . 0.1 17 3JHNHA 29 PHE H 29 PHE HA 6.3 . . 0.1 18 3JHNHA 30 VAL H 30 VAL HA 6.4 . . 0.1 19 3JHNHA 31 CYS H 31 CYS HA 5.2 . . 0.1 20 3JHNHA 33 ASP H 33 ASP HA 5.3 . . 0.1 21 3JHNHA 34 ARG H 34 ARG HA 7.5 . . 0.1 22 3JHNHA 37 TYR H 37 TYR HA 6.3 . . 0.1 23 3JHNHA 38 PHE H 38 PHE HA 4.8 . . 0.1 24 3JHNHA 39 ASN H 39 ASN HA 4.1 . . 0.1 25 3JHNHA 40 LYS H 40 LYS HA 7.0 . . 0.1 26 3JHNHA 42 THR H 42 THR HA 6.9 . . 0.1 27 3JHNHA 44 TYR H 44 TYR HA 9.0 . . 0.1 28 3JHNHA 46 SER H 46 SER HA 7.3 . . 0.1 29 3JHNHA 47 SER H 47 SER HA 7.4 . . 0.1 30 3JHNHA 48 SER H 48 SER HA 7.8 . . 0.1 31 3JHNHA 49 ARG H 49 ARG HA 7.6 . . 0.1 32 3JHNHA 50 ARG H 50 ARG HA 8.0 . . 0.1 33 3JHNHA 51 ALA H 51 ALA HA 5.8 . . 0.1 34 3JHNHA 53 GLN H 53 GLN HA 6.5 . . 0.1 35 3JHNHA 54 THR H 54 THR HA 6.4 . . 0.1 36 3JHNHA 56 ILE H 56 ILE HA 5.0 . . 0.1 37 3JHNHA 57 VAL H 57 VAL HA 4.3 . . 0.1 38 3JHNHA 58 ASP H 58 ASP HA 5.7 . . 0.1 39 3JHNHA 59 GLU H 59 GLU HA 5.5 . . 0.1 40 3JHNHA 60 CYS H 60 CYS HA 6.1 . . 0.1 41 3JHNHA 62 PHE H 62 PHE HA 6.4 . . 0.1 42 3JHNHA 64 SER H 64 SER HA 6.6 . . 0.1 43 3JHNHA 65 CYS H 65 CYS HA 7.6 . . 0.1 44 3JHNHA 66 ASP H 66 ASP HA 4.5 . . 0.1 45 3JHNHA 67 LEU H 67 LEU HA 5.4 . . 0.1 46 3JHNHA 68 ARG H 68 ARG HA 5.8 . . 0.1 47 3JHNHA 69 ARG H 69 ARG HA 3.7 . . 0.1 48 3JHNHA 70 LEU H 70 LEU HA 4.9 . . 0.1 49 3JHNHA 71 GLU H 71 GLU HA 5.6 . . 0.1 50 3JHNHA 72 MET H 72 MET HA 6.2 . . 0.1 51 3JHNHA 73 LEU H 73 LEU HA 4.2 . . 0.1 52 3JHNHA 74 CYS H 74 CYS HA 6.1 . . 0.1 53 3JHNHA 75 ALA H 75 ALA HA 5.3 . . 0.1 54 3JHNHA 77 LEU H 77 LEU HA 8.4 . . 0.1 55 3JHNHA 78 LYS H 78 LYS HA 7.7 . . 0.1 56 3JHNHA 80 ALA H 80 ALA HA 6.3 . . 0.1 57 3JHNHA 81 LYS H 81 LYS HA 7.5 . . 0.1 58 3JHNHA 82 SER H 82 SER HA 6.6 . . 0.1 59 3JHNHA 83 ALA H 83 ALA HA 7.5 . . 0.1 stop_ save_