data_16658 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Heterodimeric association of Transmembrane domains of ErbB1 and ErbB2 receptors Enabling Kinase Activation ; _BMRB_accession_number 16658 _BMRB_flat_file_name bmr16658.str _Entry_type original _Submission_date 2009-12-24 _Accession_date 2009-12-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'solution structure of Heterodimer of transmembrane segments of EGFR and ErbB2 receptors in DHPC/DMPC q=0.25 bicelles' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 MIneev Konstantin S. . 2 Bocharov Eduard V. . 3 Pustovalova Yulia E. . 4 Bocharova Olga V. . 5 Chupin Vladimir V. . 6 Arseniev Alexander S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 511 "13C chemical shifts" 351 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-05-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Spatial structure of the transmembrane domain heterodimer of ErbB1 and ErbB2 receptor tyrosine kinases.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20471394 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mineev Konstantin S. . 2 Bocharov Eduard V. . 3 Pustovalova Yulia E. . 4 Bocharova Olga V. . 5 Chupin Vladimir V. . 6 Arseniev Alexander S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 400 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 231 _Page_last 243 _Year 2010 _Details . loop_ _Keyword bicelles EGFR ErbB2 heterodimer 'receptor tyrosine kinase' 'solution NMR' structure transmembrane stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name B1B2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EGFR TM segment' $ErbB1TM 'ErbB2 TM segment' $ErbB2TM stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function mitogenic 'regulation of proliferation' tumourogenic stop_ _Database_query_date . _Details 'heterodimer of transmembrane segments of receptor kinases EGFR and ErbB2' save_ ######################## # Monomeric polymers # ######################## save_ErbB1TM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ErbB1TM _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Transmembrane segment of receptor tyrosine kinase EGFR' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; EGCPTNGPKIPSIATGMVGA LLLLLVVALGIGLFMRRRHI VRKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 134 GLU 2 135 GLY 3 136 CYS 4 137 PRO 5 138 THR 6 139 ASN 7 140 GLY 8 141 PRO 9 142 LYS 10 143 ILE 11 144 PRO 12 145 SER 13 146 ILE 14 147 ALA 15 148 THR 16 149 GLY 17 150 MET 18 151 VAL 19 152 GLY 20 153 ALA 21 154 LEU 22 155 LEU 23 156 LEU 24 157 LEU 25 158 LEU 26 159 VAL 27 160 VAL 28 161 ALA 29 162 LEU 30 163 GLY 31 164 ILE 32 165 GLY 33 166 LEU 34 167 PHE 35 168 MET 36 169 ARG 37 170 ARG 38 171 ARG 39 172 HIS 40 173 ILE 41 174 VAL 42 175 ARG 43 176 LYS 44 177 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 18804 ErbB1tm 100.00 44 100.00 100.00 1.25e-20 BMRB 25729 EGFR 81.82 54 100.00 100.00 8.60e-04 PDB 2KS1 "Heterodimeric Association Of Transmembrane Domains Of Erbb1 Receptors Enabling Kinase Activation" 100.00 44 100.00 100.00 1.25e-20 PDB 2M0B "Homodimeric Transmembrane Domain Of The Human Receptor Tyrosine Kinase Erbb1 (egfr, Her1) In Micelles" 100.00 44 100.00 100.00 1.25e-20 PDB 2N5S "Spatial Structure Of Egfr Transmembrane And Juxtamembrane Domains In Dpc Micelles" 81.82 54 100.00 100.00 8.60e-04 DBJ BAD92679 "epidermal growth factor receptor isoform a variant [Homo sapiens]" 100.00 1081 100.00 100.00 6.78e-21 DBJ BAF83041 "unnamed protein product [Homo sapiens]" 100.00 1210 100.00 100.00 7.25e-21 DBJ BAH11869 "unnamed protein product [Homo sapiens]" 100.00 1157 100.00 100.00 7.07e-21 DBJ BAI46646 "epidermal growth factor receptor [synthetic construct]" 100.00 1210 100.00 100.00 7.25e-21 EMBL CAA25240 "epidermal growth factor receptor [Homo sapiens]" 100.00 1210 100.00 100.00 7.25e-21 EMBL CAA25282 "unnamed protein product [Homo sapiens]" 100.00 800 100.00 100.00 1.72e-20 GB AAG35789 "p170 epidermal growth factor receptor [Homo sapiens]" 100.00 1210 100.00 100.00 7.25e-21 GB AAG43243 "epidermal growth factor receptor, partial [Homo sapiens]" 100.00 113 100.00 100.00 4.65e-20 GB AAH94761 "EGFR protein [Homo sapiens]" 100.00 1091 100.00 100.00 9.38e-21 GB AAS83109 "epidermal growth factor receptor (erythroblastic leukemia viral (v-erb-b) oncogene homolog, avian) [Homo sapiens]" 100.00 1210 100.00 100.00 7.25e-21 GB AAT52212 "cell growth inhibiting protein 40 [Homo sapiens]" 100.00 1210 100.00 100.00 7.25e-21 PRF 1006266A "epidermal growth factor receptor" 100.00 1210 100.00 100.00 7.25e-21 REF NP_005219 "epidermal growth factor receptor isoform a precursor [Homo sapiens]" 100.00 1210 100.00 100.00 7.25e-21 REF XP_004045514 "PREDICTED: epidermal growth factor receptor [Gorilla gorilla gorilla]" 100.00 1157 97.73 100.00 1.07e-20 REF XP_008967087 "PREDICTED: epidermal growth factor receptor [Pan paniscus]" 100.00 1157 100.00 100.00 7.07e-21 REF XP_519102 "PREDICTED: epidermal growth factor receptor isoform X1 [Pan troglodytes]" 100.00 1210 100.00 100.00 7.25e-21 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 7.25e-21 stop_ save_ save_ErbB2TM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ErbB2TM _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Transmembrane segment of receptor tyrosine kinase ErbB2' stop_ _Details . _Residue_count 44 _Mol_residue_sequence ; GCPAEQRASPLTSIISAVVG ILLVVVLGVVFGILIKRRQQ KIRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 41 GLY 2 42 CYS 3 43 PRO 4 44 ALA 5 45 GLU 6 46 GLN 7 47 ARG 8 48 ALA 9 49 SER 10 50 PRO 11 51 LEU 12 52 THR 13 53 SER 14 54 ILE 15 55 ILE 16 56 SER 17 57 ALA 18 58 VAL 19 59 VAL 20 60 GLY 21 61 ILE 22 62 LEU 23 63 LEU 24 64 VAL 25 65 VAL 26 66 VAL 27 67 LEU 28 68 GLY 29 69 VAL 30 70 VAL 31 71 PHE 32 72 GLY 33 73 ILE 34 74 LEU 35 75 ILE 36 76 LYS 37 77 ARG 38 78 ARG 39 79 GLN 40 80 GLN 41 81 LYS 42 82 ILE 43 83 ARG 44 84 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 15231 ErbB2 100.00 44 100.00 100.00 1.35e-19 PDB 2JWA "Erbb2 Transmembrane Segment Dimer Spatial Structure" 100.00 44 100.00 100.00 1.35e-19 PDB 2KS1 "Heterodimeric Association Of Transmembrane Domains Of Erbb1 Receptors Enabling Kinase Activation" 100.00 44 100.00 100.00 1.35e-19 DBJ BAG58195 "unnamed protein product [Homo sapiens]" 100.00 1240 100.00 100.00 3.69e-19 DBJ BAG62073 "unnamed protein product [Homo sapiens]" 100.00 979 100.00 100.00 4.80e-19 DBJ BAJ17684 "v-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog [synthetic construct]" 100.00 1352 100.00 100.00 5.43e-19 EMBL CAA27060 "unnamed protein product [Homo sapiens]" 100.00 1255 100.00 100.00 4.38e-19 GB AAA75493 "HER2 receptor [Homo sapiens]" 100.00 1255 97.73 100.00 7.09e-19 GB AAI56756 "V-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog (avian) [synthetic const" 100.00 1255 100.00 100.00 4.38e-19 GB AAI67147 "V-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog (avian) [Homo sapiens]" 100.00 1255 100.00 100.00 4.38e-19 GB AAO18082 "v-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog (avian) [Homo sapiens]" 100.00 1255 100.00 100.00 4.38e-19 GB AAX40997 "v-erb-b2 erythroblastic leukemia viral oncogene-like 2 [synthetic construct]" 100.00 1256 100.00 100.00 4.47e-19 PRF 1202345A "gene c-erbB2" 100.00 1255 100.00 100.00 4.38e-19 REF NP_001005862 "receptor tyrosine-protein kinase erbB-2 isoform b [Homo sapiens]" 100.00 1225 100.00 100.00 4.16e-19 REF NP_001276865 "receptor tyrosine-protein kinase erbB-2 isoform c [Homo sapiens]" 100.00 1240 100.00 100.00 3.69e-19 REF NP_001276866 "receptor tyrosine-protein kinase erbB-2 isoform d precursor [Homo sapiens]" 100.00 1055 100.00 100.00 5.44e-19 REF NP_004439 "receptor tyrosine-protein kinase erbB-2 isoform a precursor [Homo sapiens]" 100.00 1255 100.00 100.00 4.38e-19 REF XP_001090319 "PREDICTED: receptor tyrosine-protein kinase erbB-2 isoform 1 [Macaca mulatta]" 100.00 1225 100.00 100.00 4.46e-19 SP P04626 "RecName: Full=Receptor tyrosine-protein kinase erbB-2; AltName: Full=Metastatic lymph node gene 19 protein; Short=MLN 19; AltNa" 100.00 1255 100.00 100.00 4.38e-19 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ErbB1TM Human 9606 Eukaryota Metazoa Homo sapiens $ErbB2TM 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 $ErbB1TM 'recombinant technology' . Escherichia coli . n/a $ErbB2TM 'recombinant technology' . Escherichia coli . n/a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type bicelle _Details 'N15 labeled protein in bicelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ErbB1TM 1 mM '[U-100% 15N]' $ErbB2TM 1 mM '[U-100% 15N]' DMPC 12 mM 'natural abundance' DHPC 48 mM 'natural abundance' EDTA 3 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type bicelle _Details 'mixture of labeled ErbB1 and unlabeled ErbB2 protein in bicelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ErbB1TM 1 mM '[U-100% 13C; U-100% 15N]' $ErbB2TM 1 mM 'natural abundance' DMPC 12 mM [U-2H] DHPC 48 mM [U-2H] EDTA 3 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type bicelle _Details 'mixture of labeled ErbB2 and unlabeled ErbB1 protein in bicelles in water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ErbB1TM 1 mM 'natural abundance' $ErbB2TM 1 mM '[U-100% 13C; U-100% 15N]' DMPC 12 mM [U-2H] DHPC 48 mM [U-2H] EDTA 3 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type bicelle _Details 'mixture of labeled ErbB1 and unlabeled ErbB2 protein in bicelles in water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ErbB1TM 1 mM '[U-100% 13C; U-100% 15N]' $ErbB2TM 1 mM 'natural abundance' DMPC 12 mM [U-2H] DHPC 48 mM [U-2H] EDTA 3 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_4 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3d-13Cfilt_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3d-13Cfilt NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 4.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ErbB2 TM segment' _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 41 1 GLY HA2 H 3.944 0.01 2 2 41 1 GLY HA3 H 3.944 0.01 2 3 41 1 GLY CA C 41.195 0.2 1 4 42 2 CYS HA H 4.951 0.01 1 5 42 2 CYS HB2 H 3.171 0.01 2 6 42 2 CYS HB3 H 3.171 0.01 2 7 42 2 CYS CA C 55.132 0.2 1 8 42 2 CYS CB C 27.098 0.2 1 9 43 3 PRO HA H 4.549 0.01 1 10 43 3 PRO HB2 H 2.434 0.01 2 11 43 3 PRO HB3 H 2.058 0.01 2 12 43 3 PRO HD3 H 3.977 0.01 2 13 43 3 PRO HG2 H 2.135 0.01 2 14 43 3 PRO HG3 H 2.135 0.01 2 15 43 3 PRO CA C 62.288 0.2 1 16 43 3 PRO CB C 29.880 0.2 1 17 43 3 PRO CD C 49.012 0.2 1 18 43 3 PRO CG C 25.295 0.2 1 19 44 4 ALA H H 8.415 0.01 1 20 44 4 ALA HA H 4.385 0.01 1 21 44 4 ALA HB H 1.495 0.01 1 22 44 4 ALA CA C 50.856 0.2 1 23 44 4 ALA CB C 16.991 0.2 1 24 44 4 ALA N N 123.736 0.1 1 25 45 5 GLU H H 8.375 0.01 1 26 45 5 GLU HA H 4.359 0.01 1 27 45 5 GLU HB2 H 2.150 0.01 2 28 45 5 GLU HB3 H 2.062 0.01 2 29 45 5 GLU HG2 H 2.380 0.01 2 30 45 5 GLU HG3 H 2.380 0.01 2 31 45 5 GLU CA C 54.562 0.2 1 32 45 5 GLU CB C 27.229 0.2 1 33 45 5 GLU CG C 31.812 0.2 1 34 45 5 GLU N N 119.544 0.1 1 35 46 6 GLN H H 8.423 0.01 1 36 46 6 GLN HA H 4.472 0.01 1 37 46 6 GLN HB2 H 2.464 0.01 2 38 46 6 GLN HB3 H 2.464 0.01 2 39 46 6 GLN HG2 H 2.214 0.01 2 40 46 6 GLN HG3 H 2.074 0.01 2 41 46 6 GLN CA C 53.791 0.2 1 42 46 6 GLN CB C 31.681 0.2 1 43 46 6 GLN CG C 27.255 0.2 1 44 46 6 GLN N N 121.596 0.1 1 45 47 7 ARG H H 8.368 0.01 1 46 47 7 ARG HA H 4.457 0.01 1 47 47 7 ARG HB2 H 1.875 0.01 2 48 47 7 ARG HB3 H 1.875 0.01 2 49 47 7 ARG HD2 H 3.284 0.01 2 50 47 7 ARG HD3 H 3.284 0.01 2 51 47 7 ARG HG2 H 1.773 0.01 2 52 47 7 ARG HG3 H 1.773 0.01 2 53 47 7 ARG CA C 53.827 0.2 1 54 47 7 ARG CB C 28.867 0.2 1 55 47 7 ARG CD C 41.433 0.2 1 56 47 7 ARG CG C 24.817 0.2 1 57 47 7 ARG N N 122.269 0.1 1 58 48 8 ALA H H 8.393 0.01 1 59 48 8 ALA HA H 4.494 0.01 1 60 48 8 ALA HB H 1.481 0.01 1 61 48 8 ALA CA C 49.903 0.2 1 62 48 8 ALA CB C 17.324 0.2 1 63 48 8 ALA N N 124.844 0.1 1 64 49 9 SER H H 8.622 0.01 1 65 49 9 SER HA H 4.933 0.01 1 66 49 9 SER HB2 H 4.054 0.01 1 67 49 9 SER HB3 H 4.207 0.01 1 68 49 9 SER CA C 54.025 0.2 1 69 49 9 SER CB C 61.504 0.2 1 70 49 9 SER N N 116.582 0.1 1 71 50 10 PRO HA H 4.599 0.01 1 72 50 10 PRO HB2 H 2.480 0.01 2 73 50 10 PRO HB3 H 2.068 0.01 2 74 50 10 PRO HD2 H 4.034 0.01 2 75 50 10 PRO HG2 H 2.204 0.01 2 76 50 10 PRO HG3 H 2.204 0.01 2 77 50 10 PRO CA C 62.538 0.2 1 78 50 10 PRO CB C 29.893 0.2 1 79 50 10 PRO CD C 48.743 0.2 1 80 50 10 PRO CG C 25.332 0.2 1 81 51 11 LEU H H 8.345 0.01 1 82 51 11 LEU HA H 4.230 0.01 1 83 51 11 LEU HB2 H 1.825 0.01 2 84 51 11 LEU HB3 H 1.786 0.01 2 85 51 11 LEU HD1 H 1.012 0.01 2 86 51 11 LEU HG H 1.784 0.01 1 87 51 11 LEU CA C 55.574 0.2 1 88 51 11 LEU CB C 39.680 0.2 1 89 51 11 LEU CD1 C 22.438 0.2 1 90 51 11 LEU CG C 25.265 0.2 1 91 51 11 LEU N N 117.834 0.1 1 92 52 12 THR H H 7.982 0.01 1 93 52 12 THR HA H 3.963 0.01 1 94 52 12 THR HB H 4.392 0.01 1 95 52 12 THR HG2 H 1.369 0.01 1 96 52 12 THR CA C 64.062 0.2 1 97 52 12 THR CB C 66.030 0.2 1 98 52 12 THR CG2 C 20.283 0.2 1 99 52 12 THR N N 113.331 0.1 1 100 53 13 SER H H 8.199 0.01 1 101 53 13 SER HA H 4.407 0.01 1 102 53 13 SER HB2 H 4.120 0.01 2 103 53 13 SER HB3 H 4.001 0.01 2 104 53 13 SER CA C 59.932 0.2 1 105 53 13 SER CB C 60.511 0.2 1 106 53 13 SER N N 118.750 0.1 1 107 54 14 ILE H H 8.054 0.01 1 108 54 14 ILE HA H 3.899 0.01 1 109 54 14 ILE HB H 2.097 0.01 1 110 54 14 ILE HD1 H 0.955 0.01 1 111 54 14 ILE HG12 H 1.855 0.01 2 112 54 14 ILE HG13 H 1.212 0.01 2 113 54 14 ILE HG2 H 0.986 0.01 1 114 54 14 ILE CA C 62.543 0.2 1 115 54 14 ILE CB C 35.909 0.2 1 116 54 14 ILE CD1 C 11.264 0.2 1 117 54 14 ILE CG1 C 26.955 0.2 1 118 54 14 ILE CG2 C 15.337 0.2 1 119 54 14 ILE N N 121.177 0.1 1 120 55 15 ILE H H 8.428 0.01 1 121 55 15 ILE HA H 3.705 0.01 1 122 55 15 ILE HB H 2.106 0.01 1 123 55 15 ILE HD1 H 0.924 0.01 1 124 55 15 ILE HG12 H 1.258 0.01 1 125 55 15 ILE HG13 H 1.863 0.01 1 126 55 15 ILE HG2 H 0.994 0.01 1 127 55 15 ILE CA C 63.070 0.2 1 128 55 15 ILE CB C 35.065 0.2 1 129 55 15 ILE CD1 C 10.564 0.2 1 130 55 15 ILE CG1 C 27.145 0.2 1 131 55 15 ILE CG2 C 15.390 0.2 1 132 55 15 ILE N N 118.882 0.1 1 133 56 16 SER H H 8.280 0.01 1 134 56 16 SER HA H 4.129 0.01 1 135 56 16 SER HB2 H 3.892 0.01 2 136 56 16 SER HB3 H 3.892 0.01 2 137 56 16 SER CA C 60.791 0.2 1 138 56 16 SER CB C 60.677 0.2 1 139 56 16 SER N N 114.850 0.1 1 140 57 17 ALA H H 7.920 0.01 1 141 57 17 ALA HA H 4.158 0.01 1 142 57 17 ALA HB H 1.598 0.01 1 143 57 17 ALA CA C 53.157 0.2 1 144 57 17 ALA CB C 16.154 0.2 1 145 57 17 ALA N N 122.502 0.1 1 146 58 18 VAL H H 8.315 0.01 1 147 58 18 VAL HA H 3.609 0.01 1 148 58 18 VAL HB H 2.365 0.01 1 149 58 18 VAL HG1 H 0.984 0.01 1 150 58 18 VAL HG2 H 1.160 0.01 1 151 58 18 VAL CA C 65.164 0.2 1 152 58 18 VAL CB C 29.190 0.2 1 153 58 18 VAL CG1 C 19.235 0.2 1 154 58 18 VAL CG2 C 21.144 0.2 1 155 58 18 VAL N N 116.511 0.1 1 156 59 19 VAL H H 8.595 0.01 1 157 59 19 VAL HA H 3.582 0.01 1 158 59 19 VAL HB H 2.300 0.01 1 159 59 19 VAL HG1 H 0.999 0.01 1 160 59 19 VAL HG2 H 1.142 0.01 1 161 59 19 VAL CA C 65.381 0.2 1 162 59 19 VAL CB C 28.953 0.2 1 163 59 19 VAL CG1 C 19.473 0.2 1 164 59 19 VAL CG2 C 21.272 0.2 1 165 59 19 VAL N N 118.279 0.1 1 166 60 20 GLY H H 8.534 0.01 1 167 60 20 GLY HA2 H 3.735 0.01 2 168 60 20 GLY HA3 H 3.735 0.01 2 169 60 20 GLY CA C 45.716 0.2 1 170 60 20 GLY N N 106.229 0.1 1 171 61 21 ILE H H 8.443 0.01 1 172 61 21 ILE HA H 3.723 0.01 1 173 61 21 ILE HB H 2.091 0.01 1 174 61 21 ILE HD1 H 0.888 0.01 1 175 61 21 ILE HG12 H 1.990 0.01 2 176 61 21 ILE HG13 H 1.116 0.01 2 177 61 21 ILE HG2 H 0.938 0.01 1 178 61 21 ILE CA C 63.173 0.2 1 179 61 21 ILE CB C 35.541 0.2 1 180 61 21 ILE CD1 C 11.072 0.2 1 181 61 21 ILE CG1 C 27.418 0.2 1 182 61 21 ILE CG2 C 15.269 0.2 1 183 61 21 ILE N N 119.941 0.1 1 184 62 22 LEU H H 8.373 0.01 1 185 62 22 LEU HA H 4.015 0.01 1 186 62 22 LEU HB2 H 2.013 0.01 1 187 62 22 LEU HB3 H 1.631 0.01 1 188 62 22 LEU HD1 H 0.887 0.01 2 189 62 22 LEU HD2 H 0.906 0.01 2 190 62 22 LEU HG H 1.921 0.01 1 191 62 22 LEU CA C 56.250 0.2 1 192 62 22 LEU CB C 39.420 0.2 1 193 62 22 LEU CD1 C 21.316 0.2 1 194 62 22 LEU CD2 C 23.141 0.2 1 195 62 22 LEU CG C 24.712 0.2 1 196 62 22 LEU N N 118.838 0.1 1 197 63 23 LEU H H 8.578 0.01 1 198 63 23 LEU HA H 4.030 0.01 1 199 63 23 LEU HB2 H 2.025 0.01 1 200 63 23 LEU HB3 H 1.694 0.01 1 201 63 23 LEU HD1 H 0.898 0.01 1 202 63 23 LEU HD2 H 0.925 0.01 1 203 63 23 LEU HG H 1.942 0.01 1 204 63 23 LEU CA C 56.330 0.2 1 205 63 23 LEU CB C 39.625 0.2 1 206 63 23 LEU CD1 C 21.671 0.2 1 207 63 23 LEU CD2 C 22.888 0.2 1 208 63 23 LEU CG C 24.890 0.2 1 209 63 23 LEU N N 117.762 0.1 1 210 64 24 VAL H H 8.023 0.01 1 211 64 24 VAL HA H 3.635 0.01 1 212 64 24 VAL HB H 2.403 0.01 1 213 64 24 VAL HG1 H 0.985 0.01 1 214 64 24 VAL HG2 H 1.153 0.01 1 215 64 24 VAL CA C 65.267 0.2 1 216 64 24 VAL CB C 28.970 0.2 1 217 64 24 VAL CG1 C 19.461 0.2 1 218 64 24 VAL CG2 C 21.119 0.2 1 219 64 24 VAL N N 117.849 0.1 1 220 65 25 VAL H H 8.306 0.01 1 221 65 25 VAL HA H 3.659 0.01 1 222 65 25 VAL HB H 2.424 0.01 1 223 65 25 VAL HG1 H 0.962 0.01 1 224 65 25 VAL HG2 H 1.112 0.01 1 225 65 25 VAL CA C 65.049 0.2 1 226 65 25 VAL CB C 29.020 0.2 1 227 65 25 VAL CG1 C 19.389 0.2 1 228 65 25 VAL CG2 C 21.139 0.2 1 229 65 25 VAL N N 118.689 0.1 1 230 66 26 VAL H H 8.581 0.01 1 231 66 26 VAL HA H 3.574 0.01 1 232 66 26 VAL HB H 2.311 0.01 1 233 66 26 VAL HG1 H 0.953 0.01 1 234 66 26 VAL HG2 H 1.142 0.01 1 235 66 26 VAL CA C 65.486 0.2 1 236 66 26 VAL CB C 29.105 0.2 1 237 66 26 VAL CG1 C 19.338 0.2 1 238 66 26 VAL CG2 C 21.106 0.2 1 239 66 26 VAL N N 117.889 0.1 1 240 67 27 LEU H H 8.564 0.01 1 241 67 27 LEU HA H 4.045 0.01 1 242 67 27 LEU HB2 H 2.036 0.01 1 243 67 27 LEU HB3 H 1.490 0.01 1 244 67 27 LEU HD1 H 0.885 0.01 2 245 67 27 LEU HD2 H 0.904 0.01 2 246 67 27 LEU HG H 1.937 0.01 1 247 67 27 LEU CA C 56.086 0.2 1 248 67 27 LEU CB C 39.231 0.2 1 249 67 27 LEU CD1 C 21.088 0.2 1 250 67 27 LEU CD2 C 23.059 0.2 1 251 67 27 LEU CG C 24.770 0.2 1 252 67 27 LEU N N 118.099 0.1 1 253 68 28 GLY H H 8.769 0.01 1 254 68 28 GLY HA2 H 3.848 0.01 1 255 68 28 GLY HA3 H 3.734 0.01 1 256 68 28 GLY CA C 45.501 0.2 1 257 68 28 GLY N N 106.679 0.1 1 258 69 29 VAL H H 8.487 0.01 1 259 69 29 VAL HA H 3.793 0.01 1 260 69 29 VAL HB H 2.440 0.01 1 261 69 29 VAL HG1 H 1.017 0.01 1 262 69 29 VAL HG2 H 1.171 0.01 1 263 69 29 VAL CA C 64.739 0.2 1 264 69 29 VAL CB C 29.268 0.2 1 265 69 29 VAL CG1 C 19.438 0.2 1 266 69 29 VAL CG2 C 21.171 0.2 1 267 69 29 VAL N N 121.063 0.1 1 268 70 30 VAL H H 8.479 0.01 1 269 70 30 VAL HA H 3.603 0.01 1 270 70 30 VAL HB H 2.311 0.01 1 271 70 30 VAL HG1 H 0.896 0.01 1 272 70 30 VAL HG2 H 1.127 0.01 1 273 70 30 VAL CA C 65.277 0.2 1 274 70 30 VAL CB C 29.088 0.2 1 275 70 30 VAL CG1 C 19.139 0.2 1 276 70 30 VAL CG2 C 21.136 0.2 1 277 70 30 VAL N N 118.615 0.1 1 278 71 31 PHE H H 8.945 0.01 1 279 71 31 PHE HA H 4.370 0.01 1 280 71 31 PHE HB2 H 3.340 0.01 1 281 71 31 PHE HB3 H 3.219 0.01 1 282 71 31 PHE HD1 H 7.310 0.01 1 283 71 31 PHE HD2 H 7.310 0.01 1 284 71 31 PHE HE1 H 7.193 0.01 1 285 71 31 PHE HE2 H 7.193 0.01 1 286 71 31 PHE HZ H 7.133 0.01 1 287 71 31 PHE CA C 59.067 0.2 1 288 71 31 PHE CB C 36.401 0.2 1 289 71 31 PHE CZ C 128.700 0.2 1 290 71 31 PHE N N 117.534 0.1 1 291 72 32 GLY H H 8.673 0.01 1 292 72 32 GLY HA2 H 3.842 0.01 2 293 72 32 GLY HA3 H 3.842 0.01 2 294 72 32 GLY CA C 45.538 0.2 1 295 72 32 GLY N N 106.248 0.1 1 296 73 33 ILE H H 8.368 0.01 1 297 73 33 ILE HA H 3.855 0.01 1 298 73 33 ILE HB H 2.180 0.01 1 299 73 33 ILE HD1 H 0.934 0.01 1 300 73 33 ILE HG12 H 1.206 0.01 2 301 73 33 ILE HG13 H 2.035 0.01 2 302 73 33 ILE HG2 H 1.002 0.01 1 303 73 33 ILE CA C 62.967 0.2 1 304 73 33 ILE CB C 35.897 0.2 1 305 73 33 ILE CD1 C 11.754 0.2 1 306 73 33 ILE CG1 C 26.962 0.2 1 307 73 33 ILE CG2 C 15.249 0.2 1 308 73 33 ILE N N 121.033 0.1 1 309 74 34 LEU H H 8.265 0.01 1 310 74 34 LEU HA H 4.096 0.01 1 311 74 34 LEU HB2 H 2.040 0.01 1 312 74 34 LEU HB3 H 1.657 0.01 1 313 74 34 LEU HD1 H 0.963 0.01 2 314 74 34 LEU HG H 2.018 0.01 1 315 74 34 LEU CA C 56.125 0.2 1 316 74 34 LEU CB C 39.562 0.2 1 317 74 34 LEU CD1 C 21.012 0.2 1 318 74 34 LEU CG C 24.574 0.2 1 319 74 34 LEU N N 119.400 0.1 1 320 75 35 ILE H H 8.502 0.01 1 321 75 35 ILE HA H 3.843 0.01 1 322 75 35 ILE HB H 2.051 0.01 1 323 75 35 ILE HD1 H 0.845 0.01 1 324 75 35 ILE HG12 H 1.696 0.01 2 325 75 35 ILE HG13 H 1.225 0.01 2 326 75 35 ILE HG2 H 0.988 0.01 1 327 75 35 ILE CA C 62.222 0.2 1 328 75 35 ILE CB C 35.566 0.2 1 329 75 35 ILE CD1 C 10.991 0.2 1 330 75 35 ILE CG1 C 26.843 0.2 1 331 75 35 ILE CG2 C 15.415 0.2 1 332 75 35 ILE N N 118.264 0.1 1 333 76 36 LYS H H 8.000 0.01 1 334 76 36 LYS HA H 4.242 0.01 1 335 76 36 LYS HB2 H 2.072 0.01 2 336 76 36 LYS HB3 H 2.072 0.01 2 337 76 36 LYS HD2 H 1.780 0.01 2 338 76 36 LYS HD3 H 1.780 0.01 2 339 76 36 LYS HE2 H 3.062 0.01 2 340 76 36 LYS HE3 H 3.062 0.01 2 341 76 36 LYS HG2 H 1.646 0.01 2 342 76 36 LYS HG3 H 1.646 0.01 2 343 76 36 LYS CA C 56.444 0.2 1 344 76 36 LYS CB C 29.867 0.2 1 345 76 36 LYS CD C 26.944 0.2 1 346 76 36 LYS CE C 40.028 0.2 1 347 76 36 LYS CG C 22.730 0.2 1 348 76 36 LYS N N 120.638 0.1 1 349 77 37 ARG H H 8.280 0.01 1 350 77 37 ARG HA H 4.270 0.01 1 351 77 37 ARG HB2 H 2.084 0.01 2 352 77 37 ARG HB3 H 2.084 0.01 2 353 77 37 ARG HD2 H 3.278 0.01 2 354 77 37 ARG HD3 H 3.278 0.01 2 355 77 37 ARG HG2 H 1.843 0.01 2 356 77 37 ARG HG3 H 1.843 0.01 2 357 77 37 ARG CA C 55.910 0.2 1 358 77 37 ARG CB C 28.030 0.2 1 359 77 37 ARG CD C 41.464 0.2 1 360 77 37 ARG CG C 25.121 0.2 1 361 77 37 ARG N N 118.088 0.1 1 362 78 38 ARG H H 7.923 0.01 1 363 78 38 ARG HA H 4.319 0.01 1 364 78 38 ARG HB2 H 2.120 0.01 2 365 78 38 ARG HB3 H 2.037 0.01 2 366 78 38 ARG HD2 H 3.274 0.01 2 367 78 38 ARG HD3 H 3.274 0.01 2 368 78 38 ARG HG2 H 1.810 0.01 2 369 78 38 ARG HG3 H 1.810 0.01 2 370 78 38 ARG CA C 55.374 0.2 1 371 78 38 ARG CB C 28.049 0.2 1 372 78 38 ARG CD C 41.495 0.2 1 373 78 38 ARG CG C 25.185 0.2 1 374 78 38 ARG N N 119.169 0.1 1 375 79 39 GLN H H 8.104 0.01 1 376 79 39 GLN HA H 4.352 0.01 1 377 79 39 GLN HB2 H 2.597 0.01 2 378 79 39 GLN HB3 H 2.511 0.01 2 379 79 39 GLN HG2 H 2.233 0.01 2 380 79 39 GLN HG3 H 2.233 0.01 2 381 79 39 GLN CA C 54.802 0.2 1 382 79 39 GLN CB C 31.913 0.2 1 383 79 39 GLN CG C 27.139 0.2 1 384 79 39 GLN N N 118.761 0.1 1 385 80 40 GLN H H 8.097 0.01 1 386 80 40 GLN HA H 4.355 0.01 1 387 80 40 GLN HB2 H 2.566 0.01 2 388 80 40 GLN HB3 H 2.566 0.01 2 389 80 40 GLN HG2 H 2.218 0.01 2 390 80 40 GLN HG3 H 2.218 0.01 2 391 80 40 GLN CA C 54.513 0.2 1 392 80 40 GLN CB C 31.861 0.2 1 393 80 40 GLN CG C 27.152 0.2 1 394 80 40 GLN N N 119.654 0.1 1 395 81 41 LYS H H 8.174 0.01 1 396 81 41 LYS HA H 4.415 0.01 1 397 81 41 LYS HB2 H 1.940 0.01 2 398 81 41 LYS HB3 H 1.871 0.01 2 399 81 41 LYS HD2 H 1.736 0.01 2 400 81 41 LYS HD3 H 1.736 0.01 2 401 81 41 LYS HE2 H 3.079 0.01 2 402 81 41 LYS HE3 H 3.079 0.01 2 403 81 41 LYS HG2 H 1.531 0.01 2 404 81 41 LYS HG3 H 1.531 0.01 2 405 81 41 LYS CA C 54.413 0.2 1 406 81 41 LYS CB C 30.806 0.2 1 407 81 41 LYS CD C 26.783 0.2 1 408 81 41 LYS CE C 40.168 0.2 1 409 81 41 LYS CG C 22.529 0.2 1 410 81 41 LYS N N 121.466 0.1 1 411 82 42 ILE H H 8.071 0.01 1 412 82 42 ILE HA H 4.253 0.01 1 413 82 42 ILE HB H 1.976 0.01 1 414 82 42 ILE HD1 H 0.960 0.01 1 415 82 42 ILE HG12 H 1.587 0.01 2 416 82 42 ILE HG13 H 1.307 0.01 2 417 82 42 ILE HG2 H 1.000 0.01 1 418 82 42 ILE CA C 59.063 0.2 1 419 82 42 ILE CB C 36.526 0.2 1 420 82 42 ILE CD1 C 10.784 0.2 1 421 82 42 ILE CG1 C 25.194 0.2 1 422 82 42 ILE CG2 C 15.331 0.2 1 423 82 42 ILE N N 121.287 0.1 1 424 83 43 ARG H H 8.320 0.01 1 425 83 43 ARG HA H 4.505 0.01 1 426 83 43 ARG HB2 H 1.964 0.01 2 427 83 43 ARG HB3 H 1.867 0.01 2 428 83 43 ARG HD2 H 3.284 0.01 2 429 83 43 ARG HD3 H 3.284 0.01 2 430 83 43 ARG HG2 H 1.710 0.01 2 431 83 43 ARG HG3 H 1.710 0.01 2 432 83 43 ARG CA C 54.101 0.2 1 433 83 43 ARG CB C 28.796 0.2 1 434 83 43 ARG CD C 41.264 0.2 1 435 83 43 ARG CG C 24.958 0.2 1 436 83 43 ARG N N 125.623 0.1 1 437 84 44 LYS H H 7.998 0.01 1 438 84 44 LYS HA H 4.225 0.01 1 439 84 44 LYS HB2 H 1.884 0.01 2 440 84 44 LYS HB3 H 1.774 0.01 2 441 84 44 LYS HD2 H 1.734 0.01 2 442 84 44 LYS HD3 H 1.734 0.01 2 443 84 44 LYS HE2 H 3.053 0.01 2 444 84 44 LYS HE3 H 3.053 0.01 2 445 84 44 LYS HG2 H 1.469 0.01 2 446 84 44 LYS HG3 H 1.469 0.01 2 447 84 44 LYS CA C 55.797 0.2 1 448 84 44 LYS CB C 31.611 0.2 1 449 84 44 LYS CD C 26.904 0.2 1 450 84 44 LYS CE C 40.184 0.2 1 451 84 44 LYS CG C 22.529 0.2 1 452 84 44 LYS N N 128.502 0.1 1 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'EGFR TM segment' _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 1 134 1 GLU HA H 4.177 0.01 1 2 134 1 GLU HB2 H 2.223 0.01 2 3 134 1 GLU HB3 H 2.251 0.01 2 4 134 1 GLU HG2 H 2.498 0.01 2 5 134 1 GLU HG3 H 2.498 0.01 2 6 134 1 GLU C C 170.233 0.2 1 7 134 1 GLU CA C 52.996 0.2 1 8 134 1 GLU CB C 27.488 0.2 1 9 134 1 GLU CG C 32.634 0.2 1 10 135 2 GLY H H 8.778 0.01 1 11 135 2 GLY HA2 H 4.134 0.01 2 12 135 2 GLY HA3 H 4.134 0.01 2 13 135 2 GLY C C 170.548 0.2 1 14 135 2 GLY CA C 42.405 0.2 1 15 135 2 GLY N N 110.907 0.1 1 16 136 3 CYS H H 8.568 0.01 1 17 136 3 CYS HA H 5.145 0.01 1 18 136 3 CYS HB2 H 3.333 0.01 2 19 136 3 CYS HB3 H 2.995 0.01 2 20 136 3 CYS CA C 50.621 0.2 1 21 136 3 CYS CB C 37.967 0.2 1 22 136 3 CYS N N 119.833 0.1 1 23 137 4 PRO HA H 4.606 0.01 1 24 137 4 PRO HB2 H 2.402 0.01 2 25 137 4 PRO HB3 H 2.067 0.01 2 26 137 4 PRO HD2 H 3.936 0.01 2 27 137 4 PRO HD3 H 3.824 0.01 2 28 137 4 PRO HG2 H 2.152 0.01 2 29 137 4 PRO C C 174.178 0.2 1 30 137 4 PRO CA C 60.788 0.2 1 31 137 4 PRO CB C 29.547 0.2 1 32 137 4 PRO CD C 48.118 0.2 1 33 137 4 PRO CG C 24.777 0.2 1 34 138 5 THR H H 8.234 0.01 1 35 138 5 THR HA H 4.409 0.01 1 36 138 5 THR HB H 4.315 0.01 1 37 138 5 THR HG2 H 1.306 0.01 1 38 138 5 THR C C 171.395 0.2 1 39 138 5 THR CA C 59.283 0.2 1 40 138 5 THR CB C 66.962 0.2 1 41 138 5 THR CG2 C 19.009 0.2 1 42 138 5 THR N N 113.796 0.1 1 43 139 6 ASN H H 8.402 0.01 1 44 139 6 ASN HA H 4.885 0.01 1 45 139 6 ASN HB2 H 2.862 0.01 2 46 139 6 ASN HB3 H 2.946 0.01 2 47 139 6 ASN C C 172.121 0.2 1 48 139 6 ASN CA C 50.336 0.2 1 49 139 6 ASN CB C 36.645 0.2 1 50 139 6 ASN N N 120.736 0.1 1 51 140 7 GLY H H 8.192 0.01 1 52 140 7 GLY HA2 H 4.255 0.01 2 53 140 7 GLY HA3 H 4.139 0.01 2 54 140 7 GLY CA C 42.038 0.2 1 55 140 7 GLY N N 109.009 0.1 1 56 141 8 PRO HA H 4.548 0.01 1 57 141 8 PRO HB2 H 2.343 0.01 2 58 141 8 PRO HB3 H 1.959 0.01 2 59 141 8 PRO HD2 H 3.723 0.01 2 60 141 8 PRO HD3 H 3.723 0.01 2 61 141 8 PRO HG2 H 2.104 0.01 2 62 141 8 PRO C C 173.767 0.2 1 63 141 8 PRO CA C 60.323 0.2 1 64 141 8 PRO CB C 29.698 0.2 1 65 141 8 PRO CD C 47.101 0.2 1 66 141 8 PRO CG C 24.603 0.2 1 67 142 9 LYS H H 8.463 0.01 1 68 142 9 LYS HA H 4.441 0.01 1 69 142 9 LYS HB2 H 1.852 0.01 2 70 142 9 LYS HB3 H 1.905 0.01 2 71 142 9 LYS HD2 H 1.777 0.01 2 72 142 9 LYS HD3 H 1.777 0.01 2 73 142 9 LYS HE2 H 3.095 0.01 2 74 142 9 LYS HE3 H 3.095 0.01 2 75 142 9 LYS HG2 H 1.565 0.01 2 76 142 9 LYS HG3 H 1.565 0.01 2 77 142 9 LYS C C 173.234 0.2 1 78 142 9 LYS CA C 53.318 0.2 1 79 142 9 LYS CB C 30.402 0.2 1 80 142 9 LYS CD C 26.341 0.2 1 81 142 9 LYS CE C 39.684 0.2 1 82 142 9 LYS CG C 22.049 0.2 1 83 142 9 LYS N N 121.544 0.1 1 84 143 10 ILE H H 8.203 0.01 1 85 143 10 ILE HA H 4.484 0.01 1 86 143 10 ILE HB H 2.013 0.01 1 87 143 10 ILE HD1 H 0.942 0.01 1 88 143 10 ILE HG12 H 1.643 0.01 2 89 143 10 ILE HG13 H 1.288 0.01 2 90 143 10 ILE HG2 H 1.039 0.01 1 91 143 10 ILE CA C 56.372 0.2 1 92 143 10 ILE CB C 35.676 0.2 1 93 143 10 ILE CD1 C 9.942 0.2 1 94 143 10 ILE CG1 C 24.704 0.2 1 95 143 10 ILE CG2 C 14.800 0.2 1 96 143 10 ILE N N 122.311 0.1 1 97 144 11 PRO HA H 4.554 0.01 1 98 144 11 PRO HB2 H 2.468 0.01 2 99 144 11 PRO HB3 H 2.027 0.01 2 100 144 11 PRO HD2 H 3.717 0.01 2 101 144 11 PRO HD3 H 4.018 0.01 2 102 144 11 PRO HG2 H 2.120 0.01 2 103 144 11 PRO C C 173.960 0.2 1 104 144 11 PRO CA C 60.882 0.2 1 105 144 11 PRO CB C 29.602 0.2 1 106 144 11 PRO CD C 48.166 0.2 1 107 144 11 PRO CG C 25.058 0.2 1 108 145 12 SER H H 8.378 0.01 1 109 145 12 SER HA H 4.505 0.01 1 110 145 12 SER HB2 H 4.061 0.01 2 111 145 12 SER HB3 H 4.021 0.01 2 112 145 12 SER C C 172.678 0.2 1 113 145 12 SER CA C 56.805 0.2 1 114 145 12 SER CB C 60.957 0.2 1 115 145 12 SER N N 115.995 0.1 1 116 146 13 ILE H H 8.290 0.01 1 117 146 13 ILE HA H 4.211 0.01 1 118 146 13 ILE HB H 2.009 0.01 1 119 146 13 ILE HD1 H 0.972 0.01 1 120 146 13 ILE HG12 H 1.641 0.01 2 121 146 13 ILE HG13 H 1.316 0.01 2 122 146 13 ILE HG2 H 1.016 0.01 1 123 146 13 ILE C C 173.041 0.2 1 124 146 13 ILE CA C 59.553 0.2 1 125 146 13 ILE CB C 35.886 0.2 1 126 146 13 ILE CD1 C 10.928 0.2 1 127 146 13 ILE CG1 C 25.594 0.2 1 128 146 13 ILE CG2 C 15.192 0.2 1 129 146 13 ILE N N 120.965 0.1 1 130 147 14 ALA H H 8.208 0.01 1 131 147 14 ALA HA H 4.302 0.01 1 132 147 14 ALA HB H 1.545 0.01 1 133 147 14 ALA C C 175.243 0.2 1 134 147 14 ALA CA C 51.267 0.2 1 135 147 14 ALA CB C 16.251 0.2 1 136 147 14 ALA N N 124.005 0.1 1 137 148 15 THR H H 8.001 0.01 1 138 148 15 THR HA H 4.006 0.01 1 139 148 15 THR HB H 4.301 0.01 1 140 148 15 THR HG2 H 1.307 0.01 1 141 148 15 THR C C 173.573 0.2 1 142 148 15 THR CA C 63.004 0.2 1 143 148 15 THR CB C 65.789 0.2 1 144 148 15 THR CG2 C 19.858 0.2 1 145 148 15 THR N N 112.944 0.1 1 146 149 16 GLY HA2 H 3.945 0.01 2 147 149 16 GLY HA3 H 3.945 0.01 2 148 149 16 GLY C C 172.000 0.2 1 149 149 16 GLY CA C 44.304 0.2 1 150 150 17 MET H H 8.282 0.01 1 151 150 17 MET HA H 4.324 0.01 1 152 150 17 MET HB2 H 2.343 0.01 1 153 150 17 MET HB3 H 2.138 0.01 1 154 150 17 MET HE H 2.103 0.01 1 155 150 17 MET HG2 H 2.748 0.01 2 156 150 17 MET HG3 H 2.606 0.01 2 157 150 17 MET C C 175.388 0.2 1 158 150 17 MET CA C 55.752 0.2 1 159 150 17 MET CB C 30.204 0.2 1 160 150 17 MET CE C 14.613 0.2 1 161 150 17 MET CG C 30.225 0.2 1 162 150 17 MET N N 119.671 0.1 1 163 151 18 VAL H H 8.200 0.01 1 164 151 18 VAL HA H 3.644 0.01 1 165 151 18 VAL HB H 2.312 0.01 1 166 151 18 VAL HG1 H 1.005 0.01 1 167 151 18 VAL HG2 H 1.146 0.01 1 168 151 18 VAL C C 174.783 0.2 1 169 151 18 VAL CA C 64.549 0.2 1 170 151 18 VAL CB C 28.480 0.2 1 171 151 18 VAL CG1 C 18.974 0.2 1 172 151 18 VAL CG2 C 20.772 0.2 1 173 151 18 VAL N N 118.343 0.1 1 174 152 19 GLY H H 8.451 0.01 1 175 152 19 GLY HA2 H 3.721 0.01 2 176 152 19 GLY HA3 H 3.799 0.01 2 177 152 19 GLY C C 171.516 0.2 1 178 152 19 GLY CA C 45.114 0.2 1 179 152 19 GLY N N 106.213 0.1 1 180 153 20 ALA H H 8.276 0.01 1 181 153 20 ALA HA H 4.043 0.01 1 182 153 20 ALA HB H 1.559 0.01 1 183 153 20 ALA C C 175.751 0.2 1 184 153 20 ALA CA C 52.783 0.2 1 185 153 20 ALA CB C 15.720 0.2 1 186 153 20 ALA N N 122.200 0.1 1 187 154 21 LEU H H 8.150 0.01 1 188 154 21 LEU HA H 4.067 0.01 1 189 154 21 LEU HB2 H 1.728 0.01 1 190 154 21 LEU HB3 H 1.959 0.01 1 191 154 21 LEU HD1 H 0.933 0.01 2 192 154 21 LEU HD2 H 0.948 0.01 2 193 154 21 LEU HG H 1.916 0.01 1 194 154 21 LEU C C 175.436 0.2 1 195 154 21 LEU CA C 55.426 0.2 1 196 154 21 LEU CB C 39.141 0.2 1 197 154 21 LEU CD1 C 21.514 0.2 1 198 154 21 LEU CD2 C 22.103 0.2 1 199 154 21 LEU CG C 24.443 0.2 1 200 154 21 LEU N N 116.928 0.1 1 201 155 22 LEU H H 8.410 0.01 1 202 155 22 LEU HA H 4.082 0.01 1 203 155 22 LEU HB2 H 1.627 0.01 1 204 155 22 LEU HB3 H 1.987 0.01 1 205 155 22 LEU HD1 H 0.894 0.01 2 206 155 22 LEU HD2 H 0.937 0.01 2 207 155 22 LEU HG H 1.941 0.01 1 208 155 22 LEU C C 174.759 0.2 1 209 155 22 LEU CA C 55.597 0.2 1 210 155 22 LEU CB C 39.029 0.2 1 211 155 22 LEU CD1 C 20.993 0.2 1 212 155 22 LEU CD2 C 22.629 0.2 1 213 155 22 LEU CG C 24.208 0.2 1 214 155 22 LEU N N 118.002 0.1 1 215 156 23 LEU H H 8.211 0.01 1 216 156 23 LEU HA H 4.051 0.01 1 217 156 23 LEU HB2 H 1.830 0.01 1 218 156 23 LEU HB3 H 1.966 0.01 1 219 156 23 LEU HD1 H 0.930 0.01 2 220 156 23 LEU HD2 H 0.910 0.01 2 221 156 23 LEU HG H 1.916 0.01 1 222 156 23 LEU C C 175.267 0.2 1 223 156 23 LEU CA C 55.732 0.2 1 224 156 23 LEU CB C 39.081 0.2 1 225 156 23 LEU CD1 C 21.518 0.2 1 226 156 23 LEU CD2 C 22.084 0.2 1 227 156 23 LEU CG C 24.429 0.2 1 228 156 23 LEU N N 118.325 0.1 1 229 157 24 LEU H H 8.266 0.01 1 230 157 24 LEU HA H 3.967 0.01 1 231 157 24 LEU HB2 H 1.749 0.01 1 232 157 24 LEU HB3 H 1.965 0.01 1 233 157 24 LEU HD1 H 0.898 0.01 2 234 157 24 LEU HD2 H 0.952 0.01 2 235 157 24 LEU HG H 1.897 0.01 1 236 157 24 LEU C C 175.267 0.2 1 237 157 24 LEU CA C 55.818 0.2 1 238 157 24 LEU CB C 39.020 0.2 1 239 157 24 LEU CD1 C 21.369 0.2 1 240 157 24 LEU CD2 C 22.080 0.2 1 241 157 24 LEU CG C 24.310 0.2 1 242 157 24 LEU N N 118.157 0.1 1 243 158 25 LEU H H 8.311 0.01 1 244 158 25 LEU HA H 4.067 0.01 1 245 158 25 LEU HB2 H 1.839 0.01 1 246 158 25 LEU HB3 H 1.944 0.01 1 247 158 25 LEU HD1 H 0.915 0.01 2 248 158 25 LEU HD2 H 0.935 0.01 2 249 158 25 LEU HG H 1.892 0.01 1 250 158 25 LEU C C 175.267 0.2 1 251 158 25 LEU CA C 55.779 0.2 1 252 158 25 LEU CB C 39.349 0.2 1 253 158 25 LEU CD1 C 21.514 0.2 1 254 158 25 LEU CD2 C 21.924 0.2 1 255 158 25 LEU CG C 24.291 0.2 1 256 158 25 LEU N N 118.277 0.1 1 257 159 26 VAL H H 8.299 0.01 1 258 159 26 VAL HA H 3.655 0.01 1 259 159 26 VAL HB H 2.378 0.01 1 260 159 26 VAL HG1 H 0.999 0.01 1 261 159 26 VAL HG2 H 1.140 0.01 1 262 159 26 VAL C C 174.735 0.2 1 263 159 26 VAL CA C 64.707 0.2 1 264 159 26 VAL CB C 28.693 0.2 1 265 159 26 VAL CG1 C 19.018 0.2 1 266 159 26 VAL CG2 C 20.574 0.2 1 267 159 26 VAL N N 117.832 0.1 1 268 160 27 VAL H H 8.365 0.01 1 269 160 27 VAL HA H 3.640 0.01 1 270 160 27 VAL HB H 2.318 0.01 1 271 160 27 VAL HG1 H 0.963 0.01 1 272 160 27 VAL HG2 H 1.097 0.01 1 273 160 27 VAL C C 174.251 0.2 1 274 160 27 VAL CA C 64.622 0.2 1 275 160 27 VAL CB C 28.546 0.2 1 276 160 27 VAL CG1 C 18.974 0.2 1 277 160 27 VAL CG2 C 20.704 0.2 1 278 160 27 VAL N N 119.271 0.1 1 279 161 28 ALA H H 8.665 0.01 1 280 161 28 ALA HA H 4.014 0.01 1 281 161 28 ALA HB H 1.545 0.01 1 282 161 28 ALA C C 176.332 0.2 1 283 161 28 ALA CA C 53.224 0.2 1 284 161 28 ALA CB C 15.487 0.2 1 285 161 28 ALA N N 121.238 0.1 1 286 162 29 LEU H H 8.543 0.01 1 287 162 29 LEU HA H 4.108 0.01 1 288 162 29 LEU HB2 H 1.685 0.01 1 289 162 29 LEU HB3 H 1.966 0.01 1 290 162 29 LEU HD1 H 0.936 0.01 2 291 162 29 LEU HD2 H 0.947 0.01 2 292 162 29 LEU HG H 1.939 0.01 1 293 162 29 LEU C C 175.848 0.2 1 294 162 29 LEU CA C 55.395 0.2 1 295 162 29 LEU CB C 39.251 0.2 1 296 162 29 LEU CD1 C 21.419 0.2 1 297 162 29 LEU CD2 C 22.219 0.2 1 298 162 29 LEU CG C 24.457 0.2 1 299 162 29 LEU N N 116.882 0.1 1 300 163 30 GLY H H 8.707 0.01 1 301 163 30 GLY HA2 H 3.799 0.01 1 302 163 30 GLY HA3 H 3.703 0.01 1 303 163 30 GLY C C 172.073 0.2 1 304 163 30 GLY CA C 45.112 0.2 1 305 163 30 GLY N N 106.598 0.1 1 306 164 31 ILE H H 8.754 0.01 1 307 164 31 ILE HA H 3.835 0.01 1 308 164 31 ILE HB H 2.097 0.01 1 309 164 31 ILE HD1 H 0.867 0.01 1 310 164 31 ILE HG12 H 2.021 0.01 2 311 164 31 ILE HG13 H 1.096 0.01 2 312 164 31 ILE HG2 H 1.034 0.01 1 313 164 31 ILE C C 175.243 0.2 1 314 164 31 ILE CA C 63.043 0.2 1 315 164 31 ILE CB C 35.097 0.2 1 316 164 31 ILE CD1 C 11.179 0.2 1 317 164 31 ILE CG1 C 26.652 0.2 1 318 164 31 ILE CG2 C 15.083 0.2 1 319 164 31 ILE N N 121.246 0.1 1 320 165 32 GLY HA2 H 3.888 0.01 2 321 165 32 GLY HA3 H 3.795 0.01 2 322 165 32 GLY C C 172.532 0.2 1 323 165 32 GLY CA C 45.189 0.2 1 324 166 33 LEU H H 8.655 0.01 1 325 166 33 LEU HA H 4.186 0.01 1 326 166 33 LEU HB2 H 1.996 0.01 1 327 166 33 LEU HB3 H 1.646 0.01 1 328 166 33 LEU HD1 H 0.968 0.01 2 329 166 33 LEU HD2 H 0.975 0.01 2 330 166 33 LEU HG H 1.908 0.01 1 331 166 33 LEU C C 176.041 0.2 1 332 166 33 LEU CA C 55.355 0.2 1 333 166 33 LEU CB C 39.333 0.2 1 334 166 33 LEU CD1 C 21.121 0.2 1 335 166 33 LEU CD2 C 22.775 0.2 1 336 166 33 LEU CG C 24.321 0.2 1 337 166 33 LEU N N 121.166 0.1 1 338 167 34 PHE H H 8.354 0.01 1 339 167 34 PHE HA H 4.310 0.01 1 340 167 34 PHE HB2 H 3.285 0.01 1 341 167 34 PHE HB3 H 3.430 0.01 1 342 167 34 PHE HD1 H 7.287 0.01 1 343 167 34 PHE HD2 H 7.287 0.01 1 344 167 34 PHE HE1 H 7.360 0.01 1 345 167 34 PHE HE2 H 7.360 0.01 1 346 167 34 PHE HZ H 7.346 0.01 1 347 167 34 PHE C C 174.783 0.2 1 348 167 34 PHE CA C 58.710 0.2 1 349 167 34 PHE CB C 36.885 0.2 1 350 167 34 PHE CD1 C 128.936 0.2 1 351 167 34 PHE CE1 C 128.842 0.2 1 352 167 34 PHE CZ C 127.252 0.2 1 353 167 34 PHE N N 119.611 0.1 1 354 168 35 MET H H 8.656 0.01 1 355 168 35 MET HA H 4.198 0.01 1 356 168 35 MET HB2 H 2.360 0.01 1 357 168 35 MET HB3 H 2.279 0.01 1 358 168 35 MET HE H 2.195 0.01 1 359 168 35 MET HG2 H 2.811 0.01 2 360 168 35 MET HG3 H 2.953 0.01 2 361 168 35 MET C C 175.243 0.2 1 362 168 35 MET CA C 55.291 0.2 1 363 168 35 MET CB C 30.074 0.2 1 364 168 35 MET CE C 14.413 0.2 1 365 168 35 MET CG C 30.290 0.2 1 366 168 35 MET N N 116.824 0.1 1 367 169 36 ARG H H 7.983 0.01 1 368 169 36 ARG HA H 4.301 0.01 1 369 169 36 ARG HB2 H 2.109 0.01 2 370 169 36 ARG HB3 H 2.028 0.01 2 371 169 36 ARG HD2 H 3.281 0.01 2 372 169 36 ARG HD3 H 3.281 0.01 2 373 169 36 ARG HG2 H 1.879 0.01 2 374 169 36 ARG HG3 H 1.833 0.01 2 375 169 36 ARG C C 174.662 0.2 1 376 169 36 ARG CA C 55.195 0.2 1 377 169 36 ARG CB C 27.683 0.2 1 378 169 36 ARG CD C 40.913 0.2 1 379 169 36 ARG CG C 24.777 0.2 1 380 169 36 ARG N N 118.597 0.1 1 381 170 37 ARG H H 7.887 0.01 1 382 170 37 ARG HA H 4.265 0.01 1 383 170 37 ARG HB2 H 1.989 0.01 2 384 170 37 ARG HB3 H 1.898 0.01 2 385 170 37 ARG HD2 H 3.234 0.01 2 386 170 37 ARG HD3 H 3.234 0.01 2 387 170 37 ARG HG2 H 1.771 0.01 2 388 170 37 ARG HG3 H 1.771 0.01 2 389 170 37 ARG C C 173.815 0.2 1 390 170 37 ARG CA C 54.465 0.2 1 391 170 37 ARG CB C 27.558 0.2 1 392 170 37 ARG CD C 40.801 0.2 1 393 170 37 ARG CG C 24.638 0.2 1 394 170 37 ARG N N 118.493 0.1 1 395 171 38 ARG H H 7.796 0.01 1 396 171 38 ARG HA H 4.236 0.01 1 397 171 38 ARG HB2 H 1.700 0.01 2 398 171 38 ARG HB3 H 1.815 0.01 2 399 171 38 ARG HD2 H 3.137 0.01 2 400 171 38 ARG HD3 H 3.137 0.01 2 401 171 38 ARG HE H 7.363 0.01 1 402 171 38 ARG HG2 H 1.546 0.01 2 403 171 38 ARG HG3 H 1.546 0.01 2 404 171 38 ARG C C 173.065 0.2 1 405 171 38 ARG CA C 53.650 0.2 1 406 171 38 ARG CB C 27.731 0.2 1 407 171 38 ARG CD C 40.689 0.2 1 408 171 38 ARG CG C 24.327 0.2 1 409 171 38 ARG N N 118.505 0.1 1 410 172 39 HIS H H 8.162 0.01 1 411 172 39 HIS HA H 4.740 0.01 1 412 172 39 HIS HB2 H 3.398 0.01 2 413 172 39 HIS HB3 H 3.269 0.01 2 414 172 39 HIS HD2 H 7.335 0.01 1 415 172 39 HIS HE1 H 8.617 0.01 1 416 172 39 HIS C C 171.274 0.2 1 417 172 39 HIS CA C 52.715 0.2 1 418 172 39 HIS CB C 26.236 0.2 1 419 172 39 HIS CD2 C 117.310 0.2 1 420 172 39 HIS CE1 C 133.828 0.2 1 421 172 39 HIS N N 118.062 0.1 1 422 173 40 ILE H H 8.070 0.01 1 423 173 40 ILE HA H 4.227 0.01 1 424 173 40 ILE HB H 1.922 0.01 1 425 173 40 ILE HD1 H 0.935 0.01 1 426 173 40 ILE HG12 H 1.561 0.01 2 427 173 40 ILE HG13 H 1.250 0.01 2 428 173 40 ILE HG2 H 0.956 0.01 1 429 173 40 ILE C C 172.847 0.2 1 430 173 40 ILE CA C 58.678 0.2 1 431 173 40 ILE CB C 36.079 0.2 1 432 173 40 ILE CD1 C 10.295 0.2 1 433 173 40 ILE CG1 C 24.779 0.2 1 434 173 40 ILE CG2 C 14.825 0.2 1 435 173 40 ILE N N 121.774 0.1 1 436 174 41 VAL H H 8.175 0.01 1 437 174 41 VAL HA H 4.189 0.01 1 438 174 41 VAL HB H 2.126 0.01 1 439 174 41 VAL HG1 H 0.993 0.01 2 440 174 41 VAL HG2 H 1.001 0.01 2 441 174 41 VAL C C 172.702 0.2 1 442 174 41 VAL CA C 59.532 0.2 1 443 174 41 VAL CG1 C 18.552 0.2 1 444 174 41 VAL CG2 C 18.043 0.2 1 445 174 41 VAL N N 124.108 0.1 1 446 175 42 ARG H H 8.380 0.01 1 447 175 42 ARG HA H 4.448 0.01 1 448 175 42 ARG HB2 H 1.933 0.01 2 449 175 42 ARG HB3 H 1.829 0.01 2 450 175 42 ARG HD2 H 3.267 0.01 2 451 175 42 ARG HD3 H 3.267 0.01 2 452 175 42 ARG HG2 H 1.725 0.01 2 453 175 42 ARG HG3 H 1.725 0.01 2 454 175 42 ARG CA C 53.227 0.2 1 455 175 42 ARG CB C 28.395 0.2 1 456 175 42 ARG CD C 40.820 0.2 1 457 175 42 ARG CG C 24.434 0.2 1 458 175 42 ARG N N 125.342 0.1 1 459 176 43 LYS H H 8.379 0.01 1 460 176 43 LYS HA H 4.385 0.01 1 461 176 43 LYS HB2 H 1.846 0.01 2 462 176 43 LYS HB3 H 1.934 0.01 2 463 176 43 LYS HD2 H 1.784 0.01 2 464 176 43 LYS HD3 H 1.784 0.01 2 465 176 43 LYS HE2 H 3.084 0.01 2 466 176 43 LYS HE3 H 3.084 0.01 2 467 176 43 LYS HG2 H 1.495 0.01 2 468 176 43 LYS HG3 H 1.495 0.01 2 469 176 43 LYS C C 172.460 0.2 1 470 176 43 LYS CA C 53.840 0.2 1 471 176 43 LYS CB C 30.475 0.2 1 472 176 43 LYS CD C 26.407 0.2 1 473 176 43 LYS CE C 39.675 0.2 1 474 176 43 LYS CG C 22.089 0.2 1 475 176 43 LYS N N 123.844 0.1 1 476 177 44 ARG H H 7.994 0.01 1 477 177 44 ARG HA H 4.243 0.01 1 478 177 44 ARG HB2 H 1.920 0.01 2 479 177 44 ARG HB3 H 1.803 0.01 2 480 177 44 ARG HD2 H 3.277 0.01 2 481 177 44 ARG HD3 H 3.277 0.01 2 482 177 44 ARG HG2 H 1.693 0.01 2 483 177 44 ARG HG3 H 1.693 0.01 2 484 177 44 ARG CA C 54.760 0.2 1 485 177 44 ARG CB C 29.002 0.2 1 486 177 44 ARG CD C 40.746 0.2 1 487 177 44 ARG CG C 24.556 0.2 1 488 177 44 ARG N N 127.684 0.1 1 stop_ save_