data_4204 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Three-Dimensional Structure of Human Insulin-Like Growth Factor-I (IGF-I) Determined by 1H-NMR and Distance Geometry ; _BMRB_accession_number 4204 _BMRB_flat_file_name bmr4204.str _Entry_type original _Submission_date 1997-09-21 _Accession_date 1997-09-21 _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 Sato A. . . 2 Nishimura S. . . 3 Ohkubo T. . . 4 Kyogoku Y. . . 5 Koyama S. . . 6 Kobayashi M. . . 7 Kobayashi T. Y. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 399 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-12-22 original author . stop_ _Original_release_date 1999-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Sato, A., Nishumura, S., Ohkubo, T.,Kyogoku, Y., Koyama, S., Kobatashi, M., Yasuda,T., Kobayashi, Y., "Three-Dimensional Structure of Human Insulin-like Growth Factor-I (IGF-I) Determined by 1H-NMR and Distance Geometry," Int. J. Pept Protein Res. 41, 433-440 (1993). ; _Citation_title ; Three-Dimensional Structure of Human Insulin-like Growth Factor-I (IGF-I) Determined by 1H-NMR and Distance Geometry ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 93307857 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato A. . . 2 Nishumura S. . . 3 Ohkubo T. . . 4 Kyogoku Y. . . 5 Koyama S. . . 6 Kobatashi M. . . 7 Yasuda T. . . 8 Kobayashi Y. . . stop_ _Journal_abbreviation 'Int. J. Pept. Protein Res.' _Journal_name_full 'International Journal of Peptide and Protein Research' _Journal_volume 41 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 433 _Page_last 440 _Year 1993 _Details . loop_ _Keyword 'distance geometry' 'human insulin-like growth factor-I' 'solution conformation' 'two-dimensional nuclear magnetic resonance' stop_ save_ ################################## # Molecular system description # ################################## save_system_IGF-I _Saveframe_category molecular_system _Mol_system_name 'Insulin-like growth factor-I (Somatomedin C)' _Abbreviation_common IGF-I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IGF-I $IGF-I stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully oxidized' loop_ _Biological_function 'growth hormone' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IGF-I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Insulin-like growth factor-I (Somatomedin C)' _Abbreviation_common IGF-I _Molecular_mass 7649 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GPETLCGAELVDALQFVCGD RGFYFNKPTGYGSSSRRAPQ TGIVDECCFRSCDLRRLEMY CAPLKPAKSA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 GLU 4 THR 5 LEU 6 CYS 7 GLY 8 ALA 9 GLU 10 LEU 11 VAL 12 ASP 13 ALA 14 LEU 15 GLN 16 PHE 17 VAL 18 CYS 19 GLY 20 ASP 21 ARG 22 GLY 23 PHE 24 TYR 25 PHE 26 ASN 27 LYS 28 PRO 29 THR 30 GLY 31 TYR 32 GLY 33 SER 34 SER 35 SER 36 ARG 37 ARG 38 ALA 39 PRO 40 GLN 41 THR 42 GLY 43 ILE 44 VAL 45 ASP 46 GLU 47 CYS 48 CYS 49 PHE 50 ARG 51 SER 52 CYS 53 ASP 54 LEU 55 ARG 56 ARG 57 LEU 58 GLU 59 MET 60 TYR 61 CYS 62 ALA 63 PRO 64 LEU 65 LYS 66 PRO 67 ALA 68 LYS 69 SER 70 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) 100.00 70 100.00 100.00 1.03e-42 BMRB 2498 "insulin-like growth factor-I" 100.00 70 100.00 100.00 1.03e-42 BMRB 4069 "Long-[Arg-3]-Insulin-Like Growth Factor-I" 100.00 83 98.57 98.57 4.53e-42 BMRB 4278 IGF-I 100.00 83 98.57 98.57 7.15e-42 BMRB 4494 IGF-I 100.00 83 98.57 98.57 4.53e-42 PDB 1BQT "Three-Dimensional Structure Of Human Insulin-Like Growth Factor-I (Igf-I) Determined By 1h-Nmr And Distance Geometry, 6 Structu" 100.00 70 100.00 100.00 1.03e-42 PDB 1GZR "Human Insulin-Like Growth Factor; Esrf Data" 100.00 70 100.00 100.00 1.03e-42 PDB 1GZY "Human Insulin-Like Growth Factor; In-House Data" 100.00 70 100.00 100.00 1.03e-42 PDB 1GZZ "Human Insulin-Like Growth Factor; Hamburg Data" 100.00 70 100.00 100.00 1.03e-42 PDB 1H02 "Human Insulin-Like Growth Factor; Srs Daresbury Data" 100.00 70 100.00 100.00 1.03e-42 PDB 1H59 "Complex Of Igfbp-5 With Igf-I" 100.00 70 100.00 100.00 1.03e-42 PDB 1IMX "1.8 Angstrom Crystal Structure Of Igf-1" 100.00 70 100.00 100.00 1.03e-42 PDB 1PMX "Insulin-Like Growth Factor-I Bound To A Phage-Derived Peptide" 100.00 70 100.00 100.00 1.03e-42 PDB 1WQJ "Structural Basis For The Regulation Of Insulin-Like Growth Factors (Igfs) By Igf Binding Proteins (Igfbps)" 100.00 70 100.00 100.00 1.03e-42 PDB 2DSP "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" 100.00 70 100.00 100.00 1.03e-42 PDB 2DSQ "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" 100.00 70 100.00 100.00 1.03e-42 PDB 2DSR "Structural Basis For The Inhibition Of Insulin-Like Growth Factors By Igf Binding Proteins" 100.00 70 100.00 100.00 1.03e-42 PDB 2GF1 "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" 100.00 70 100.00 100.00 1.03e-42 PDB 3GF1 "Solution Structure Of Human Insulin-Like Growth Factor 1: A Nuclear Magnetic Resonance And Restrained Molecular Dynamics Study" 100.00 70 100.00 100.00 1.03e-42 PDB 3LRI "Solution Structure And Backbone Dynamics Of Long-[arg(3) ]insulin-Like Growth Factor-I" 100.00 83 97.14 97.14 2.10e-40 PDB 4XSS "Insulin-like Growth Factor I In Complex With Site 1 Of A Hybrid Insulin Receptor / Type 1 Insulin-like Growth Factor Receptor" 100.00 70 100.00 100.00 1.03e-42 DBJ BAA01200 "Met-somatomedin C polypeptide [synthetic construct]" 100.00 71 100.00 100.00 8.76e-43 DBJ BAA01976 "prepro IGF-I [Capra hircus]" 100.00 154 98.57 98.57 1.33e-42 DBJ BAA07897 "insulin-like growth factor I precursor [Suncus murinus]" 100.00 81 98.57 100.00 1.25e-42 DBJ BAB77524 "insulin-like growth factor-I [Capra hircus]" 100.00 159 98.57 98.57 1.10e-42 DBJ BAD92421 "insulin-like growth factor 1 (somatomedin C); insulin-like growth factor 1 (somatomedia C) variant [Homo sapiens]" 100.00 184 100.00 100.00 5.89e-43 EMBL CAA24998 "insulin-like growth factor 1A precursor [Homo sapiens]" 100.00 153 100.00 100.00 2.34e-43 EMBL CAA27153 "unnamed protein product [Homo sapiens]" 62.86 60 100.00 100.00 1.94e-22 EMBL CAA28759 "unnamed protein product [synthetic construct]" 100.00 137 100.00 100.00 3.61e-43 EMBL CAA33746 "prepro-insulin-like growth factor I [Bos taurus]" 100.00 153 100.00 100.00 3.68e-43 EMBL CAA35098 "insuline-like growth factor-I (2) [Ovis aries]" 100.00 138 98.57 98.57 8.77e-43 GB AAA31043 "insulin-like growth factor I precursor [Sus scrofa]" 100.00 130 100.00 100.00 5.78e-44 GB AAA31544 "insulin-like growth factor I, partial [Ovis aries]" 92.86 81 96.92 96.92 9.24e-38 GB AAA31545 "insulin-like growth factor I precursor [Ovis aries]" 100.00 130 98.57 98.57 9.62e-43 GB AAA31546 "insulin-like growth factor I precursor A [Ovis aries]" 100.00 154 98.57 98.57 3.53e-42 GB AAA31547 "insulin-like growth factor I precursor A' [Ovis aries]" 100.00 130 98.57 98.57 9.62e-43 PIR S22878 "insulin-like growth factor I precursor, splice form 2 - sheep" 100.00 138 98.57 98.57 8.77e-43 PRF 0912651A "somatomedin C" 100.00 70 100.00 100.00 1.03e-42 PRF 1001199A "insulin-like growth factor I precursor" 100.00 156 100.00 100.00 2.21e-43 PRF 1203258A "insulin-like growth factor I" 100.00 130 100.00 100.00 5.91e-44 PRF 1707201A "insulin-like growth factor 1" 100.00 70 97.14 97.14 4.73e-41 PRF 2001274A "insulin-like growth factor I" 100.00 70 97.14 98.57 1.01e-41 REF NP_000609 "insulin-like growth factor I isoform 4 preproprotein [Homo sapiens]" 100.00 153 100.00 100.00 2.34e-43 REF NP_001009774 "insulin-like growth factor I precursor [Ovis aries]" 100.00 154 98.57 98.57 3.53e-42 REF NP_001071296 "insulin-like growth factor I preproprotein [Bos taurus]" 100.00 154 100.00 100.00 3.75e-43 REF NP_001075495 "insulin-like growth factor I precursor [Oryctolagus cuniculus]" 100.00 143 98.57 100.00 2.58e-43 REF NP_001075967 "insulin-like growth factor I precursor [Equus caballus]" 100.00 153 100.00 100.00 2.39e-43 SP P05019 "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Mechano growth factor; Short=MGF; AltName: Full=Somatome" 100.00 195 100.00 100.00 8.71e-43 SP P07455 "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" 100.00 154 100.00 100.00 3.75e-43 SP P10763 "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" 100.00 154 98.57 98.57 3.53e-42 SP P16545 "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" 100.00 153 100.00 100.00 2.41e-43 SP P17647 "RecName: Full=Insulin-like growth factor I; Short=IGF-I; AltName: Full=Somatomedin; Flags: Precursor" 100.00 130 100.00 100.00 6.81e-44 TPG DAA29731 "TPA: insulin-like growth factor I precursor [Bos taurus]" 100.00 154 100.00 100.00 3.75e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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_name $IGF-I 'recombinant technology' 'E. coli' Escherichia coli . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IGF-I 10 mM 5 10 . D20 90 % . . . 'acetic acid' 10 % . . [U-2H] stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IGF-I 10 mM 5 10 . D20 10 % . . . H20 80 % . . . 'acetic acid' 10 % . . [U-2H] stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model GSX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_ph_dependence_experiment_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'ph dependence experiment' _Sample_label $sample_one save_ save_temperature_dependence_experiment_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'temperature dependence experiment' _Sample_label $sample_one save_ save_H/D_exchange_experiment_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'H/D exchange experiment' _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.1 n/a temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP H 1 'methyl protons' ppm 0.00 internal direct spherical internal parallel_to_Bo 1.00 $entry_citation $entry_citation 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_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . 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 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 GLY HA2 H 3.91 0.003 2 2 . 1 GLY HA3 H 3.57 0.003 2 3 . 2 PRO HA H 4.44 0.003 1 4 . 2 PRO HB2 H 2.22 0.003 1 5 . 2 PRO HB3 H 2.22 0.003 1 6 . 2 PRO HG2 H 1.96 0.003 2 7 . 2 PRO HG3 H 1.90 0.003 2 8 . 2 PRO HD2 H 3.58 0.003 2 9 . 2 PRO HD3 H 3.52 0.003 2 10 . 3 GLU H H 8.54 0.003 1 11 . 3 GLU HA H 4.47 0.003 1 12 . 3 GLU HB2 H 2.11 0.003 2 13 . 3 GLU HB3 H 1.94 0.003 2 14 . 3 GLU HG2 H 2.41 0.003 1 15 . 3 GLU HG3 H 2.41 0.003 1 16 . 4 THR H H 7.92 0.003 1 17 . 4 THR HA H 4.41 0.003 1 18 . 4 THR HB H 4.25 0.003 1 19 . 4 THR HG2 H 1.07 0.003 1 20 . 5 LEU H H 8.20 0.003 1 21 . 5 LEU HA H 4.37 0.003 1 22 . 5 LEU HB2 H 1.53 0.003 1 23 . 5 LEU HB3 H 1.53 0.003 1 24 . 5 LEU HG H 1.40 0.003 1 25 . 5 LEU HD1 H 0.70 0.003 1 26 . 5 LEU HD2 H 0.70 0.003 1 27 . 6 CYS H H 8.09 0.003 1 28 . 6 CYS HA H 4.56 0.003 1 29 . 6 CYS HB2 H 3.00 0.003 1 30 . 6 CYS HB3 H 3.00 0.003 1 31 . 7 GLY H H 8.49 0.003 1 32 . 7 GLY HA2 H 3.87 0.003 2 33 . 7 GLY HA3 H 3.67 0.003 2 34 . 8 ALA H H 8.40 0.003 1 35 . 8 ALA HA H 3.99 0.003 1 36 . 8 ALA HB H 1.38 0.003 1 37 . 9 GLU H H 7.97 0.003 1 38 . 9 GLU HA H 4.01 0.003 1 39 . 9 GLU HB2 H 2.16 0.003 1 40 . 9 GLU HB3 H 2.16 0.003 1 41 . 9 GLU HG2 H 2.52 0.003 2 42 . 9 GLU HG3 H 2.44 0.003 2 43 . 10 LEU H H 7.40 0.003 1 44 . 10 LEU HA H 3.86 0.003 1 45 . 10 LEU HB2 H 1.66 0.003 1 46 . 10 LEU HB3 H 1.66 0.003 1 47 . 10 LEU HG H 1.31 0.003 1 48 . 10 LEU HD1 H 0.66 0.003 2 49 . 10 LEU HD2 H 0.64 0.003 2 50 . 11 VAL H H 7.42 0.003 1 51 . 11 VAL HA H 3.30 0.003 1 52 . 11 VAL HB H 2.01 0.003 1 53 . 11 VAL HG1 H 0.90 0.003 1 54 . 11 VAL HG2 H 0.90 0.003 1 55 . 12 ASP H H 7.99 0.003 1 56 . 12 ASP HA H 4.34 0.003 1 57 . 12 ASP HB2 H 2.90 0.003 2 58 . 12 ASP HB3 H 2.75 0.003 2 59 . 13 ALA H H 7.86 0.003 1 60 . 13 ALA HA H 4.03 0.003 1 61 . 13 ALA HB H 1.32 0.003 1 62 . 14 LEU H H 8.12 0.003 1 63 . 14 LEU HA H 3.78 0.003 1 64 . 14 LEU HB2 H 1.20 0.003 1 65 . 14 LEU HB3 H 1.20 0.003 1 66 . 14 LEU HG H 1.38 0.003 1 67 . 14 LEU HD1 H 0.58 0.003 2 68 . 14 LEU HD2 H 0.36 0.003 2 69 . 15 GLN H H 8.07 0.003 1 70 . 15 GLN HA H 4.04 0.003 1 71 . 15 GLN HB2 H 2.16 0.003 2 72 . 15 GLN HB3 H 2.02 0.003 2 73 . 15 GLN HG2 H 2.45 0.003 2 74 . 15 GLN HG3 H 2.35 0.003 2 75 . 15 GLN HE21 H 7.12 0.003 2 76 . 15 GLN HE22 H 6.66 0.003 2 77 . 16 PHE H H 7.64 0.003 1 78 . 16 PHE HA H 4.36 0.003 1 79 . 16 PHE HB2 H 3.17 0.003 1 80 . 16 PHE HB3 H 3.17 0.003 1 81 . 16 PHE HD1 H 7.14 0.003 1 82 . 16 PHE HD2 H 7.14 0.003 1 83 . 16 PHE HE1 H 7.18 0.003 1 84 . 16 PHE HE2 H 7.18 0.003 1 85 . 17 VAL H H 8.45 0.003 1 86 . 17 VAL HA H 3.63 0.003 1 87 . 17 VAL HB H 2.02 0.003 1 88 . 17 VAL HG1 H 1.04 0.003 2 89 . 17 VAL HG2 H 0.87 0.003 2 90 . 18 CYS H H 8.49 0.003 1 91 . 18 CYS HA H 4.78 0.003 1 92 . 18 CYS HB2 H 3.28 0.003 2 93 . 18 CYS HB3 H 2.87 0.003 2 94 . 19 GLY H H 7.65 0.003 1 95 . 19 GLY HA2 H 3.93 0.003 1 96 . 19 GLY HA3 H 3.93 0.003 1 97 . 20 ASP H H 8.63 0.003 1 98 . 20 ASP HA H 4.53 0.003 1 99 . 20 ASP HB2 H 2.86 0.003 1 100 . 20 ASP HB3 H 2.86 0.003 1 101 . 21 ARG H H 7.98 0.003 1 102 . 21 ARG HA H 4.16 0.003 1 103 . 21 ARG HB2 H 1.89 0.003 9 104 . 21 ARG HB3 H 1.98 0.003 9 105 . 21 ARG HG2 H 1.74 0.003 1 106 . 21 ARG HG3 H 1.74 0.003 9 107 . 21 ARG HD2 H 3.23 0.003 1 108 . 21 ARG HD3 H 3.23 0.003 1 109 . 21 ARG HE H 7.07 0.003 1 110 . 22 GLY H H 7.45 0.003 1 111 . 22 GLY HA2 H 3.95 0.003 2 112 . 22 GLY HA3 H 3.72 0.003 2 113 . 23 PHE H H 7.48 0.003 1 114 . 23 PHE HA H 4.99 0.003 1 115 . 23 PHE HB2 H 3.09 0.003 2 116 . 23 PHE HB3 H 2.82 0.003 2 117 . 23 PHE HD1 H 6.79 0.003 1 118 . 23 PHE HD2 H 6.79 0.003 1 119 . 23 PHE HE1 H 7.12 0.003 1 120 . 23 PHE HE2 H 7.12 0.003 1 121 . 23 PHE HZ H 7.07 0.003 1 122 . 24 TYR H H 8.38 0.003 1 123 . 24 TYR HA H 4.63 0.003 1 124 . 24 TYR HB2 H 3.02 0.003 2 125 . 24 TYR HB3 H 2.85 0.003 2 126 . 24 TYR HD1 H 6.99 0.003 1 127 . 24 TYR HD2 H 6.99 0.003 1 128 . 24 TYR HE1 H 6.72 0.003 1 129 . 24 TYR HE2 H 6.72 0.003 1 130 . 25 PHE H H 8.11 0.003 1 131 . 25 PHE HA H 4.64 0.003 1 132 . 25 PHE HB2 H 3.08 0.003 2 133 . 25 PHE HB3 H 2.91 0.003 2 134 . 25 PHE HD1 H 7.09 0.003 1 135 . 25 PHE HD2 H 7.09 0.003 1 136 . 26 ASN H H 8.04 0.003 1 137 . 26 ASN HA H 4.75 0.003 1 138 . 26 ASN HB2 H 2.71 0.003 2 139 . 26 ASN HB3 H 2.61 0.003 2 140 . 26 ASN HD21 H 7.41 0.003 2 141 . 26 ASN HD22 H 6.78 0.003 2 142 . 27 LYS H H 8.05 0.003 1 143 . 27 LYS HA H 4.45 0.003 1 144 . 27 LYS HB2 H 1.71 0.003 2 145 . 27 LYS HB3 H 1.61 0.003 2 146 . 27 LYS HG2 H 1.34 0.003 1 147 . 27 LYS HG3 H 1.34 0.003 1 148 . 27 LYS HD2 H 1.56 0.003 1 149 . 27 LYS HD3 H 1.56 0.003 1 150 . 27 LYS HE2 H 2.89 0.003 1 151 . 27 LYS HE3 H 2.89 0.003 1 152 . 28 PRO HA H 4.42 0.003 1 153 . 28 PRO HB2 H 2.15 0.003 1 154 . 28 PRO HB3 H 2.15 0.003 1 155 . 28 PRO HG2 H 1.94 0.003 2 156 . 28 PRO HG3 H 1.87 0.003 2 157 . 28 PRO HD2 H 3.69 0.003 2 158 . 28 PRO HD3 H 3.54 0.003 2 159 . 29 THR H H 8.01 0.003 1 160 . 29 THR HA H 4.28 0.003 1 161 . 29 THR HB H 4.15 0.003 1 162 . 29 THR HG2 H 1.14 0.003 1 163 . 30 GLY H H 8.15 0.003 1 164 . 30 GLY HA2 H 3.91 0.003 2 165 . 30 GLY HA3 H 3.86 0.003 2 166 . 31 TYR H H 7.99 0.003 1 167 . 31 TYR HA H 4.51 0.003 1 168 . 31 TYR HB2 H 3.01 0.003 2 169 . 31 TYR HB3 H 2.91 0.003 2 170 . 31 TYR HD1 H 7.04 0.003 1 171 . 31 TYR HD2 H 7.04 0.003 1 172 . 31 TYR HE1 H 6.77 0.003 1 173 . 31 TYR HE2 H 6.77 0.003 1 174 . 32 GLY H H 8.26 0.003 1 175 . 32 GLY HA2 H 3.94 0.003 2 176 . 32 GLY HA3 H 3.86 0.003 2 177 . 33 SER H H 8.11 0.003 1 178 . 33 SER HA H 4.42 0.003 1 179 . 33 SER HB2 H 3.89 0.003 2 180 . 33 SER HB3 H 3.82 0.003 2 181 . 34 SER H H 8.27 0.003 1 182 . 34 SER HA H 4.46 0.003 1 183 . 34 SER HB2 H 3.93 0.003 2 184 . 34 SER HB3 H 3.85 0.003 2 185 . 35 SER H H 8.09 0.003 1 186 . 35 SER HA H 4.39 0.003 1 187 . 35 SER HB2 H 3.87 0.003 2 188 . 35 SER HB3 H 3.81 0.003 2 189 . 36 ARG H H 8.07 0.003 1 190 . 36 ARG HA H 4.28 0.003 1 191 . 36 ARG HB2 H 1.82 0.003 2 192 . 36 ARG HB3 H 1.07 0.003 2 193 . 36 ARG HG2 H 1.57 0.003 1 194 . 36 ARG HG3 H 1.57 0.003 1 195 . 36 ARG HD2 H 3.17 0.003 1 196 . 36 ARG HD3 H 3.17 0.003 1 197 . 36 ARG HE H 7.14 0.003 1 198 . 37 ARG H H 8.03 0.003 1 199 . 37 ARG HA H 4.29 0.003 1 200 . 37 ARG HB2 H 1.66 0.003 2 201 . 37 ARG HB3 H 1.55 0.003 2 202 . 37 ARG HG2 H 1.76 0.003 1 203 . 37 ARG HG3 H 1.76 0.003 1 204 . 37 ARG HD2 H 3.12 0.003 1 205 . 37 ARG HD3 H 3.12 0.003 1 206 . 37 ARG HE H 7.08 0.003 1 207 . 38 ALA H H 8.03 0.003 1 208 . 38 ALA HA H 4.54 0.003 1 209 . 38 ALA HB H 1.29 0.003 1 210 . 39 PRO HA H 4.38 0.003 1 211 . 39 PRO HB2 H 2.20 0.003 1 212 . 39 PRO HB3 H 2.20 0.003 1 213 . 39 PRO HG2 H 1.94 0.003 2 214 . 39 PRO HG3 H 1.83 0.003 2 215 . 39 PRO HD2 H 3.71 0.003 2 216 . 39 PRO HD3 H 3.58 0.003 2 217 . 40 GLN H H 8.37 0.003 1 218 . 40 GLN HA H 4.33 0.003 1 219 . 40 GLN HB2 H 2.08 0.003 2 220 . 40 GLN HB3 H 1.93 0.003 2 221 . 40 GLN HG2 H 2.32 0.003 1 222 . 40 GLN HG3 H 2.32 0.003 1 223 . 40 GLN HE21 H 7.35 0.003 2 224 . 40 GLN HE22 H 6.71 0.003 2 225 . 41 THR H H 7.93 0.003 1 226 . 41 THR HA H 4.29 0.003 1 227 . 41 THR HB H 4.20 0.003 1 228 . 41 THR HG2 H 1.16 0.003 1 229 . 42 GLY H H 8.34 0.003 1 230 . 42 GLY HA2 H 4.09 0.003 2 231 . 42 GLY HA3 H 4.02 0.003 2 232 . 43 ILE H H 7.78 0.003 1 233 . 43 ILE HA H 3.88 0.003 1 234 . 43 ILE HB H 1.36 0.003 1 235 . 43 ILE HG12 H 1.17 0.003 2 236 . 43 ILE HG13 H 0.94 0.003 2 237 . 43 ILE HG2 H 0.69 0.003 1 238 . 43 ILE HD1 H 0.61 0.003 1 239 . 44 VAL H H 7.77 0.003 1 240 . 44 VAL HA H 3.58 0.003 1 241 . 44 VAL HB H 1.91 0.003 1 242 . 44 VAL HG1 H 0.81 0.003 2 243 . 44 VAL HG2 H 0.71 0.003 2 244 . 45 ASP H H 7.89 0.003 1 245 . 45 ASP HA H 4.44 0.003 1 246 . 45 ASP HB2 H 3.01 0.003 2 247 . 45 ASP HB3 H 2.81 0.003 2 248 . 46 GLU H H 7.88 0.003 1 249 . 46 GLU HA H 4.11 0.003 1 250 . 46 GLU HB2 H 2.05 0.003 1 251 . 46 GLU HB3 H 2.05 0.003 1 252 . 46 GLU HG2 H 2.45 0.003 1 253 . 46 GLU HG3 H 2.45 0.003 1 254 . 47 CYS H H 8.13 0.003 1 255 . 47 CYS HA H 4.80 0.003 1 256 . 47 CYS HB2 H 3.20 0.003 2 257 . 47 CYS HB3 H 3.00 0.003 2 258 . 48 CYS H H 7.91 0.003 1 259 . 48 CYS HA H 4.50 0.003 1 260 . 48 CYS HB2 H 3.19 0.003 2 261 . 48 CYS HB3 H 2.70 0.003 2 262 . 49 PHE H H 7.73 0.003 1 263 . 49 PHE HA H 4.63 0.003 1 264 . 49 PHE HB2 H 3.32 0.003 2 265 . 49 PHE HB3 H 3.02 0.003 2 266 . 49 PHE HD1 H 7.21 0.003 1 267 . 49 PHE HD2 H 7.21 0.003 1 268 . 50 ARG H H 7.65 0.003 1 269 . 50 ARG HA H 4.46 0.003 1 270 . 50 ARG HB2 H 1.90 0.003 2 271 . 50 ARG HB3 H 1.81 0.003 2 272 . 50 ARG HG2 H 1.60 0.003 1 273 . 50 ARG HG3 H 1.60 0.003 1 274 . 50 ARG HD2 H 3.17 0.003 1 275 . 50 ARG HD3 H 3.17 0.003 1 276 . 50 ARG HE H 7.14 0.003 1 277 . 51 SER H H 7.83 0.003 1 278 . 51 SER HA H 4.45 0.003 1 279 . 51 SER HB2 H 3.76 0.003 1 280 . 51 SER HB3 H 3.76 0.003 1 281 . 52 CYS H H 8.87 0.003 1 282 . 52 CYS HA H 4.88 0.003 1 283 . 52 CYS HB2 H 3.28 0.003 2 284 . 52 CYS HB3 H 3.14 0.003 2 285 . 53 ASP H H 8.00 0.003 1 286 . 53 ASP HA H 4.66 0.003 1 287 . 53 ASP HB2 H 2.93 0.003 2 288 . 53 ASP HB3 H 2.80 0.003 2 289 . 54 LEU H H 8.35 0.003 1 290 . 54 LEU HA H 3.94 0.003 1 291 . 54 LEU HB2 H 1.58 0.003 1 292 . 54 LEU HB3 H 1.58 0.003 1 293 . 54 LEU HG H 1.65 0.003 1 294 . 54 LEU HD1 H 0.92 0.003 2 295 . 54 LEU HD2 H 0.84 0.003 2 296 . 55 ARG H H 7.98 0.003 1 297 . 55 ARG HA H 3.95 0.003 1 298 . 55 ARG HB2 H 1.68 0.003 2 299 . 55 ARG HB3 H 1.60 0.003 2 300 . 55 ARG HG2 H 1.81 0.003 1 301 . 55 ARG HG3 H 1.81 0.003 1 302 . 55 ARG HD2 H 3.18 0.003 1 303 . 55 ARG HD3 H 3.18 0.003 1 304 . 55 ARG HE H 7.31 0.003 1 305 . 56 ARG H H 7.70 0.003 1 306 . 56 ARG HA H 4.14 0.003 1 307 . 56 ARG HB2 H 1.98 0.003 2 308 . 56 ARG HB3 H 1.92 0.003 2 309 . 56 ARG HG2 H 1.74 0.003 1 310 . 56 ARG HG3 H 1.74 0.003 1 311 . 56 ARG HD2 H 3.28 0.003 1 312 . 56 ARG HD3 H 3.28 0.003 1 313 . 56 ARG HE H 7.35 0.003 1 314 . 57 LEU H H 7.80 0.003 1 315 . 57 LEU HA H 4.10 0.003 1 316 . 57 LEU HB2 H 1.50 0.003 1 317 . 57 LEU HB3 H 1.50 0.003 1 318 . 57 LEU HG H 1.72 0.003 1 319 . 57 LEU HD1 H 0.74 0.003 2 320 . 57 LEU HD2 H 0.71 0.003 2 321 . 58 GLU H H 7.89 0.003 1 322 . 58 GLU HA H 4.15 0.003 1 323 . 58 GLU HB2 H 2.06 0.003 1 324 . 58 GLU HB3 H 2.06 0.003 1 325 . 58 GLU HG2 H 2.52 0.003 2 326 . 58 GLU HG3 H 2.36 0.003 2 327 . 59 MET H H 7.54 0.003 1 328 . 59 MET HA H 4.16 0.003 1 329 . 59 MET HB2 H 1.99 0.003 2 330 . 59 MET HB3 H 1.87 0.003 2 331 . 59 MET HG2 H 2.46 0.003 1 332 . 59 MET HG3 H 2.46 0.003 1 333 . 59 MET HE H 1.87 0.003 1 334 . 60 TYR H H 7.82 0.003 1 335 . 60 TYR HA H 4.44 0.003 1 336 . 60 TYR HB2 H 3.43 0.003 2 337 . 60 TYR HB3 H 2.88 0.003 2 338 . 60 TYR HD1 H 7.26 0.003 1 339 . 60 TYR HD2 H 7.26 0.003 1 340 . 60 TYR HE1 H 6.69 0.003 1 341 . 60 TYR HE2 H 6.69 0.003 1 342 . 61 CYS H H 7.37 0.003 1 343 . 61 CYS HA H 4.98 0.003 1 344 . 61 CYS HB2 H 3.16 0.003 2 345 . 61 CYS HB3 H 2.80 0.003 2 346 . 62 ALA H H 8.18 0.003 1 347 . 62 ALA HA H 4.38 0.003 1 348 . 62 ALA HB H 1.19 0.003 1 349 . 63 PRO HA H 4.33 0.003 1 350 . 63 PRO HB2 H 2.22 0.003 1 351 . 63 PRO HB3 H 2.22 0.003 1 352 . 63 PRO HG2 H 1.95 0.003 2 353 . 63 PRO HG3 H 1.86 0.003 2 354 . 63 PRO HD2 H 3.75 0.003 2 355 . 63 PRO HD3 H 3.58 0.003 2 356 . 64 LEU H H 8.12 0.003 1 357 . 64 LEU HA H 4.21 0.003 1 358 . 64 LEU HB2 H 1.53 0.003 1 359 . 64 LEU HB3 H 1.53 0.003 1 360 . 64 LEU HG H 1.50 0.003 1 361 . 64 LEU HD1 H 0.86 0.003 2 362 . 64 LEU HD2 H 0.82 0.003 2 363 . 65 LYS H H 8.13 0.003 1 364 . 65 LYS HA H 4.56 0.003 1 365 . 65 LYS HB2 H 1.76 0.003 2 366 . 65 LYS HB3 H 1.64 0.003 2 367 . 65 LYS HG2 H 1.40 0.003 1 368 . 65 LYS HG3 H 1.40 0.003 1 369 . 65 LYS HD2 H 1.65 0.003 1 370 . 65 LYS HD3 H 1.65 0.003 1 371 . 65 LYS HE2 H 2.97 0.003 1 372 . 65 LYS HE3 H 2.97 0.003 1 373 . 66 PRO HA H 4.35 0.003 1 374 . 66 PRO HB2 H 2.21 0.003 1 375 . 66 PRO HB3 H 2.21 0.003 1 376 . 66 PRO HG2 H 1.93 0.003 2 377 . 66 PRO HG3 H 1.85 0.003 2 378 . 66 PRO HD2 H 3.75 0.003 2 379 . 66 PRO HD3 H 3.58 0.003 2 380 . 67 ALA H H 8.22 0.003 1 381 . 67 ALA HA H 4.26 0.003 1 382 . 67 ALA HB H 1.34 0.003 1 383 . 68 LYS H H 8.10 0.003 9 384 . 68 LYS HA H 4.30 0.003 1 385 . 68 LYS HB2 H 1.80 0.003 2 386 . 68 LYS HB3 H 1.72 0.003 2 387 . 68 LYS HG2 H 1.39 0.003 1 388 . 68 LYS HG3 H 1.39 0.003 1 389 . 68 LYS HD2 H 1.64 0.003 1 390 . 68 LYS HD3 H 1.64 0.003 1 391 . 68 LYS HE2 H 2.97 0.003 1 392 . 68 LYS HE3 H 2.97 0.003 1 393 . 69 SER H H 8.14 0.003 1 394 . 69 SER HA H 4.40 0.003 1 395 . 69 SER HB2 H 3.90 0.003 2 396 . 69 SER HB3 H 3.83 0.003 2 397 . 70 ALA H H 8.12 0.003 9 398 . 70 ALA HA H 4.33 0.003 1 399 . 70 ALA HB H 1.27 0.003 1 stop_ save_