data_6579 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A structural Model for the Membrane-Bound Form of the Juxtamembrane Domain of the Epidermal Growth Factor Receptor ; _BMRB_accession_number 6579 _BMRB_flat_file_name bmr6579.str _Entry_type original _Submission_date 2005-04-02 _Accession_date 2005-04-04 _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 Choowongkomon Kiattawee . . 2 Carlin Cathleen R. . 3 Sonnichsen Frank D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 heteronucl_NOE 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 330 "13C chemical shifts" 238 "15N chemical shifts" 51 "residual dipolar couplings" 47 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-22 original author . stop_ _Original_release_date 2005-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A structural model for the membrane-bound form of the juxtamembrane domain of the epidermal growth factor receptor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15840573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Choowongkomon Kiattawee . . 2 Carlin Cathleen R. . 3 Sonnichsen Frank D. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 25 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 24043 _Page_last 24052 _Year 2005 _Details . loop_ _Keyword 'juxtamembrane structure EGFR micelle' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'JX EGFR monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'JX EGFR monomer' $juxtamembrane_EGFR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_juxtamembrane_EGFR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'JX EGFR' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; RRRHIVRKRTLRRLLQEREL VEPLTPSGEAPNQALLRILK ETEFKKIKVLGSG ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 ARG 3 ARG 4 HIS 5 ILE 6 VAL 7 ARG 8 LYS 9 ARG 10 THR 11 LEU 12 ARG 13 ARG 14 LEU 15 LEU 16 GLN 17 GLU 18 ARG 19 GLU 20 LEU 21 VAL 22 GLU 23 PRO 24 LEU 25 THR 26 PRO 27 SER 28 GLY 29 GLU 30 ALA 31 PRO 32 ASN 33 GLN 34 ALA 35 LEU 36 LEU 37 ARG 38 ILE 39 LEU 40 LYS 41 GLU 42 THR 43 GLU 44 PHE 45 LYS 46 LYS 47 ILE 48 LYS 49 VAL 50 LEU 51 GLY 52 SER 53 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 18888 EGFR_TM-JM 54.72 60 100.00 100.00 5.62e-09 PDB 1M14 "Tyrosine Kinase Domain From Epidermal Growth Factor Receptor" 50.94 333 100.00 100.00 6.21e-07 PDB 1M17 "Epidermal Growth Factor Receptor Tyrosine Kinase Domain With 4-Anilinoquinazoline Inhibitor Erlotinib" 50.94 333 100.00 100.00 6.21e-07 PDB 1XKK "Egfr Kinase Domain Complexed With A Quinazoline Inhibitor- Gw572016" 50.94 352 100.00 100.00 5.46e-07 PDB 1Z9I "A Structural Model For The Membrane-Bound Form Of The Juxtamembrane Domain Of The Epidermal Growth Factor Receptor" 100.00 53 100.00 100.00 1.70e-26 PDB 2EB3 "Crystal Structure Of Mutated Egfr Kinase Domain (L858r) In Complex With Amppnp" 50.94 334 100.00 100.00 9.07e-07 PDB 2JIU "Crystal Structure Of Egfr Kinase Domain T790m Mutation In Complex With Aee788" 50.94 328 100.00 100.00 7.04e-07 PDB 2JIV "Crystal Structure Of Egfr Kinase Domain T790m Mutation In Compex With Hki-272" 50.94 328 100.00 100.00 7.04e-07 PDB 2M20 "Egfr Transmembrane - Juxtamembrane (tm-jm) Segment In Bicelles: Md Guided Nmr Refined Structure" 54.72 60 100.00 100.00 5.62e-09 PDB 3GOP "Crystal Structure Of The Egf Receptor Juxtamembrane And Kinase Domains" 100.00 361 100.00 100.00 3.60e-25 PDB 3VJO "Crystal Structure Of The Wild-type Egfr Kinase Domain In Complex With Amppnp" 50.94 334 100.00 100.00 7.60e-07 PDB 4I1Z "Crystal Structure Of The Monomeric (v948r) Form Of The Gefitinib/erlotinib Resistant Egfr Kinase Domain L858r+t790m" 50.94 329 100.00 100.00 9.89e-07 PDB 4I20 "Crystal Structure Of Monomeric (v948r) Primary Oncogenic Mutant L858r Egfr Kinase Domain" 50.94 329 100.00 100.00 1.97e-07 PDB 4I21 "Crystal Structure Of L858r + T790m Egfr Kinase Domain In Complex With Mig6 Peptide" 50.94 329 100.00 100.00 8.04e-07 PDB 4I22 "Structure Of The Monomeric (v948r)gefitinib/erlotinib Resistant Double Mutant (l858r+t790m) Egfr Kinase Domain Co-crystallized " 50.94 329 100.00 100.00 9.89e-07 PDB 4I23 "Crystal Structure Of The Wild-type Egfr Kinase Domain In Complex With Dacomitinib (soaked)" 50.94 329 100.00 100.00 6.47e-07 PDB 4I24 "Structure Of T790m Egfr Kinase Domain Co-crystallized With Dacomitinib" 50.94 329 100.00 100.00 6.41e-07 PDB 4RIW "Crystal Structure Of An Egfr/her3 Kinase Domain Heterodimer" 75.47 345 100.00 100.00 2.13e-16 PDB 4RIX "Crystal Structure Of An Egfr/her3 Kinase Domain Heterodimer Containing The Cancer-associated Her3-q790r Mutation" 75.47 345 100.00 100.00 2.13e-16 PDB 4RIY "Crystal Structure Of An Egfr/her3 Kinase Domain Heterodimer Containing The Cancer-associated Her3-e909g Mutation" 75.47 345 100.00 100.00 2.13e-16 PDB 4RJ4 "Egfr Kinase (t790m/l858r) With Inhibitor Compound 6" 50.94 331 100.00 100.00 4.85e-07 PDB 4RJ5 "Egfr Kinase (t790m/l858r) With Inhibitor Compound 5" 50.94 331 100.00 100.00 4.85e-07 PDB 4RJ6 "Egfr Kinase (t790m/l858r) With Inhibitor Compound 4" 50.94 331 100.00 100.00 4.85e-07 PDB 4RJ7 "Egfr Kinase (t790m/l858r) With Inhibitor Compound 1" 50.94 331 100.00 100.00 4.85e-07 PDB 4RJ8 "Egfr Kinase (t790m/l858r) With Inhibitor Compound 8" 50.94 331 100.00 100.00 4.85e-07 PDB 4TKS "Native-sad Phasing For Human Egfr Kinase Domain" 50.94 332 100.00 100.00 6.18e-07 DBJ BAD92679 "epidermal growth factor receptor isoform a variant [Homo sapiens]" 100.00 1081 100.00 100.00 1.77e-26 DBJ BAF62298 "epidermal growth factor receptor [Sus scrofa]" 100.00 1204 98.11 100.00 5.97e-26 DBJ BAF83041 "unnamed protein product [Homo sapiens]" 100.00 1210 100.00 100.00 2.32e-26 DBJ BAH11869 "unnamed protein product [Homo sapiens]" 100.00 1157 98.11 100.00 8.97e-26 DBJ BAI46646 "epidermal growth factor receptor [synthetic construct]" 100.00 1210 100.00 100.00 2.28e-26 EMBL CAA25240 "epidermal growth factor receptor [Homo sapiens]" 100.00 1210 100.00 100.00 2.63e-26 EMBL CAA25282 "unnamed protein product [Homo sapiens]" 100.00 800 100.00 100.00 9.61e-27 EMBL CAA42219 "EGF-receptor [Mus musculus]" 83.02 714 97.73 97.73 6.84e-20 EMBL CAA55587 "epidermal growth factor receptor [Mus musculus]" 100.00 1210 98.11 98.11 2.17e-25 EMBL CDQ63296 "unnamed protein product [Oncorhynchus mykiss]" 100.00 564 100.00 100.00 1.92e-25 GB AAA17899 "EGF receptor [Mus musculus]" 100.00 1210 98.11 98.11 1.99e-25 GB AAG24386 "epidermal growth factor receptor [Mus musculus]" 100.00 1210 98.11 98.11 2.17e-25 GB AAG28045 "epidermal growth factor receptor isoform 1 [Mus musculus]" 100.00 1210 98.11 98.11 2.17e-25 GB AAG35789 "p170 epidermal growth factor receptor [Homo sapiens]" 100.00 1210 100.00 100.00 2.32e-26 GB AAH94761 "EGFR protein [Homo sapiens]" 100.00 1091 100.00 100.00 3.48e-26 PRF 1006266A "epidermal growth factor receptor" 100.00 1210 100.00 100.00 2.63e-26 PRF 1007208A "epidermal growth factor receptor" 98.11 797 98.08 98.08 1.39e-24 REF NP_005219 "epidermal growth factor receptor isoform a precursor [Homo sapiens]" 100.00 1210 100.00 100.00 2.32e-26 REF NP_919405 "epidermal growth factor receptor precursor [Danio rerio]" 100.00 1191 98.11 98.11 1.23e-25 REF NP_997538 "epidermal growth factor receptor isoform 1 precursor [Mus musculus]" 100.00 1210 98.11 98.11 2.17e-25 REF NP_999172 "epidermal growth factor receptor precursor [Sus scrofa]" 100.00 1209 98.11 100.00 6.54e-26 REF XP_001107305 "PREDICTED: epidermal growth factor receptor, partial [Macaca mulatta]" 100.00 1120 100.00 100.00 2.19e-26 SP P00533 "RecName: Full=Epidermal growth factor receptor; AltName: Full=Proto-oncogene c-ErbB-1; AltName: Full=Receptor tyrosine-protein " 100.00 1210 100.00 100.00 2.32e-26 SP P55245 "RecName: Full=Epidermal growth factor receptor; Flags: Precursor [Macaca mulatta]" 100.00 1210 100.00 100.00 2.39e-26 SP Q01279 "RecName: Full=Epidermal growth factor receptor; Flags: Precursor [Mus musculus]" 100.00 1210 98.11 98.11 2.17e-25 TPG DAA17224 "TPA: epidermal growth factor receptor [Bos taurus]" 100.00 1185 98.11 100.00 7.31e-26 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $juxtamembrane_EGFR 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 $juxtamembrane_EGFR 'recombinant technology' 'E. Coli' . . . pGST-3X . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details 'DPC micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $juxtamembrane_EGFR 1.5 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details 'For processing the data' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 _Details 'For analysis and assigment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1N15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1N15N HSQC' _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HCC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH _Sample_label $sample_1 save_ save_CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label $sample_1 save_ save_15N_HSQC-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC-NOESY' _Sample_label $sample_1 save_ save_15/13C_HSQC-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15/13C HSQC-NOESY' _Sample_label $sample_1 save_ save_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'sample was put in dry acrylamide gel then compress in the NMR tube' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 pH temperature 308 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'JX EGFR monomer' _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 2 2 ARG HA H 4.379 0.02 1 2 2 2 ARG HB2 H 1.779 0.02 2 3 2 2 ARG HB3 H 1.803 0.02 2 4 2 2 ARG HG2 H 1.640 0.02 1 5 2 2 ARG HG3 H 1.640 0.02 1 6 2 2 ARG HD2 H 3.205 0.02 1 7 2 2 ARG HD3 H 3.205 0.02 1 8 2 2 ARG C C 175.742 0.1 1 9 2 2 ARG CA C 56.166 0.1 1 10 2 2 ARG CB C 30.917 0.1 1 11 2 2 ARG CG C 27.169 0.1 1 12 2 2 ARG CD C 43.310 0.1 1 13 3 3 ARG H H 8.510 0.02 1 14 3 3 ARG HA H 4.277 0.02 1 15 3 3 ARG HB2 H 1.739 0.02 1 16 3 3 ARG HB3 H 1.739 0.02 1 17 3 3 ARG HG2 H 1.572 0.02 1 18 3 3 ARG HG3 H 1.572 0.02 1 19 3 3 ARG HD2 H 3.265 0.02 2 20 3 3 ARG HD3 H 3.177 0.02 2 21 3 3 ARG C C 175.744 0.1 1 22 3 3 ARG CA C 56.097 0.1 1 23 3 3 ARG CB C 30.917 0.1 1 24 3 3 ARG CG C 27.162 0.1 1 25 3 3 ARG CD C 43.310 0.1 1 26 3 3 ARG N N 122.516 0.1 1 27 4 4 HIS H H 8.532 0.02 1 28 4 4 HIS HA H 4.780 0.02 1 29 4 4 HIS HB2 H 3.123 0.02 2 30 4 4 HIS HB3 H 3.223 0.02 2 31 4 4 HIS HD2 H 7.267 0.02 1 32 4 4 HIS C C 174.265 0.1 1 33 4 4 HIS CA C 55.326 0.1 1 34 4 4 HIS CB C 29.791 0.1 1 35 4 4 HIS N N 118.789 0.1 1 36 5 5 ILE H H 8.593 0.02 1 37 5 5 ILE HA H 4.084 0.02 1 38 5 5 ILE HB H 1.881 0.02 1 39 5 5 ILE HG12 H 1.502 0.02 2 40 5 5 ILE HG13 H 1.207 0.02 2 41 5 5 ILE HG2 H 0.907 0.02 1 42 5 5 ILE HD1 H 0.867 0.02 1 43 5 5 ILE C C 175.342 0.1 1 44 5 5 ILE CA C 62.087 0.1 1 45 5 5 ILE CB C 38.840 0.1 1 46 5 5 ILE CG1 C 27.775 0.1 1 47 5 5 ILE CG2 C 17.774 0.1 1 48 5 5 ILE CD1 C 13.268 0.1 1 49 5 5 ILE N N 121.509 0.1 1 50 6 6 VAL H H 7.887 0.02 1 51 6 6 VAL HA H 4.178 0.02 1 52 6 6 VAL HB H 2.088 0.02 1 53 6 6 VAL HG1 H 0.947 0.02 1 54 6 6 VAL C C 174.893 0.1 1 55 6 6 VAL CA C 61.711 0.1 1 56 6 6 VAL CB C 32.878 0.1 1 57 6 6 VAL CG1 C 21.154 0.1 1 58 6 6 VAL N N 120.334 0.1 1 59 7 7 ARG H H 8.377 0.02 1 60 7 7 ARG HA H 4.476 0.02 1 61 7 7 ARG HB2 H 1.855 0.02 2 62 7 7 ARG HB3 H 2.028 0.02 2 63 7 7 ARG HG2 H 1.671 0.02 2 64 7 7 ARG HG3 H 1.733 0.02 2 65 7 7 ARG HD2 H 3.218 0.02 1 66 7 7 ARG HD3 H 3.218 0.02 1 67 7 7 ARG C C 177.007 0.1 1 68 7 7 ARG CA C 55.687 0.1 1 69 7 7 ARG CB C 31.293 0.1 1 70 7 7 ARG CG C 27.513 0.1 1 71 7 7 ARG CD C 43.310 0.1 1 72 7 7 ARG N N 123.497 0.1 1 73 8 8 LYS H H 8.884 0.02 1 74 8 8 LYS HA H 3.973 0.02 1 75 8 8 LYS HB2 H 1.899 0.02 2 76 8 8 LYS HB3 H 1.866 0.02 2 77 8 8 LYS HG2 H 1.410 0.02 2 78 8 8 LYS HG3 H 1.557 0.02 2 79 8 8 LYS HD2 H 1.746 0.02 1 80 8 8 LYS HD3 H 1.746 0.02 1 81 8 8 LYS HE2 H 2.972 0.02 1 82 8 8 LYS HE3 H 2.972 0.02 1 83 8 8 LYS C C 178.037 0.1 1 84 8 8 LYS CA C 59.465 0.1 1 85 8 8 LYS CB C 32.421 0.1 1 86 8 8 LYS CG C 25.651 0.1 1 87 8 8 LYS CD C 29.399 0.1 1 88 8 8 LYS CE C 41.807 0.1 1 89 8 8 LYS N N 123.387 0.1 1 90 9 9 ARG H H 8.623 0.02 1 91 9 9 ARG HA H 4.131 0.02 1 92 9 9 ARG HB2 H 1.903 0.02 2 93 9 9 ARG HB3 H 1.836 0.02 2 94 9 9 ARG HG2 H 1.702 0.02 2 95 9 9 ARG HG3 H 1.644 0.02 2 96 9 9 ARG HD2 H 3.292 0.02 2 97 9 9 ARG HD3 H 3.203 0.02 2 98 9 9 ARG C C 177.471 0.1 1 99 9 9 ARG CA C 58.345 0.1 1 100 9 9 ARG CB C 30.156 0.1 1 101 9 9 ARG CG C 27.162 0.1 1 102 9 9 ARG CD C 43.309 0.1 1 103 9 9 ARG N N 118.683 0.1 1 104 10 10 THR H H 7.472 0.02 1 105 10 10 THR HA H 4.068 0.02 1 106 10 10 THR HB H 4.370 0.02 1 107 10 10 THR HG2 H 1.261 0.02 1 108 10 10 THR C C 175.478 0.1 1 109 10 10 THR CA C 64.704 0.1 1 110 10 10 THR CB C 68.864 0.1 1 111 10 10 THR CG2 C 22.313 0.1 1 112 10 10 THR N N 115.957 0.1 1 113 11 11 LEU H H 8.002 0.02 1 114 11 11 LEU HA H 4.029 0.02 1 115 11 11 LEU HB2 H 1.796 0.02 2 116 11 11 LEU HB3 H 1.620 0.02 2 117 11 11 LEU HG H 1.697 0.02 1 118 11 11 LEU HD1 H 0.911 0.02 2 119 11 11 LEU HD2 H 0.877 0.02 1 120 11 11 LEU C C 177.995 0.1 1 121 11 11 LEU CA C 57.953 0.1 1 122 11 11 LEU CB C 41.450 0.1 1 123 11 11 LEU CG C 27.162 0.1 1 124 11 11 LEU CD1 C 24.158 0.1 1 125 11 11 LEU CD2 C 24.158 0.1 1 126 11 11 LEU N N 121.584 0.1 1 127 12 12 ARG H H 8.267 0.02 1 128 12 12 ARG HA H 3.879 0.02 1 129 12 12 ARG HB2 H 1.883 0.02 1 130 12 12 ARG HB3 H 1.883 0.02 1 131 12 12 ARG HG2 H 1.630 0.02 2 132 12 12 ARG HG3 H 1.702 0.02 2 133 12 12 ARG HD2 H 3.206 0.02 1 134 12 12 ARG HD3 H 3.206 0.02 1 135 12 12 ARG C C 178.146 0.1 1 136 12 12 ARG CA C 59.802 0.1 1 137 12 12 ARG CB C 29.836 0.1 1 138 12 12 ARG CG C 27.905 0.1 1 139 12 12 ARG CD C 43.310 0.1 1 140 12 12 ARG N N 116.905 0.1 1 141 13 13 ARG H H 7.728 0.02 1 142 13 13 ARG HA H 4.142 0.02 1 143 13 13 ARG HB2 H 1.943 0.02 2 144 13 13 ARG HB3 H 2.000 0.02 2 145 13 13 ARG HG2 H 1.740 0.02 1 146 13 13 ARG HG3 H 1.740 0.02 1 147 13 13 ARG HD2 H 3.294 0.02 2 148 13 13 ARG HD3 H 3.196 0.02 2 149 13 13 ARG C C 178.407 0.1 1 150 13 13 ARG CA C 59.081 0.1 1 151 13 13 ARG CB C 29.787 0.1 1 152 13 13 ARG CG C 27.164 0.1 1 153 13 13 ARG CD C 43.310 0.1 1 154 13 13 ARG N N 118.269 0.1 1 155 14 14 LEU H H 7.909 0.02 1 156 14 14 LEU HA H 4.095 0.02 1 157 14 14 LEU HB2 H 1.597 0.02 2 158 14 14 LEU HB3 H 1.900 0.02 2 159 14 14 LEU HG H 1.580 0.02 1 160 14 14 LEU HD1 H 0.903 0.02 2 161 14 14 LEU HD2 H 0.880 0.02 1 162 14 14 LEU C C 178.439 0.1 1 163 14 14 LEU CA C 57.955 0.1 1 164 14 14 LEU CB C 41.817 0.1 1 165 14 14 LEU CG C 27.162 0.1 1 166 14 14 LEU CD1 C 25.285 0.1 2 167 14 14 LEU CD2 C 24.158 0.1 2 168 14 14 LEU N N 118.789 0.1 1 169 15 15 LEU H H 7.844 0.02 1 170 15 15 LEU HA H 4.095 0.02 1 171 15 15 LEU HB2 H 1.616 0.02 2 172 15 15 LEU HB3 H 1.854 0.02 2 173 15 15 LEU HG H 1.845 0.02 1 174 15 15 LEU HD1 H 0.863 0.02 1 175 15 15 LEU C C 178.513 0.1 1 176 15 15 LEU CA C 57.202 0.1 1 177 15 15 LEU CB C 41.807 0.1 1 178 15 15 LEU CG C 27.143 0.1 1 179 15 15 LEU CD1 C 23.407 0.1 1 180 15 15 LEU N N 116.025 0.1 1 181 16 16 GLN H H 7.969 0.02 1 182 16 16 GLN HA H 4.191 0.02 1 183 16 16 GLN HB2 H 2.202 0.02 1 184 16 16 GLN HB3 H 2.202 0.02 1 185 16 16 GLN HG2 H 2.413 0.02 2 186 16 16 GLN HG3 H 2.506 0.02 2 187 16 16 GLN HE21 H 7.537 0.02 2 188 16 16 GLN HE22 H 6.799 0.02 2 189 16 16 GLN C C 177.859 0.1 1 190 16 16 GLN CA C 57.922 0.1 1 191 16 16 GLN CB C 29.023 0.1 1 192 16 16 GLN CG C 34.286 0.1 1 193 16 16 GLN N N 117.835 0.1 1 194 16 16 GLN NE2 N 111.334 0.1 1 195 17 17 GLU H H 8.171 0.02 1 196 17 17 GLU HA H 4.289 0.02 1 197 17 17 GLU HB2 H 2.130 0.02 1 198 17 17 GLU HB3 H 2.130 0.02 1 199 17 17 GLU HG2 H 2.469 0.02 2 200 17 17 GLU HG3 H 2.418 0.02 2 201 17 17 GLU C C 177.030 0.1 1 202 17 17 GLU CA C 57.579 0.1 1 203 17 17 GLU CB C 29.040 0.1 1 204 17 17 GLU CG C 35.046 0.1 1 205 17 17 GLU N N 118.783 0.1 1 206 18 18 ARG H H 7.806 0.02 1 207 18 18 ARG HA H 4.209 0.02 1 208 18 18 ARG HB2 H 1.986 0.02 2 209 18 18 ARG HB3 H 1.859 0.02 2 210 18 18 ARG HG2 H 1.749 0.02 1 211 18 18 ARG HG3 H 1.749 0.02 1 212 18 18 ARG HD2 H 3.190 0.02 1 213 18 18 ARG HD3 H 3.190 0.02 1 214 18 18 ARG C C 175.946 0.1 1 215 18 18 ARG CA C 57.204 0.1 1 216 18 18 ARG CB C 30.160 0.1 1 217 18 18 ARG CG C 27.165 0.1 1 218 18 18 ARG CD C 43.310 0.1 1 219 18 18 ARG N N 118.789 0.1 1 220 19 19 GLU H H 8.143 0.02 1 221 19 19 GLU HA H 4.222 0.02 1 222 19 19 GLU HB2 H 2.125 0.02 2 223 19 19 GLU HB3 H 2.035 0.02 2 224 19 19 GLU HG2 H 2.327 0.02 1 225 19 19 GLU HG3 H 2.327 0.02 1 226 19 19 GLU C C 176.205 0.1 1 227 19 19 GLU CA C 57.174 0.1 1 228 19 19 GLU CB C 29.053 0.1 1 229 19 19 GLU CG C 35.408 0.1 1 230 19 19 GLU N N 117.857 0.1 1 231 20 20 LEU H H 7.990 0.02 1 232 20 20 LEU HA H 4.319 0.02 1 233 20 20 LEU HB2 H 1.599 0.02 2 234 20 20 LEU HB3 H 1.742 0.02 2 235 20 20 LEU HG H 1.694 0.02 1 236 20 20 LEU HD1 H 0.933 0.02 1 237 20 20 LEU HD2 H 0.881 0.02 1 238 20 20 LEU C C 176.660 0.1 1 239 20 20 LEU CA C 55.709 0.1 1 240 20 20 LEU CB C 42.572 0.1 1 241 20 20 LEU CG C 27.173 0.1 1 242 20 20 LEU CD1 C 25.285 0.1 2 243 20 20 LEU CD2 C 23.407 0.1 2 244 20 20 LEU N N 119.707 0.1 1 245 21 21 VAL H H 7.583 0.02 1 246 21 21 VAL HA H 4.190 0.02 1 247 21 21 VAL HB H 2.123 0.02 1 248 21 21 VAL HG1 H 0.915 0.02 1 249 21 21 VAL C C 175.583 0.1 1 250 21 21 VAL CA C 61.705 0.1 1 251 21 21 VAL CB C 33.168 0.1 1 252 21 21 VAL CG1 C 21.529 0.1 1 253 21 21 VAL N N 115.079 0.1 1 254 22 22 GLU H H 8.238 0.02 1 255 22 22 GLU HA H 4.519 0.02 1 256 22 22 GLU HB2 H 1.947 0.02 2 257 22 22 GLU HB3 H 2.065 0.02 2 258 22 22 GLU HG2 H 2.323 0.02 2 259 22 22 GLU HG3 H 2.362 0.02 2 260 22 22 GLU C C 174.265 0.1 1 261 22 22 GLU CA C 55.326 0.1 1 262 22 22 GLU CB C 29.094 0.1 1 263 22 22 GLU CG C 35.072 0.1 1 264 22 22 GLU N N 123.534 0.1 1 265 23 23 PRO HA H 4.435 0.02 1 266 23 23 PRO HB2 H 1.883 0.02 2 267 23 23 PRO HB3 H 2.292 0.02 2 268 23 23 PRO HG2 H 1.990 0.02 2 269 23 23 PRO HG3 H 2.030 0.02 2 270 23 23 PRO HD2 H 3.651 0.02 2 271 23 23 PRO HD3 H 3.765 0.02 2 272 23 23 PRO C C 176.547 0.1 1 273 23 23 PRO CA C 63.274 0.1 1 274 23 23 PRO CB C 32.042 0.1 1 275 23 23 PRO CG C 27.537 0.1 1 276 23 23 PRO CD C 50.469 0.1 1 277 24 24 LEU H H 8.179 0.02 1 278 24 24 LEU HA H 4.352 0.02 1 279 24 24 LEU HB2 H 1.598 0.02 2 280 24 24 LEU HB3 H 1.690 0.02 2 281 24 24 LEU HG H 1.678 0.02 1 282 24 24 LEU HD1 H 0.916 0.02 1 283 24 24 LEU HD2 H 0.876 0.02 1 284 24 24 LEU C C 177.016 0.1 1 285 24 24 LEU CA C 55.326 0.1 1 286 24 24 LEU CB C 42.566 0.1 1 287 24 24 LEU CG C 27.164 0.1 1 288 24 24 LEU CD1 C 25.285 0.1 1 289 24 24 LEU CD2 C 24.158 0.1 1 290 24 24 LEU N N 120.582 0.1 1 291 25 25 THR H H 7.976 0.02 1 292 25 25 THR HA H 4.570 0.02 1 293 25 25 THR HB H 4.189 0.02 1 294 25 25 THR HG2 H 1.220 0.02 1 295 25 25 THR C C 172.985 0.1 1 296 25 25 THR CA C 59.806 0.1 1 297 25 25 THR CB C 69.608 0.1 1 298 25 25 THR CG2 C 21.537 0.1 1 299 25 25 THR N N 115.155 0.1 1 300 26 26 PRO HA H 4.448 0.02 1 301 26 26 PRO HB2 H 1.958 0.02 2 302 26 26 PRO HB3 H 2.318 0.02 2 303 26 26 PRO HG2 H 1.970 0.02 2 304 26 26 PRO HG3 H 2.055 0.02 2 305 26 26 PRO HD2 H 3.711 0.02 2 306 26 26 PRO HD3 H 3.848 0.02 2 307 26 26 PRO C C 176.979 0.1 1 308 26 26 PRO CA C 63.212 0.1 1 309 26 26 PRO CB C 32.049 0.1 1 310 26 26 PRO CG C 27.538 0.1 1 311 26 26 PRO CD C 51.195 0.1 1 312 27 27 SER H H 8.385 0.02 1 313 27 27 SER HA H 4.421 0.02 1 314 27 27 SER HB2 H 3.874 0.02 2 315 27 27 SER HB3 H 3.911 0.02 2 316 27 27 SER C C 175.179 0.1 1 317 27 27 SER CA C 58.701 0.1 1 318 27 27 SER CB C 63.960 0.1 1 319 27 27 SER N N 115.993 0.1 1 320 28 28 GLY H H 8.359 0.02 1 321 28 28 GLY HA2 H 3.968 0.02 2 322 28 28 GLY HA3 H 3.966 0.02 2 323 28 28 GLY C C 173.754 0.1 1 324 28 28 GLY CA C 45.563 0.1 1 325 28 28 GLY N N 110.530 0.1 1 326 29 29 GLU H H 8.079 0.02 1 327 29 29 GLU HA H 4.335 0.02 1 328 29 29 GLU HB2 H 1.880 0.02 2 329 29 29 GLU HB3 H 2.026 0.02 2 330 29 29 GLU HG2 H 2.240 0.02 1 331 29 29 GLU HG3 H 2.240 0.02 1 332 29 29 GLU C C 175.766 0.1 1 333 29 29 GLU CA C 56.011 0.1 1 334 29 29 GLU CB C 31.293 0.1 1 335 29 29 GLU CG C 35.841 0.1 1 336 29 29 GLU N N 120.652 0.1 1 337 30 30 ALA H H 8.465 0.02 1 338 30 30 ALA HA H 4.618 0.02 1 339 30 30 ALA HB H 1.461 0.02 1 340 30 30 ALA C C 176.317 0.1 1 341 30 30 ALA CA C 50.820 0.1 1 342 30 30 ALA CB C 18.175 0.1 1 343 30 30 ALA N N 126.589 0.1 1 344 31 31 PRO HA H 4.361 0.02 1 345 31 31 PRO HB2 H 1.958 0.02 2 346 31 31 PRO HB3 H 2.284 0.02 2 347 31 31 PRO HG2 H 2.056 0.02 2 348 31 31 PRO HG3 H 2.126 0.02 2 349 31 31 PRO HD2 H 3.796 0.02 2 350 31 31 PRO HD3 H 3.878 0.02 2 351 31 31 PRO C C 177.213 0.1 1 352 31 31 PRO CA C 64.750 0.1 1 353 31 31 PRO CB C 32.033 0.1 1 354 31 31 PRO CG C 27.544 0.1 1 355 31 31 PRO CD C 50.441 0.1 1 356 32 32 ASN H H 8.661 0.02 1 357 32 32 ASN HA H 4.407 0.02 1 358 32 32 ASN HB2 H 2.782 0.02 2 359 32 32 ASN HB3 H 2.827 0.02 2 360 32 32 ASN HD21 H 6.910 0.02 2 361 32 32 ASN HD22 H 7.855 0.02 2 362 32 32 ASN C C 176.100 0.1 1 363 32 32 ASN CA C 55.702 0.1 1 364 32 32 ASN CB C 38.041 0.1 1 365 32 32 ASN N N 115.071 0.1 1 366 32 32 ASN ND2 N 112.334 0.1 1 367 33 33 GLN H H 7.824 0.02 1 368 33 33 GLN HA H 4.090 0.02 1 369 33 33 GLN HB2 H 2.183 0.02 1 370 33 33 GLN HB3 H 2.183 0.02 1 371 33 33 GLN HG2 H 2.433 0.02 1 372 33 33 GLN HG3 H 2.433 0.02 1 373 33 33 GLN HE21 H 7.630 0.02 2 374 33 33 GLN HE22 H 6.867 0.02 2 375 33 33 GLN C C 177.806 0.1 1 376 33 33 GLN CA C 57.970 0.1 1 377 33 33 GLN CB C 28.669 0.1 1 378 33 33 GLN CG C 34.249 0.1 1 379 33 33 GLN N N 119.720 0.1 1 380 33 33 GLN NE2 N 112.266 0.1 1 381 34 34 ALA H H 8.210 0.02 1 382 34 34 ALA HA H 4.132 0.02 1 383 34 34 ALA HB H 1.459 0.02 1 384 34 34 ALA C C 179.365 0.1 1 385 34 34 ALA CA C 54.951 0.1 1 386 34 34 ALA CB C 18.532 0.1 1 387 34 34 ALA N N 123.434 0.1 1 388 35 35 LEU H H 8.108 0.02 1 389 35 35 LEU HA H 4.043 0.02 1 390 35 35 LEU HB2 H 1.708 0.02 1 391 35 35 LEU HB3 H 1.708 0.02 1 392 35 35 LEU HG H 1.701 0.02 1 393 35 35 LEU HD1 H 0.914 0.02 1 394 35 35 LEU C C 178.176 0.1 1 395 35 35 LEU CA C 57.949 0.1 1 396 35 35 LEU CB C 41.808 0.1 1 397 35 35 LEU CG C 27.162 0.1 1 398 35 35 LEU CD1 C 24.534 0.1 1 399 35 35 LEU N N 117.855 0.1 1 400 36 36 LEU H H 7.793 0.02 1 401 36 36 LEU HA H 3.991 0.02 1 402 36 36 LEU HB2 H 1.646 0.02 2 403 36 36 LEU HB3 H 1.792 0.02 2 404 36 36 LEU HG H 1.578 0.02 1 405 36 36 LEU HD1 H 0.933 0.02 1 406 36 36 LEU HD2 H 0.936 0.02 1 407 36 36 LEU C C 178.504 0.1 1 408 36 36 LEU CA C 57.958 0.1 1 409 36 36 LEU CB C 41.437 0.1 1 410 36 36 LEU CG C 27.162 0.1 1 411 36 36 LEU CD1 C 24.534 0.1 1 412 36 36 LEU CD2 C 24.533 0.1 1 413 36 36 LEU N N 117.857 0.1 1 414 37 37 ARG H H 7.805 0.02 1 415 37 37 ARG HA H 3.984 0.02 1 416 37 37 ARG HB2 H 2.011 0.02 2 417 37 37 ARG HB3 H 1.917 0.02 2 418 37 37 ARG HG2 H 1.785 0.02 2 419 37 37 ARG HG3 H 1.692 0.02 2 420 37 37 ARG HD2 H 3.262 0.02 2 421 37 37 ARG HD3 H 3.189 0.02 2 422 37 37 ARG C C 178.494 0.1 1 423 37 37 ARG CA C 59.817 0.1 1 424 37 37 ARG CB C 29.790 0.1 1 425 37 37 ARG CG C 27.167 0.1 1 426 37 37 ARG CD C 43.310 0.1 1 427 37 37 ARG N N 118.789 0.1 1 428 38 38 ILE H H 7.886 0.02 1 429 38 38 ILE HA H 3.825 0.02 1 430 38 38 ILE HB H 2.013 0.02 1 431 38 38 ILE HG12 H 1.750 0.02 2 432 38 38 ILE HG13 H 1.225 0.02 2 433 38 38 ILE HG2 H 0.918 0.02 1 434 38 38 ILE HD1 H 0.864 0.02 1 435 38 38 ILE C C 178.956 0.1 1 436 38 38 ILE CA C 64.339 0.1 1 437 38 38 ILE CB C 38.060 0.1 1 438 38 38 ILE CG1 C 29.040 0.1 1 439 38 38 ILE CG2 C 17.399 0.1 1 440 38 38 ILE CD1 C 13.644 0.1 1 441 38 38 ILE N N 118.789 0.1 1 442 39 39 LEU H H 8.186 0.02 1 443 39 39 LEU HA H 4.087 0.02 1 444 39 39 LEU HB2 H 1.584 0.02 2 445 39 39 LEU HB3 H 1.904 0.02 2 446 39 39 LEU HG H 1.874 0.02 1 447 39 39 LEU HD1 H 0.887 0.02 1 448 39 39 LEU HD2 H 0.885 0.02 1 449 39 39 LEU C C 178.251 0.1 1 450 39 39 LEU CA C 57.950 0.1 1 451 39 39 LEU CB C 41.815 0.1 1 452 39 39 LEU CG C 26.795 0.1 1 453 39 39 LEU CD1 C 25.285 0.1 2 454 39 39 LEU CD2 C 24.158 0.1 2 455 39 39 LEU N N 120.519 0.1 1 456 40 40 LYS H H 8.030 0.02 1 457 40 40 LYS HA H 4.062 0.02 1 458 40 40 LYS HB2 H 1.959 0.02 1 459 40 40 LYS HB3 H 1.959 0.02 1 460 40 40 LYS HG2 H 1.446 0.02 2 461 40 40 LYS HG3 H 1.618 0.02 2 462 40 40 LYS HD2 H 1.616 0.02 2 463 40 40 LYS HD3 H 1.707 0.02 2 464 40 40 LYS HE2 H 2.937 0.02 1 465 40 40 LYS HE3 H 2.937 0.02 1 466 40 40 LYS C C 177.871 0.1 1 467 40 40 LYS CA C 59.070 0.1 1 468 40 40 LYS CB C 32.809 0.1 1 469 40 40 LYS CG C 25.645 0.1 1 470 40 40 LYS CD C 29.410 0.1 1 471 40 40 LYS CE C 41.807 0.1 1 472 40 40 LYS N N 116.938 0.1 1 473 41 41 GLU H H 7.970 0.02 1 474 41 41 GLU HA H 4.330 0.02 1 475 41 41 GLU HB2 H 2.095 0.02 2 476 41 41 GLU HB3 H 2.195 0.02 2 477 41 41 GLU HG2 H 2.386 0.02 2 478 41 41 GLU HG3 H 2.487 0.02 2 479 41 41 GLU C C 177.258 0.1 1 480 41 41 GLU CA C 57.176 0.1 1 481 41 41 GLU CB C 29.794 0.1 1 482 41 41 GLU CG C 35.799 0.1 1 483 41 41 GLU N N 116.004 0.1 1 484 42 42 THR H H 7.709 0.02 1 485 42 42 THR HA H 4.129 0.02 1 486 42 42 THR HB H 4.096 0.02 1 487 42 42 THR HG2 H 1.014 0.02 1 488 42 42 THR C C 174.494 0.1 1 489 42 42 THR CA C 64.321 0.1 1 490 42 42 THR CB C 69.594 0.1 1 491 42 42 THR CG2 C 21.529 0.1 1 492 42 42 THR N N 114.130 0.1 1 493 43 43 GLU H H 8.366 0.02 1 494 43 43 GLU HA H 4.405 0.02 1 495 43 43 GLU HB2 H 2.101 0.02 2 496 43 43 GLU HB3 H 1.983 0.02 2 497 43 43 GLU HG2 H 2.296 0.02 1 498 43 43 GLU C C 176.953 0.1 1 499 43 43 GLU CA C 56.443 0.1 1 500 43 43 GLU CB C 29.415 0.1 1 501 43 43 GLU CG C 35.057 0.1 1 502 43 43 GLU N N 122.516 0.1 1 503 44 44 PHE H H 8.371 0.02 1 504 44 44 PHE HA H 4.305 0.02 1 505 44 44 PHE HB2 H 3.171 0.02 1 506 44 44 PHE HB3 H 3.171 0.02 1 507 44 44 PHE HE1 H 7.267 0.02 1 508 44 44 PHE HE2 H 7.267 0.02 1 509 44 44 PHE C C 176.884 0.1 1 510 44 44 PHE CA C 60.208 0.1 1 511 44 44 PHE CB C 38.803 0.1 1 512 44 44 PHE N N 121.566 0.1 1 513 45 45 LYS H H 8.318 0.02 1 514 45 45 LYS HA H 4.054 0.02 1 515 45 45 LYS HB2 H 1.731 0.02 2 516 45 45 LYS HB3 H 1.897 0.02 2 517 45 45 LYS HG2 H 1.452 0.02 2 518 45 45 LYS HG3 H 1.481 0.02 2 519 45 45 LYS HD2 H 1.721 0.02 1 520 45 45 LYS HD3 H 1.721 0.02 1 521 45 45 LYS HE2 H 2.997 0.02 1 522 45 45 LYS HE3 H 2.997 0.02 1 523 45 45 LYS C C 177.534 0.1 1 524 45 45 LYS CA C 58.707 0.1 1 525 45 45 LYS CB C 32.419 0.1 1 526 45 45 LYS CG C 25.285 0.1 1 527 45 45 LYS CD C 29.040 0.1 1 528 45 45 LYS CE C 41.807 0.1 1 529 45 45 LYS N N 116.925 0.1 1 530 46 46 LYS H H 7.853 0.02 1 531 46 46 LYS HA H 4.172 0.02 1 532 46 46 LYS HB2 H 1.911 0.02 1 533 46 46 LYS HB3 H 1.911 0.02 1 534 46 46 LYS HG2 H 1.445 0.02 2 535 46 46 LYS HG3 H 1.530 0.02 2 536 46 46 LYS HD2 H 1.736 0.02 1 537 46 46 LYS HD3 H 1.736 0.02 1 538 46 46 LYS HE2 H 2.971 0.02 1 539 46 46 LYS HE3 H 2.971 0.02 1 540 46 46 LYS C C 177.368 0.1 1 541 46 46 LYS CA C 57.919 0.1 1 542 46 46 LYS CB C 32.795 0.1 1 543 46 46 LYS CG C 25.657 0.1 1 544 46 46 LYS CD C 29.040 0.1 1 545 46 46 LYS CE C 41.807 0.1 1 546 46 46 LYS N N 117.817 0.1 1 547 47 47 ILE H H 7.675 0.02 1 548 47 47 ILE HA H 3.941 0.02 1 549 47 47 ILE HB H 1.970 0.02 1 550 47 47 ILE HG12 H 1.607 0.02 2 551 47 47 ILE HG13 H 1.236 0.02 2 552 47 47 ILE HG2 H 0.914 0.02 1 553 47 47 ILE HD1 H 0.857 0.02 1 554 47 47 ILE C C 176.386 0.1 1 555 47 47 ILE CA C 62.832 0.1 1 556 47 47 ILE CB C 38.051 0.1 1 557 47 47 ILE CG1 C 28.292 0.1 1 558 47 47 ILE CG2 C 17.774 0.1 1 559 47 47 ILE CD1 C 13.644 0.1 1 560 47 47 ILE N N 117.928 0.1 1 561 48 48 LYS H H 7.996 0.02 1 562 48 48 LYS HA H 4.097 0.02 1 563 48 48 LYS HB2 H 1.833 0.02 2 564 48 48 LYS HB3 H 1.803 0.02 2 565 48 48 LYS HG2 H 1.452 0.02 2 566 48 48 LYS HG3 H 1.375 0.02 2 567 48 48 LYS HD2 H 1.685 0.02 1 568 48 48 LYS HD3 H 1.685 0.02 1 569 48 48 LYS HE2 H 2.941 0.02 1 570 48 48 LYS HE3 H 2.941 0.02 1 571 48 48 LYS C C 177.633 0.1 1 572 48 48 LYS CA C 58.331 0.1 1 573 48 48 LYS CB C 32.425 0.1 1 574 48 48 LYS CG C 25.274 0.1 1 575 48 48 LYS CD C 29.407 0.1 1 576 48 48 LYS CE C 41.807 0.1 1 577 48 48 LYS N N 121.483 0.1 1 578 49 49 VAL H H 7.786 0.02 1 579 49 49 VAL HA H 4.017 0.02 1 580 49 49 VAL HB H 2.205 0.02 1 581 49 49 VAL C C 176.792 0.1 1 582 49 49 VAL CA C 63.963 0.1 1 583 49 49 VAL CB C 32.115 0.1 1 584 49 49 VAL CG1 C 21.154 0.1 1 585 49 49 VAL N N 116.925 0.1 1 586 50 50 LEU H H 7.911 0.02 1 587 50 50 LEU HA H 4.279 0.02 1 588 50 50 LEU HB2 H 1.588 0.02 2 589 50 50 LEU HB3 H 1.822 0.02 2 590 50 50 LEU HG H 1.572 0.02 1 591 50 50 LEU HD1 H 0.941 0.02 1 592 50 50 LEU HD2 H 0.881 0.02 1 593 50 50 LEU C C 177.795 0.1 1 594 50 50 LEU CA C 56.079 0.1 1 595 50 50 LEU CB C 42.180 0.1 1 596 50 50 LEU CG C 27.534 0.1 1 597 50 50 LEU CD1 C 25.285 0.1 2 598 50 50 LEU CD2 C 23.407 0.1 2 599 50 50 LEU N N 120.693 0.1 1 600 51 51 GLY H H 8.234 0.02 1 601 51 51 GLY HA2 H 3.870 0.02 2 602 51 51 GLY HA3 H 4.022 0.02 2 603 51 51 GLY C C 174.201 0.1 1 604 51 51 GLY CA C 45.578 0.1 1 605 51 51 GLY N N 106.159 0.1 1 606 52 52 SER H H 8.061 0.02 1 607 52 52 SER HA H 4.397 0.02 1 608 52 52 SER HB2 H 3.934 0.02 2 609 52 52 SER HB3 H 3.899 0.02 2 610 52 52 SER C C 175.258 0.1 1 611 52 52 SER CA C 59.109 0.1 1 612 52 52 SER CB C 63.967 0.1 1 613 52 52 SER N N 114.998 0.1 1 614 53 53 GLY H H 8.440 0.02 1 615 53 53 GLY HA2 H 3.896 0.02 1 616 53 53 GLY HA3 H 3.896 0.02 1 617 53 53 GLY C C 174.004 0.1 1 618 53 53 GLY CA C 45.559 0.1 1 619 53 53 GLY N N 109.471 0.1 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value 1DHNN 3 ARG H 3 ARG N 0.01 $NMRView ? ? . . 1DHNN 4 HIS H 4 HIS N 1.62 $NMRView ? ? . . 1DHNN 5 ILE H 5 ILE N -2.18 $NMRView ? ? . . 1DHNN 6 VAL H 6 VAL N -2.97 $NMRView ? ? . . 1DHNN 7 ARG H 7 ARG N 0.86 $NMRView ? ? . . 1DHNN 8 LYS H 8 LYS N 14.65 $NMRView ? ? . . 1DHNN 9 ARG H 9 ARG N 12.59 $NMRView ? ? . . 1DHNN 10 THR H 10 THR N -13.2 $NMRView ? ? . . 1DHNN 12 ARG H 12 ARG N 21.13 $NMRView ? ? . . 1DHNN 13 ARG H 13 ARG N -5.15 $NMRView ? ? . . 1DHNN 14 LEU H 14 LEU N 8.79 $NMRView ? ? . . 1DHNN 15 LEU H 15 LEU N 19.54 $NMRView ? ? . . 1DHNN 16 GLN H 16 GLN N 12.75 $NMRView ? ? . . 1DHNN 17 GLU H 17 GLU N -15.12 $NMRView ? ? . . 1DHNN 18 ARG H 18 ARG N 3.34 $NMRView ? ? . . 1DHNN 19 GLU H 19 GLU N -1.37 $NMRView ? ? . . 1DHNN 20 LEU H 20 LEU N -5.2 $NMRView ? ? . . 1DHNN 21 VAL H 21 VAL N 18.22 $NMRView ? ? . . 1DHNN 22 GLU H 22 GLU N 16.48 $NMRView ? ? . . 1DHNN 24 LEU H 24 LEU N 9.36 $NMRView ? ? . . 1DHNN 25 THR H 25 THR N 14.17 $NMRView ? ? . . 1DHNN 27 SER H 27 SER N 8.69 $NMRView ? ? . . 1DHNN 28 GLY H 28 GLY N 13.44 $NMRView ? ? . . 1DHNN 29 GLU H 29 GLU N 13.76 $NMRView ? ? . . 1DHNN 30 ALA H 30 ALA N 16.21 $NMRView ? ? . . 1DHNN 32 ASN H 32 ASN N 6.81 $NMRView ? ? . . 1DHNN 33 GLN H 33 GLN N -10.06 $NMRView ? ? . . 1DHNN 34 ALA H 34 ALA N 23.75 $NMRView ? ? . . 1DHNN 35 LEU H 35 LEU N 15.43 $NMRView ? ? . . 1DHNN 36 LEU H 36 LEU N -7.21 $NMRView ? ? . . 1DHNN 37 ARG H 37 ARG N -0.74 $NMRView ? ? . . 1DHNN 38 ILE H 38 ILE N 22.97 $NMRView ? ? . . 1DHNN 39 LEU H 39 LEU N 5.45 $NMRView ? ? . . 1DHNN 40 LYS H 40 LYS N -17.08 $NMRView ? ? . . 1DHNN 41 GLU H 41 GLU N 16.39 $NMRView ? ? . . 1DHNN 42 THR H 42 THR N 16.72 $NMRView ? ? . . 1DHNN 43 GLU H 43 GLU N -1.34 $NMRView ? ? . . 1DHNN 44 PHE H 44 PHE N -10.89 $NMRView ? ? . . 1DHNN 45 LYS H 45 LYS N -16.7 $NMRView ? ? . . 1DHNN 46 LYS H 46 LYS N -7.37 $NMRView ? ? . . 1DHNN 47 ILE H 47 ILE N -12.1 $NMRView ? ? . . 1DHNN 48 LYS H 48 LYS N -18.13 $NMRView ? ? . . 1DHNN 49 VAL H 49 VAL N -12.63 $NMRView ? ? . . 1DHNN 50 LEU H 50 LEU N -7.7 $NMRView ? ? . . 1DHNN 51 GLY H 51 GLY N -11.25 $NMRView ? ? . . 1DHNN 52 SER H 52 SER N -5.8 $NMRView ? ? . . 1DHNN 53 GLY H 53 GLY N 0.36 $NMRView ? ? . . stop_ _Details . _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_ save_heteronucl_NOE_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'JX EGFR monomer' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type NH _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ARG 0.054467085 0.012931034 4 HIS 0.219545767 0.022711631 5 ILE 0.306917394 0.022162525 6 VAL 0.366990291 0.032038835 7 ARG 0.381761978 0.025502318 8 LYS 0.501762632 0.038777908 9 ARG 0.530685921 0.039711191 10 THR 0.539225422 0.032770606 12 ARG 0.639666919 0.024981075 13 ARG 0.538461538 0.020979021 14 LEU 0.649734647 0.025018954 15 LEU 0.56629393 0.026357827 16 GLN 0.584615385 0.028205128 17 GLU 0.501236603 0.027205276 18 ARG 0.466942149 0.022727273 20 LEU 0.422764228 0.029810298 21 VAL 0.372699387 0.050613497 24 LEU 0.139141743 0.042912874 25 THR 0.171806167 0.072687225 27 SER 0.02609132 0.016557953 28 GLY 0.014596734 0.008164275 29 GLU 0.071345029 0.012865497 30 ALA 0.174271229 0.020912548 32 ASN 0.393528184 0.017223382 33 GLN 0.414469994 0.018508132 35 LEU 0.529066353 0.019377569 36 LEU 0.568847352 0.020560748 37 ARG 0.580191334 0.018570625 38 ILE 0.573103448 0.022758621 39 LEU 0.644251627 0.023861171 40 LYS 0.562170309 0.024868124 41 GLU 0.572443182 0.0234375 42 THR 0.518425461 0.027638191 43 GLU 0.39360873 0.025720966 44 PHE 0.514751553 0.025621118 45 LYS 0.510580205 0.022525597 46 LYS 0.537825059 0.019503546 47 ILE 0.443616493 0.016393443 48 LYS 0.468267581 0.018867925 49 VAL 0.392712551 0.013360324 50 LEU 0.420844848 0.01302803 51 GLY 0.308121297 0.011502266 52 SER 0.238341969 0.007772021 53 GLY 0.118532207 0.008711721 stop_ save_