data_16957 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the voltage-sensing domain of KvAP ; _BMRB_accession_number 16957 _BMRB_flat_file_name bmr16957.str _Entry_type original _Submission_date 2010-05-26 _Accession_date 2010-05-26 _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 Butterwick Joel A. . 2 MacKinnon Roderick . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1002 "13C chemical shifts" 754 "15N chemical shifts" 319 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-26 update BMRB 'update entry citation' 2010-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and phospholipid interactions of the isolated voltage-sensor domain from KvAP.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20851706 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Butterwick Joel A. . 2 MacKinnon Roderick . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 403 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 591 _Page_last 606 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KvAP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'voltage-sensor domain of KvAP' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KvAP _Molecular_mass 16197.432 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; LRGLSDLGGRVRNIGDVMEH PLVELGVSYAALLSVIVVVV EYTMQLSGEYLVRLYLVDLI LVIILWADYAYRAYKSGDPA GYVKKTLYEIPALVPAGLLA LIEGHLAGLGLFRLVRLLRF LRILLIISRGSKFLSAIADA ADKLVPR ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 ARG 3 GLY 4 LEU 5 SER 6 ASP 7 LEU 8 GLY 9 GLY 10 ARG 11 VAL 12 ARG 13 ASN 14 ILE 15 GLY 16 ASP 17 VAL 18 MET 19 GLU 20 HIS 21 PRO 22 LEU 23 VAL 24 GLU 25 LEU 26 GLY 27 VAL 28 SER 29 TYR 30 ALA 31 ALA 32 LEU 33 LEU 34 SER 35 VAL 36 ILE 37 VAL 38 VAL 39 VAL 40 VAL 41 GLU 42 TYR 43 THR 44 MET 45 GLN 46 LEU 47 SER 48 GLY 49 GLU 50 TYR 51 LEU 52 VAL 53 ARG 54 LEU 55 TYR 56 LEU 57 VAL 58 ASP 59 LEU 60 ILE 61 LEU 62 VAL 63 ILE 64 ILE 65 LEU 66 TRP 67 ALA 68 ASP 69 TYR 70 ALA 71 TYR 72 ARG 73 ALA 74 TYR 75 LYS 76 SER 77 GLY 78 ASP 79 PRO 80 ALA 81 GLY 82 TYR 83 VAL 84 LYS 85 LYS 86 THR 87 LEU 88 TYR 89 GLU 90 ILE 91 PRO 92 ALA 93 LEU 94 VAL 95 PRO 96 ALA 97 GLY 98 LEU 99 LEU 100 ALA 101 LEU 102 ILE 103 GLU 104 GLY 105 HIS 106 LEU 107 ALA 108 GLY 109 LEU 110 GLY 111 LEU 112 PHE 113 ARG 114 LEU 115 VAL 116 ARG 117 LEU 118 LEU 119 ARG 120 PHE 121 LEU 122 ARG 123 ILE 124 LEU 125 LEU 126 ILE 127 ILE 128 SER 129 ARG 130 GLY 131 SER 132 LYS 133 PHE 134 LEU 135 SER 136 ALA 137 ILE 138 ALA 139 ASP 140 ALA 141 ALA 142 ASP 143 LYS 144 LEU 145 VAL 146 PRO 147 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1ORQ "X-Ray Structure Of A Voltage-Dependent Potassium Channel In Complex With An Fab" 89.12 223 98.47 99.24 3.55e-79 PDB 1ORS "X-Ray Structure Of The Kvap Potassium Channel Voltage Sensor In Complex With An Fab" 89.80 132 100.00 100.00 2.03e-82 PDB 2A0L "Crystal Structure Of Kvap-33h1 Fv Complex" 96.60 241 99.30 100.00 1.52e-88 PDB 2KYH "Solution Structure Of The Voltage-Sensing Domain Of Kvap" 100.00 147 100.00 100.00 2.21e-93 DBJ BAA79939 "voltage-gated potassium channel [Aeropyrum pernix K1]" 97.28 295 99.30 100.00 3.25e-89 SP Q9YDF8 "RecName: Full=Voltage-gated potassium channel; AltName: Full=KvAP" 97.28 295 99.30 100.00 3.25e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Aeropyrum pernix' 56636 Archaea . Aeropyrum pernix 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 $entity 'recombinant technology' . Escherichia coli . pQE60 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.1 0.5 '[U-98% 15N]' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_Nd2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.1 0.5 '[U-98% 15N]' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' D2O 99 % . . 'natural abundance' stop_ save_ save_sample_DCN _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.1 0.5 '[U-100% 13C; U-100% 15N; U-50% 2H]' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_CN _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.1 0.5 '[U-98% 13C; U-98% 15N]' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' D2O 99 % . . 'natural abundance' stop_ save_ save_sample_methyl _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.1 0.5 [13CH3/12CD2]-Leu,Val;[13CH3]-Ile HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_Arg _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.3 0.3 '[U-98% 13C; U-98% 15N]-Arg' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_LGA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.3 0.3 '[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_ILV _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.3 0.3 '[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_10C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.3 0.3 '[U-10% 13C]' HEPES 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' 'diheptanoyl phosphatidylcholine' . mM 5 . 'natural abundance' D2O 99 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_N save_ save_3D_TROSY_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCO' _Sample_label $sample_DCN save_ save_3D_TROSY_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCA' _Sample_label $sample_DCN save_ save_3D_TROSY_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CO)CA' _Sample_label $sample_DCN save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_CN save_ save_3D_TROSY_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCACB' _Sample_label $sample_DCN save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_N save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_CN save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_methyl save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_DCN save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Nd2o save_ save_2D_HN(CO)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(CO)' _Sample_label $sample_LGA save_ save_2D_H(N)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_LGA save_ save_2D_HN(CA)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(CA)' _Sample_label $sample_LGA save_ save_2D_H(N)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CA' _Sample_label $sample_LGA save_ save_2D_HN(CO)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(CO)' _Sample_label $sample_ILV save_ save_2D_H(N)CO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_ILV save_ save_2D_HN(CA)_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(CA)' _Sample_label $sample_ILV save_ save_2D_H(N)CA_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CA' _Sample_label $sample_ILV save_ save_2D_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_LGA save_ save_2D_1H-15N_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_ILV save_ save_2D_1H-15N_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Arg save_ save_2D_HN(CA)_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(CA)' _Sample_label $sample_Arg save_ save_2D_H(N)CA_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CA' _Sample_label $sample_Arg save_ save_3D_1H-15N_NOESY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_DCN save_ save_3D_1H-15N_NOESY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_Nd2o save_ save_3D_1H-13C_NOESYaro_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESYaro' _Sample_label $sample_CN save_ save_2D_1H-13C_HSQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_10C 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' 40 . mM pH 7.0 . pH pressure 1 . atm temperature 318 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D TROSY HNCO' '3D TROSY HNCA' '3D TROSY HN(CO)CA' '3D TROSY HNCACB' '2D 1H-15N HSQC' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_DCN $sample_Nd2o stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'voltage-sensor domain of KvAP' _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 10 6 ASP C C 176.663 0.2 1 2 10 6 ASP CA C 54.380 0.2 1 3 10 6 ASP CB C 40.673 0.2 1 4 11 7 LEU H H 7.983 0.05 1 5 11 7 LEU C C 178.032 0.2 1 6 11 7 LEU CA C 55.649 0.2 1 7 11 7 LEU CB C 41.040 0.2 1 8 11 7 LEU N N 121.525 0.1 1 9 12 8 GLY H H 8.241 0.05 1 10 12 8 GLY C C 174.993 0.2 1 11 12 8 GLY CA C 45.573 0.2 1 12 12 8 GLY N N 107.867 0.1 1 13 13 9 GLY H H 8.086 0.05 1 14 13 9 GLY C C 174.501 0.2 1 15 13 9 GLY CA C 45.298 0.2 1 16 13 9 GLY N N 108.442 0.1 1 17 14 10 ARG H H 7.965 0.05 1 18 14 10 ARG C C 176.518 0.2 1 19 14 10 ARG CA C 56.092 0.2 1 20 14 10 ARG CB C 29.995 0.2 1 21 14 10 ARG N N 120.077 0.1 1 22 15 11 VAL H H 7.911 0.05 1 23 15 11 VAL C C 175.952 0.2 1 24 15 11 VAL CA C 62.222 0.2 1 25 15 11 VAL CB C 31.634 0.2 1 26 15 11 VAL N N 119.482 0.1 1 27 16 12 ARG H H 8.405 0.05 1 28 16 12 ARG C C 176.036 0.2 1 29 16 12 ARG CA C 56.275 0.2 1 30 16 12 ARG CB C 30.226 0.2 1 31 16 12 ARG N N 123.794 0.1 1 32 17 13 ASN H H 8.199 0.05 1 33 17 13 ASN HD21 H 6.802 0.05 2 34 17 13 ASN HD22 H 7.597 0.05 2 35 17 13 ASN C C 175.827 0.2 1 36 17 13 ASN CA C 52.742 0.2 1 37 17 13 ASN CB C 39.126 0.2 1 38 17 13 ASN CG C 176.971 0.2 1 39 17 13 ASN N N 118.195 0.1 1 40 17 13 ASN ND2 N 113.453 0.1 1 41 18 14 ILE H H 8.341 0.05 1 42 18 14 ILE C C 176.812 0.2 1 43 18 14 ILE CA C 62.289 0.2 1 44 18 14 ILE CB C 39.060 0.2 1 45 18 14 ILE N N 120.723 0.1 1 46 19 15 GLY H H 8.463 0.05 1 47 19 15 GLY C C 174.591 0.2 1 48 19 15 GLY CA C 46.252 0.2 1 49 19 15 GLY N N 110.784 0.1 1 50 20 16 ASP H H 7.791 0.05 1 51 20 16 ASP C C 177.662 0.2 1 52 20 16 ASP CA C 55.494 0.2 1 53 20 16 ASP CB C 40.630 0.2 1 54 20 16 ASP N N 119.798 0.1 1 55 21 17 VAL H H 7.521 0.05 1 56 21 17 VAL CA C 63.803 0.2 1 57 21 17 VAL CB C 31.629 0.2 1 58 21 17 VAL N N 117.871 0.1 1 59 22 18 MET H H 7.799 0.05 1 60 22 18 MET C C 176.676 0.2 1 61 22 18 MET CA C 54.822 0.2 1 62 22 18 MET N N 115.784 0.1 1 63 23 19 GLU H H 7.678 0.05 1 64 23 19 GLU C C 176.192 0.2 1 65 23 19 GLU CA C 55.214 0.2 1 66 23 19 GLU N N 116.127 0.1 1 67 24 20 HIS H H 7.799 0.05 1 68 24 20 HIS CA C 55.621 0.2 1 69 24 20 HIS N N 123.218 0.1 1 70 26 22 LEU C C 179.381 0.2 1 71 27 23 VAL H H 7.686 0.05 1 72 27 23 VAL C C 177.500 0.2 1 73 27 23 VAL CA C 66.238 0.2 1 74 27 23 VAL N N 120.396 0.1 1 75 28 24 GLU H H 8.221 0.05 1 76 28 24 GLU C C 180.029 0.2 1 77 28 24 GLU CA C 59.488 0.2 1 78 28 24 GLU N N 119.291 0.1 1 79 29 25 LEU H H 8.078 0.05 1 80 29 25 LEU C C 178.763 0.2 1 81 29 25 LEU CA C 57.191 0.2 1 82 29 25 LEU N N 120.200 0.1 1 83 30 26 GLY H H 8.299 0.05 1 84 30 26 GLY CA C 47.501 0.2 1 85 30 26 GLY N N 108.552 0.1 1 86 31 27 VAL H H 8.773 0.05 1 87 31 27 VAL C C 178.041 0.2 1 88 31 27 VAL CA C 66.745 0.2 1 89 31 27 VAL N N 122.413 0.1 1 90 32 28 SER H H 7.979 0.05 1 91 32 28 SER C C 176.438 0.2 1 92 32 28 SER CA C 62.847 0.2 1 93 32 28 SER N N 117.074 0.1 1 94 33 29 TYR H H 8.409 0.05 1 95 33 29 TYR C C 178.160 0.2 1 96 33 29 TYR CA C 60.159 0.2 1 97 33 29 TYR CB C 37.356 0.2 1 98 33 29 TYR N N 122.022 0.1 1 99 34 30 ALA H H 8.654 0.05 1 100 34 30 ALA C C 179.483 0.2 1 101 34 30 ALA CA C 55.043 0.2 1 102 34 30 ALA N N 122.169 0.1 1 103 35 31 ALA H H 8.808 0.05 1 104 35 31 ALA CA C 54.646 0.2 1 105 35 31 ALA N N 120.414 0.1 1 106 36 32 LEU H H 8.251 0.05 1 107 36 32 LEU C C 179.080 0.2 1 108 36 32 LEU CA C 57.889 0.2 1 109 36 32 LEU N N 121.083 0.1 1 110 37 33 LEU H H 8.677 0.05 1 111 37 33 LEU C C 178.095 0.2 1 112 37 33 LEU CA C 57.577 0.2 1 113 37 33 LEU N N 119.096 0.1 1 114 39 35 VAL H H 7.537 0.05 1 115 39 35 VAL N N 122.668 0.1 1 116 40 36 ILE H H 7.521 0.05 1 117 40 36 ILE N N 119.341 0.1 1 118 41 37 VAL H H 8.362 0.05 1 119 41 37 VAL CA C 66.987 0.2 1 120 41 37 VAL N N 116.305 0.1 1 121 42 38 VAL C C 178.007 0.2 1 122 43 39 VAL H H 7.832 0.05 1 123 43 39 VAL C C 179.365 0.2 1 124 43 39 VAL CA C 66.790 0.2 1 125 43 39 VAL CB C 31.002 0.2 1 126 43 39 VAL N N 121.119 0.1 1 127 44 40 VAL H H 8.550 0.05 1 128 44 40 VAL C C 177.155 0.2 1 129 44 40 VAL CA C 66.675 0.2 1 130 44 40 VAL CB C 30.408 0.2 1 131 44 40 VAL N N 121.874 0.1 1 132 45 41 GLU H H 8.134 0.05 1 133 45 41 GLU C C 177.820 0.2 1 134 45 41 GLU CA C 59.088 0.2 1 135 45 41 GLU CB C 28.674 0.2 1 136 45 41 GLU N N 120.039 0.1 1 137 46 42 TYR H H 7.772 0.05 1 138 46 42 TYR C C 177.155 0.2 1 139 46 42 TYR CA C 60.030 0.2 1 140 46 42 TYR N N 114.765 0.1 1 141 47 43 THR H H 7.846 0.05 1 142 47 43 THR C C 175.592 0.2 1 143 47 43 THR CA C 63.191 0.2 1 144 47 43 THR N N 106.985 0.1 1 145 48 44 MET H H 7.968 0.05 1 146 48 44 MET C C 175.042 0.2 1 147 48 44 MET CA C 55.334 0.2 1 148 48 44 MET CB C 32.875 0.2 1 149 48 44 MET N N 119.555 0.1 1 150 49 45 GLN H H 8.267 0.05 1 151 49 45 GLN HE21 H 6.666 0.05 2 152 49 45 GLN HE22 H 7.386 0.05 2 153 49 45 GLN C C 175.402 0.2 1 154 49 45 GLN CA C 55.297 0.2 1 155 49 45 GLN CD C 180.796 0.2 1 156 49 45 GLN CG C 33.376 0.2 1 157 49 45 GLN N N 120.335 0.1 1 158 49 45 GLN NE2 N 112.253 0.1 1 159 50 46 LEU H H 8.111 0.05 1 160 50 46 LEU C C 176.395 0.2 1 161 50 46 LEU CA C 53.989 0.2 1 162 50 46 LEU N N 122.962 0.1 1 163 51 47 SER H H 8.171 0.05 1 164 51 47 SER C C 175.209 0.2 1 165 51 47 SER CA C 56.868 0.2 1 166 51 47 SER CB C 64.649 0.2 1 167 51 47 SER N N 114.752 0.1 1 168 52 48 GLY H H 8.870 0.05 1 169 52 48 GLY C C 175.559 0.2 1 170 52 48 GLY CA C 47.221 0.2 1 171 52 48 GLY N N 109.495 0.1 1 172 53 49 GLU H H 8.898 0.05 1 173 53 49 GLU C C 178.541 0.2 1 174 53 49 GLU CA C 59.008 0.2 1 175 53 49 GLU N N 121.960 0.1 1 176 54 50 TYR H H 7.741 0.05 1 177 54 50 TYR C C 177.540 0.2 1 178 54 50 TYR CA C 60.347 0.2 1 179 54 50 TYR CB C 37.310 0.2 1 180 54 50 TYR N N 118.511 0.1 1 181 55 51 LEU H H 7.763 0.05 1 182 55 51 LEU C C 177.764 0.2 1 183 55 51 LEU CA C 57.137 0.2 1 184 55 51 LEU CB C 40.504 0.2 1 185 55 51 LEU N N 121.528 0.1 1 186 56 52 VAL H H 7.771 0.05 1 187 56 52 VAL C C 177.835 0.2 1 188 56 52 VAL CA C 67.079 0.2 1 189 56 52 VAL CB C 30.540 0.2 1 190 56 52 VAL N N 116.624 0.1 1 191 57 53 ARG H H 7.461 0.05 1 192 57 53 ARG C C 177.779 0.2 1 193 57 53 ARG CA C 60.013 0.2 1 194 57 53 ARG CB C 29.366 0.2 1 195 57 53 ARG N N 116.740 0.1 1 196 58 54 LEU H H 7.957 0.05 1 197 58 54 LEU C C 178.828 0.2 1 198 58 54 LEU CA C 58.516 0.2 1 199 58 54 LEU CB C 40.782 0.2 1 200 58 54 LEU N N 120.427 0.1 1 201 59 55 TYR H H 8.311 0.05 1 202 59 55 TYR C C 179.668 0.2 1 203 59 55 TYR CA C 58.283 0.2 1 204 59 55 TYR CB C 35.587 0.2 1 205 59 55 TYR N N 116.695 0.1 1 206 60 56 LEU H H 8.433 0.05 1 207 60 56 LEU C C 177.988 0.2 1 208 60 56 LEU CA C 57.783 0.2 1 209 60 56 LEU CB C 40.736 0.2 1 210 60 56 LEU N N 123.646 0.1 1 211 61 57 VAL H H 8.175 0.05 1 212 61 57 VAL C C 177.540 0.2 1 213 61 57 VAL CA C 66.940 0.2 1 214 61 57 VAL CB C 30.164 0.2 1 215 61 57 VAL N N 119.714 0.1 1 216 62 58 ASP H H 8.444 0.05 1 217 62 58 ASP C C 176.369 0.2 1 218 62 58 ASP CA C 58.065 0.2 1 219 62 58 ASP CB C 42.653 0.2 1 220 62 58 ASP N N 118.064 0.1 1 221 63 59 LEU H H 7.724 0.05 1 222 63 59 LEU CA C 57.861 0.2 1 223 63 59 LEU CB C 41.001 0.2 1 224 63 59 LEU N N 117.345 0.1 1 225 64 60 ILE H H 7.740 0.05 1 226 64 60 ILE N N 117.213 0.1 1 227 65 61 LEU H H 8.013 0.05 1 228 65 61 LEU N N 117.362 0.1 1 229 66 62 VAL H H 8.747 0.05 1 230 66 62 VAL N N 116.751 0.1 1 231 67 63 ILE H H 8.084 0.05 1 232 67 63 ILE N N 121.694 0.1 1 233 68 64 ILE H H 7.564 0.05 1 234 68 64 ILE N N 119.428 0.1 1 235 69 65 LEU H H 8.082 0.05 1 236 69 65 LEU N N 118.286 0.1 1 237 70 66 TRP H H 9.662 0.05 1 238 70 66 TRP HE1 H 10.236 0.05 1 239 70 66 TRP C C 178.158 0.2 1 240 70 66 TRP CA C 60.421 0.2 1 241 70 66 TRP CB C 32.202 0.2 1 242 70 66 TRP N N 124.059 0.1 1 243 70 66 TRP NE1 N 127.938 0.1 1 244 71 67 ALA H H 8.297 0.05 1 245 71 67 ALA C C 178.810 0.2 1 246 71 67 ALA CA C 55.346 0.2 1 247 71 67 ALA CB C 16.792 0.2 1 248 71 67 ALA N N 121.805 0.1 1 249 72 68 ASP H H 7.771 0.05 1 250 72 68 ASP C C 176.605 0.2 1 251 72 68 ASP CA C 57.377 0.2 1 252 72 68 ASP CB C 43.238 0.2 1 253 72 68 ASP N N 116.246 0.1 1 254 73 69 TYR H H 8.262 0.05 1 255 73 69 TYR C C 177.119 0.2 1 256 73 69 TYR CA C 61.900 0.2 1 257 73 69 TYR CB C 39.518 0.2 1 258 73 69 TYR N N 120.892 0.1 1 259 74 70 ALA H H 9.115 0.05 1 260 74 70 ALA C C 179.298 0.2 1 261 74 70 ALA CA C 54.503 0.2 1 262 74 70 ALA CB C 17.434 0.2 1 263 74 70 ALA N N 118.861 0.1 1 264 75 71 TYR H H 8.360 0.05 1 265 75 71 TYR C C 177.262 0.2 1 266 75 71 TYR CA C 61.717 0.2 1 267 75 71 TYR CB C 37.626 0.2 1 268 75 71 TYR N N 118.186 0.1 1 269 76 72 ARG H H 8.165 0.05 1 270 76 72 ARG C C 179.322 0.2 1 271 76 72 ARG CA C 59.686 0.2 1 272 76 72 ARG CB C 27.937 0.2 1 273 76 72 ARG N N 119.408 0.1 1 274 77 73 ALA H H 8.106 0.05 1 275 77 73 ALA C C 180.987 0.2 1 276 77 73 ALA CA C 54.225 0.2 1 277 77 73 ALA CB C 16.212 0.2 1 278 77 73 ALA N N 122.026 0.1 1 279 78 74 TYR H H 8.403 0.05 1 280 78 74 TYR C C 178.912 0.2 1 281 78 74 TYR CA C 61.462 0.2 1 282 78 74 TYR CB C 37.523 0.2 1 283 78 74 TYR N N 120.196 0.1 1 284 79 75 LYS H H 8.591 0.05 1 285 79 75 LYS C C 177.804 0.2 1 286 79 75 LYS CA C 57.175 0.2 1 287 79 75 LYS CB C 30.233 0.2 1 288 79 75 LYS N N 121.661 0.1 1 289 80 76 SER H H 7.089 0.05 1 290 80 76 SER C C 175.495 0.2 1 291 80 76 SER CA C 60.323 0.2 1 292 80 76 SER CB C 63.702 0.2 1 293 80 76 SER N N 113.542 0.1 1 294 81 77 GLY H H 7.265 0.05 1 295 81 77 GLY C C 173.328 0.2 1 296 81 77 GLY CA C 44.928 0.2 1 297 81 77 GLY N N 109.521 0.1 1 298 82 78 ASP H H 7.736 0.05 1 299 82 78 ASP CA C 51.192 0.2 1 300 82 78 ASP CB C 39.791 0.2 1 301 82 78 ASP N N 116.612 0.1 1 302 83 79 PRO C C 177.467 0.2 1 303 83 79 PRO CA C 65.097 0.2 1 304 83 79 PRO CB C 30.968 0.2 1 305 84 80 ALA H H 8.168 0.05 1 306 84 80 ALA C C 180.295 0.2 1 307 84 80 ALA CA C 55.005 0.2 1 308 84 80 ALA CB C 17.584 0.2 1 309 84 80 ALA N N 118.273 0.1 1 310 85 81 GLY H H 7.694 0.05 1 311 85 81 GLY C C 176.532 0.2 1 312 85 81 GLY CA C 46.810 0.2 1 313 85 81 GLY N N 106.781 0.1 1 314 86 82 TYR H H 8.605 0.05 1 315 86 82 TYR C C 179.467 0.2 1 316 86 82 TYR CA C 62.086 0.2 1 317 86 82 TYR CB C 38.263 0.2 1 318 86 82 TYR N N 124.586 0.1 1 319 87 83 VAL H H 8.099 0.05 1 320 87 83 VAL C C 177.434 0.2 1 321 87 83 VAL CA C 64.823 0.2 1 322 87 83 VAL CB C 30.864 0.2 1 323 87 83 VAL N N 121.152 0.1 1 324 88 84 LYS H H 7.231 0.05 1 325 88 84 LYS C C 178.465 0.2 1 326 88 84 LYS CA C 59.375 0.2 1 327 88 84 LYS CB C 31.444 0.2 1 328 88 84 LYS N N 115.366 0.1 1 329 89 85 LYS H H 7.323 0.05 1 330 89 85 LYS C C 177.599 0.2 1 331 89 85 LYS CA C 57.151 0.2 1 332 89 85 LYS CB C 32.342 0.2 1 333 89 85 LYS N N 115.808 0.1 1 334 90 86 THR H H 7.520 0.05 1 335 90 86 THR C C 175.212 0.2 1 336 90 86 THR CA C 60.374 0.2 1 337 90 86 THR CB C 67.994 0.2 1 338 90 86 THR N N 110.103 0.1 1 339 91 87 LEU H H 7.186 0.05 1 340 91 87 LEU C C 177.919 0.2 1 341 91 87 LEU CA C 57.806 0.2 1 342 91 87 LEU CB C 41.599 0.2 1 343 91 87 LEU N N 122.360 0.1 1 344 92 88 TYR H H 7.223 0.05 1 345 92 88 TYR C C 175.882 0.2 1 346 92 88 TYR CA C 58.755 0.2 1 347 92 88 TYR CB C 36.343 0.2 1 348 92 88 TYR N N 110.812 0.1 1 349 93 89 GLU H H 7.838 0.05 1 350 93 89 GLU C C 177.047 0.2 1 351 93 89 GLU CA C 57.942 0.2 1 352 93 89 GLU CB C 29.997 0.2 1 353 93 89 GLU N N 120.109 0.1 1 354 94 90 ILE H H 7.274 0.05 1 355 94 90 ILE CA C 64.666 0.2 1 356 94 90 ILE CB C 33.777 0.2 1 357 94 90 ILE N N 117.284 0.1 1 358 95 91 PRO C C 175.514 0.2 1 359 95 91 PRO CA C 65.418 0.2 1 360 96 92 ALA H H 7.050 0.05 1 361 96 92 ALA CA C 53.641 0.2 1 362 96 92 ALA N N 112.531 0.1 1 363 97 93 LEU H H 7.548 0.05 1 364 97 93 LEU C C 175.819 0.2 1 365 97 93 LEU CA C 53.571 0.2 1 366 97 93 LEU N N 113.448 0.1 1 367 98 94 VAL H H 7.055 0.05 1 368 98 94 VAL CA C 59.645 0.2 1 369 98 94 VAL CB C 32.170 0.2 1 370 98 94 VAL N N 119.556 0.1 1 371 100 96 ALA H H 9.888 0.05 1 372 100 96 ALA C C 180.405 0.2 1 373 100 96 ALA CA C 54.959 0.2 1 374 100 96 ALA N N 132.456 0.1 1 375 101 97 GLY H H 9.540 0.05 1 376 101 97 GLY C C 174.901 0.2 1 377 101 97 GLY CA C 45.065 0.2 1 378 101 97 GLY N N 105.054 0.1 1 379 102 98 LEU H H 7.071 0.05 1 380 102 98 LEU C C 177.920 0.2 1 381 102 98 LEU CA C 56.930 0.2 1 382 102 98 LEU CB C 41.395 0.2 1 383 102 98 LEU N N 118.446 0.1 1 384 103 99 LEU H H 6.837 0.05 1 385 103 99 LEU C C 178.209 0.2 1 386 103 99 LEU CA C 57.653 0.2 1 387 103 99 LEU CB C 39.520 0.2 1 388 103 99 LEU N N 116.742 0.1 1 389 104 100 ALA H H 7.574 0.05 1 390 104 100 ALA C C 180.462 0.2 1 391 104 100 ALA CA C 54.773 0.2 1 392 104 100 ALA CB C 17.516 0.2 1 393 104 100 ALA N N 120.338 0.1 1 394 105 101 LEU H H 7.603 0.05 1 395 105 101 LEU C C 178.955 0.2 1 396 105 101 LEU CA C 57.512 0.2 1 397 105 101 LEU N N 119.161 0.1 1 398 106 102 ILE H H 7.793 0.05 1 399 106 102 ILE C C 177.604 0.2 1 400 106 102 ILE CA C 64.958 0.2 1 401 106 102 ILE N N 118.433 0.1 1 402 107 103 GLU H H 8.625 0.05 1 403 107 103 GLU C C 178.449 0.2 1 404 107 103 GLU CA C 60.387 0.2 1 405 107 103 GLU CB C 29.199 0.2 1 406 107 103 GLU N N 120.763 0.1 1 407 108 104 GLY H H 8.116 0.05 1 408 108 104 GLY C C 176.772 0.2 1 409 108 104 GLY CA C 46.781 0.2 1 410 108 104 GLY N N 104.583 0.1 1 411 109 105 HIS H H 7.899 0.05 1 412 109 105 HIS C C 177.993 0.2 1 413 109 105 HIS CA C 59.177 0.2 1 414 109 105 HIS N N 122.627 0.1 1 415 110 106 LEU H H 8.327 0.05 1 416 110 106 LEU C C 179.199 0.2 1 417 110 106 LEU CA C 57.251 0.2 1 418 110 106 LEU N N 118.265 0.1 1 419 111 107 ALA H H 8.562 0.05 1 420 111 107 ALA C C 181.636 0.2 1 421 111 107 ALA CA C 54.803 0.2 1 422 111 107 ALA CB C 17.260 0.2 1 423 111 107 ALA N N 122.346 0.1 1 424 112 108 GLY H H 7.881 0.05 1 425 112 108 GLY C C 175.342 0.2 1 426 112 108 GLY CA C 46.227 0.2 1 427 112 108 GLY N N 107.483 0.1 1 428 113 109 LEU H H 7.149 0.05 1 429 113 109 LEU C C 177.360 0.2 1 430 113 109 LEU CA C 54.476 0.2 1 431 113 109 LEU N N 119.171 0.1 1 432 114 110 GLY H H 7.737 0.05 1 433 114 110 GLY C C 175.588 0.2 1 434 114 110 GLY CA C 45.177 0.2 1 435 114 110 GLY N N 107.626 0.1 1 436 115 111 LEU H H 7.548 0.05 1 437 115 111 LEU C C 178.041 0.2 1 438 115 111 LEU N N 122.567 0.1 1 439 116 112 PHE H H 7.570 0.05 1 440 116 112 PHE CA C 61.194 0.2 1 441 116 112 PHE CB C 37.959 0.2 1 442 116 112 PHE N N 119.946 0.1 1 443 117 113 ARG C C 178.521 0.2 1 444 117 113 ARG CA C 59.404 0.2 1 445 118 114 LEU H H 7.312 0.05 1 446 118 114 LEU C C 178.906 0.2 1 447 118 114 LEU CA C 56.677 0.2 1 448 118 114 LEU N N 117.674 0.1 1 449 119 115 VAL H H 7.807 0.05 1 450 119 115 VAL C C 177.650 0.2 1 451 119 115 VAL CA C 67.068 0.2 1 452 119 115 VAL N N 120.141 0.1 1 453 120 116 ARG H H 7.672 0.05 1 454 120 116 ARG C C 178.466 0.2 1 455 120 116 ARG CA C 59.521 0.2 1 456 120 116 ARG CB C 29.103 0.2 1 457 120 116 ARG N N 118.048 0.1 1 458 121 117 LEU H H 7.452 0.05 1 459 121 117 LEU C C 178.300 0.2 1 460 121 117 LEU CA C 57.825 0.2 1 461 121 117 LEU CB C 40.713 0.2 1 462 121 117 LEU N N 118.674 0.1 1 463 122 118 LEU H H 8.073 0.05 1 464 122 118 LEU CA C 57.222 0.2 1 465 122 118 LEU N N 120.916 0.1 1 466 123 119 ARG H H 8.283 0.05 1 467 123 119 ARG C C 179.065 0.2 1 468 123 119 ARG CA C 59.349 0.2 1 469 123 119 ARG N N 119.331 0.1 1 470 124 120 PHE H H 8.000 0.05 1 471 124 120 PHE C C 177.458 0.2 1 472 124 120 PHE CA C 60.398 0.2 1 473 124 120 PHE N N 119.695 0.1 1 474 125 121 LEU H H 8.315 0.05 1 475 125 121 LEU C C 178.615 0.2 1 476 125 121 LEU CA C 57.538 0.2 1 477 125 121 LEU N N 118.651 0.1 1 478 126 122 ARG H H 8.076 0.05 1 479 126 122 ARG C C 178.174 0.2 1 480 126 122 ARG CA C 59.820 0.2 1 481 126 122 ARG N N 118.448 0.1 1 482 127 123 ILE H H 7.681 0.05 1 483 127 123 ILE CA C 64.286 0.2 1 484 127 123 ILE N N 118.362 0.1 1 485 128 124 LEU H H 7.484 0.05 1 486 128 124 LEU CA C 57.661 0.2 1 487 128 124 LEU N N 118.609 0.1 1 488 129 125 LEU H H 8.066 0.05 1 489 129 125 LEU N N 121.058 0.1 1 490 130 126 ILE H H 8.049 0.05 1 491 130 126 ILE N N 119.402 0.1 1 492 131 127 ILE H H 8.085 0.05 1 493 131 127 ILE CA C 64.934 0.2 1 494 131 127 ILE N N 119.538 0.1 1 495 132 128 SER H H 8.558 0.05 1 496 132 128 SER C C 178.056 0.2 1 497 132 128 SER CA C 62.106 0.2 1 498 132 128 SER CB C 62.858 0.2 1 499 132 128 SER N N 115.960 0.1 1 500 133 129 ARG H H 8.682 0.05 1 501 133 129 ARG C C 178.929 0.2 1 502 133 129 ARG N N 120.571 0.1 1 503 134 130 GLY H H 8.666 0.05 1 504 134 130 GLY C C 174.841 0.2 1 505 134 130 GLY CA C 47.114 0.2 1 506 134 130 GLY N N 107.484 0.1 1 507 135 131 SER H H 8.492 0.05 1 508 135 131 SER C C 176.581 0.2 1 509 135 131 SER CA C 61.905 0.2 1 510 135 131 SER N N 117.624 0.1 1 511 136 132 LYS H H 8.034 0.05 1 512 136 132 LYS C C 178.785 0.2 1 513 136 132 LYS CA C 58.558 0.2 1 514 136 132 LYS N N 122.378 0.1 1 515 137 133 PHE H H 7.940 0.05 1 516 137 133 PHE C C 175.809 0.2 1 517 137 133 PHE CA C 60.457 0.2 1 518 137 133 PHE N N 119.228 0.1 1 519 138 134 LEU H H 7.903 0.05 1 520 138 134 LEU C C 178.939 0.2 1 521 138 134 LEU CA C 57.322 0.2 1 522 138 134 LEU N N 118.378 0.1 1 523 139 135 SER H H 8.263 0.05 1 524 139 135 SER C C 176.288 0.2 1 525 139 135 SER CA C 61.203 0.2 1 526 139 135 SER CB C 62.512 0.2 1 527 139 135 SER N N 114.150 0.1 1 528 140 136 ALA H H 7.956 0.05 1 529 140 136 ALA C C 180.348 0.2 1 530 140 136 ALA CA C 54.468 0.2 1 531 140 136 ALA N N 124.280 0.1 1 532 141 137 ILE H H 7.860 0.05 1 533 141 137 ILE C C 177.045 0.2 1 534 141 137 ILE CA C 62.570 0.2 1 535 141 137 ILE CB C 39.769 0.2 1 536 141 137 ILE N N 116.964 0.1 1 537 142 138 ALA H H 7.693 0.05 1 538 142 138 ALA C C 179.802 0.2 1 539 142 138 ALA CA C 54.650 0.2 1 540 142 138 ALA N N 123.933 0.1 1 541 143 139 ASP H H 7.867 0.05 1 542 143 139 ASP C C 178.059 0.2 1 543 143 139 ASP CA C 56.403 0.2 1 544 143 139 ASP CB C 40.659 0.2 1 545 143 139 ASP N N 118.233 0.1 1 546 144 140 ALA H H 7.903 0.05 1 547 144 140 ALA C C 179.302 0.2 1 548 144 140 ALA CA C 54.028 0.2 1 549 144 140 ALA N N 121.325 0.1 1 550 145 141 ALA H H 8.247 0.05 1 551 145 141 ALA C C 179.008 0.2 1 552 145 141 ALA CA C 54.639 0.2 1 553 145 141 ALA CB C 17.521 0.2 1 554 145 141 ALA N N 119.704 0.1 1 555 146 142 ASP H H 7.779 0.05 1 556 146 142 ASP C C 177.615 0.2 1 557 146 142 ASP CA C 56.110 0.2 1 558 146 142 ASP CB C 41.038 0.2 1 559 146 142 ASP N N 116.554 0.1 1 560 147 143 LYS H H 7.555 0.05 1 561 147 143 LYS C C 177.528 0.2 1 562 147 143 LYS CA C 56.765 0.2 1 563 147 143 LYS CB C 32.210 0.2 1 564 147 143 LYS N N 116.472 0.1 1 565 148 144 LEU H H 7.738 0.05 1 566 148 144 LEU C C 176.725 0.2 1 567 148 144 LEU CA C 55.331 0.2 1 568 148 144 LEU CB C 42.389 0.2 1 569 148 144 LEU N N 118.854 0.1 1 570 149 145 VAL H H 7.569 0.05 1 571 149 145 VAL CA C 59.661 0.2 1 572 149 145 VAL CB C 31.699 0.2 1 573 149 145 VAL N N 119.646 0.1 1 574 150 146 PRO C C 176.048 0.2 1 575 150 146 PRO CA C 63.069 0.2 1 576 150 146 PRO CB C 30.992 0.2 1 577 151 147 ARG H H 7.832 0.05 1 578 151 147 ARG CA C 56.912 0.2 1 579 151 147 ARG N N 127.098 0.1 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-13C NOESYaro' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_N $sample_CN $sample_methyl $sample_Nd2o $sample_10C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'voltage-sensor domain of KvAP' _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 7 3 GLY HA2 H 4.014 0.05 2 2 7 3 GLY HA3 H 4.014 0.05 2 3 7 3 GLY CA C 44.937 0.2 1 4 8 4 LEU HA H 4.079 0.05 1 5 8 4 LEU HB2 H 1.840 0.05 2 6 8 4 LEU HB3 H 1.636 0.05 2 7 8 4 LEU HD1 H 0.866 0.05 2 8 8 4 LEU HD2 H 0.866 0.05 2 9 8 4 LEU CA C 57.629 0.2 1 10 8 4 LEU CB C 42.326 0.2 1 11 9 5 SER HA H 4.341 0.05 1 12 9 5 SER HB2 H 3.894 0.05 2 13 9 5 SER HB3 H 3.828 0.05 2 14 9 5 SER CA C 59.050 0.2 1 15 9 5 SER CB C 63.240 0.2 1 16 10 6 ASP HA H 4.599 0.05 1 17 10 6 ASP HB2 H 2.693 0.05 2 18 10 6 ASP HB3 H 2.693 0.05 2 19 10 6 ASP CA C 54.450 0.2 1 20 10 6 ASP CB C 41.052 0.2 1 21 11 7 LEU H H 8.033 0.05 1 22 11 7 LEU HA H 4.220 0.05 1 23 11 7 LEU HB2 H 1.704 0.05 2 24 11 7 LEU HB3 H 1.624 0.05 2 25 11 7 LEU HD1 H 0.885 0.05 1 26 11 7 LEU HD2 H 0.833 0.05 1 27 11 7 LEU HG H 1.635 0.05 1 28 11 7 LEU CA C 55.776 0.2 1 29 11 7 LEU CB C 41.908 0.2 1 30 11 7 LEU CD1 C 25.017 0.2 1 31 11 7 LEU CD2 C 23.540 0.2 1 32 11 7 LEU CG C 26.991 0.2 1 33 11 7 LEU N N 121.116 0.1 1 34 12 8 GLY H H 8.300 0.05 1 35 12 8 GLY HA2 H 3.907 0.05 2 36 12 8 GLY HA3 H 3.907 0.05 2 37 12 8 GLY CA C 45.769 0.2 1 38 12 8 GLY N N 107.475 0.1 1 39 13 9 GLY H H 8.144 0.05 1 40 13 9 GLY HA2 H 3.936 0.05 2 41 13 9 GLY HA3 H 3.936 0.05 2 42 13 9 GLY CA C 45.394 0.2 1 43 13 9 GLY N N 108.139 0.1 1 44 14 10 ARG H H 8.010 0.05 1 45 14 10 ARG HA H 4.336 0.05 1 46 14 10 ARG HB2 H 1.859 0.05 2 47 14 10 ARG HB3 H 1.783 0.05 2 48 14 10 ARG HD2 H 3.175 0.05 2 49 14 10 ARG HD3 H 3.175 0.05 2 50 14 10 ARG HG2 H 1.644 0.05 2 51 14 10 ARG HG3 H 1.644 0.05 2 52 14 10 ARG CA C 56.267 0.2 1 53 14 10 ARG CB C 30.862 0.2 1 54 14 10 ARG CD C 43.187 0.2 1 55 14 10 ARG CG C 26.731 0.2 1 56 14 10 ARG N N 119.856 0.1 1 57 15 11 VAL H H 7.953 0.05 1 58 15 11 VAL HA H 4.082 0.05 1 59 15 11 VAL HB H 2.078 0.05 1 60 15 11 VAL HG1 H 0.897 0.05 1 61 15 11 VAL HG2 H 0.907 0.05 1 62 15 11 VAL CA C 62.233 0.2 1 63 15 11 VAL CB C 32.339 0.2 1 64 15 11 VAL CG1 C 21.468 0.2 1 65 15 11 VAL CG2 C 20.933 0.2 1 66 15 11 VAL N N 119.042 0.1 1 67 16 12 ARG H H 8.450 0.05 1 68 16 12 ARG HA H 4.328 0.05 1 69 16 12 ARG HB2 H 1.840 0.05 2 70 16 12 ARG HB3 H 1.773 0.05 2 71 16 12 ARG HG2 H 1.643 0.05 2 72 16 12 ARG HG3 H 1.643 0.05 2 73 16 12 ARG CB C 31.145 0.2 1 74 16 12 ARG N N 123.495 0.1 1 75 17 13 ASN H H 8.226 0.05 1 76 17 13 ASN HA H 4.798 0.05 1 77 17 13 ASN HB2 H 2.930 0.05 2 78 17 13 ASN HB3 H 2.845 0.05 2 79 17 13 ASN HD21 H 7.644 0.05 2 80 17 13 ASN HD22 H 6.849 0.05 2 81 17 13 ASN CA C 52.647 0.2 1 82 17 13 ASN CB C 39.623 0.2 1 83 17 13 ASN N N 117.760 0.1 1 84 17 13 ASN ND2 N 113.086 0.1 1 85 18 14 ILE H H 8.391 0.05 1 86 18 14 ILE HA H 3.989 0.05 1 87 18 14 ILE HB H 1.913 0.05 1 88 18 14 ILE HD1 H 0.871 0.05 1 89 18 14 ILE HG12 H 1.497 0.05 2 90 18 14 ILE HG13 H 1.240 0.05 2 91 18 14 ILE HG2 H 0.948 0.05 1 92 18 14 ILE CA C 62.639 0.2 1 93 18 14 ILE CB C 38.174 0.2 1 94 18 14 ILE CD1 C 13.522 0.2 1 95 18 14 ILE CG1 C 28.493 0.2 1 96 18 14 ILE CG2 C 17.948 0.2 1 97 18 14 ILE N N 120.395 0.1 1 98 19 15 GLY H H 8.527 0.05 1 99 19 15 GLY HA2 H 3.950 0.05 2 100 19 15 GLY HA3 H 3.794 0.05 2 101 19 15 GLY CA C 46.579 0.2 1 102 19 15 GLY N N 110.549 0.1 1 103 20 16 ASP H H 7.848 0.05 1 104 20 16 ASP HA H 4.493 0.05 1 105 20 16 ASP HB2 H 2.780 0.05 2 106 20 16 ASP HB3 H 2.780 0.05 2 107 20 16 ASP CA C 55.777 0.2 1 108 20 16 ASP CB C 40.974 0.2 1 109 20 16 ASP N N 119.494 0.1 1 110 21 17 VAL H H 7.561 0.05 1 111 21 17 VAL HA H 3.922 0.05 1 112 21 17 VAL HB H 2.144 0.05 1 113 21 17 VAL HG1 H 0.900 0.05 1 114 21 17 VAL HG2 H 0.951 0.05 1 115 21 17 VAL CA C 64.313 0.2 1 116 21 17 VAL CB C 32.282 0.2 1 117 21 17 VAL CG1 C 21.369 0.2 1 118 21 17 VAL CG2 C 21.608 0.2 1 119 21 17 VAL N N 117.535 0.1 1 120 22 18 MET H H 7.830 0.05 1 121 22 18 MET HA H 4.369 0.05 1 122 22 18 MET HB2 H 2.292 0.05 2 123 22 18 MET HB3 H 2.121 0.05 2 124 22 18 MET HE H 1.856 0.05 1 125 22 18 MET HG2 H 1.658 0.05 2 126 22 18 MET HG3 H 1.277 0.05 2 127 22 18 MET CA C 55.197 0.2 1 128 22 18 MET CE C 15.268 0.2 1 129 22 18 MET N N 115.526 0.1 1 130 23 19 GLU H H 7.718 0.05 1 131 23 19 GLU HA H 4.393 0.05 1 132 23 19 GLU HB2 H 2.206 0.05 2 133 23 19 GLU HB3 H 1.887 0.05 2 134 23 19 GLU HG2 H 2.321 0.05 2 135 23 19 GLU HG3 H 2.278 0.05 2 136 23 19 GLU CA C 55.234 0.2 1 137 23 19 GLU CB C 29.214 0.2 1 138 23 19 GLU CG C 36.436 0.2 1 139 23 19 GLU N N 115.647 0.1 1 140 24 20 HIS H H 7.847 0.05 1 141 24 20 HIS HA H 4.647 0.05 1 142 24 20 HIS HB2 H 3.275 0.05 2 143 24 20 HIS HB3 H 3.118 0.05 2 144 24 20 HIS HD2 H 7.049 0.05 1 145 24 20 HIS HE1 H 7.739 0.05 1 146 24 20 HIS CB C 31.654 0.2 1 147 24 20 HIS CD2 C 119.095 0.2 1 148 24 20 HIS CE1 C 138.652 0.2 1 149 24 20 HIS N N 122.866 0.1 1 150 25 21 PRO HA H 4.384 0.05 1 151 25 21 PRO HB2 H 2.295 0.05 2 152 25 21 PRO HB3 H 1.875 0.05 2 153 25 21 PRO CA C 65.097 0.2 1 154 25 21 PRO CB C 32.074 0.2 1 155 26 22 LEU H H 8.147 0.05 1 156 26 22 LEU HA H 4.260 0.05 1 157 26 22 LEU HB2 H 1.932 0.05 2 158 26 22 LEU HB3 H 1.611 0.05 2 159 26 22 LEU HD1 H 0.987 0.05 1 160 26 22 LEU HD2 H 0.917 0.05 1 161 26 22 LEU HG H 1.840 0.05 1 162 26 22 LEU CA C 57.444 0.2 1 163 26 22 LEU CD1 C 25.173 0.2 1 164 26 22 LEU CD2 C 23.703 0.2 1 165 26 22 LEU CG C 27.366 0.2 1 166 27 23 VAL H H 7.697 0.05 1 167 27 23 VAL HA H 3.629 0.05 1 168 27 23 VAL HB H 2.414 0.05 1 169 27 23 VAL HG1 H 0.960 0.05 1 170 27 23 VAL HG2 H 0.999 0.05 1 171 27 23 VAL CA C 66.401 0.2 1 172 27 23 VAL CB C 31.218 0.2 1 173 27 23 VAL CG1 C 21.280 0.2 1 174 27 23 VAL CG2 C 23.519 0.2 1 175 27 23 VAL N N 120.135 0.1 1 176 28 24 GLU H H 8.273 0.05 1 177 28 24 GLU HA H 4.054 0.05 1 178 28 24 GLU HB2 H 2.085 0.05 2 179 28 24 GLU HB3 H 2.085 0.05 2 180 28 24 GLU HG2 H 2.368 0.05 2 181 28 24 GLU HG3 H 2.323 0.05 2 182 28 24 GLU CA C 59.665 0.2 1 183 28 24 GLU CB C 28.789 0.2 1 184 28 24 GLU CG C 35.746 0.2 1 185 28 24 GLU N N 119.079 0.1 1 186 29 25 LEU H H 8.174 0.05 1 187 29 25 LEU HA H 4.095 0.05 1 188 29 25 LEU HB2 H 1.771 0.05 2 189 29 25 LEU HB3 H 1.771 0.05 2 190 29 25 LEU HD1 H 0.895 0.05 2 191 29 25 LEU HD2 H 1.024 0.05 2 192 29 25 LEU HG H 1.640 0.05 1 193 29 25 LEU CD1 C 24.402 0.2 2 194 29 25 LEU N N 119.949 0.1 1 195 30 26 GLY H H 8.343 0.05 1 196 30 26 GLY HA2 H 3.758 0.05 2 197 30 26 GLY HA3 H 3.758 0.05 2 198 30 26 GLY CA C 47.747 0.2 1 199 30 26 GLY N N 108.456 0.1 1 200 31 27 VAL H H 8.833 0.05 1 201 31 27 VAL HA H 3.530 0.05 1 202 31 27 VAL HB H 2.192 0.05 1 203 31 27 VAL HG1 H 0.903 0.05 1 204 31 27 VAL HG2 H 1.016 0.05 1 205 31 27 VAL CB C 31.292 0.2 1 206 31 27 VAL CG1 C 20.965 0.2 1 207 31 27 VAL CG2 C 22.875 0.2 1 208 31 27 VAL N N 122.275 0.1 1 209 32 28 SER H H 8.063 0.05 1 210 32 28 SER HA H 3.828 0.05 1 211 32 28 SER HB2 H 4.162 0.05 2 212 32 28 SER HB3 H 4.162 0.05 2 213 32 28 SER CA C 62.716 0.2 1 214 32 28 SER CB C 62.690 0.2 1 215 32 28 SER N N 116.961 0.1 1 216 33 29 TYR H H 8.466 0.05 1 217 33 29 TYR HA H 4.334 0.05 1 218 33 29 TYR HB2 H 3.214 0.05 2 219 33 29 TYR HB3 H 3.075 0.05 2 220 33 29 TYR HD1 H 6.930 0.05 3 221 33 29 TYR HE1 H 6.632 0.05 3 222 33 29 TYR CA C 60.162 0.2 1 223 33 29 TYR CB C 39.861 0.2 1 224 33 29 TYR CD1 C 131.970 0.2 3 225 33 29 TYR CE1 C 118.393 0.2 3 226 33 29 TYR N N 121.970 0.1 1 227 34 30 ALA H H 8.706 0.05 1 228 34 30 ALA HA H 4.070 0.05 1 229 34 30 ALA HB H 1.579 0.05 1 230 34 30 ALA N N 122.022 0.1 1 231 35 31 ALA H H 8.894 0.05 1 232 35 31 ALA HA H 4.104 0.05 1 233 35 31 ALA HB H 1.623 0.05 1 234 35 31 ALA CA C 54.873 0.2 1 235 35 31 ALA CB C 17.212 0.2 1 236 35 31 ALA N N 120.169 0.1 1 237 36 32 LEU H H 8.254 0.05 1 238 36 32 LEU HA H 3.858 0.05 1 239 36 32 LEU HB2 H 1.932 0.05 2 240 36 32 LEU HB3 H 1.788 0.05 2 241 36 32 LEU HD1 H 0.735 0.05 1 242 36 32 LEU HD2 H 0.686 0.05 1 243 36 32 LEU HG H 1.525 0.05 1 244 36 32 LEU CD1 C 24.929 0.2 1 245 36 32 LEU CD2 C 22.965 0.2 1 246 36 32 LEU CG C 26.719 0.2 1 247 36 32 LEU N N 120.956 0.1 1 248 37 33 LEU H H 8.736 0.05 1 249 37 33 LEU HA H 3.855 0.05 1 250 37 33 LEU HB2 H 1.818 0.05 2 251 37 33 LEU HB3 H 1.445 0.05 2 252 37 33 LEU HD1 H 0.691 0.05 1 253 37 33 LEU HD2 H 0.874 0.05 1 254 37 33 LEU HG H 1.714 0.05 1 255 37 33 LEU CB C 41.000 0.2 1 256 37 33 LEU CD1 C 25.234 0.2 1 257 37 33 LEU CD2 C 24.579 0.2 1 258 37 33 LEU N N 118.915 0.1 1 259 38 34 SER HA H 4.087 0.05 1 260 38 34 SER HB2 H 3.832 0.05 2 261 38 34 SER HB3 H 3.832 0.05 2 262 38 34 SER CA C 62.325 0.2 1 263 38 34 SER CB C 62.306 0.2 1 264 39 35 VAL H H 7.757 0.05 1 265 39 35 VAL HA H 3.666 0.05 1 266 39 35 VAL HB H 2.347 0.05 1 267 39 35 VAL HG1 H 0.785 0.05 1 268 39 35 VAL HG2 H 0.991 0.05 1 269 39 35 VAL CA C 65.865 0.2 1 270 39 35 VAL CB C 31.471 0.2 1 271 39 35 VAL CG1 C 21.118 0.2 1 272 39 35 VAL CG2 C 22.984 0.2 1 273 39 35 VAL N N 120.200 0.1 1 274 40 36 ILE H H 7.552 0.05 1 275 40 36 ILE HA H 3.431 0.05 1 276 40 36 ILE HB H 2.111 0.05 1 277 40 36 ILE HD1 H 0.685 0.05 1 278 40 36 ILE HG12 H 1.632 0.05 2 279 40 36 ILE HG13 H 1.083 0.05 2 280 40 36 ILE HG2 H 0.786 0.05 1 281 40 36 ILE CA C 65.055 0.2 1 282 40 36 ILE CB C 36.823 0.2 1 283 40 36 ILE CD1 C 11.955 0.2 1 284 40 36 ILE CG1 C 28.874 0.2 1 285 40 36 ILE CG2 C 17.148 0.2 1 286 40 36 ILE N N 119.331 0.1 1 287 41 37 VAL H H 8.412 0.05 1 288 41 37 VAL HA H 3.474 0.05 1 289 41 37 VAL HB H 2.176 0.05 1 290 41 37 VAL HG1 H 1.072 0.05 1 291 41 37 VAL HG2 H 0.965 0.05 1 292 41 37 VAL CA C 67.289 0.2 1 293 41 37 VAL CB C 31.253 0.2 1 294 41 37 VAL CG1 C 22.125 0.2 1 295 41 37 VAL CG2 C 20.666 0.2 1 296 41 37 VAL N N 116.095 0.1 1 297 42 38 VAL H H 7.543 0.05 1 298 42 38 VAL HA H 4.192 0.05 1 299 42 38 VAL HB H 2.248 0.05 1 300 42 38 VAL HG1 H 1.167 0.05 1 301 42 38 VAL HG2 H 1.124 0.05 1 302 42 38 VAL CA C 64.572 0.2 1 303 42 38 VAL CB C 31.360 0.2 1 304 42 38 VAL CG1 C 22.384 0.2 1 305 42 38 VAL CG2 C 22.849 0.2 1 306 42 38 VAL N N 123.550 0.1 1 307 43 39 VAL H H 7.868 0.05 1 308 43 39 VAL HA H 3.674 0.05 1 309 43 39 VAL HB H 2.270 0.05 1 310 43 39 VAL HG1 H 0.911 0.05 1 311 43 39 VAL HG2 H 0.995 0.05 1 312 43 39 VAL CB C 31.251 0.2 1 313 43 39 VAL CG1 C 21.750 0.2 1 314 43 39 VAL CG2 C 22.964 0.2 1 315 43 39 VAL N N 120.868 0.1 1 316 44 40 VAL H H 8.592 0.05 1 317 44 40 VAL HA H 3.478 0.05 1 318 44 40 VAL HB H 2.254 0.05 1 319 44 40 VAL HG1 H 0.877 0.05 1 320 44 40 VAL HG2 H 0.973 0.05 1 321 44 40 VAL CA C 67.219 0.2 1 322 44 40 VAL CB C 31.171 0.2 1 323 44 40 VAL CG1 C 22.173 0.2 1 324 44 40 VAL CG2 C 23.217 0.2 1 325 44 40 VAL N N 121.611 0.1 1 326 45 41 GLU H H 8.191 0.05 1 327 45 41 GLU HA H 3.662 0.05 1 328 45 41 GLU HB2 H 2.020 0.05 2 329 45 41 GLU HB3 H 2.020 0.05 2 330 45 41 GLU HG2 H 2.415 0.05 2 331 45 41 GLU HG3 H 2.151 0.05 2 332 45 41 GLU CA C 59.332 0.2 1 333 45 41 GLU N N 119.878 0.1 1 334 46 42 TYR H H 7.828 0.05 1 335 46 42 TYR HA H 4.340 0.05 1 336 46 42 TYR HB2 H 3.127 0.05 2 337 46 42 TYR HB3 H 3.127 0.05 2 338 46 42 TYR HD1 H 7.090 0.05 3 339 46 42 TYR HE1 H 6.729 0.05 3 340 46 42 TYR CA C 60.183 0.2 1 341 46 42 TYR CB C 39.764 0.2 1 342 46 42 TYR CD1 C 133.160 0.2 3 343 46 42 TYR CE1 C 118.567 0.2 3 344 46 42 TYR N N 114.467 0.1 1 345 47 43 THR H H 7.894 0.05 1 346 47 43 THR HA H 4.310 0.05 1 347 47 43 THR HB H 4.162 0.05 1 348 47 43 THR HG2 H 1.317 0.05 1 349 47 43 THR CA C 63.214 0.2 1 350 47 43 THR CB C 70.910 0.2 1 351 47 43 THR CG2 C 22.349 0.2 1 352 47 43 THR N N 106.644 0.1 1 353 48 44 MET H H 8.024 0.05 1 354 48 44 MET HA H 4.599 0.05 1 355 48 44 MET HB2 H 2.613 0.05 2 356 48 44 MET HB3 H 2.524 0.05 2 357 48 44 MET HE H 1.998 0.05 1 358 48 44 MET HG2 H 3.174 0.05 2 359 48 44 MET HG3 H 3.174 0.05 2 360 48 44 MET CA C 55.486 0.2 1 361 48 44 MET CB C 33.100 0.2 1 362 48 44 MET CE C 17.193 0.2 1 363 48 44 MET N N 119.317 0.1 1 364 49 45 GLN H H 8.321 0.05 1 365 49 45 GLN HA H 4.282 0.05 1 366 49 45 GLN HB2 H 2.052 0.05 2 367 49 45 GLN HB3 H 1.948 0.05 2 368 49 45 GLN HE21 H 7.434 0.05 2 369 49 45 GLN HE22 H 6.718 0.05 2 370 49 45 GLN HG2 H 2.245 0.05 2 371 49 45 GLN HG3 H 2.245 0.05 2 372 49 45 GLN CA C 55.425 0.2 1 373 49 45 GLN CB C 27.683 0.2 1 374 49 45 GLN CG C 33.864 0.2 1 375 49 45 GLN N N 120.159 0.1 1 376 49 45 GLN NE2 N 111.753 0.1 1 377 50 46 LEU H H 8.159 0.05 1 378 50 46 LEU HA H 4.428 0.05 1 379 50 46 LEU HB2 H 1.663 0.05 2 380 50 46 LEU HB3 H 1.302 0.05 2 381 50 46 LEU HD1 H 0.712 0.05 1 382 50 46 LEU HD2 H 0.746 0.05 1 383 50 46 LEU HG H 1.524 0.05 1 384 50 46 LEU CA C 54.094 0.2 1 385 50 46 LEU CB C 44.052 0.2 1 386 50 46 LEU CD1 C 26.226 0.2 1 387 50 46 LEU CD2 C 23.319 0.2 1 388 50 46 LEU N N 122.762 0.1 1 389 51 47 SER H H 8.223 0.05 1 390 51 47 SER HA H 4.535 0.05 1 391 51 47 SER HB2 H 4.084 0.05 2 392 51 47 SER HB3 H 3.915 0.05 2 393 51 47 SER CA C 56.932 0.2 1 394 51 47 SER CB C 64.939 0.2 1 395 51 47 SER N N 114.557 0.1 1 396 52 48 GLY H H 8.931 0.05 1 397 52 48 GLY HA2 H 4.023 0.05 2 398 52 48 GLY HA3 H 3.791 0.05 2 399 52 48 GLY CA C 47.431 0.2 1 400 52 48 GLY N N 109.287 0.1 1 401 53 49 GLU H H 8.952 0.05 1 402 53 49 GLU HA H 3.972 0.05 1 403 53 49 GLU HB2 H 1.949 0.05 2 404 53 49 GLU HB3 H 1.836 0.05 2 405 53 49 GLU HG2 H 2.058 0.05 2 406 53 49 GLU HG3 H 2.058 0.05 2 407 53 49 GLU CA C 59.220 0.2 1 408 53 49 GLU CB C 29.220 0.2 1 409 53 49 GLU CG C 36.044 0.2 1 410 53 49 GLU N N 121.710 0.1 1 411 54 50 TYR H H 7.786 0.05 1 412 54 50 TYR HA H 4.225 0.05 1 413 54 50 TYR HB2 H 3.159 0.05 2 414 54 50 TYR HB3 H 2.952 0.05 2 415 54 50 TYR HD1 H 7.072 0.05 3 416 54 50 TYR HE1 H 6.816 0.05 3 417 54 50 TYR CA C 60.512 0.2 1 418 54 50 TYR CB C 37.866 0.2 1 419 54 50 TYR CD1 C 132.417 0.2 3 420 54 50 TYR CE1 C 119.009 0.2 3 421 54 50 TYR N N 118.283 0.1 1 422 55 51 LEU H H 7.838 0.05 1 423 55 51 LEU HA H 3.794 0.05 1 424 55 51 LEU HB2 H 1.644 0.05 2 425 55 51 LEU HB3 H 1.436 0.05 2 426 55 51 LEU HD1 H 0.768 0.05 1 427 55 51 LEU HD2 H 0.898 0.05 1 428 55 51 LEU HG H 1.390 0.05 1 429 55 51 LEU CA C 57.444 0.2 1 430 55 51 LEU CD1 C 23.790 0.2 1 431 55 51 LEU CD2 C 24.384 0.2 1 432 55 51 LEU CG C 26.598 0.2 1 433 55 51 LEU N N 121.296 0.1 1 434 56 52 VAL H H 7.817 0.05 1 435 56 52 VAL HA H 3.600 0.05 1 436 56 52 VAL HB H 2.184 0.05 1 437 56 52 VAL HG1 H 0.968 0.05 1 438 56 52 VAL HG2 H 1.100 0.05 1 439 56 52 VAL CA C 67.453 0.2 1 440 56 52 VAL CB C 31.229 0.2 1 441 56 52 VAL CG1 C 21.475 0.2 1 442 56 52 VAL CG2 C 23.097 0.2 1 443 56 52 VAL N N 116.403 0.1 1 444 57 53 ARG H H 7.519 0.05 1 445 57 53 ARG HA H 3.868 0.05 1 446 57 53 ARG HB2 H 2.002 0.05 2 447 57 53 ARG HB3 H 1.559 0.05 2 448 57 53 ARG HD2 H 3.115 0.05 2 449 57 53 ARG HD3 H 2.957 0.05 2 450 57 53 ARG HG2 H 1.769 0.05 2 451 57 53 ARG HG3 H 1.769 0.05 2 452 57 53 ARG CA C 60.152 0.2 1 453 57 53 ARG CB C 28.718 0.2 1 454 57 53 ARG CD C 43.681 0.2 1 455 57 53 ARG N N 116.562 0.1 1 456 58 54 LEU H H 8.022 0.05 1 457 58 54 LEU HA H 3.798 0.05 1 458 58 54 LEU HB2 H 1.871 0.05 2 459 58 54 LEU HB3 H 1.871 0.05 2 460 58 54 LEU HD1 H 0.848 0.05 1 461 58 54 LEU HD2 H 0.625 0.05 1 462 58 54 LEU HG H 1.429 0.05 1 463 58 54 LEU CA C 58.727 0.2 1 464 58 54 LEU CD1 C 24.863 0.2 1 465 58 54 LEU CD2 C 24.801 0.2 1 466 58 54 LEU CG C 26.613 0.2 1 467 58 54 LEU N N 120.281 0.1 1 468 59 55 TYR H H 8.376 0.05 1 469 59 55 TYR HA H 4.650 0.05 1 470 59 55 TYR HB2 H 3.133 0.05 2 471 59 55 TYR HB3 H 2.979 0.05 2 472 59 55 TYR HD1 H 6.796 0.05 3 473 59 55 TYR HE1 H 6.525 0.05 3 474 59 55 TYR CA C 58.500 0.2 1 475 59 55 TYR CD1 C 131.451 0.2 3 476 59 55 TYR CE1 C 118.085 0.2 3 477 59 55 TYR N N 116.514 0.1 1 478 60 56 LEU H H 8.478 0.05 1 479 60 56 LEU HA H 4.283 0.05 1 480 60 56 LEU HB2 H 1.980 0.05 2 481 60 56 LEU HB3 H 1.627 0.05 2 482 60 56 LEU HD1 H 0.869 0.05 1 483 60 56 LEU HD2 H 0.857 0.05 1 484 60 56 LEU HG H 1.899 0.05 1 485 60 56 LEU CA C 57.825 0.2 1 486 60 56 LEU CB C 41.499 0.2 1 487 60 56 LEU CD1 C 25.047 0.2 1 488 60 56 LEU CD2 C 23.564 0.2 1 489 60 56 LEU CG C 26.922 0.2 1 490 60 56 LEU N N 123.375 0.1 1 491 61 57 VAL H H 8.227 0.05 1 492 61 57 VAL HA H 3.511 0.05 1 493 61 57 VAL HB H 2.318 0.05 1 494 61 57 VAL HG1 H 0.865 0.05 1 495 61 57 VAL HG2 H 1.031 0.05 1 496 61 57 VAL CA C 67.226 0.2 1 497 61 57 VAL CB C 31.022 0.2 1 498 61 57 VAL CG1 C 20.992 0.2 1 499 61 57 VAL CG2 C 23.551 0.2 1 500 61 57 VAL N N 119.547 0.1 1 501 62 58 ASP H H 8.509 0.05 1 502 62 58 ASP HA H 4.269 0.05 1 503 62 58 ASP HB2 H 2.876 0.05 2 504 62 58 ASP HB3 H 2.746 0.05 2 505 62 58 ASP CA C 58.114 0.2 1 506 62 58 ASP CB C 41.052 0.2 1 507 62 58 ASP N N 117.960 0.1 1 508 63 59 LEU H H 7.771 0.05 1 509 63 59 LEU HA H 4.039 0.05 1 510 63 59 LEU HB2 H 2.195 0.05 2 511 63 59 LEU HB3 H 1.736 0.05 2 512 63 59 LEU HD1 H 0.862 0.05 1 513 63 59 LEU HD2 H 0.842 0.05 1 514 63 59 LEU HG H 1.646 0.05 1 515 63 59 LEU CB C 41.755 0.2 1 516 63 59 LEU CD1 C 24.053 0.2 1 517 63 59 LEU CD2 C 25.741 0.2 1 518 63 59 LEU N N 117.155 0.1 1 519 64 60 ILE H H 7.733 0.05 1 520 64 60 ILE HA H 3.551 0.05 1 521 64 60 ILE HB H 2.088 0.05 1 522 64 60 ILE HD1 H 0.771 0.05 1 523 64 60 ILE HG12 H 1.758 0.05 2 524 64 60 ILE HG13 H 1.183 0.05 2 525 64 60 ILE HG2 H 0.833 0.05 1 526 64 60 ILE CA C 64.980 0.2 1 527 64 60 ILE CB C 36.949 0.2 1 528 64 60 ILE CD1 C 12.530 0.2 1 529 64 60 ILE CG1 C 28.974 0.2 1 530 64 60 ILE CG2 C 17.053 0.2 1 531 64 60 ILE N N 117.203 0.1 1 532 65 61 LEU H H 8.066 0.05 1 533 65 61 LEU HA H 3.974 0.05 1 534 65 61 LEU HB2 H 2.238 0.05 2 535 65 61 LEU HB3 H 2.153 0.05 2 536 65 61 LEU HD1 H 0.883 0.05 1 537 65 61 LEU HD2 H 0.842 0.05 1 538 65 61 LEU HG H 1.263 0.05 1 539 65 61 LEU CD1 C 24.913 0.2 1 540 65 61 LEU CD2 C 22.049 0.2 1 541 65 61 LEU N N 117.168 0.1 1 542 66 62 VAL H H 8.762 0.05 1 543 66 62 VAL HA H 3.701 0.05 1 544 66 62 VAL HB H 2.285 0.05 1 545 66 62 VAL HG1 H 0.822 0.05 1 546 66 62 VAL HG2 H 0.987 0.05 1 547 66 62 VAL CA C 66.270 0.2 1 548 66 62 VAL CB C 31.249 0.2 1 549 66 62 VAL CG1 C 22.601 0.2 1 550 66 62 VAL CG2 C 23.616 0.2 1 551 66 62 VAL N N 116.626 0.1 1 552 67 63 ILE H H 8.096 0.05 1 553 67 63 ILE HA H 3.537 0.05 1 554 67 63 ILE HB H 2.082 0.05 1 555 67 63 ILE HD1 H 0.671 0.05 1 556 67 63 ILE HG12 H 2.070 0.05 2 557 67 63 ILE HG13 H 1.799 0.05 2 558 67 63 ILE HG2 H 0.842 0.05 1 559 67 63 ILE CB C 36.807 0.2 1 560 67 63 ILE CD1 C 13.081 0.2 1 561 67 63 ILE CG2 C 17.007 0.2 1 562 67 63 ILE N N 121.594 0.1 1 563 68 64 ILE H H 7.565 0.05 1 564 68 64 ILE HA H 3.542 0.05 1 565 68 64 ILE HB H 2.237 0.05 1 566 68 64 ILE HD1 H 0.786 0.05 1 567 68 64 ILE HG12 H 1.936 0.05 2 568 68 64 ILE HG13 H 0.957 0.05 2 569 68 64 ILE HG2 H 0.819 0.05 1 570 68 64 ILE CA C 65.933 0.2 1 571 68 64 ILE CB C 37.147 0.2 1 572 68 64 ILE CD1 C 13.243 0.2 1 573 68 64 ILE CG1 C 29.042 0.2 1 574 68 64 ILE CG2 C 17.106 0.2 1 575 68 64 ILE N N 119.433 0.1 1 576 69 65 LEU H H 8.123 0.05 1 577 69 65 LEU HA H 4.189 0.05 1 578 69 65 LEU HB2 H 2.020 0.05 2 579 69 65 LEU HB3 H 2.020 0.05 2 580 69 65 LEU HD1 H 0.768 0.05 1 581 69 65 LEU HD2 H 0.844 0.05 1 582 69 65 LEU HG H 1.542 0.05 1 583 69 65 LEU CA C 58.629 0.2 1 584 69 65 LEU CD1 C 24.821 0.2 1 585 69 65 LEU CD2 C 22.187 0.2 1 586 69 65 LEU N N 118.166 0.1 1 587 70 66 TRP H H 9.686 0.05 1 588 70 66 TRP HA H 3.764 0.05 1 589 70 66 TRP HB2 H 3.189 0.05 2 590 70 66 TRP HB3 H 3.189 0.05 2 591 70 66 TRP HD1 H 7.145 0.05 1 592 70 66 TRP HE1 H 10.284 0.05 1 593 70 66 TRP HE3 H 7.497 0.05 1 594 70 66 TRP HH2 H 6.827 0.05 1 595 70 66 TRP HZ2 H 7.032 0.05 1 596 70 66 TRP HZ3 H 6.844 0.05 1 597 70 66 TRP CD1 C 126.270 0.2 1 598 70 66 TRP CE3 C 120.667 0.2 1 599 70 66 TRP CH2 C 123.512 0.2 1 600 70 66 TRP CZ2 C 114.223 0.2 1 601 70 66 TRP CZ3 C 121.518 0.2 1 602 70 66 TRP N N 123.968 0.1 1 603 70 66 TRP NE1 N 127.753 0.1 1 604 71 67 ALA H H 8.360 0.05 1 605 71 67 ALA HA H 4.013 0.05 1 606 71 67 ALA HB H 1.543 0.05 1 607 71 67 ALA CA C 55.672 0.2 1 608 71 67 ALA CB C 17.393 0.2 1 609 71 67 ALA N N 121.656 0.1 1 610 72 68 ASP H H 7.801 0.05 1 611 72 68 ASP HA H 4.435 0.05 1 612 72 68 ASP HB2 H 2.744 0.05 2 613 72 68 ASP HB3 H 2.744 0.05 2 614 72 68 ASP CA C 57.485 0.2 1 615 72 68 ASP CB C 41.129 0.2 1 616 72 68 ASP N N 116.132 0.1 1 617 73 69 TYR H H 8.316 0.05 1 618 73 69 TYR HA H 4.037 0.05 1 619 73 69 TYR HB2 H 3.165 0.05 2 620 73 69 TYR HB3 H 2.981 0.05 2 621 73 69 TYR HD1 H 6.904 0.05 3 622 73 69 TYR HE1 H 6.517 0.05 3 623 73 69 TYR CA C 62.361 0.2 1 624 73 69 TYR CD1 C 132.855 0.2 3 625 73 69 TYR CE1 C 117.738 0.2 3 626 73 69 TYR N N 120.661 0.1 1 627 74 70 ALA H H 9.183 0.05 1 628 74 70 ALA HA H 3.870 0.05 1 629 74 70 ALA HB H 1.503 0.05 1 630 74 70 ALA CA C 54.990 0.2 1 631 74 70 ALA CB C 18.290 0.2 1 632 74 70 ALA N N 118.700 0.1 1 633 75 71 TYR H H 8.403 0.05 1 634 75 71 TYR HA H 4.123 0.05 1 635 75 71 TYR HB2 H 3.274 0.05 2 636 75 71 TYR HB3 H 3.156 0.05 2 637 75 71 TYR HD1 H 7.041 0.05 3 638 75 71 TYR HE1 H 6.747 0.05 3 639 75 71 TYR CA C 62.104 0.2 1 640 75 71 TYR CD1 C 133.515 0.2 3 641 75 71 TYR CE1 C 118.575 0.2 3 642 75 71 TYR N N 117.909 0.1 1 643 76 72 ARG H H 8.204 0.05 1 644 76 72 ARG HA H 3.345 0.05 1 645 76 72 ARG HB2 H 1.781 0.05 2 646 76 72 ARG HB3 H 1.781 0.05 2 647 76 72 ARG HD2 H 3.163 0.05 2 648 76 72 ARG HD3 H 2.976 0.05 2 649 76 72 ARG HG2 H 1.466 0.05 2 650 76 72 ARG HG3 H 1.466 0.05 2 651 76 72 ARG N N 119.279 0.1 1 652 77 73 ALA H H 8.168 0.05 1 653 77 73 ALA HA H 2.925 0.05 1 654 77 73 ALA HB H 1.074 0.05 1 655 77 73 ALA CA C 54.391 0.2 1 656 77 73 ALA CB C 16.880 0.2 1 657 77 73 ALA N N 121.818 0.1 1 658 78 74 TYR H H 8.453 0.05 1 659 78 74 TYR HA H 3.919 0.05 1 660 78 74 TYR HB2 H 2.995 0.05 2 661 78 74 TYR HB3 H 2.943 0.05 2 662 78 74 TYR HD1 H 6.999 0.05 3 663 78 74 TYR HE1 H 6.885 0.05 3 664 78 74 TYR CA C 61.709 0.2 1 665 78 74 TYR CB C 38.009 0.2 1 666 78 74 TYR CD1 C 133.303 0.2 3 667 78 74 TYR CE1 C 119.586 0.2 3 668 78 74 TYR N N 119.929 0.1 1 669 79 75 LYS H H 8.648 0.05 1 670 79 75 LYS HA H 3.607 0.05 1 671 79 75 LYS HB2 H 1.381 0.05 2 672 79 75 LYS HB3 H 1.333 0.05 2 673 79 75 LYS HD2 H 1.444 0.05 2 674 79 75 LYS HD3 H 1.385 0.05 2 675 79 75 LYS HE2 H 2.853 0.05 2 676 79 75 LYS HE3 H 2.792 0.05 2 677 79 75 LYS HG2 H 1.112 0.05 2 678 79 75 LYS HG3 H 1.058 0.05 2 679 79 75 LYS CA C 57.422 0.2 1 680 79 75 LYS CB C 31.154 0.2 1 681 79 75 LYS CD C 28.482 0.2 1 682 79 75 LYS CE C 41.522 0.2 1 683 79 75 LYS CG C 24.223 0.2 1 684 79 75 LYS N N 121.450 0.1 1 685 80 76 SER H H 7.147 0.05 1 686 80 76 SER HA H 4.013 0.05 1 687 80 76 SER HB2 H 3.709 0.05 2 688 80 76 SER HB3 H 3.709 0.05 2 689 80 76 SER CA C 60.416 0.2 1 690 80 76 SER CB C 63.990 0.2 1 691 80 76 SER N N 113.299 0.1 1 692 81 77 GLY H H 7.327 0.05 1 693 81 77 GLY HA2 H 4.279 0.05 2 694 81 77 GLY HA3 H 3.695 0.05 2 695 81 77 GLY CA C 45.055 0.2 1 696 81 77 GLY N N 109.246 0.1 1 697 82 78 ASP H H 7.798 0.05 1 698 82 78 ASP HA H 4.854 0.05 1 699 82 78 ASP HB2 H 2.637 0.05 2 700 82 78 ASP HB3 H 2.637 0.05 2 701 82 78 ASP CA C 51.267 0.2 1 702 82 78 ASP CB C 40.349 0.2 1 703 82 78 ASP N N 116.273 0.1 1 704 83 79 PRO HA H 3.993 0.05 1 705 83 79 PRO HB2 H 1.817 0.05 2 706 83 79 PRO HB3 H 1.635 0.05 2 707 83 79 PRO HD2 H 3.885 0.05 2 708 83 79 PRO HD3 H 3.386 0.05 2 709 83 79 PRO HG2 H 2.064 0.05 2 710 83 79 PRO HG3 H 1.716 0.05 2 711 83 79 PRO CA C 65.411 0.2 1 712 83 79 PRO CB C 31.742 0.2 1 713 83 79 PRO CD C 49.719 0.2 1 714 83 79 PRO CG C 27.331 0.2 1 715 84 80 ALA H H 8.233 0.05 1 716 84 80 ALA HA H 4.002 0.05 1 717 84 80 ALA HB H 1.461 0.05 1 718 84 80 ALA CA C 55.234 0.2 1 719 84 80 ALA CB C 18.279 0.2 1 720 84 80 ALA N N 118.073 0.1 1 721 85 81 GLY H H 7.756 0.05 1 722 85 81 GLY HA2 H 3.857 0.05 2 723 85 81 GLY HA3 H 3.745 0.05 2 724 85 81 GLY CA C 46.891 0.2 1 725 85 81 GLY N N 106.529 0.1 1 726 86 82 TYR H H 8.662 0.05 1 727 86 82 TYR HA H 3.829 0.05 1 728 86 82 TYR HB2 H 3.203 0.05 2 729 86 82 TYR HB3 H 2.921 0.05 2 730 86 82 TYR HD1 H 6.653 0.05 3 731 86 82 TYR HE1 H 6.447 0.05 3 732 86 82 TYR CA C 62.257 0.2 1 733 86 82 TYR CB C 38.945 0.2 1 734 86 82 TYR CD1 C 132.876 0.2 3 735 86 82 TYR CE1 C 119.007 0.2 3 736 86 82 TYR N N 124.312 0.1 1 737 87 83 VAL H H 8.156 0.05 1 738 87 83 VAL HA H 3.730 0.05 1 739 87 83 VAL HB H 2.152 0.05 1 740 87 83 VAL HG1 H 0.927 0.05 1 741 87 83 VAL HG2 H 1.155 0.05 1 742 87 83 VAL CA C 65.059 0.2 1 743 87 83 VAL CB C 31.538 0.2 1 744 87 83 VAL CG1 C 21.179 0.2 1 745 87 83 VAL CG2 C 22.314 0.2 1 746 87 83 VAL N N 120.900 0.1 1 747 88 84 LYS H H 7.285 0.05 1 748 88 84 LYS HA H 3.799 0.05 1 749 88 84 LYS HB2 H 1.902 0.05 2 750 88 84 LYS HB3 H 1.902 0.05 2 751 88 84 LYS HD2 H 1.695 0.05 2 752 88 84 LYS HD3 H 1.695 0.05 2 753 88 84 LYS HE2 H 2.923 0.05 2 754 88 84 LYS HE3 H 2.923 0.05 2 755 88 84 LYS HG2 H 1.647 0.05 2 756 88 84 LYS HG3 H 1.427 0.05 2 757 88 84 LYS CA C 59.685 0.2 1 758 88 84 LYS CB C 32.208 0.2 1 759 88 84 LYS CD C 29.199 0.2 1 760 88 84 LYS CE C 41.752 0.2 1 761 88 84 LYS CG C 25.776 0.2 1 762 88 84 LYS N N 115.177 0.1 1 763 89 85 LYS H H 7.392 0.05 1 764 89 85 LYS HA H 4.315 0.05 1 765 89 85 LYS HB2 H 1.841 0.05 2 766 89 85 LYS HB3 H 1.805 0.05 2 767 89 85 LYS HD2 H 1.594 0.05 2 768 89 85 LYS HD3 H 1.594 0.05 2 769 89 85 LYS HE2 H 2.882 0.05 2 770 89 85 LYS HE3 H 2.882 0.05 2 771 89 85 LYS HG2 H 1.486 0.05 2 772 89 85 LYS HG3 H 1.455 0.05 2 773 89 85 LYS CA C 57.341 0.2 1 774 89 85 LYS CB C 33.122 0.2 1 775 89 85 LYS CD C 29.214 0.2 1 776 89 85 LYS CE C 41.753 0.2 1 777 89 85 LYS CG C 24.927 0.2 1 778 89 85 LYS N N 115.547 0.1 1 779 90 86 THR H H 7.571 0.05 1 780 90 86 THR HA H 4.308 0.05 1 781 90 86 THR HB H 4.545 0.05 1 782 90 86 THR HG2 H 0.602 0.05 1 783 90 86 THR CA C 60.356 0.2 1 784 90 86 THR CB C 68.343 0.2 1 785 90 86 THR CG2 C 20.517 0.2 1 786 90 86 THR N N 109.728 0.1 1 787 91 87 LEU H H 7.246 0.05 1 788 91 87 LEU HA H 3.927 0.05 1 789 91 87 LEU HB2 H 1.791 0.05 2 790 91 87 LEU HB3 H 1.414 0.05 2 791 91 87 LEU HD1 H 0.840 0.05 1 792 91 87 LEU HD2 H 0.905 0.05 1 793 91 87 LEU HG H 1.959 0.05 1 794 91 87 LEU CA C 57.900 0.2 1 795 91 87 LEU CB C 42.492 0.2 1 796 91 87 LEU CD1 C 27.300 0.2 1 797 91 87 LEU CD2 C 25.341 0.2 1 798 91 87 LEU CG C 26.377 0.2 1 799 91 87 LEU N N 122.110 0.1 1 800 92 88 TYR H H 7.269 0.05 1 801 92 88 TYR HA H 4.116 0.05 1 802 92 88 TYR HB2 H 3.137 0.05 1 803 92 88 TYR HB3 H 2.891 0.05 1 804 92 88 TYR HD1 H 7.024 0.05 3 805 92 88 TYR HD2 H 7.024 0.05 3 806 92 88 TYR HE1 H 6.751 0.05 3 807 92 88 TYR HE2 H 6.751 0.05 3 808 92 88 TYR CA C 57.936 0.2 1 809 92 88 TYR CB C 37.039 0.2 1 810 92 88 TYR CD1 C 133.382 0.2 3 811 92 88 TYR CD2 C 133.382 0.2 3 812 92 88 TYR CE1 C 118.549 0.2 3 813 92 88 TYR CE2 C 118.549 0.2 3 814 92 88 TYR N N 110.498 0.1 1 815 93 89 GLU H H 7.901 0.05 1 816 93 89 GLU HA H 4.020 0.05 1 817 93 89 GLU HB2 H 1.889 0.05 2 818 93 89 GLU HB3 H 1.889 0.05 2 819 93 89 GLU HG2 H 1.996 0.05 2 820 93 89 GLU HG3 H 1.996 0.05 2 821 93 89 GLU CA C 58.062 0.2 1 822 93 89 GLU CB C 30.726 0.2 1 823 93 89 GLU CG C 38.220 0.2 1 824 93 89 GLU N N 119.929 0.1 1 825 94 90 ILE H H 7.336 0.05 1 826 94 90 ILE HA H 3.466 0.05 1 827 94 90 ILE HB H 2.082 0.05 1 828 94 90 ILE HD1 H 0.725 0.05 1 829 94 90 ILE HG12 H 1.490 0.05 2 830 94 90 ILE HG13 H 1.173 0.05 2 831 94 90 ILE HG2 H 0.695 0.05 1 832 94 90 ILE CA C 64.941 0.2 1 833 94 90 ILE CB C 34.398 0.2 1 834 94 90 ILE CD1 C 11.693 0.2 1 835 94 90 ILE CG1 C 28.893 0.2 1 836 94 90 ILE CG2 C 17.263 0.2 1 837 94 90 ILE N N 117.084 0.1 1 838 95 91 PRO HA H 3.981 0.05 1 839 95 91 PRO HB2 H 1.986 0.05 2 840 95 91 PRO HB3 H 1.909 0.05 2 841 95 91 PRO HD2 H 3.762 0.05 2 842 95 91 PRO HD3 H 3.600 0.05 2 843 95 91 PRO HG2 H 1.684 0.05 2 844 95 91 PRO HG3 H 1.558 0.05 2 845 95 91 PRO CA C 65.715 0.2 1 846 96 92 ALA H H 7.117 0.05 1 847 96 92 ALA HA H 4.009 0.05 1 848 96 92 ALA HB H 1.332 0.05 1 849 96 92 ALA CA C 53.963 0.2 1 850 96 92 ALA CB C 19.616 0.2 1 851 96 92 ALA N N 112.345 0.1 1 852 97 93 LEU H H 7.595 0.05 1 853 97 93 LEU HA H 3.989 0.05 1 854 97 93 LEU HB2 H 1.545 0.05 2 855 97 93 LEU HB3 H 1.545 0.05 2 856 97 93 LEU HD1 H -0.215 0.05 1 857 97 93 LEU HD2 H 0.343 0.05 1 858 97 93 LEU HG H 1.472 0.05 1 859 97 93 LEU CA C 53.785 0.2 1 860 97 93 LEU CD1 C 24.492 0.2 1 861 97 93 LEU CD2 C 22.548 0.2 1 862 97 93 LEU CG C 25.352 0.2 1 863 97 93 LEU N N 112.920 0.1 1 864 98 94 VAL H H 7.108 0.05 1 865 98 94 VAL HA H 4.122 0.05 1 866 98 94 VAL HB H 2.154 0.05 1 867 98 94 VAL HG1 H 0.849 0.05 1 868 98 94 VAL HG2 H 0.934 0.05 1 869 98 94 VAL CB C 32.948 0.2 1 870 98 94 VAL CG1 C 20.951 0.2 1 871 98 94 VAL CG2 C 22.110 0.2 1 872 98 94 VAL N N 119.307 0.1 1 873 99 95 PRO HA H 4.534 0.05 1 874 99 95 PRO HD2 H 4.392 0.05 2 875 99 95 PRO HD3 H 3.518 0.05 2 876 99 95 PRO HG2 H 1.919 0.05 2 877 99 95 PRO HG3 H 1.919 0.05 2 878 99 95 PRO CA C 62.022 0.2 1 879 99 95 PRO CD C 50.296 0.2 1 880 99 95 PRO CG C 27.726 0.2 1 881 100 96 ALA H H 9.957 0.05 1 882 100 96 ALA HA H 3.836 0.05 1 883 100 96 ALA HB H 1.461 0.05 1 884 100 96 ALA CA C 54.963 0.2 1 885 100 96 ALA CB C 17.247 0.2 1 886 100 96 ALA N N 132.320 0.1 1 887 101 97 GLY H H 9.610 0.05 1 888 101 97 GLY HA2 H 2.824 0.05 2 889 101 97 GLY HA3 H 2.505 0.05 2 890 101 97 GLY CA C 45.283 0.2 1 891 101 97 GLY N N 104.737 0.1 1 892 102 98 LEU H H 7.130 0.05 1 893 102 98 LEU HA H 4.062 0.05 1 894 102 98 LEU HB2 H 1.912 0.05 2 895 102 98 LEU HB3 H 1.324 0.05 2 896 102 98 LEU HD1 H 0.887 0.05 2 897 102 98 LEU HG H 1.554 0.05 1 898 102 98 LEU CA C 57.266 0.2 1 899 102 98 LEU CB C 42.155 0.2 1 900 102 98 LEU CD1 C 23.661 0.2 2 901 102 98 LEU N N 118.145 0.1 1 902 103 99 LEU H H 6.888 0.05 1 903 103 99 LEU HA H 3.891 0.05 1 904 103 99 LEU HB2 H 1.907 0.05 2 905 103 99 LEU HB3 H 1.518 0.05 2 906 103 99 LEU HD1 H 0.891 0.05 1 907 103 99 LEU HD2 H 0.771 0.05 1 908 103 99 LEU HG H 1.647 0.05 1 909 103 99 LEU CB C 40.077 0.2 1 910 103 99 LEU CD2 C 22.816 0.2 1 911 103 99 LEU N N 116.535 0.1 1 912 104 100 ALA H H 7.639 0.05 1 913 104 100 ALA HA H 4.077 0.05 1 914 104 100 ALA HB H 1.317 0.05 1 915 104 100 ALA CA C 55.018 0.2 1 916 104 100 ALA CB C 18.164 0.2 1 917 104 100 ALA N N 120.175 0.1 1 918 105 101 LEU H H 7.653 0.05 1 919 105 101 LEU HA H 4.130 0.05 1 920 105 101 LEU HB2 H 1.881 0.05 2 921 105 101 LEU HB3 H 1.707 0.05 2 922 105 101 LEU HD2 H 0.866 0.05 2 923 105 101 LEU HG H 1.771 0.05 1 924 105 101 LEU CD2 C 24.633 0.2 2 925 105 101 LEU N N 118.928 0.1 1 926 106 102 ILE H H 7.837 0.05 1 927 106 102 ILE HA H 3.688 0.05 1 928 106 102 ILE HB H 1.911 0.05 1 929 106 102 ILE HD1 H 0.746 0.05 1 930 106 102 ILE HG12 H 1.558 0.05 2 931 106 102 ILE HG13 H 1.281 0.05 2 932 106 102 ILE HG2 H 0.895 0.05 1 933 106 102 ILE CA C 65.197 0.2 1 934 106 102 ILE CB C 37.847 0.2 1 935 106 102 ILE CD1 C 13.261 0.2 1 936 106 102 ILE CG2 C 17.812 0.2 1 937 106 102 ILE N N 118.276 0.1 1 938 107 103 GLU H H 8.706 0.05 1 939 107 103 GLU HA H 3.697 0.05 1 940 107 103 GLU HB2 H 2.269 0.05 2 941 107 103 GLU HB3 H 2.097 0.05 2 942 107 103 GLU HG2 H 2.266 0.05 2 943 107 103 GLU HG3 H 2.266 0.05 2 944 107 103 GLU CA C 60.601 0.2 1 945 107 103 GLU CB C 29.570 0.2 1 946 107 103 GLU CG C 36.953 0.2 1 947 107 103 GLU N N 120.513 0.1 1 948 108 104 GLY H H 8.193 0.05 1 949 108 104 GLY HA2 H 3.978 0.05 2 950 108 104 GLY HA3 H 3.978 0.05 2 951 108 104 GLY N N 104.427 0.1 1 952 109 105 HIS H H 7.945 0.05 1 953 109 105 HIS HA H 4.436 0.05 1 954 109 105 HIS HB2 H 3.225 0.05 2 955 109 105 HIS HB3 H 3.101 0.05 2 956 109 105 HIS HD2 H 7.157 0.05 1 957 109 105 HIS HE1 H 7.701 0.05 1 958 109 105 HIS CA C 59.331 0.2 1 959 109 105 HIS CB C 31.136 0.2 1 960 109 105 HIS CD2 C 119.317 0.2 1 961 109 105 HIS CE1 C 139.664 0.2 1 962 109 105 HIS N N 122.340 0.1 1 963 110 106 LEU H H 8.377 0.05 1 964 110 106 LEU HA H 3.897 0.05 1 965 110 106 LEU HB2 H 2.074 0.05 2 966 110 106 LEU HB3 H 1.917 0.05 2 967 110 106 LEU HD1 H 0.803 0.05 1 968 110 106 LEU HD2 H 0.888 0.05 1 969 110 106 LEU HG H 1.376 0.05 1 970 110 106 LEU CD1 C 26.630 0.2 1 971 110 106 LEU CD2 C 23.032 0.2 1 972 110 106 LEU N N 117.930 0.1 1 973 111 107 ALA H H 8.631 0.05 1 974 111 107 ALA HA H 3.666 0.05 1 975 111 107 ALA HB H 1.549 0.05 1 976 111 107 ALA CA C 54.986 0.2 1 977 111 107 ALA CB C 17.799 0.2 1 978 111 107 ALA N N 122.293 0.1 1 979 112 108 GLY H H 7.941 0.05 1 980 112 108 GLY HA2 H 4.021 0.05 2 981 112 108 GLY HA3 H 3.893 0.05 2 982 112 108 GLY CA C 46.138 0.2 1 983 112 108 GLY N N 107.234 0.1 1 984 113 109 LEU H H 7.188 0.05 1 985 113 109 LEU HA H 4.314 0.05 1 986 113 109 LEU HB2 H 1.680 0.05 2 987 113 109 LEU HB3 H 1.680 0.05 2 988 113 109 LEU HD1 H 0.724 0.05 1 989 113 109 LEU HD2 H 0.822 0.05 1 990 113 109 LEU HG H 1.552 0.05 1 991 113 109 LEU CA C 54.577 0.2 1 992 113 109 LEU CD1 C 25.592 0.2 1 993 113 109 LEU CD2 C 22.399 0.2 1 994 113 109 LEU N N 118.851 0.1 1 995 114 110 GLY H H 7.795 0.05 1 996 114 110 GLY HA2 H 4.018 0.05 2 997 114 110 GLY HA3 H 3.440 0.05 2 998 114 110 GLY CA C 45.145 0.2 1 999 114 110 GLY N N 107.337 0.1 1 1000 115 111 LEU H H 7.596 0.05 1 1001 115 111 LEU HA H 4.685 0.05 1 1002 115 111 LEU HB2 H 1.688 0.05 2 1003 115 111 LEU HB3 H 1.688 0.05 2 1004 115 111 LEU HD1 H 0.912 0.05 1 1005 115 111 LEU HD2 H 0.832 0.05 1 1006 115 111 LEU HG H 1.514 0.05 1 1007 115 111 LEU CD1 C 26.463 0.2 1 1008 115 111 LEU CD2 C 22.777 0.2 1 1009 115 111 LEU CG C 26.036 0.2 1 1010 115 111 LEU N N 122.290 0.1 1 1011 116 112 PHE H H 7.626 0.05 1 1012 116 112 PHE HA H 4.110 0.05 1 1013 116 112 PHE HB2 H 3.262 0.05 2 1014 116 112 PHE HB3 H 3.053 0.05 2 1015 116 112 PHE HD1 H 7.247 0.05 3 1016 116 112 PHE HD2 H 7.247 0.05 3 1017 116 112 PHE HE1 H 7.465 0.05 3 1018 116 112 PHE HE2 H 7.465 0.05 3 1019 116 112 PHE HZ H 7.406 0.05 1 1020 116 112 PHE CA C 61.436 0.2 1 1021 116 112 PHE CB C 38.464 0.2 1 1022 116 112 PHE CD1 C 131.921 0.2 3 1023 116 112 PHE CD2 C 131.921 0.2 3 1024 116 112 PHE CE1 C 132.306 0.2 3 1025 116 112 PHE CE2 C 132.306 0.2 3 1026 116 112 PHE CZ C 131.005 0.2 1 1027 116 112 PHE N N 119.755 0.1 1 1028 117 113 ARG HA H 4.112 0.05 1 1029 117 113 ARG HD2 H 3.203 0.05 2 1030 117 113 ARG HD3 H 3.203 0.05 2 1031 117 113 ARG HG2 H 1.579 0.05 4 1032 117 113 ARG HG3 H 1.579 0.05 4 1033 117 113 ARG CA C 59.548 0.2 1 1034 118 114 LEU H H 7.360 0.05 1 1035 118 114 LEU HA H 4.184 0.05 1 1036 118 114 LEU HB2 H 1.979 0.05 2 1037 118 114 LEU HB3 H 1.569 0.05 2 1038 118 114 LEU HD1 H 0.991 0.05 1 1039 118 114 LEU HD2 H 0.888 0.05 1 1040 118 114 LEU HG H 1.749 0.05 1 1041 118 114 LEU CD1 C 25.524 0.2 1 1042 118 114 LEU CD2 C 23.523 0.2 1 1043 118 114 LEU N N 117.290 0.1 1 1044 119 115 VAL H H 7.837 0.05 1 1045 119 115 VAL HA H 3.479 0.05 1 1046 119 115 VAL HB H 2.311 0.05 1 1047 119 115 VAL HG1 H 0.995 0.05 1 1048 119 115 VAL HG2 H 0.987 0.05 1 1049 119 115 VAL CB C 31.236 0.2 1 1050 119 115 VAL CG1 C 21.293 0.2 1 1051 119 115 VAL CG2 C 23.629 0.2 1 1052 119 115 VAL N N 119.991 0.1 1 1053 120 116 ARG H H 7.735 0.05 1 1054 120 116 ARG HA H 3.935 0.05 1 1055 120 116 ARG HB2 H 1.992 0.05 2 1056 120 116 ARG HB3 H 1.872 0.05 2 1057 120 116 ARG HD2 H 3.197 0.05 2 1058 120 116 ARG HD3 H 3.197 0.05 2 1059 120 116 ARG HG2 H 1.842 0.05 2 1060 120 116 ARG HG3 H 1.631 0.05 2 1061 120 116 ARG CA C 59.546 0.2 1 1062 120 116 ARG CB C 29.686 0.2 1 1063 120 116 ARG CD C 43.308 0.2 1 1064 120 116 ARG CG C 27.681 0.2 1 1065 120 116 ARG N N 117.815 0.1 1 1066 121 117 LEU H H 7.485 0.05 1 1067 121 117 LEU HA H 4.171 0.05 1 1068 121 117 LEU HB2 H 1.970 0.05 2 1069 121 117 LEU HB3 H 1.788 0.05 2 1070 121 117 LEU HD1 H 0.976 0.05 1 1071 121 117 LEU HD2 H 0.901 0.05 1 1072 121 117 LEU HG H 1.760 0.05 1 1073 121 117 LEU CA C 57.957 0.2 1 1074 121 117 LEU CB C 41.532 0.2 1 1075 121 117 LEU CD1 C 24.296 0.2 1 1076 121 117 LEU CD2 C 24.869 0.2 1 1077 121 117 LEU CG C 27.244 0.2 1 1078 121 117 LEU N N 118.372 0.1 1 1079 122 118 LEU H H 8.114 0.05 1 1080 122 118 LEU HA H 3.985 0.05 1 1081 122 118 LEU HB2 H 2.042 0.05 2 1082 122 118 LEU HB3 H 1.798 0.05 2 1083 122 118 LEU HD1 H 0.933 0.05 1 1084 122 118 LEU HD2 H 0.856 0.05 1 1085 122 118 LEU HG H 1.832 0.05 1 1086 122 118 LEU CA C 57.444 0.2 1 1087 122 118 LEU CB C 40.708 0.2 1 1088 122 118 LEU CD1 C 25.454 0.2 1 1089 122 118 LEU CD2 C 23.289 0.2 1 1090 122 118 LEU CG C 28.116 0.2 1 1091 122 118 LEU N N 120.724 0.1 1 1092 123 119 ARG H H 8.319 0.05 1 1093 123 119 ARG HA H 3.858 0.05 1 1094 123 119 ARG HB2 H 1.965 0.05 4 1095 123 119 ARG HB3 H 1.965 0.05 4 1096 123 119 ARG HD2 H 3.350 0.05 2 1097 123 119 ARG HD3 H 3.184 0.05 2 1098 123 119 ARG HG2 H 2.021 0.05 4 1099 123 119 ARG HG3 H 2.021 0.05 4 1100 123 119 ARG CA C 59.935 0.2 1 1101 123 119 ARG N N 119.190 0.1 1 1102 124 120 PHE H H 8.044 0.05 1 1103 124 120 PHE HA H 4.370 0.05 1 1104 124 120 PHE HB2 H 3.312 0.05 2 1105 124 120 PHE HB3 H 3.312 0.05 2 1106 124 120 PHE HD1 H 7.148 0.05 3 1107 124 120 PHE HD2 H 7.148 0.05 3 1108 124 120 PHE HE1 H 7.092 0.05 3 1109 124 120 PHE HE2 H 7.092 0.05 3 1110 124 120 PHE CA C 60.544 0.2 1 1111 124 120 PHE CB C 38.583 0.2 1 1112 124 120 PHE CD1 C 132.046 0.2 3 1113 124 120 PHE CD2 C 132.046 0.2 3 1114 124 120 PHE CE1 C 131.166 0.2 3 1115 124 120 PHE CE2 C 131.166 0.2 3 1116 124 120 PHE N N 119.309 0.1 1 1117 125 121 LEU H H 8.367 0.05 1 1118 125 121 LEU HA H 3.861 0.05 1 1119 125 121 LEU HB2 H 2.027 0.05 2 1120 125 121 LEU HB3 H 1.639 0.05 2 1121 125 121 LEU HD1 H 0.885 0.05 1 1122 125 121 LEU HD2 H 0.856 0.05 1 1123 125 121 LEU HG H 1.624 0.05 1 1124 125 121 LEU CB C 41.394 0.2 1 1125 125 121 LEU CD1 C 24.349 0.2 1 1126 125 121 LEU CD2 C 25.869 0.2 1 1127 125 121 LEU N N 118.304 0.1 1 1128 126 122 ARG H H 8.122 0.05 1 1129 126 122 ARG HA H 3.888 0.05 1 1130 126 122 ARG HB2 H 1.877 0.05 4 1131 126 122 ARG HB3 H 1.877 0.05 4 1132 126 122 ARG HD2 H 3.204 0.05 2 1133 126 122 ARG HD3 H 3.204 0.05 2 1134 126 122 ARG N N 118.229 0.1 1 1135 127 123 ILE H H 7.743 0.05 1 1136 127 123 ILE HA H 3.587 0.05 1 1137 127 123 ILE HB H 1.980 0.05 1 1138 127 123 ILE HD1 H 0.765 0.05 1 1139 127 123 ILE HG12 H 1.677 0.05 2 1140 127 123 ILE HG13 H 1.064 0.05 2 1141 127 123 ILE HG2 H 0.885 0.05 1 1142 127 123 ILE CA C 64.505 0.2 1 1143 127 123 ILE CB C 36.818 0.2 1 1144 127 123 ILE CD1 C 12.685 0.2 1 1145 127 123 ILE CG1 C 28.967 0.2 1 1146 127 123 ILE CG2 C 17.009 0.2 1 1147 127 123 ILE N N 118.121 0.1 1 1148 128 124 LEU H H 7.511 0.05 1 1149 128 124 LEU HA H 3.893 0.05 1 1150 128 124 LEU HD2 H 0.840 0.05 2 1151 128 124 LEU HG H 1.835 0.05 1 1152 128 124 LEU CD2 C 23.349 0.2 2 1153 128 124 LEU CG C 27.992 0.2 1 1154 128 124 LEU N N 118.388 0.1 1 1155 129 125 LEU H H 8.115 0.05 1 1156 129 125 LEU HA H 3.842 0.05 1 1157 129 125 LEU HB2 H 1.916 0.05 2 1158 129 125 LEU HB3 H 1.916 0.05 2 1159 129 125 LEU HD1 H 0.937 0.05 2 1160 129 125 LEU HG H 1.811 0.05 1 1161 129 125 LEU CD1 C 26.137 0.2 2 1162 129 125 LEU N N 120.876 0.1 1 1163 130 126 ILE H H 8.076 0.05 1 1164 130 126 ILE HA H 3.591 0.05 1 1165 130 126 ILE HB H 1.976 0.05 1 1166 130 126 ILE HD1 H 0.732 0.05 1 1167 130 126 ILE HG12 H 1.808 0.05 2 1168 130 126 ILE HG13 H 1.036 0.05 2 1169 130 126 ILE HG2 H 0.824 0.05 1 1170 130 126 ILE CB C 37.860 0.2 1 1171 130 126 ILE CD1 C 13.766 0.2 1 1172 130 126 ILE CG1 C 28.927 0.2 1 1173 130 126 ILE CG2 C 17.183 0.2 1 1174 130 126 ILE N N 119.344 0.1 1 1175 131 127 ILE H H 8.118 0.05 1 1176 131 127 ILE HA H 3.635 0.05 1 1177 131 127 ILE HB H 1.865 0.05 1 1178 131 127 ILE HD1 H 0.748 0.05 1 1179 131 127 ILE HG12 H 1.866 0.05 2 1180 131 127 ILE HG13 H 1.028 0.05 2 1181 131 127 ILE HG2 H 0.867 0.05 1 1182 131 127 ILE CA C 65.189 0.2 1 1183 131 127 ILE CB C 37.652 0.2 1 1184 131 127 ILE CD1 C 13.241 0.2 1 1185 131 127 ILE CG1 C 29.668 0.2 1 1186 131 127 ILE CG2 C 17.215 0.2 1 1187 131 127 ILE N N 119.310 0.1 1 1188 132 128 SER H H 8.611 0.05 1 1189 132 128 SER HA H 3.866 0.05 1 1190 132 128 SER HB2 H 4.167 0.05 2 1191 132 128 SER HB3 H 4.167 0.05 2 1192 132 128 SER CB C 62.023 0.2 1 1193 132 128 SER N N 115.713 0.1 1 1194 133 129 ARG H H 8.741 0.05 1 1195 133 129 ARG HA H 4.055 0.05 1 1196 133 129 ARG HB2 H 1.993 0.05 2 1197 133 129 ARG HB3 H 1.894 0.05 2 1198 133 129 ARG HD2 H 3.146 0.05 2 1199 133 129 ARG HD3 H 3.146 0.05 2 1200 133 129 ARG HG2 H 1.714 0.05 2 1201 133 129 ARG HG3 H 1.714 0.05 2 1202 133 129 ARG CB C 29.681 0.2 1 1203 133 129 ARG CD C 43.073 0.2 1 1204 133 129 ARG N N 120.374 0.1 1 1205 134 130 GLY H H 8.711 0.05 1 1206 134 130 GLY HA2 H 3.633 0.05 2 1207 134 130 GLY HA3 H 3.745 0.05 2 1208 134 130 GLY CA C 47.356 0.2 1 1209 134 130 GLY N N 107.293 0.1 1 1210 135 131 SER H H 8.552 0.05 1 1211 135 131 SER HA H 4.028 0.05 1 1212 135 131 SER HB2 H 4.191 0.05 2 1213 135 131 SER HB3 H 4.191 0.05 2 1214 135 131 SER CA C 62.727 0.2 1 1215 135 131 SER CB C 62.251 0.2 1 1216 135 131 SER N N 117.441 0.1 1 1217 136 132 LYS H H 8.097 0.05 1 1218 136 132 LYS HA H 4.023 0.05 1 1219 136 132 LYS HB2 H 1.988 0.05 2 1220 136 132 LYS HB3 H 1.988 0.05 2 1221 136 132 LYS HD2 H 1.763 0.05 2 1222 136 132 LYS HD3 H 1.667 0.05 2 1223 136 132 LYS HE2 H 2.860 0.05 2 1224 136 132 LYS HE3 H 2.860 0.05 2 1225 136 132 LYS HG2 H 1.552 0.05 2 1226 136 132 LYS HG3 H 1.468 0.05 2 1227 136 132 LYS CD C 28.340 0.2 1 1228 136 132 LYS CE C 41.692 0.2 1 1229 136 132 LYS CG C 24.167 0.2 1 1230 136 132 LYS N N 122.200 0.1 1 1231 137 133 PHE H H 7.990 0.05 1 1232 137 133 PHE HA H 4.344 0.05 1 1233 137 133 PHE HB2 H 3.303 0.05 2 1234 137 133 PHE HB3 H 3.149 0.05 2 1235 137 133 PHE HD1 H 7.316 0.05 3 1236 137 133 PHE HD2 H 7.316 0.05 3 1237 137 133 PHE HE1 H 7.104 0.05 3 1238 137 133 PHE HE2 H 7.104 0.05 3 1239 137 133 PHE HZ H 7.042 0.05 1 1240 137 133 PHE CA C 60.493 0.2 1 1241 137 133 PHE CD1 C 132.812 0.2 3 1242 137 133 PHE CD2 C 132.812 0.2 3 1243 137 133 PHE CE1 C 131.366 0.2 3 1244 137 133 PHE CE2 C 131.366 0.2 3 1245 137 133 PHE CZ C 129.419 0.2 1 1246 137 133 PHE N N 118.983 0.1 1 1247 138 134 LEU H H 7.930 0.05 1 1248 138 134 LEU HA H 3.637 0.05 1 1249 138 134 LEU HB2 H 1.900 0.05 2 1250 138 134 LEU HB3 H 1.467 0.05 2 1251 138 134 LEU HD1 H 0.886 0.05 1 1252 138 134 LEU HD2 H 0.811 0.05 1 1253 138 134 LEU HG H 1.631 0.05 1 1254 138 134 LEU CB C 41.392 0.2 1 1255 138 134 LEU CD1 C 25.472 0.2 1 1256 138 134 LEU CD2 C 23.111 0.2 1 1257 138 134 LEU N N 118.078 0.1 1 1258 139 135 SER H H 8.342 0.05 1 1259 139 135 SER HA H 4.104 0.05 1 1260 139 135 SER HB2 H 3.989 0.05 2 1261 139 135 SER HB3 H 3.950 0.05 2 1262 139 135 SER CA C 61.362 0.2 1 1263 139 135 SER CB C 62.785 0.2 1 1264 139 135 SER N N 113.914 0.1 1 1265 140 136 ALA H H 8.041 0.05 1 1266 140 136 ALA HA H 4.231 0.05 1 1267 140 136 ALA HB H 1.480 0.05 1 1268 140 136 ALA CA C 54.726 0.2 1 1269 140 136 ALA CB C 17.927 0.2 1 1270 140 136 ALA N N 124.117 0.1 1 1271 141 137 ILE H H 7.931 0.05 1 1272 141 137 ILE HA H 3.936 0.05 1 1273 141 137 ILE HB H 1.700 0.05 1 1274 141 137 ILE HD1 H 0.676 0.05 1 1275 141 137 ILE HG12 H 1.285 0.05 2 1276 141 137 ILE HG13 H 1.079 0.05 2 1277 141 137 ILE HG2 H 0.692 0.05 1 1278 141 137 ILE CA C 62.741 0.2 1 1279 141 137 ILE CB C 37.000 0.2 1 1280 141 137 ILE CD1 C 12.999 0.2 1 1281 141 137 ILE CG1 C 28.351 0.2 1 1282 141 137 ILE CG2 C 17.863 0.2 1 1283 141 137 ILE N N 116.868 0.1 1 1284 142 138 ALA H H 7.722 0.05 1 1285 142 138 ALA HA H 3.997 0.05 1 1286 142 138 ALA HB H 1.473 0.05 1 1287 142 138 ALA CA C 55.065 0.2 1 1288 142 138 ALA N N 123.760 0.1 1 1289 143 139 ASP H H 7.905 0.05 1 1290 143 139 ASP HA H 4.458 0.05 1 1291 143 139 ASP HB2 H 2.777 0.05 2 1292 143 139 ASP HB3 H 2.707 0.05 2 1293 143 139 ASP CA C 56.565 0.2 1 1294 143 139 ASP CB C 41.360 0.2 1 1295 143 139 ASP N N 117.944 0.1 1 1296 144 140 ALA H H 7.977 0.05 1 1297 144 140 ALA HA H 4.079 0.05 1 1298 144 140 ALA HB H 1.406 0.05 1 1299 144 140 ALA CA C 54.328 0.2 1 1300 144 140 ALA CB C 18.191 0.2 1 1301 144 140 ALA N N 121.103 0.1 1 1302 145 141 ALA H H 8.330 0.05 1 1303 145 141 ALA HA H 3.944 0.05 1 1304 145 141 ALA HB H 1.456 0.05 1 1305 145 141 ALA CA C 54.988 0.2 1 1306 145 141 ALA CB C 18.131 0.2 1 1307 145 141 ALA N N 119.350 0.1 1 1308 146 142 ASP H H 7.816 0.05 1 1309 146 142 ASP HA H 4.439 0.05 1 1310 146 142 ASP HB2 H 2.789 0.05 2 1311 146 142 ASP HB3 H 2.745 0.05 2 1312 146 142 ASP CA C 56.353 0.2 1 1313 146 142 ASP CB C 41.133 0.2 1 1314 146 142 ASP N N 116.321 0.1 1 1315 147 143 LYS H H 7.604 0.05 1 1316 147 143 LYS HA H 4.231 0.05 1 1317 147 143 LYS HB2 H 1.901 0.05 2 1318 147 143 LYS HB3 H 1.842 0.05 2 1319 147 143 LYS HD2 H 1.654 0.05 2 1320 147 143 LYS HD3 H 1.606 0.05 2 1321 147 143 LYS HE2 H 2.993 0.05 2 1322 147 143 LYS HE3 H 2.993 0.05 2 1323 147 143 LYS HG2 H 1.589 0.05 2 1324 147 143 LYS HG3 H 1.509 0.05 2 1325 147 143 LYS CA C 56.976 0.2 1 1326 147 143 LYS CB C 33.095 0.2 1 1327 147 143 LYS CD C 28.739 0.2 1 1328 147 143 LYS CE C 41.941 0.2 1 1329 147 143 LYS CG C 25.357 0.2 1 1330 147 143 LYS N N 116.140 0.1 1 1331 148 144 LEU H H 7.784 0.05 1 1332 148 144 LEU HA H 4.303 0.05 1 1333 148 144 LEU HB2 H 1.760 0.05 2 1334 148 144 LEU HB3 H 1.578 0.05 2 1335 148 144 LEU HD1 H 0.859 0.05 1 1336 148 144 LEU HD2 H 0.853 0.05 1 1337 148 144 LEU HG H 1.753 0.05 1 1338 148 144 LEU CA C 55.469 0.2 1 1339 148 144 LEU CB C 43.257 0.2 1 1340 148 144 LEU CD1 C 25.546 0.2 1 1341 148 144 LEU CD2 C 23.289 0.2 1 1342 148 144 LEU CG C 26.870 0.2 1 1343 148 144 LEU N N 118.599 0.1 1 1344 149 145 VAL H H 7.618 0.05 1 1345 149 145 VAL HA H 4.327 0.05 1 1346 149 145 VAL HB H 2.141 0.05 1 1347 149 145 VAL HG1 H 0.960 0.05 1 1348 149 145 VAL HG2 H 0.969 0.05 1 1349 149 145 VAL CA C 59.881 0.2 1 1350 149 145 VAL CB C 32.352 0.2 1 1351 149 145 VAL CG1 C 21.171 0.2 1 1352 149 145 VAL CG2 C 20.912 0.2 1 1353 149 145 VAL N N 119.279 0.1 1 1354 150 146 PRO HA H 4.426 0.05 1 1355 150 146 PRO HB2 H 2.256 0.05 2 1356 150 146 PRO HB3 H 1.944 0.05 2 1357 150 146 PRO HD2 H 3.849 0.05 2 1358 150 146 PRO HD3 H 3.638 0.05 2 1359 150 146 PRO HG2 H 2.060 0.05 2 1360 150 146 PRO HG3 H 1.947 0.05 2 1361 150 146 PRO CA C 63.255 0.2 1 1362 150 146 PRO CB C 31.723 0.2 1 1363 150 146 PRO CD C 50.816 0.2 1 1364 150 146 PRO CG C 27.376 0.2 1 1365 151 147 ARG H H 7.889 0.05 1 1366 151 147 ARG HA H 4.183 0.05 1 1367 151 147 ARG HB2 H 1.856 0.05 2 1368 151 147 ARG HB3 H 1.695 0.05 2 1369 151 147 ARG HD2 H 3.177 0.05 2 1370 151 147 ARG HD3 H 3.177 0.05 2 1371 151 147 ARG HG2 H 1.653 0.05 2 1372 151 147 ARG HG3 H 1.653 0.05 2 1373 151 147 ARG CA C 57.091 0.2 1 1374 151 147 ARG CB C 31.723 0.2 1 1375 151 147 ARG CD C 43.257 0.2 1 1376 151 147 ARG CG C 27.127 0.2 1 1377 151 147 ARG N N 126.873 0.1 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D HN(CO)' '2D H(N)CO' '2D HN(CA)' '2D H(N)CA' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_LGA $sample_ILV $sample_Arg stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'voltage-sensor domain of KvAP' _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 7 3 GLY CA C 45.261 0.2 1 2 8 4 LEU H H 8.477 0.05 1 3 8 4 LEU N N 121.911 0.1 1 4 11 7 LEU H H 8.002 0.05 1 5 11 7 LEU C C 176.657 0.2 1 6 11 7 LEU CA C 56.060 0.2 1 7 11 7 LEU N N 121.132 0.1 1 8 14 10 ARG H H 7.943 0.05 1 9 14 10 ARG CA C 56.331 0.2 1 10 14 10 ARG N N 119.926 0.1 1 11 15 11 VAL H H 7.936 0.05 1 12 15 11 VAL N N 119.196 0.1 1 13 16 12 ARG H H 8.571 0.05 1 14 16 12 ARG CA C 56.507 0.2 1 15 16 12 ARG N N 124.104 0.1 1 16 18 14 ILE H H 8.423 0.05 1 17 18 14 ILE N N 120.385 0.1 1 18 29 25 LEU H H 8.137 0.05 1 19 29 25 LEU N N 119.991 0.1 1 20 36 32 LEU H H 8.309 0.05 1 21 36 32 LEU C C 179.008 0.2 1 22 36 32 LEU N N 120.940 0.1 1 23 37 33 LEU H H 8.724 0.05 1 24 37 33 LEU N N 118.868 0.1 1 25 39 35 VAL C C 176.926 0.2 1 26 40 36 ILE H H 7.519 0.05 1 27 40 36 ILE N N 119.381 0.1 1 28 50 46 LEU H H 8.170 0.05 1 29 50 46 LEU N N 122.716 0.1 1 30 55 51 LEU H H 7.832 0.05 1 31 55 51 LEU N N 121.250 0.1 1 32 57 53 ARG H H 7.367 0.05 1 33 57 53 ARG CA C 60.434 0.2 1 34 57 53 ARG N N 116.497 0.1 1 35 58 54 LEU H H 8.009 0.05 1 36 58 54 LEU N N 120.259 0.1 1 37 60 56 LEU H H 8.453 0.05 1 38 60 56 LEU N N 123.431 0.1 1 39 63 59 LEU H H 7.760 0.05 1 40 63 59 LEU CA C 58.295 0.2 1 41 63 59 LEU N N 117.137 0.1 1 42 64 60 ILE H H 7.725 0.05 1 43 64 60 ILE N N 117.261 0.1 1 44 65 61 LEU H H 8.038 0.05 1 45 65 61 LEU N N 117.119 0.1 1 46 66 62 VAL C C 177.649 0.2 1 47 67 63 ILE H H 8.095 0.05 1 48 67 63 ILE N N 121.636 0.1 1 49 68 64 ILE H H 7.550 0.05 1 50 68 64 ILE N N 119.425 0.1 1 51 69 65 LEU H H 8.113 0.05 1 52 69 65 LEU N N 118.075 0.1 1 53 76 72 ARG H H 8.148 0.05 1 54 76 72 ARG CA C 60.151 0.2 1 55 76 72 ARG N N 119.328 0.1 1 56 91 87 LEU H H 7.233 0.05 1 57 91 87 LEU N N 122.019 0.1 1 58 94 90 ILE H H 7.288 0.05 1 59 94 90 ILE N N 116.905 0.1 1 60 97 93 LEU H H 7.552 0.05 1 61 97 93 LEU N N 112.956 0.1 1 62 102 98 LEU H H 7.124 0.05 1 63 102 98 LEU C C 177.850 0.2 1 64 102 98 LEU N N 118.250 0.1 1 65 103 99 LEU H H 6.848 0.05 1 66 103 99 LEU N N 116.376 0.1 1 67 105 101 LEU H H 7.674 0.05 1 68 105 101 LEU CA C 57.998 0.2 1 69 105 101 LEU N N 118.940 0.1 1 70 106 102 ILE H H 7.827 0.05 1 71 106 102 ILE N N 118.269 0.1 1 72 110 106 LEU H H 8.370 0.05 1 73 110 106 LEU N N 117.874 0.1 1 74 113 109 LEU H H 7.144 0.05 1 75 113 109 LEU N N 118.843 0.1 1 76 115 111 LEU H H 7.569 0.05 1 77 115 111 LEU N N 122.282 0.1 1 78 118 114 LEU H H 7.292 0.05 1 79 118 114 LEU N N 117.190 0.1 1 80 120 116 ARG H H 7.677 0.05 1 81 120 116 ARG CA C 59.671 0.2 1 82 120 116 ARG N N 117.679 0.1 1 83 121 117 LEU C C 178.176 0.2 1 84 122 118 LEU H H 8.091 0.05 1 85 122 118 LEU N N 120.725 0.1 1 86 123 119 ARG H H 8.189 0.05 1 87 123 119 ARG CA C 59.537 0.2 1 88 123 119 ARG N N 119.208 0.1 1 89 125 121 LEU H H 8.362 0.05 1 90 125 121 LEU N N 118.398 0.1 1 91 126 122 ARG H H 7.984 0.05 1 92 126 122 ARG CA C 59.832 0.2 1 93 126 122 ARG N N 117.984 0.1 1 94 127 123 ILE H H 7.708 0.05 1 95 127 123 ILE N N 118.152 0.1 1 96 128 124 LEU C C 178.465 0.2 1 97 129 125 LEU H H 8.074 0.05 1 98 129 125 LEU CA C 59.682 0.2 1 99 129 125 LEU N N 120.912 0.1 1 100 130 126 ILE H H 8.043 0.05 1 101 130 126 ILE N N 119.444 0.1 1 102 131 127 ILE H H 8.084 0.05 1 103 131 127 ILE N N 119.266 0.1 1 104 133 129 ARG H H 8.691 0.05 1 105 133 129 ARG CA C 60.531 0.2 1 106 133 129 ARG N N 120.634 0.1 1 107 138 134 LEU H H 7.932 0.05 1 108 138 134 LEU N N 118.119 0.1 1 109 141 137 ILE H H 7.910 0.05 1 110 141 137 ILE N N 116.816 0.1 1 111 148 144 LEU H H 7.782 0.05 1 112 148 144 LEU C C 176.648 0.2 1 113 148 144 LEU CA C 55.753 0.2 1 114 148 144 LEU N N 118.548 0.1 1 115 149 145 VAL H H 7.607 0.05 1 116 149 145 VAL N N 119.320 0.1 1 117 151 147 ARG H H 7.836 0.05 1 118 151 147 ARG CA C 57.133 0.2 1 119 151 147 ARG N N 127.016 0.1 1 stop_ save_