data_15853 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Local and global structure of the monomeric subunit of the potassium channel KcsA probed by NMR ; _BMRB_accession_number 15853 _BMRB_flat_file_name bmr15853.str _Entry_type original _Submission_date 2008-07-02 _Accession_date 2008-07-02 _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 Chill Jordan H. . 2 Louis John M. . 3 Delaglio Frank . . 4 Bax Ad . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 407 "13C chemical shifts" 833 "15N chemical shifts" 407 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-07 original author . stop_ _Original_release_date 2008-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Local and global structure of the monomeric subunit of the potassium channel KcsA probed by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17945182 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chill Jordan H. . 2 Louis John M. . 3 Delaglio Frank . . 4 Bax Ad . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta.' _Journal_volume 1768 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3260 _Page_last 3270 _Year 2007 _Details . loop_ _Keyword KcsA NMR 'potassium channel' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KcsA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KcsA $KcsA 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_KcsA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KcsA _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'selective conduction of K+ ions across the cell membrane' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; LLGRHGSALHWRAAGAATVL LVIVLLAGSYLAVLAERGAP GAQLITYPRALWWSVETATT VGYGDLYPVTLWGRLVAVVV MVAGITSFGLVTAALATWFV GREQERRGHFVRHSEKAAEE AYTRTTRALHERFDRLERML DDNRR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 16 LEU 2 17 LEU 3 18 GLY 4 19 ARG 5 20 HIS 6 21 GLY 7 22 SER 8 23 ALA 9 24 LEU 10 25 HIS 11 26 TRP 12 27 ARG 13 28 ALA 14 29 ALA 15 30 GLY 16 31 ALA 17 32 ALA 18 33 THR 19 34 VAL 20 35 LEU 21 36 LEU 22 37 VAL 23 38 ILE 24 39 VAL 25 40 LEU 26 41 LEU 27 42 ALA 28 43 GLY 29 44 SER 30 45 TYR 31 46 LEU 32 47 ALA 33 48 VAL 34 49 LEU 35 50 ALA 36 51 GLU 37 52 ARG 38 53 GLY 39 54 ALA 40 55 PRO 41 56 GLY 42 57 ALA 43 58 GLN 44 59 LEU 45 60 ILE 46 61 THR 47 62 TYR 48 63 PRO 49 64 ARG 50 65 ALA 51 66 LEU 52 67 TRP 53 68 TRP 54 69 SER 55 70 VAL 56 71 GLU 57 72 THR 58 73 ALA 59 74 THR 60 75 THR 61 76 VAL 62 77 GLY 63 78 TYR 64 79 GLY 65 80 ASP 66 81 LEU 67 82 TYR 68 83 PRO 69 84 VAL 70 85 THR 71 86 LEU 72 87 TRP 73 88 GLY 74 89 ARG 75 90 LEU 76 91 VAL 77 92 ALA 78 93 VAL 79 94 VAL 80 95 VAL 81 96 MET 82 97 VAL 83 98 ALA 84 99 GLY 85 100 ILE 86 101 THR 87 102 SER 88 103 PHE 89 104 GLY 90 105 LEU 91 106 VAL 92 107 THR 93 108 ALA 94 109 ALA 95 110 LEU 96 111 ALA 97 112 THR 98 113 TRP 99 114 PHE 100 115 VAL 101 116 GLY 102 117 ARG 103 118 GLU 104 119 GLN 105 120 GLU 106 121 ARG 107 122 ARG 108 123 GLY 109 124 HIS 110 125 PHE 111 126 VAL 112 127 ARG 113 128 HIS 114 129 SER 115 130 GLU 116 131 LYS 117 132 ALA 118 133 ALA 119 134 GLU 120 135 GLU 121 136 ALA 122 137 TYR 123 138 THR 124 139 ARG 125 140 THR 126 141 THR 127 142 ARG 128 143 ALA 129 144 LEU 130 145 HIS 131 146 GLU 132 147 ARG 133 148 PHE 134 149 ASP 135 150 ARG 136 151 LEU 137 152 GLU 138 153 ARG 139 154 MET 140 155 LEU 141 156 ASP 142 157 ASP 143 158 ASN 144 159 ARG 145 160 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1BL8 "Potassium Channel (Kcsa) From Streptomyces Lividans" 66.90 97 98.97 98.97 1.07e-56 PDB 1F6G "Potassium Channel (Kcsa) Full-Length Fold" 100.00 160 97.93 97.93 3.28e-93 PDB 1J95 "Kcsa Potassium Channel With Tba (Tetrabutylammonium) And Potassium" 75.86 125 99.09 99.09 3.04e-67 PDB 1JVM "Kcsa Potassium Channel With Tba (Tetrabutylammonium) And Rubidium" 75.86 125 99.09 99.09 2.34e-67 PDB 1K4C "Potassium Channel Kcsa-Fab Complex In High Concentration Of K+" 75.17 124 99.08 99.08 2.75e-66 PDB 1K4D "Potassium Channel Kcsa-Fab Complex In Low Concentration Of K+" 75.17 124 99.08 99.08 2.75e-66 PDB 1R3I "Potassium Channel Kcsa-Fab Complex In Rb+" 75.17 124 99.08 99.08 2.75e-66 PDB 1R3J "Potassium Channel Kcsa-Fab Complex In High Concentration Of Tl+" 75.17 124 99.08 99.08 2.75e-66 PDB 1R3K "Potassium Channel Kcsa-Fab Complex In Low Concentration Of Tl+" 75.17 124 99.08 99.08 2.75e-66 PDB 1R3L "Potassium Channel Kcsa-Fab Complex In Cs+" 75.17 124 99.08 99.08 2.75e-66 PDB 1S5H "Potassium Channel Kcsa-Fab Complex T75c Mutant In K+" 75.17 124 99.08 99.08 2.63e-66 PDB 1ZWI "Structure Of Mutant Kcsa Potassium Channel" 70.34 103 98.04 98.04 9.21e-60 PDB 2ATK "Structure Of A Mutant Kcsa K+ Channel" 75.17 124 98.17 98.17 1.64e-65 PDB 2BOB "Potassium Channel Kcsa-Fab Complex In Thallium With Tetrabutylammonium (Tba)" 75.17 124 99.08 99.08 2.75e-66 PDB 2BOC "Potassium Channel Kcsa-Fab Complex In Thallium With Tetraethylarsonium (Teas)" 75.17 124 99.08 99.08 2.75e-66 PDB 2DWD "Crystal Structure Of Kcsa-Fab-Tba Complex In Tl+" 71.03 103 99.03 99.03 1.04e-61 PDB 2DWE "Crystal Structure Of Kcsa-Fab-Tba Complex In Rb+" 71.03 103 99.03 99.03 1.04e-61 PDB 2HJF "Potassium Channel Kcsa-Fab Complex With Tetrabutylammonium (Tba)" 71.03 103 99.03 99.03 1.04e-61 PDB 2HVJ "Crystal Structure Of Kcsa-fab-tba Complex In Low K+" 75.17 124 99.08 99.08 2.75e-66 PDB 2HVK "Crystal Structure Of The Kcsa-Fab-Tba Complex In High K+" 75.17 124 99.08 99.08 2.75e-66 PDB 2IH1 "Ion Selectivity In A Semi-Synthetic K+ Channel Locked In The Conductive Conformation" 73.79 122 97.20 98.13 5.44e-63 PDB 2IH3 "Ion Selectivity In A Semi-Synthetic K+ Channel Locked In The Conductive Conformation" 73.79 122 97.20 98.13 5.44e-63 PDB 2ITC "Potassium Channel Kcsa-Fab Complex In Sodium Chloride" 75.17 124 99.08 99.08 2.75e-66 PDB 2ITD "Potassium Channel Kcsa-Fab Complex In Barium Chloride" 75.17 124 99.08 99.08 2.75e-66 PDB 2JK5 "Potassium Channel Kcsa In Complex With Tetrabutylammonium In High K" 75.17 124 99.08 99.08 3.03e-66 PDB 2NLJ "Potassium Channel Kcsa(M96v)-Fab Complex In Kcl" 75.17 124 98.17 99.08 1.55e-65 PDB 2P7T "Crystal Structure Of Kcsa Mutant" 71.03 103 98.06 98.06 4.47e-61 PDB 2QTO "An Anisotropic Model For Potassium Channel Kcsa" 66.90 97 98.97 98.97 1.07e-56 PDB 2W0F "Potassium Channel Kcsa-fab Complex With Tetraoctylammonium" 75.17 124 99.08 99.08 3.03e-66 PDB 3EFF "The Crystal Structure Of Full-Length Kcsa In Its Closed Conformation" 95.86 139 100.00 100.00 4.18e-91 PDB 3F5W "Kcsa Potassium Channel In The Open-Inactivated State With 32 A Opening At T112" 65.52 104 97.89 97.89 5.55e-54 PDB 3F7V "Kcsa Potassium Channel In The Open-Inactivated State With 23 A Opening At T112" 65.52 104 97.89 97.89 5.55e-54 PDB 3F7Y "Kcsa Potassium Channel In The Partially Open State With 17 A Opening At T112" 65.52 104 97.89 97.89 5.55e-54 PDB 3FB5 "Kcsa Potassium Channel In The Partially Open State With 14.5 A Opening At T112" 65.52 104 97.89 97.89 5.55e-54 PDB 3FB6 "Kcsa Potassium Channel In The Partially Open State With 16 A Opening At T112" 65.52 104 97.89 97.89 5.55e-54 PDB 3FB7 "Open Kcsa Potassium Channel In The Presence Of Rb+ Ion" 65.52 104 97.89 97.89 5.55e-54 PDB 3FB8 "Kcsa Potassium Channel In The Open-Conductive State With 20 At T112 In The Presence Of Rb+ Ion" 65.52 104 97.89 97.89 5.55e-54 PDB 3GB7 "Potassium Channel Kcsa-Fab Complex In Li+" 75.17 124 99.08 99.08 2.75e-66 PDB 3HPL "Kcsa E71h-F103a Mutant In The Closed State" 75.17 124 97.25 97.25 3.93e-64 PDB 3IGA "Potassium Channel Kcsa-fab Complex In Li+ And K+" 75.17 124 99.08 99.08 2.75e-66 PDB 3OGC "Kcsa E71a Variant In Presence Of Na+" 75.17 131 99.08 99.08 1.15e-65 PDB 3OR6 "On The Structural Basis Of Modal Gating Behavior In K+channels - E71q" 71.03 103 98.06 99.03 2.35e-61 PDB 3OR7 "On The Structural Basis Of Modal Gating Behavior In K+channels - E71i" 71.03 103 98.06 98.06 1.70e-60 PDB 3STL "Kcsa Potassium Channel Mutant Y82c With Cadmium Bound" 71.03 103 99.03 99.03 4.23e-61 PDB 3STZ "Kcsa Potassium Channel Mutant Y82c With Nitroxide Spin Label" 70.34 102 99.02 99.02 1.95e-60 PDB 4LBE "Structure Of Kcsa With R122a Mutation" 75.17 130 99.08 99.08 1.24e-65 PDB 4LCU "Structure Of Kcsa With E118a Mutation" 75.17 131 99.08 99.08 1.15e-65 PDB 4MSW "Y78 Ester Mutant Of Kcsa In High K+" 71.03 103 99.03 99.03 5.26e-61 PDB 4UUJ "Potassium Channel Kcsa-fab With Tetrahexylammonium" 71.72 111 99.04 99.04 1.34e-62 EMBL CAA86025 "potassium channel protein [Streptomyces lividans 1326]" 100.00 160 100.00 100.00 1.61e-95 EMBL CAC16993 "voltage-gated potassium channel [Streptomyces coelicolor A3(2)]" 100.00 160 100.00 100.00 1.61e-95 GB AIJ11233 "Voltage-gated potassium channel [Streptomyces lividans TK24]" 100.00 157 100.00 100.00 1.16e-95 GB EFD64549 "voltage-gated potassium channel [Streptomyces lividans TK24]" 100.00 160 100.00 100.00 1.61e-95 GB EOY52587 "Voltage-gated potassium channel [Streptomyces lividans 1326]" 100.00 157 100.00 100.00 1.16e-95 GB KKD16939 "voltage-gated potassium channel [Streptomyces sp. WM6391]" 100.00 157 100.00 100.00 1.16e-95 REF NP_631700 "voltage-gated potassium channel [Streptomyces coelicolor A3(2)]" 100.00 160 100.00 100.00 1.61e-95 REF WP_003971485 "pH-gated potassium channel KcsA [Streptomyces coelicolor]" 100.00 160 100.00 100.00 1.61e-95 REF WP_016328171 "MULTISPECIES: Voltage-gated potassium channel [Streptomyces]" 100.00 157 100.00 100.00 1.16e-95 REF WP_030864493 "voltage-gated potassium channel [Streptomyces violaceoruber]" 100.00 157 97.93 99.31 5.58e-94 SP P0A333 "RecName: Full=pH-gated potassium channel KcsA" 100.00 160 100.00 100.00 1.61e-95 SP P0A334 "RecName: Full=pH-gated potassium channel KcsA; AltName: Full=Streptomyces lividans K+ channel; Short=SKC1" 100.00 160 100.00 100.00 1.61e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KcsA 'Streptomyces coelicolor' 1902 Bacteria . Streptomyces coelicolor 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 $KcsA 'recombinant technology' . Escherichia coli . pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_for_TableS2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KcsA 0.5-0.6 mM 'natural abundance' 'sodium formate' 25 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2_for_TableS3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KcsA 0.5-0.6 mM 'natural abundance' MES 25 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3_for_TableS4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KcsA 0.5-0.6 mM 'natural abundance' TRIS 25 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe_NMRDraw _Saveframe_category software _Name NMRPipe/NMRDraw _Version . loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1_for_TableS2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2_for_TableS3 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3_for_TableS4 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1_for_TableS2 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2_for_TableS3 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3_for_TableS4 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1_for_TableS2 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2_for_TableS3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3_for_TableS4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.2 . pH pressure 14.1 . Torr temperature 323 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH pressure 14.1 . Torr temperature 323 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8 . pH pressure 14.1 . Torr temperature 323 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Experiment_label '3D HNCO' '3D HN(CA)CO' '3D HNCA' stop_ loop_ _Sample_label $sample_1_for_TableS2 $sample_2_for_TableS3 $sample_3_for_TableS4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KcsA _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 16 1 LEU H H 8.24 0.02 1 2 16 1 LEU C C 1.771 0.1 1 3 16 1 LEU CA C 56.4 0.1 1 4 16 1 LEU N N 122.7 0.02 1 5 17 2 LEU H H 7.71 0.02 1 6 17 2 LEU C C 1.776 0.1 1 7 17 2 LEU CA C 54.9 0.1 1 8 17 2 LEU N N 117.7 0.02 1 9 18 3 GLY H H 7.95 0.02 1 10 18 3 GLY C C 174.9 0.1 1 11 18 3 GLY CA C 45.3 0.1 1 12 18 3 GLY N N 107.9 0.02 1 13 19 4 ARG H H 7.82 0.02 1 14 19 4 ARG C C 176.7 0.1 1 15 19 4 ARG CA C 56.3 0.1 1 16 19 4 ARG N N 119.6 0.02 1 17 20 5 HIS H H 8.22 0.02 1 18 20 5 HIS C C 174.9 0.1 1 19 20 5 HIS CA C 55.2 0.1 1 20 20 5 HIS N N 117.5 0.02 1 21 21 6 GLY H H 8.06 0.02 1 22 21 6 GLY C C 174.3 0.1 1 23 21 6 GLY CA C 45.4 0.1 1 24 21 6 GLY N N 109.3 0.02 1 25 22 7 SER H H 7.92 0.02 1 26 22 7 SER C C 174.3 0.1 1 27 22 7 SER CA C 58.2 0.1 1 28 22 7 SER N N 115.7 0.02 1 29 23 8 ALA H H 7.99 0.02 1 30 23 8 ALA C C 177.2 0.1 1 31 23 8 ALA CA C 52.2 0.1 1 32 23 8 ALA N N 125.1 0.02 1 33 24 9 LEU H H 7.65 0.02 1 34 24 9 LEU C C 177.3 0.1 1 35 24 9 LEU CA C 55 0.1 1 36 24 9 LEU N N 119.7 0.02 1 37 25 10 HIS H H 8.04 0.02 1 38 25 10 HIS C C 175.1 0.1 1 39 25 10 HIS CA C 54.8 0.1 1 40 25 10 HIS N N 119 0.02 1 41 26 11 TRP H H 7.63 0.02 1 42 26 11 TRP C C 177.5 0.1 1 43 26 11 TRP CA C 59.1 0.1 1 44 26 11 TRP N N 120.7 0.02 1 45 27 12 ARG H H 7.75 0.02 1 46 27 12 ARG C C 177.3 0.1 1 47 27 12 ARG CA C 59 0.1 1 48 27 12 ARG N N 120.4 0.02 1 49 28 13 ALA H H 7.57 0.02 1 50 28 13 ALA C C 178.4 0.1 1 51 28 13 ALA CA C 54.2 0.1 1 52 28 13 ALA N N 121.3 0.02 1 53 29 14 ALA H H 7.87 0.02 1 54 29 14 ALA C C 180.1 0.1 1 55 29 14 ALA CA C 54.3 0.1 1 56 29 14 ALA N N 118.8 0.02 1 57 30 15 GLY H H 8.49 0.02 1 58 30 15 GLY C C 174.4 0.1 1 59 30 15 GLY CA C 47 0.1 1 60 30 15 GLY N N 107.7 0.02 1 61 31 16 ALA H H 8.16 0.02 1 62 31 16 ALA C C 178.5 0.1 1 63 31 16 ALA CA C 55 0.1 1 64 31 16 ALA N N 123.9 0.02 1 65 32 17 ALA H H 8.19 0.02 1 66 32 17 ALA C C 178.3 0.1 1 67 32 17 ALA CA C 54.9 0.1 1 68 32 17 ALA N N 118 0.02 1 69 33 18 THR H H 7.67 0.02 1 70 33 18 THR C C 175.8 0.1 1 71 33 18 THR CA C 67.5 0.1 1 72 33 18 THR N N 113.8 0.02 1 73 34 19 VAL H H 7.74 0.02 1 74 34 19 VAL C C 177.2 0.1 1 75 34 19 VAL CA C 66.8 0.1 1 76 34 19 VAL N N 120.2 0.02 1 77 35 20 LEU H H 7.86 0.02 1 78 35 20 LEU C C 177.9 0.1 1 79 35 20 LEU CA C 57.5 0.1 1 80 35 20 LEU N N 118.7 0.02 1 81 36 21 LEU H H 8.03 0.02 1 82 36 21 LEU C C 178.2 0.1 1 83 36 21 LEU CA C 57.4 0.1 1 84 36 21 LEU N N 118.4 0.02 1 85 37 22 VAL H H 7.99 0.02 1 86 37 22 VAL C C 177.5 0.1 1 87 37 22 VAL CA C 67 0.1 1 88 37 22 VAL N N 118.2 0.02 1 89 38 23 ILE H H 8.07 0.02 1 90 38 23 ILE C C 177.6 0.1 1 91 38 23 ILE CA C 65.8 0.1 1 92 38 23 ILE N N 119.4 0.02 1 93 39 24 VAL H H 8.25 0.02 1 94 39 24 VAL C C 177.9 0.1 1 95 39 24 VAL CA C 66.8 0.1 1 96 39 24 VAL N N 119.5 0.02 1 97 40 25 LEU H H 8.32 0.02 1 98 40 25 LEU C C 180.2 0.1 1 99 40 25 LEU CA C 57.8 0.1 1 100 40 25 LEU N N 119.9 0.02 1 101 41 26 LEU H H 8.56 0.02 1 102 41 26 LEU C C 178.5 0.1 1 103 41 26 LEU CA C 57.9 0.1 1 104 41 26 LEU N N 121.3 0.02 1 105 42 27 ALA H H 8.75 0.02 1 106 42 27 ALA C C 179.7 0.1 1 107 42 27 ALA CA C 55 0.1 1 108 42 27 ALA N N 121.5 0.02 1 109 43 28 GLY H H 8.84 0.02 1 110 43 28 GLY C C 175.1 0.1 1 111 43 28 GLY CA C 47 0.1 1 112 43 28 GLY N N 105 0.02 1 113 44 29 SER H H 8.07 0.02 1 114 44 29 SER C C 175.6 0.1 1 115 44 29 SER CA C 61 0.1 1 116 44 29 SER N N 117.9 0.02 1 117 45 30 TYR H H 8.08 0.02 1 118 45 30 TYR C C 177.3 0.1 1 119 45 30 TYR CA C 61 0.1 1 120 45 30 TYR N N 122.6 0.02 1 121 46 31 LEU H H 8.18 0.02 1 122 46 31 LEU C C 178.7 0.1 1 123 46 31 LEU CA C 57.5 0.1 1 124 46 31 LEU N N 118.3 0.02 1 125 47 32 ALA H H 8.15 0.02 1 126 47 32 ALA C C 179.5 0.1 1 127 47 32 ALA CA C 54.9 0.1 1 128 47 32 ALA N N 121.1 0.02 1 129 48 33 VAL H H 7.84 0.02 1 130 48 33 VAL C C 178.5 0.1 1 131 48 33 VAL CA C 66 0.1 1 132 48 33 VAL N N 118.3 0.02 1 133 49 34 LEU H H 7.97 0.02 1 134 49 34 LEU C C 179.7 0.1 1 135 49 34 LEU CA C 57.5 0.1 1 136 49 34 LEU N N 120.7 0.02 1 137 50 35 ALA H H 8.18 0.02 1 138 50 35 ALA C C 179.9 0.1 1 139 50 35 ALA CA C 54.1 0.1 1 140 50 35 ALA N N 121.2 0.02 1 141 51 36 GLU H H 7.98 0.02 1 142 51 36 GLU C C 177.7 0.1 1 143 51 36 GLU CA C 57.1 0.1 1 144 51 36 GLU N N 117 0.02 1 145 52 37 ARG H H 7.98 0.02 1 146 52 37 ARG C C 177.2 0.1 1 147 52 37 ARG CA C 56.5 0.1 1 148 52 37 ARG N N 118 0.02 1 149 53 38 GLY H H 7.83 0.02 1 150 53 38 GLY C C 173.5 0.1 1 151 53 38 GLY CA C 45 0.1 1 152 53 38 GLY N N 108.6 0.02 1 153 54 39 ALA H H 7.83 0.02 1 154 54 39 ALA CA C 50.2 0.1 1 155 54 39 ALA N N 124.2 0.02 1 156 55 40 PRO C C 177.8 0.1 1 157 55 40 PRO CA C 63.5 0.1 1 158 56 41 GLY H H 8.17 0.02 1 159 56 41 GLY C C 174.3 0.1 1 160 56 41 GLY CA C 45.5 0.1 1 161 56 41 GLY N N 108.8 0.02 1 162 57 42 ALA H H 7.76 0.02 1 163 57 42 ALA C C 177.9 0.1 1 164 57 42 ALA CA C 52.8 0.1 1 165 57 42 ALA N N 122.8 0.02 1 166 58 43 GLN H H 8.01 0.02 1 167 58 43 GLN C C 176.6 0.1 1 168 58 43 GLN CA C 56.2 0.1 1 169 58 43 GLN N N 117.7 0.02 1 170 59 44 LEU H H 7.93 0.02 1 171 59 44 LEU C C 177.3 0.1 1 172 59 44 LEU CA C 56.5 0.1 1 173 59 44 LEU N N 121.9 0.02 1 174 60 45 ILE H H 7.49 0.02 1 175 60 45 ILE C C 175.4 0.1 1 176 60 45 ILE CA C 61.2 0.1 1 177 60 45 ILE N N 115.7 0.02 1 178 61 46 THR H H 7.5 0.02 1 179 61 46 THR C C 174.9 0.1 1 180 61 46 THR CA C 62.6 0.1 1 181 61 46 THR N N 114.9 0.02 1 182 62 47 TYR H H 7.78 0.02 1 183 62 47 TYR CA C 58.8 0.1 1 184 62 47 TYR N N 121.4 0.02 1 185 63 48 PRO C C 177.2 0.1 1 186 63 48 PRO CA C 64.9 0.1 1 187 64 49 ARG H H 7.61 0.02 1 188 64 49 ARG C C 177 0.1 1 189 64 49 ARG CA C 58.6 0.1 1 190 64 49 ARG N N 117.5 0.02 1 191 65 50 ALA H H 7.69 0.02 1 192 65 50 ALA C C 180.2 0.1 1 193 65 50 ALA CA C 54.1 0.1 1 194 65 50 ALA N N 121.2 0.02 1 195 66 51 LEU H H 7.86 0.02 1 196 66 51 LEU CA C 57.2 0.1 1 197 66 51 LEU N N 119.8 0.02 1 198 67 52 TRP C C 178.4 0.1 1 199 68 53 TRP H H 7.92 0.02 1 200 68 53 TRP C C 179 0.1 1 201 68 53 TRP CA C 59.2 0.1 1 202 68 53 TRP N N 120.1 0.02 1 203 69 54 SER H H 7.97 0.02 1 204 69 54 SER C C 175.9 0.1 1 205 69 54 SER CA C 61.7 0.1 1 206 69 54 SER N N 116.7 0.02 1 207 70 55 VAL H H 7.83 0.02 1 208 70 55 VAL C C 177.9 0.1 1 209 70 55 VAL CA C 65.2 0.1 1 210 70 55 VAL N N 122 0.02 1 211 71 56 GLU H H 8.12 0.02 1 212 71 56 GLU C C 178.1 0.1 1 213 71 56 GLU CA C 57.9 0.1 1 214 71 56 GLU N N 119.9 0.02 1 215 72 57 THR H H 7.73 0.02 1 216 72 57 THR C C 175.5 0.1 1 217 72 57 THR CA C 64 0.1 1 218 72 57 THR N N 113.7 0.02 1 219 73 58 ALA H H 7.77 0.02 1 220 73 58 ALA C C 178.5 0.1 1 221 73 58 ALA CA C 53.8 0.1 1 222 73 58 ALA N N 124.6 0.02 1 223 74 59 THR H H 7.71 0.02 1 224 74 59 THR C C 175.3 0.1 1 225 74 59 THR CA C 62.8 0.1 1 226 74 59 THR N N 109.4 0.02 1 227 75 60 THR H H 7.69 0.02 1 228 75 60 THR C C 175.2 0.1 1 229 75 60 THR CA C 62.8 0.1 1 230 75 60 THR N N 115 0.02 1 231 76 61 VAL H H 7.69 0.02 1 232 76 61 VAL C C 176.4 0.1 1 233 76 61 VAL CA C 62.8 0.1 1 234 76 61 VAL N N 120.8 0.02 1 235 77 62 GLY H H 7.84 0.02 1 236 77 62 GLY C C 174 0.1 1 237 77 62 GLY CA C 45 0.1 1 238 77 62 GLY N N 110.1 0.02 1 239 78 63 TYR H H 7.76 0.02 1 240 78 63 TYR C C 176.5 0.1 1 241 78 63 TYR CA C 58.2 0.1 1 242 78 63 TYR N N 119.9 0.02 1 243 79 64 GLY H H 8.09 0.02 1 244 79 64 GLY C C 174.3 0.1 1 245 79 64 GLY CA C 45.7 0.1 1 246 79 64 GLY N N 109.4 0.02 1 247 80 65 ASP H H 7.87 0.02 1 248 80 65 ASP C C 174.8 0.1 1 249 80 65 ASP CA C 53.1 0.1 1 250 80 65 ASP N N 118.3 0.02 1 251 81 66 LEU H H 7.76 0.02 1 252 81 66 LEU CA C 55 0.1 1 253 81 66 LEU N N 120.9 0.02 1 254 83 68 PRO C C 176.8 0.1 1 255 83 68 PRO CA C 63.4 0.1 1 256 84 69 VAL H H 7.75 0.02 1 257 84 69 VAL C C 177 0.1 1 258 84 69 VAL CA C 63.4 0.1 1 259 84 69 VAL N N 118.3 0.02 1 260 85 70 THR H H 7.65 0.02 1 261 85 70 THR C C 175.7 0.1 1 262 85 70 THR CA C 62.9 0.1 1 263 85 70 THR N N 114.4 0.02 1 264 86 71 LEU H H 7.88 0.02 1 265 86 71 LEU C C 177.4 0.1 1 266 86 71 LEU CA C 57.3 0.1 1 267 86 71 LEU N N 123.2 0.02 1 268 87 72 TRP H H 7.7 0.02 1 269 87 72 TRP C C 177.6 0.1 1 270 87 72 TRP CA C 59.3 0.1 1 271 87 72 TRP N N 118.3 0.02 1 272 88 73 GLY H H 7.94 0.02 1 273 88 73 GLY C C 176 0.1 1 274 88 73 GLY CA C 106 0.1 1 275 88 73 GLY N N 46.8 0.02 1 276 89 74 ARG H H 7.69 0.02 1 277 89 74 ARG CA C 58.3 0.1 1 278 89 74 ARG N N 120.9 0.02 1 279 90 75 LEU C C 178.5 0.1 1 280 91 76 VAL H H 8.04 0.02 1 281 91 76 VAL C C 177.1 0.1 1 282 91 76 VAL CA C 66.4 0.1 1 283 91 76 VAL N N 118.1 0.02 1 284 92 77 ALA H H 7.56 0.02 1 285 92 77 ALA C C 179.9 0.1 1 286 92 77 ALA CA C 54.9 0.1 1 287 92 77 ALA N N 119.9 0.02 1 288 93 78 VAL H H 7.73 0.02 1 289 93 78 VAL C C 177.4 0.1 1 290 93 78 VAL CA C 66.2 0.1 1 291 93 78 VAL N N 117.3 0.02 1 292 94 79 VAL H H 7.97 0.02 1 293 94 79 VAL C C 177.6 0.1 1 294 94 79 VAL CA C 66.9 0.1 1 295 94 79 VAL N N 120.2 0.02 1 296 95 80 VAL H H 8.24 0.02 1 297 95 80 VAL C C 178.4 0.1 1 298 95 80 VAL CA C 66.2 0.1 1 299 95 80 VAL N N 118.4 0.02 1 300 96 81 MET H H 7.86 0.02 1 301 96 81 MET C C 178.8 0.1 1 302 96 81 MET CA C 58.6 0.1 1 303 96 81 MET N N 119.7 0.02 1 304 97 82 VAL H H 8.37 0.02 1 305 97 82 VAL C C 178.2 0.1 1 306 97 82 VAL CA C 65.8 0.1 1 307 97 82 VAL N N 118.9 0.02 1 308 98 83 ALA H H 8.51 0.02 1 309 98 83 ALA CA C 54.1 0.1 1 310 98 83 ALA N N 123.2 0.02 1 311 100 85 ILE C C 177 0.1 1 312 101 86 THR H H 7.87 0.02 1 313 101 86 THR C C 175.4 0.1 1 314 101 86 THR CA C 63.6 0.1 1 315 101 86 THR N N 114.6 0.02 1 316 102 87 SER H H 7.93 0.02 1 317 102 87 SER C C 175 0.1 1 318 102 87 SER CA C 59.5 0.1 1 319 102 87 SER N N 116.7 0.02 1 320 103 88 PHE H H 8.2 0.02 1 321 103 88 PHE C C 177.8 0.1 1 322 103 88 PHE CA C 60 0.1 1 323 103 88 PHE N N 121.9 0.02 1 324 104 89 GLY H H 8.39 0.02 1 325 104 89 GLY C C 175.2 0.1 1 326 104 89 GLY CA C 46.6 0.1 1 327 104 89 GLY N N 109.2 0.02 1 328 105 90 LEU H H 7.86 0.02 1 329 105 90 LEU C C 178.9 0.1 1 330 105 90 LEU CA C 57.1 0.1 1 331 105 90 LEU N N 121.7 0.02 1 332 106 91 VAL H H 7.83 0.02 1 333 106 91 VAL C C 177.6 0.1 1 334 106 91 VAL CA C 66 0.1 1 335 106 91 VAL N N 118.4 0.02 1 336 107 92 THR H H 7.93 0.02 1 337 107 92 THR C C 176.5 0.1 1 338 107 92 THR CA C 66.1 0.1 1 339 107 92 THR N N 113.6 0.02 1 340 108 93 ALA H H 7.82 0.02 1 341 108 93 ALA C C 180.3 0.1 1 342 108 93 ALA CA C 54.8 0.1 1 343 108 93 ALA N N 123.4 0.02 1 344 109 94 ALA H H 7.93 0.02 1 345 109 94 ALA C C 179.9 0.1 1 346 109 94 ALA CA C 55.1 0.1 1 347 109 94 ALA N N 122.3 0.02 1 348 110 95 LEU H H 8.23 0.02 1 349 110 95 LEU C C 178.8 0.1 1 350 110 95 LEU CA C 57.7 0.1 1 351 110 95 LEU N N 118.8 0.02 1 352 111 96 ALA H H 8.39 0.02 1 353 111 96 ALA C C 179.5 0.1 1 354 111 96 ALA CA C 55.2 0.1 1 355 111 96 ALA N N 121 0.02 1 356 112 97 THR H H 7.93 0.02 1 357 112 97 THR C C 176.8 0.1 1 358 112 97 THR CA C 66.1 0.1 1 359 112 97 THR N N 113.4 0.02 1 360 113 98 TRP H H 8.16 0.02 1 361 113 98 TRP C C 178 0.1 1 362 113 98 TRP CA C 60.9 0.1 1 363 113 98 TRP N N 123.9 0.02 1 364 114 99 PHE H H 8.6 0.02 1 365 114 99 PHE C C 177.7 0.1 1 366 114 99 PHE CA C 61.1 0.1 1 367 114 99 PHE N N 118.7 0.02 1 368 115 100 VAL H H 8.19 0.02 1 369 115 100 VAL C C 178.2 0.1 1 370 115 100 VAL CA C 65.1 0.1 1 371 115 100 VAL N N 118.2 0.02 1 372 116 101 GLY H H 7.77 0.02 1 373 116 101 GLY C C 175.6 0.1 1 374 116 101 GLY CA C 46 0.1 1 375 116 101 GLY N N 108.5 0.02 1 376 117 102 ARG H H 7.47 0.02 1 377 117 102 ARG CA C 56.5 0.1 1 378 117 102 ARG N N 120.7 0.02 1 379 119 104 GLN C C 176.3 0.1 1 380 120 105 GLU H H 7.81 0.02 1 381 120 105 GLU C C 176.6 0.1 1 382 120 105 GLU CA C 57 0.1 1 383 120 105 GLU N N 120.3 0.02 1 384 121 106 ARG H H 7.92 0.1 1 385 121 106 ARG C C 176.9 0.1 1 386 121 106 ARG CA C 57 0.1 1 387 121 106 ARG N N 120.3 0.1 1 388 122 107 ARG H H 7.89 0.1 1 389 122 107 ARG C C 176.9 0.1 1 390 122 107 ARG CA C 56.5 0.1 1 391 122 107 ARG N N 120.4 0.1 1 392 123 108 GLY H H 7.99 0.1 1 393 123 108 GLY C C 174.1 0.1 1 394 123 108 GLY CA C 45.2 0.1 1 395 123 108 GLY N N 108.7 0.1 1 396 124 109 HIS H H 7.95 0.1 1 397 124 109 HIS C C 174.5 0.1 1 398 124 109 HIS CA C 55.5 0.1 1 399 124 109 HIS N N 117.3 0.1 1 400 125 110 PHE H H 8.06 0.1 1 401 125 110 PHE C C 176.2 0.1 1 402 125 110 PHE CA C 58.8 0.1 1 403 125 110 PHE N N 120.5 0.1 1 404 126 111 VAL H H 7.73 0.1 1 405 126 111 VAL C C 176.3 0.1 1 406 126 111 VAL CA C 63 0.1 1 407 126 111 VAL N N 120.1 0.1 1 408 127 112 ARG H H 7.85 0.1 1 409 127 112 ARG C C 177 0.1 1 410 127 112 ARG CA C 56.8 0.1 1 411 127 112 ARG N N 121.5 0.1 1 412 128 113 HIS H H 8.11 0.1 1 413 128 113 HIS C C 175.1 0.1 1 414 128 113 HIS CA C 55.9 0.1 1 415 128 113 HIS N N 117.7 0.1 1 416 129 114 SER H H 8.01 0.1 1 417 129 114 SER C C 175 0.1 1 418 129 114 SER CA C 59.1 0.1 1 419 129 114 SER N N 115.9 0.1 1 420 130 115 GLU H H 8.13 0.1 1 421 130 115 GLU CA C 57.2 0.1 1 422 130 115 GLU N N 122 0.1 1 423 131 116 LYS C C 177.8 0.1 1 424 131 116 LYS CA C 57.6 0.1 1 425 132 117 ALA H H 7.91 0.1 1 426 132 117 ALA C C 179 0.1 1 427 132 117 ALA CA C 53.9 0.1 1 428 132 117 ALA N N 122.7 0.1 1 429 133 118 ALA H H 7.92 0.1 1 430 133 118 ALA C C 178.7 0.1 1 431 133 118 ALA CA C 53.9 0.1 1 432 133 118 ALA N N 120.6 0.1 1 433 134 119 GLU H H 7.94 0.1 1 434 134 119 GLU C C 177.6 0.1 1 435 134 119 GLU CA C 57.8 0.1 1 436 134 119 GLU N N 117.2 0.1 1 437 135 120 GLU H H 7.85 0.1 1 438 135 120 GLU C C 177.4 0.1 1 439 135 120 GLU CA C 57.1 0.1 1 440 135 120 GLU N N 119.4 0.1 1 441 136 121 ALA H H 8.09 0.1 1 442 136 121 ALA C C 179 0.1 1 443 136 121 ALA CA C 54 0.1 1 444 136 121 ALA N N 122.8 0.1 1 445 137 122 TYR H H 8.15 0.1 1 446 137 122 TYR C C 177.1 0.1 1 447 137 122 TYR CA C 59.8 0.1 1 448 137 122 TYR N N 119.3 0.1 1 449 138 123 THR H H 7.98 0.1 1 450 138 123 THR C C 175.6 0.1 1 451 138 123 THR CA C 63.9 0.1 1 452 138 123 THR N N 114.9 0.1 1 453 139 124 ARG H H 7.93 0.1 1 454 139 124 ARG C C 177.6 0.1 1 455 139 124 ARG CA C 57.2 0.1 1 456 139 124 ARG N N 121.8 0.1 1 457 140 125 THR H H 7.86 0.1 1 458 140 125 THR C C 175.5 0.1 1 459 140 125 THR CA C 64.1 0.1 1 460 140 125 THR N N 114.7 0.1 1 461 141 126 THR H H 7.9 0.1 1 462 141 126 THR C C 176.1 0.1 1 463 141 126 THR CA C 63.4 0.1 1 464 141 126 THR N N 114.6 0.1 1 465 142 127 ARG H H 7.82 0.1 1 466 142 127 ARG C C 177.2 0.1 1 467 142 127 ARG CA C 57.2 0.1 1 468 142 127 ARG N N 122.6 0.1 1 469 143 128 ALA H H 7.85 0.1 1 470 143 128 ALA C C 179 0.1 1 471 143 128 ALA CA C 53.2 0.1 1 472 143 128 ALA N N 123.2 0.1 1 473 144 129 LEU H H 7.92 0.1 1 474 144 129 LEU C C 178.2 0.1 1 475 144 129 LEU CA C 56.8 0.1 1 476 144 129 LEU N N 119 0.1 1 477 145 130 HIS H H 8.11 0.1 1 478 145 130 HIS C C 175.9 0.1 1 479 145 130 HIS CA C 57.2 0.1 1 480 145 130 HIS N N 116.8 0.1 1 481 146 131 GLU H H 8 0.1 1 482 146 131 GLU C C 177.9 0.1 1 483 146 131 GLU CA C 57.3 0.1 1 484 146 131 GLU N N 118.7 0.1 1 485 147 132 ARG H H 7.79 0.1 1 486 147 132 ARG C C 177.3 0.1 1 487 147 132 ARG CA C 57.5 0.1 1 488 147 132 ARG N N 119 0.1 1 489 148 133 PHE H H 8.01 0.1 1 490 148 133 PHE C C 176.7 0.1 1 491 148 133 PHE CA C 59.2 0.1 1 492 148 133 PHE N N 118.5 0.1 1 493 149 134 ASP H H 8.09 0.1 1 494 149 134 ASP C C 177.5 0.1 1 495 149 134 ASP CA C 55.7 0.1 1 496 149 134 ASP N N 118.5 0.1 1 497 150 135 ARG H H 7.87 0.1 1 498 150 135 ARG C C 178.2 0.1 1 499 150 135 ARG CA C 58.6 0.1 1 500 150 135 ARG N N 119.8 0.1 1 501 151 136 LEU H H 7.66 0.1 1 502 151 136 LEU C C 178.3 0.1 1 503 151 136 LEU CA C 57.2 0.1 1 504 151 136 LEU N N 120.2 0.1 1 505 152 137 GLU H H 8.08 0.1 1 506 152 137 GLU C C 177.8 0.1 1 507 152 137 GLU CA C 58.7 0.1 1 508 152 137 GLU N N 117.7 0.1 1 509 153 138 ARG H H 7.62 0.1 1 510 153 138 ARG C C 178.1 0.1 1 511 153 138 ARG CA C 58.1 0.1 1 512 153 138 ARG N N 118.3 0.1 1 513 154 139 MET H H 7.69 0.1 1 514 154 139 MET C C 177.5 0.1 1 515 154 139 MET CA C 57.8 0.1 1 516 154 139 MET N N 118.8 0.1 1 517 155 140 LEU H H 7.8 0.1 1 518 155 140 LEU C C 178.1 0.1 1 519 155 140 LEU CA C 56.2 0.1 1 520 155 140 LEU N N 119.3 0.1 1 521 156 141 ASP H H 8.03 0.1 1 522 156 141 ASP C C 176.3 0.1 1 523 156 141 ASP CA C 54.1 0.1 1 524 156 141 ASP N N 117.4 0.1 1 525 157 142 ASP H H 8.02 0.1 1 526 157 142 ASP C C 177.1 0.1 1 527 157 142 ASP CA C 53.9 0.1 1 528 157 142 ASP N N 118.1 0.1 1 529 158 143 ASN H H 7.92 0.1 1 530 158 143 ASN C C 174.8 0.1 1 531 158 143 ASN CA C 53.8 0.1 1 532 158 143 ASN N N 118.4 0.1 1 533 159 144 ARG H H 7.77 0.1 1 534 159 144 ARG CA C 56.2 0.1 1 535 159 144 ARG N N 119.7 0.1 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HN(CA)CO' '3D HNCA' stop_ loop_ _Sample_label $sample_2_for_TableS3 $sample_1_for_TableS2 $sample_3_for_TableS4 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KcsA _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 16 1 LEU H H 8.22 0.02 1 2 16 1 LEU C C 177.1 0.1 1 3 16 1 LEU CA C 56.6 0.1 1 4 16 1 LEU N N 122.8 0.02 1 5 17 2 LEU H H 7.7 0.02 1 6 17 2 LEU C C 177.6 0.1 1 7 17 2 LEU CA C 54.9 0.1 1 8 17 2 LEU N N 117.9 0.02 1 9 18 3 GLY H H 7.95 0.02 1 10 18 3 GLY C C 174.9 0.1 1 11 18 3 GLY CA C 45.4 0.1 1 12 18 3 GLY N N 108 0.02 1 13 19 4 ARG H H 7.8 0.02 1 14 19 4 ARG C C 176.7 0.1 1 15 19 4 ARG CA C 56.5 0.1 1 16 19 4 ARG N N 119.6 0.02 1 17 20 5 HIS H H 8.21 0.02 1 18 20 5 HIS C C 174.9 0.1 1 19 20 5 HIS CA C 55.3 0.1 1 20 20 5 HIS N N 117.5 0.02 1 21 21 6 GLY H H 8.05 0.02 1 22 21 6 GLY C C 174.3 0.1 1 23 21 6 GLY CA C 45.5 0.1 1 24 21 6 GLY N N 109.4 0.02 1 25 22 7 SER H H 7.91 0.02 1 26 22 7 SER C C 174.2 0.1 1 27 22 7 SER CA C 58.4 0.1 1 28 22 7 SER N N 115.7 0.02 1 29 23 8 ALA H H 7.95 0.02 1 30 23 8 ALA C C 177.2 0.1 1 31 23 8 ALA CA C 52.3 0.1 1 32 23 8 ALA N N 125 0.02 1 33 24 9 LEU H H 7.66 0.02 1 34 24 9 LEU C C 177.4 0.1 1 35 24 9 LEU CA C 55.1 0.1 1 36 24 9 LEU N N 120 0.02 1 37 25 10 HIS H H 8.04 0.02 1 38 25 10 HIS C C 175.2 0.1 1 39 25 10 HIS CA C 54.7 0.1 1 40 25 10 HIS N N 119.1 0.02 1 41 26 11 TRP H H 7.62 0.02 1 42 26 11 TRP C C 175.9 0.1 1 43 26 11 TRP CA C 59.3 0.1 1 44 26 11 TRP N N 120.7 0.02 1 45 27 12 ARG H H 7.74 0.02 1 46 27 12 ARG C C 177.4 0.1 1 47 27 12 ARG CA C 59.1 0.1 1 48 27 12 ARG N N 120.2 0.02 1 49 28 13 ALA H H 7.55 0.02 1 50 28 13 ALA C C 178.5 0.1 1 51 28 13 ALA CA C 54.4 0.1 1 52 28 13 ALA N N 121.1 0.02 1 53 29 14 ALA H H 7.88 0.02 1 54 29 14 ALA C C 180.3 0.1 1 55 29 14 ALA CA C 54.5 0.1 1 56 29 14 ALA N N 118.7 0.02 1 57 30 15 GLY H H 8.54 0.02 1 58 30 15 GLY C C 174.4 0.1 1 59 30 15 GLY CA C 47.1 0.1 1 60 30 15 GLY N N 107.8 0.02 1 61 31 16 ALA H H 8.15 0.02 1 62 31 16 ALA C C 178.5 0.1 1 63 31 16 ALA CA C 55.1 0.1 1 64 31 16 ALA N N 124 0.02 1 65 32 17 ALA H H 8.18 0.02 1 66 32 17 ALA C C 178.3 0.1 1 67 32 17 ALA CA C 55 0.1 1 68 32 17 ALA N N 117.9 0.02 1 69 33 18 THR H H 7.68 0.02 1 70 33 18 THR C C 177.6 0.1 1 71 33 18 THR CA C 67.8 0.1 1 72 33 18 THR N N 113.8 0.02 1 73 34 19 VAL H H 7.73 0.02 1 74 34 19 VAL C C 177.2 0.1 1 75 34 19 VAL CA C 66.9 0.1 1 76 34 19 VAL N N 120.2 0.02 1 77 35 20 LEU H H 7.85 0.02 1 78 35 20 LEU C C 177.8 0.1 1 79 35 20 LEU CA C 58 0.1 1 80 35 20 LEU N N 118.7 0.02 1 81 36 21 LEU H H 8.05 0.02 1 82 36 21 LEU C C 178.5 0.1 1 83 36 21 LEU CA C 57.8 0.1 1 84 36 21 LEU N N 118.5 0.02 1 85 37 22 VAL H H 8 0.02 1 86 37 22 VAL C C 177.3 0.1 1 87 37 22 VAL CA C 67.3 0.1 1 88 37 22 VAL N N 118.3 0.02 1 89 38 23 ILE H H 8.06 0.02 1 90 38 23 ILE C C 177.5 0.1 1 91 38 23 ILE CA C 65.3 0.1 1 92 38 23 ILE N N 119.2 0.02 1 93 39 24 VAL H H 8.24 0.02 1 94 39 24 VAL C C 177.8 0.1 1 95 39 24 VAL CA C 66.9 0.1 1 96 39 24 VAL N N 119.5 0.02 1 97 40 25 LEU H H 8.31 0.02 1 98 40 25 LEU C C 180.2 0.1 1 99 40 25 LEU CA C 57.9 0.1 1 100 40 25 LEU N N 119.8 0.02 1 101 41 26 LEU H H 8.55 0.02 1 102 41 26 LEU C C 178.5 0.1 1 103 41 26 LEU CA C 57.8 0.1 1 104 41 26 LEU N N 121.3 0.02 1 105 42 27 ALA H H 8.75 0.02 1 106 42 27 ALA C C 179.8 0.1 1 107 42 27 ALA CA C 55 0.1 1 108 42 27 ALA N N 121.5 0.02 1 109 43 28 GLY H H 8.83 0.02 1 110 43 28 GLY C C 175.1 0.1 1 111 43 28 GLY CA C 47.1 0.1 1 112 43 28 GLY N N 105 0.02 1 113 44 29 SER H H 8.06 0.02 1 114 44 29 SER C C 175.6 0.1 1 115 44 29 SER CA C 62.9 0.1 1 116 44 29 SER N N 118 0.02 1 117 45 30 TYR H H 8.07 0.02 1 118 45 30 TYR C C 177.3 0.1 1 119 45 30 TYR CA C 61.1 0.1 1 120 45 30 TYR N N 122.6 0.02 1 121 46 31 LEU H H 8.17 0.02 1 122 46 31 LEU C C 178.7 0.1 1 123 46 31 LEU CA C 57.6 0.1 1 124 46 31 LEU N N 118.4 0.02 1 125 47 32 ALA H H 8.14 0.02 1 126 47 32 ALA C C 179.6 0.1 1 127 47 32 ALA CA C 54.9 0.1 1 128 47 32 ALA N N 121.1 0.02 1 129 48 33 VAL H H 7.84 0.02 1 130 48 33 VAL C C 178.5 0.1 1 131 48 33 VAL CA C 66 0.1 1 132 48 33 VAL N N 118.3 0.02 1 133 49 34 LEU H H 7.96 0.02 1 134 49 34 LEU C C 179.7 0.1 1 135 49 34 LEU CA C 57.5 0.1 1 136 49 34 LEU N N 120.7 0.02 1 137 50 35 ALA H H 8.15 0.02 1 138 50 35 ALA C C 179.9 0.1 1 139 50 35 ALA CA C 54.2 0.1 1 140 50 35 ALA N N 121.3 0.02 1 141 51 36 GLU H H 7.96 0.02 1 142 51 36 GLU C C 177.7 0.1 1 143 51 36 GLU CA C 57.2 0.1 1 144 51 36 GLU N N 117.2 0.02 1 145 52 37 ARG H H 7.98 0.02 1 146 52 37 ARG C C 177.2 0.1 1 147 52 37 ARG CA C 56.6 0.1 1 148 52 37 ARG N N 118 0.02 1 149 53 38 GLY H H 7.82 0.02 1 150 53 38 GLY C C 173.5 0.1 1 151 53 38 GLY CA C 45 0.1 1 152 53 38 GLY N N 108.7 0.02 1 153 54 39 ALA H H 7.82 0.02 1 154 54 39 ALA C C 175.6 0.1 1 155 54 39 ALA CA C 50.4 0.1 1 156 54 39 ALA N N 124.2 0.02 1 157 55 40 PRO C C 177.9 0.1 1 158 55 40 PRO CA C 63.5 0.1 1 159 56 41 GLY H H 8.17 0.02 1 160 56 41 GLY C C 174.3 0.1 1 161 56 41 GLY CA C 45.5 0.1 1 162 56 41 GLY N N 108.8 0.02 1 163 57 42 ALA H H 7.75 0.02 1 164 57 42 ALA C C 177.9 0.1 1 165 57 42 ALA CA C 52.8 0.1 1 166 57 42 ALA N N 122.8 0.02 1 167 58 43 GLN H H 8.01 0.02 1 168 58 43 GLN C C 176.7 0.1 1 169 58 43 GLN CA C 56.2 0.1 1 170 58 43 GLN N N 117.6 0.02 1 171 59 44 LEU H H 7.92 0.02 1 172 59 44 LEU C C 177.4 0.1 1 173 59 44 LEU CA C 56.6 0.1 1 174 59 44 LEU N N 121.8 0.02 1 175 60 45 ILE H H 7.47 0.02 1 176 60 45 ILE C C 175.5 0.1 1 177 60 45 ILE CA C 61.2 0.1 1 178 60 45 ILE N N 115.6 0.02 1 179 61 46 THR H H 7.49 0.02 1 180 61 46 THR C C 174.9 0.1 1 181 61 46 THR CA C 62.7 0.1 1 182 61 46 THR N N 114.7 0.02 1 183 62 47 TYR H H 7.74 0.02 1 184 62 47 TYR C C 174.6 0.1 1 185 62 47 TYR CA C 58.8 0.1 1 186 62 47 TYR N N 121.6 0.02 1 187 63 48 PRO C C 177.1 0.1 1 188 63 48 PRO CA C 64.9 0.1 1 189 64 49 ARG H H 7.61 0.02 1 190 64 49 ARG C C 176.9 0.1 1 191 64 49 ARG CA C 58.6 0.1 1 192 64 49 ARG N N 117.6 0.02 1 193 65 50 ALA H H 7.66 0.02 1 194 65 50 ALA C C 180 0.1 1 195 65 50 ALA CA C 54.1 0.1 1 196 65 50 ALA N N 121.2 0.02 1 197 66 51 LEU H H 7.81 0.02 1 198 66 51 LEU C C 178.4 0.1 1 199 66 51 LEU CA C 57.2 0.1 1 200 66 51 LEU N N 119.7 0.02 1 201 67 52 TRP H H 7.84 0.02 1 202 67 52 TRP C C 178.3 0.1 1 203 67 52 TRP CA C 59.4 0.1 1 204 67 52 TRP N N 120.1 0.02 1 205 68 53 TRP C C 178.7 0.1 1 206 68 53 TRP CA C 59.2 0.1 1 207 69 54 SER H H 7.91 0.02 1 208 69 54 SER C C 175.8 0.1 1 209 69 54 SER CA C 61.4 0.1 1 210 69 54 SER N N 116.6 0.02 1 211 70 55 VAL H H 7.8 0.02 1 212 70 55 VAL C C 177.8 0.1 1 213 70 55 VAL CA C 65.1 0.1 1 214 70 55 VAL N N 122 0.02 1 215 71 56 GLU H H 8.1 0.02 1 216 71 56 GLU C C 178 0.1 1 217 71 56 GLU CA C 58 0.1 1 218 71 56 GLU N N 120.3 0.02 1 219 72 57 THR H H 7.7 0.02 1 220 72 57 THR C C 175.4 0.1 1 221 72 57 THR CA C 64 0.1 1 222 72 57 THR N N 113.4 0.02 1 223 73 58 ALA H H 7.76 0.02 1 224 73 58 ALA C C 178.4 0.1 1 225 73 58 ALA CA C 53.7 0.1 1 226 73 58 ALA N N 124.7 0.02 1 227 74 59 THR H H 7.71 0.02 1 228 74 59 THR C C 175.3 0.1 1 229 74 59 THR CA C 62.6 0.1 1 230 74 59 THR N N 109.8 0.02 1 231 75 60 THR H H 7.71 0.02 1 232 75 60 THR C C 175.1 0.1 1 233 75 60 THR CA C 62.6 0.1 1 234 75 60 THR N N 115 0.02 1 235 76 61 VAL H H 7.68 0.02 1 236 76 61 VAL C C 176.4 0.1 1 237 76 61 VAL CA C 62.6 0.1 1 238 76 61 VAL N N 120.8 0.02 1 239 77 62 GLY H H 7.89 0.02 1 240 77 62 GLY C C 174.1 0.1 1 241 77 62 GLY CA C 45 0.1 1 242 77 62 GLY N N 110.4 0.02 1 243 78 63 TYR H H 7.75 0.02 1 244 78 63 TYR C C 176.5 0.1 1 245 78 63 TYR CA C 58.3 0.1 1 246 78 63 TYR N N 119.9 0.02 1 247 79 64 GLY H H 8.08 0.02 1 248 79 64 GLY C C 174.2 0.1 1 249 79 64 GLY CA C 45.6 0.1 1 250 79 64 GLY N N 109.5 0.02 1 251 80 65 ASP H H 7.88 0.02 1 252 80 65 ASP C C 175.5 0.1 1 253 80 65 ASP CA C 53.8 0.1 1 254 80 65 ASP N N 119.4 0.02 1 255 81 66 LEU H H 7.71 0.02 1 256 81 66 LEU C C 176.2 0.1 1 257 81 66 LEU CA C 55.1 0.1 1 258 81 66 LEU N N 120.8 0.02 1 259 82 67 TYR H H 7.69 0.02 1 260 82 67 TYR C C 174.4 0.1 1 261 82 67 TYR CA C 59.1 0.1 1 262 82 67 TYR N N 120.1 0.02 1 263 83 68 PRO C C 176.8 0.1 1 264 83 68 PRO CA C 63.7 0.1 1 265 84 69 VAL H H 7.73 0.02 1 266 84 69 VAL C C 177.2 0.1 1 267 84 69 VAL CA C 63.5 0.1 1 268 84 69 VAL N N 118 0.02 1 269 85 70 THR H H 7.68 0.02 1 270 85 70 THR C C 177.4 0.1 1 271 85 70 THR CA C 62.8 0.1 1 272 85 70 THR N N 115.2 0.02 1 273 86 71 LEU H H 7.84 0.02 1 274 86 71 LEU C C 178.2 0.1 1 275 86 71 LEU CA C 57.3 0.1 1 276 86 71 LEU N N 123.1 0.02 1 277 87 72 TRP H H 7.7 0.02 1 278 87 72 TRP C C 177.5 0.1 1 279 87 72 TRP CA C 59.3 0.1 1 280 87 72 TRP N N 118.4 0.02 1 281 88 73 GLY H H 7.93 0.02 1 282 88 73 GLY C C 176.4 0.1 1 283 88 73 GLY CA C 46.8 0.1 1 284 88 73 GLY N N 105.5 0.02 1 285 89 74 ARG H H 7.68 0.02 1 286 89 74 ARG C C 177.6 0.1 1 287 89 74 ARG CA C 58.5 0.1 1 288 89 74 ARG N N 121.2 0.02 1 289 90 75 LEU H H 7.84 0.02 1 290 90 75 LEU C C 178.5 0.1 1 291 90 75 LEU CA C 57.8 0.1 1 292 90 75 LEU N N 119.9 0.02 1 293 91 76 VAL H H 8.01 0.02 1 294 91 76 VAL C C 177.1 0.1 1 295 91 76 VAL CA C 66.6 0.1 1 296 91 76 VAL N N 118.1 0.02 1 297 92 77 ALA H H 7.45 0.02 1 298 92 77 ALA C C 180.2 0.1 1 299 92 77 ALA CA C 55 0.1 1 300 92 77 ALA N N 119.8 0.02 1 301 93 78 VAL H H 7.68 0.02 1 302 93 78 VAL C C 177.4 0.1 1 303 93 78 VAL CA C 66.1 0.1 1 304 93 78 VAL N N 117.5 0.02 1 305 94 79 VAL H H 7.93 0.02 1 306 94 79 VAL C C 177.6 0.1 1 307 94 79 VAL CA C 67 0.1 1 308 94 79 VAL N N 120.4 0.02 1 309 95 80 VAL H H 8.19 0.02 1 310 95 80 VAL C C 178.3 0.1 1 311 95 80 VAL CA C 66.3 0.1 1 312 95 80 VAL N N 118.1 0.02 1 313 96 81 MET H H 7.66 0.02 1 314 96 81 MET C C 175.4 0.1 1 315 96 81 MET CA C 55.7 0.1 1 316 96 81 MET N N 120.1 0.02 1 317 97 82 VAL H H 8.22 0.02 1 318 97 82 VAL C C 175.7 0.1 1 319 97 82 VAL CA C 62.1 0.1 1 320 97 82 VAL N N 119 0.02 1 321 98 83 ALA H H 8.28 0.02 1 322 98 83 ALA CA C 52.8 0.1 1 323 98 83 ALA N N 122.1 0.02 1 324 99 84 GLY C C 173.9 0.1 1 325 100 85 ILE H H 7.62 0.02 1 326 100 85 ILE C C 175.6 0.1 1 327 100 85 ILE CA C 61 0.1 1 328 100 85 ILE N N 119.6 0.02 1 329 101 86 THR H H 7.81 0.02 1 330 101 86 THR C C 174.7 0.1 1 331 101 86 THR CA C 61.6 0.1 1 332 101 86 THR N N 115.4 0.02 1 333 102 87 SER H H 7.75 0.02 1 334 102 87 SER C C 175 0.1 1 335 102 87 SER CA C 58.3 0.1 1 336 102 87 SER N N 115.8 0.02 1 337 103 88 PHE H H 8.25 0.02 1 338 103 88 PHE C C 177.7 0.1 1 339 103 88 PHE CA C 60.1 0.1 1 340 103 88 PHE N N 122.6 0.02 1 341 104 89 GLY H H 8.39 0.02 1 342 104 89 GLY C C 175.4 0.1 1 343 104 89 GLY CA C 46.6 0.1 1 344 104 89 GLY N N 108.8 0.02 1 345 105 90 LEU H H 7.78 0.02 1 346 105 90 LEU C C 179.1 0.1 1 347 105 90 LEU CA C 57.4 0.1 1 348 105 90 LEU N N 121.7 0.02 1 349 106 91 VAL H H 7.8 0.02 1 350 106 91 VAL C C 177.7 0.1 1 351 106 91 VAL CA C 65.9 0.1 1 352 106 91 VAL N N 118.8 0.02 1 353 107 92 THR H H 7.93 0.02 1 354 107 92 THR C C 176.7 0.1 1 355 107 92 THR CA C 65.9 0.1 1 356 107 92 THR N N 113 0.02 1 357 108 93 ALA H H 7.71 0.02 1 358 108 93 ALA C C 180.3 0.1 1 359 108 93 ALA CA C 54.8 0.1 1 360 108 93 ALA N N 123.5 0.02 1 361 109 94 ALA H H 7.83 0.02 1 362 109 94 ALA C C 180.1 0.1 1 363 109 94 ALA CA C 54.8 0.1 1 364 109 94 ALA N N 122.3 0.02 1 365 110 95 LEU H H 8.19 0.02 1 366 110 95 LEU C C 178.8 0.1 1 367 110 95 LEU CA C 57.7 0.1 1 368 110 95 LEU N N 119 0.02 1 369 111 96 ALA H H 8.31 0.02 1 370 111 96 ALA C C 179.6 0.1 1 371 111 96 ALA CA C 55.4 0.1 1 372 111 96 ALA N N 121 0.02 1 373 112 97 THR H H 7.89 0.02 1 374 112 97 THR C C 176.7 0.1 1 375 112 97 THR CA C 66.1 0.1 1 376 112 97 THR N N 113.3 0.02 1 377 113 98 TRP H H 8.11 0.02 1 378 113 98 TRP C C 178 0.1 1 379 113 98 TRP CA C 60.7 0.1 1 380 113 98 TRP N N 123.9 0.02 1 381 114 99 PHE H H 8.52 0.02 1 382 114 99 PHE C C 177.8 0.1 1 383 114 99 PHE CA C 61.1 0.1 1 384 114 99 PHE N N 118.5 0.02 1 385 115 100 VAL H H 8.08 0.02 1 386 115 100 VAL C C 178 0.1 1 387 115 100 VAL CA C 64.9 0.1 1 388 115 100 VAL N N 117.9 0.02 1 389 116 101 GLY H H 7.72 0.02 1 390 116 101 GLY C C 175.3 0.1 1 391 116 101 GLY CA C 45.8 0.1 1 392 116 101 GLY N N 108.8 0.02 1 393 117 102 ARG H H 7.35 0.02 1 394 117 102 ARG C C 177.2 0.1 1 395 117 102 ARG CA C 56.5 0.1 1 396 117 102 ARG N N 120.6 0.02 1 397 118 103 GLU H H 7.93 0.02 1 398 118 103 GLU C C 177 0.1 1 399 118 103 GLU CA C 56.9 0.1 1 400 118 103 GLU N N 119.9 0.02 1 401 119 104 GLN H H 7.91 0.02 1 402 119 104 GLN C C 176.6 0.1 1 403 119 104 GLN CA C 56.8 0.1 1 404 119 104 GLN N N 119 0.02 1 405 120 105 GLU H H 7.87 0.02 1 406 120 105 GLU C C 176.4 0.1 1 407 120 105 GLU CA C 56.3 0.1 1 408 120 105 GLU N N 119.5 0.02 1 409 121 106 ARG H H 7.85 0.1 1 410 121 106 ARG C C 176.6 0.1 1 411 121 106 ARG CA C 56.2 0.1 1 412 121 106 ARG N N 120.5 0.1 1 413 122 107 ARG H H 7.91 0.1 1 414 122 107 ARG C C 176.9 0.1 1 415 122 107 ARG CA C 56.5 0.1 1 416 122 107 ARG N N 120.5 0.1 1 417 123 108 GLY H H 8 0.1 1 418 123 108 GLY C C 174.1 0.1 1 419 123 108 GLY CA C 45.3 0.1 1 420 123 108 GLY N N 108.8 0.1 1 421 124 109 HIS H H 7.93 0.1 1 422 124 109 HIS C C 174.4 0.1 1 423 124 109 HIS CA C 55.6 0.1 1 424 124 109 HIS N N 117.3 0.1 1 425 125 110 PHE H H 8.01 0.1 1 426 125 110 PHE C C 175.8 0.1 1 427 125 110 PHE CA C 58.6 0.1 1 428 125 110 PHE N N 120.3 0.1 1 429 126 111 VAL H H 7.63 0.1 1 430 126 111 VAL C C 176 0.1 1 431 126 111 VAL CA C 62.7 0.1 1 432 126 111 VAL N N 120 0.1 1 433 127 112 ARG H H 7.84 0.1 1 434 127 112 ARG C C 176.8 0.1 1 435 127 112 ARG CA C 56.6 0.1 1 436 127 112 ARG N N 121.9 0.1 1 437 128 113 HIS H H 8.12 0.1 1 438 128 113 HIS C C 174.8 0.1 1 439 128 113 HIS CA C 55.9 0.1 1 440 128 113 HIS N N 118.2 0.1 1 441 129 114 SER H H 7.99 0.1 1 442 129 114 SER C C 175 0.1 1 443 129 114 SER CA C 58.9 0.1 1 444 129 114 SER N N 116 0.1 1 445 130 115 GLU H H 8.23 0.1 1 446 130 115 GLU C C 176.9 0.1 1 447 130 115 GLU CA C 57.1 0.1 1 448 130 115 GLU N N 122.6 0.1 1 449 131 116 LYS H H 7.92 0.1 1 450 131 116 LYS C C 177.2 0.1 1 451 131 116 LYS CA C 57.1 0.1 1 452 131 116 LYS N N 120.9 0.1 1 453 132 117 ALA H H 7.9 0.1 1 454 132 117 ALA C C 178.5 0.1 1 455 132 117 ALA CA C 53.5 0.1 1 456 132 117 ALA N N 123.5 0.1 1 457 133 118 ALA H H 7.91 0.1 1 458 133 118 ALA C C 178.5 0.1 1 459 133 118 ALA CA C 53.6 0.1 1 460 133 118 ALA N N 121.6 0.1 1 461 134 119 GLU H H 7.96 0.1 1 462 134 119 GLU C C 177.7 0.1 1 463 134 119 GLU CA C 57.6 0.1 1 464 134 119 GLU N N 118 0.1 1 465 135 120 GLU H H 8.02 0.1 1 466 135 120 GLU C C 177.1 0.1 1 467 135 120 GLU CA C 57.1 0.1 1 468 135 120 GLU N N 120.2 0.1 1 469 136 121 ALA H H 8.02 0.1 1 470 136 121 ALA C C 178.7 0.1 1 471 136 121 ALA CA C 53.7 0.1 1 472 136 121 ALA N N 123.2 0.1 1 473 137 122 TYR H H 8.07 0.1 1 474 137 122 TYR C C 176.9 0.1 1 475 137 122 TYR CA C 59.5 0.1 1 476 137 122 TYR N N 119.5 0.1 1 477 138 123 THR H H 7.94 0.1 1 478 138 123 THR C C 175.4 0.1 1 479 138 123 THR CA C 63.5 0.1 1 480 138 123 THR N N 115.7 0.1 1 481 139 124 ARG H H 8 0.1 1 482 139 124 ARG C C 177.5 0.1 1 483 139 124 ARG CA C 57.5 0.1 1 484 139 124 ARG N N 122.2 0.1 1 485 140 125 THR H H 7.9 0.1 1 486 140 125 THR C C 175.5 0.1 1 487 140 125 THR CA C 64.1 0.1 1 488 140 125 THR N N 115.2 0.1 1 489 141 126 THR H H 7.92 0.1 1 490 141 126 THR C C 175.9 0.1 1 491 141 126 THR CA C 63.6 0.1 1 492 141 126 THR N N 114.8 0.1 1 493 142 127 ARG H H 7.87 0.1 1 494 142 127 ARG C C 177.4 0.1 1 495 142 127 ARG CA C 57.4 0.1 1 496 142 127 ARG N N 123.1 0.1 1 497 143 128 ALA H H 7.83 0.1 1 498 143 128 ALA C C 179.2 0.1 1 499 143 128 ALA CA C 53.5 0.1 1 500 143 128 ALA N N 123 0.1 1 501 144 129 LEU H H 7.94 0.1 1 502 144 129 LEU C C 178.3 0.1 1 503 144 129 LEU CA C 57 0.1 1 504 144 129 LEU N N 119.1 0.1 1 505 145 130 HIS H H 8.1 0.1 1 506 145 130 HIS C C 176.2 0.1 1 507 145 130 HIS CA C 57.8 0.1 1 508 145 130 HIS N N 116.6 0.1 1 509 146 131 GLU H H 7.98 0.1 1 510 146 131 GLU C C 178.1 0.1 1 511 146 131 GLU CA C 59.2 0.1 1 512 146 131 GLU N N 118.7 0.1 1 513 147 132 ARG H H 7.76 0.1 1 514 147 132 ARG C C 177.4 0.1 1 515 147 132 ARG CA C 57.6 0.1 1 516 147 132 ARG N N 118.9 0.1 1 517 148 133 PHE H H 7.97 0.1 1 518 148 133 PHE C C 176.6 0.1 1 519 148 133 PHE CA C 59.2 0.1 1 520 148 133 PHE N N 118.9 0.1 1 521 149 134 ASP H H 8.07 0.1 1 522 149 134 ASP C C 178.1 0.1 1 523 149 134 ASP CA C 56.6 0.1 1 524 149 134 ASP N N 119.8 0.1 1 525 150 135 ARG H H 7.8 0.1 1 526 150 135 ARG C C 178.4 0.1 1 527 150 135 ARG CA C 58.8 0.1 1 528 150 135 ARG N N 119.2 0.1 1 529 151 136 LEU H H 7.64 0.1 1 530 151 136 LEU C C 178.2 0.1 1 531 151 136 LEU CA C 57.3 0.1 1 532 151 136 LEU N N 120.4 0.1 1 533 152 137 GLU H H 8.11 0.1 1 534 152 137 GLU C C 178.4 0.1 1 535 152 137 GLU CA C 58.9 0.1 1 536 152 137 GLU N N 118.1 0.1 1 537 153 138 ARG H H 7.66 0.1 1 538 153 138 ARG C C 178.2 0.1 1 539 153 138 ARG CA C 58.3 0.1 1 540 153 138 ARG N N 118.3 0.1 1 541 154 139 MET H H 7.69 0.1 1 542 154 139 MET C C 178.1 0.1 1 543 154 139 MET CA C 58 0.1 1 544 154 139 MET N N 119 0.1 1 545 155 140 LEU H H 7.76 0.1 1 546 155 140 LEU C C 178.3 0.1 1 547 155 140 LEU CA C 57.7 0.1 1 548 155 140 LEU N N 118.9 0.1 1 549 156 141 ASP H H 7.97 0.1 1 550 156 141 ASP C C 177.2 0.1 1 551 156 141 ASP CA C 55 0.1 1 552 156 141 ASP N N 118.7 0.1 1 553 157 142 ASP H H 8.04 0.1 1 554 157 142 ASP C C 176.5 0.1 1 555 157 142 ASP CA C 54.7 0.1 1 556 157 142 ASP N N 118.9 0.1 1 557 158 143 ASN H H 7.89 0.1 1 558 158 143 ASN C C 175 0.1 1 559 158 143 ASN CA C 53.8 0.1 1 560 158 143 ASN N N 117.7 0.1 1 561 159 144 ARG H H 7.72 0.1 1 562 159 144 ARG C C 175.8 0.1 1 563 159 144 ARG CA C 56.2 0.1 1 564 159 144 ARG N N 120 0.1 1 565 160 145 ARG H H 7.64 0.1 1 566 160 145 ARG C C 180.5 0.1 1 567 160 145 ARG CA C 56.9 0.1 1 568 160 145 ARG N N 125.8 0.1 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HN(CA)CO' '3D HNCA' stop_ loop_ _Sample_label $sample_3_for_TableS4 $sample_1_for_TableS2 $sample_2_for_TableS3 stop_ _Sample_conditions_label $sample_conditions_3 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KcsA _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 16 1 LEU H H 8.28 0.02 1 2 16 1 LEU C C 177.1 0.1 1 3 16 1 LEU CA C 56.3 0.1 1 4 16 1 LEU N N 122.2 0.02 1 5 17 2 LEU H H 7.73 0.02 1 6 17 2 LEU C C 177.6 0.1 1 7 17 2 LEU CA C 54.9 0.1 1 8 17 2 LEU N N 118 0.02 1 9 18 3 GLY H H 7.98 0.02 1 10 18 3 GLY C C 174.8 0.1 1 11 18 3 GLY CA C 45.4 0.1 1 12 18 3 GLY N N 108 0.02 1 13 19 4 ARG H H 7.8 0.02 1 14 19 4 ARG CA C 56.2 0.1 1 15 19 4 ARG N N 119.7 0.02 1 16 22 7 SER C C 174.1 0.1 1 17 22 7 SER CA C 58.2 0.1 1 18 23 8 ALA H H 8 0.02 1 19 23 8 ALA C C 177.1 0.1 1 20 23 8 ALA CA C 52.2 0.1 1 21 23 8 ALA N N 125 0.02 1 22 24 9 LEU H H 7.69 0.02 1 23 24 9 LEU C C 177.2 0.1 1 24 24 9 LEU CA C 55.1 0.1 1 25 24 9 LEU N N 119.9 0.02 1 26 25 10 HIS H H 8.03 0.02 1 27 25 10 HIS C C 175.4 0.1 1 28 25 10 HIS CA C 55.1 0.1 1 29 25 10 HIS N N 119.2 0.02 1 30 26 11 TRP H H 7.63 0.02 1 31 26 11 TRP C C 176.2 0.1 1 32 26 11 TRP CA C 59.1 0.1 1 33 26 11 TRP N N 120.6 0.02 1 34 27 12 ARG H H 7.8 0.02 1 35 27 12 ARG C C 177.4 0.1 1 36 27 12 ARG CA C 59.1 0.1 1 37 27 12 ARG N N 120.5 0.02 1 38 28 13 ALA H H 7.64 0.02 1 39 28 13 ALA C C 178.5 0.1 1 40 28 13 ALA CA C 54.4 0.1 1 41 28 13 ALA N N 121 0.02 1 42 29 14 ALA H H 7.91 0.02 1 43 29 14 ALA C C 180.3 0.1 1 44 29 14 ALA CA C 54.5 0.1 1 45 29 14 ALA N N 118.6 0.02 1 46 30 15 GLY H H 8.59 0.02 1 47 30 15 GLY C C 174.3 0.1 1 48 30 15 GLY CA C 47 0.1 1 49 30 15 GLY N N 107.7 0.02 1 50 31 16 ALA H H 8.18 0.02 1 51 31 16 ALA C C 178.4 0.1 1 52 31 16 ALA CA C 55 0.1 1 53 31 16 ALA N N 123.9 0.02 1 54 32 17 ALA H H 8.21 0.02 1 55 32 17 ALA C C 178.3 0.1 1 56 32 17 ALA CA C 54.8 0.1 1 57 32 17 ALA N N 117.9 0.02 1 58 33 18 THR H H 7.71 0.02 1 59 33 18 THR C C 175.8 0.1 1 60 33 18 THR CA C 67.7 0.1 1 61 33 18 THR N N 113.8 0.02 1 62 34 19 VAL H H 7.78 0.02 1 63 34 19 VAL C C 177.1 0.1 1 64 34 19 VAL CA C 66.7 0.1 1 65 34 19 VAL N N 120.2 0.02 1 66 35 20 LEU H H 7.89 0.02 1 67 35 20 LEU C C 178.2 0.1 1 68 35 20 LEU CA C 57.9 0.1 1 69 35 20 LEU N N 118.8 0.02 1 70 36 21 LEU H H 8.09 0.02 1 71 36 21 LEU C C 178.2 0.1 1 72 36 21 LEU CA C 57.9 0.1 1 73 36 21 LEU N N 118.7 0.02 1 74 37 22 VAL H H 8.03 0.02 1 75 37 22 VAL C C 177.5 0.1 1 76 37 22 VAL CA C 67 0.1 1 77 37 22 VAL N N 118.2 0.02 1 78 38 23 ILE H H 8.11 0.02 1 79 38 23 ILE C C 177.5 0.1 1 80 38 23 ILE CA C 65.5 0.1 1 81 38 23 ILE N N 119.2 0.02 1 82 39 24 VAL H H 8.29 0.02 1 83 39 24 VAL C C 177.9 0.1 1 84 39 24 VAL CA C 66.8 0.1 1 85 39 24 VAL N N 119.5 0.02 1 86 40 25 LEU H H 8.34 0.02 1 87 40 25 LEU C C 180.1 0.1 1 88 40 25 LEU CA C 57.8 0.1 1 89 40 25 LEU N N 119.9 0.02 1 90 41 26 LEU H H 8.58 0.02 1 91 41 26 LEU C C 178.6 0.1 1 92 41 26 LEU CA C 57.7 0.1 1 93 41 26 LEU N N 121 0.02 1 94 42 27 ALA H H 8.82 0.02 1 95 42 27 ALA C C 179.7 0.1 1 96 42 27 ALA CA C 54.8 0.1 1 97 42 27 ALA N N 121.6 0.02 1 98 43 28 GLY H H 8.79 0.02 1 99 43 28 GLY C C 175.2 0.1 1 100 43 28 GLY CA C 47 0.1 1 101 43 28 GLY N N 105 0.02 1 102 44 29 SER H H 8.07 0.02 1 103 44 29 SER C C 175.7 0.1 1 104 44 29 SER CA C 62.9 0.1 1 105 44 29 SER N N 117.6 0.02 1 106 45 30 TYR H H 8.13 0.02 1 107 45 30 TYR C C 177.3 0.1 1 108 45 30 TYR CA C 60.9 0.1 1 109 45 30 TYR N N 122.5 0.02 1 110 46 31 LEU H H 8.21 0.02 1 111 46 31 LEU C C 178.5 0.1 1 112 46 31 LEU CA C 57.3 0.1 1 113 46 31 LEU N N 118.7 0.02 1 114 47 32 ALA H H 8.05 0.02 1 115 47 32 ALA C C 179.7 0.1 1 116 47 32 ALA CA C 54.5 0.1 1 117 47 32 ALA N N 120.7 0.02 1 118 48 33 VAL H H 7.7 0.02 1 119 48 33 VAL C C 178.2 0.1 1 120 48 33 VAL CA C 64.9 0.1 1 121 48 33 VAL N N 117.4 0.02 1 122 49 34 LEU H H 7.88 0.02 1 123 49 34 LEU C C 178.9 0.1 1 124 49 34 LEU CA C 56.8 0.1 1 125 49 34 LEU N N 120.9 0.02 1 126 50 35 ALA H H 7.97 0.02 1 127 50 35 ALA C C 179.1 0.1 1 128 50 35 ALA CA C 53.7 0.1 1 129 50 35 ALA N N 121.2 0.02 1 130 51 36 GLU H H 7.81 0.02 1 131 51 36 GLU C C 177.4 0.1 1 132 51 36 GLU CA C 57.2 0.1 1 133 51 36 GLU N N 117.8 0.02 1 134 52 37 ARG H H 7.92 0.02 1 135 52 37 ARG C C 177 0.1 1 136 52 37 ARG CA C 56.2 0.1 1 137 52 37 ARG N N 118.3 0.02 1 138 53 38 GLY H H 7.88 0.02 1 139 53 38 GLY C C 173.2 0.1 1 140 53 38 GLY CA C 44.8 0.1 1 141 53 38 GLY N N 108.4 0.02 1 142 54 39 ALA H H 7.84 0.02 1 143 54 39 ALA C C 175.5 0.1 1 144 54 39 ALA CA C 50.3 0.1 1 145 54 39 ALA N N 124 0.02 1 146 55 40 PRO C C 177.6 0.1 1 147 55 40 PRO CA C 63.4 0.1 1 148 56 41 GLY H H 8.21 0.02 1 149 56 41 GLY C C 174.3 0.1 1 150 56 41 GLY CA C 45.4 0.1 1 151 56 41 GLY N N 108.5 0.02 1 152 57 42 ALA H H 7.76 0.02 1 153 57 42 ALA C C 177.9 0.1 1 154 57 42 ALA CA C 52.8 0.1 1 155 57 42 ALA N N 122.7 0.02 1 156 58 43 GLN H H 8.04 0.02 1 157 58 43 GLN C C 176.6 0.1 1 158 58 43 GLN CA C 56.2 0.1 1 159 58 43 GLN N N 117.3 0.02 1 160 59 44 LEU H H 7.91 0.02 1 161 59 44 LEU C C 177.2 0.1 1 162 59 44 LEU CA C 56.3 0.1 1 163 59 44 LEU N N 121.6 0.02 1 164 60 45 ILE H H 7.46 0.02 1 165 60 45 ILE C C 175.4 0.1 1 166 60 45 ILE CA C 61 0.1 1 167 60 45 ILE N N 115.6 0.02 1 168 61 46 THR H H 7.54 0.02 1 169 61 46 THR C C 174.4 0.1 1 170 61 46 THR CA C 62 0.1 1 171 61 46 THR N N 114.7 0.02 1 172 62 47 TYR H H 7.7 0.02 1 173 62 47 TYR C C 174.4 0.1 1 174 62 47 TYR CA C 57.7 0.1 1 175 62 47 TYR N N 122.2 0.02 1 176 63 48 PRO C C 176.9 0.1 1 177 63 48 PRO CA C 64.2 0.1 1 178 64 49 ARG H H 7.66 0.02 1 179 64 49 ARG C C 176.5 0.1 1 180 64 49 ARG CA C 57.5 0.1 1 181 64 49 ARG N N 118.2 0.02 1 182 65 50 ALA H H 7.71 0.02 1 183 65 50 ALA C C 178.9 0.1 1 184 65 50 ALA CA C 53.2 0.1 1 185 65 50 ALA N N 121.2 0.02 1 186 66 51 LEU H H 7.7 0.02 1 187 66 51 LEU C C 178 0.1 1 188 66 51 LEU CA C 56.2 0.1 1 189 66 51 LEU N N 118.9 0.02 1 190 67 52 TRP H H 7.59 0.02 1 191 67 52 TRP C C 176.7 0.1 1 192 67 52 TRP CA C 58.6 0.1 1 193 67 52 TRP N N 119.4 0.02 1 194 68 53 TRP H H 7.61 0.02 1 195 68 53 TRP C C 177.1 0.1 1 196 68 53 TRP CA C 58 0.1 1 197 68 53 TRP N N 119.3 0.02 1 198 69 54 SER H H 7.75 0.02 1 199 69 54 SER C C 175 0.1 1 200 69 54 SER CA C 59.3 0.1 1 201 69 54 SER N N 116.3 0.02 1 202 70 55 VAL H H 7.73 0.02 1 203 70 55 VAL C C 177 0.1 1 204 70 55 VAL CA C 63.7 0.1 1 205 70 55 VAL N N 121.9 0.02 1 206 71 56 GLU H H 8.15 0.02 1 207 71 56 GLU C C 177.7 0.1 1 208 71 56 GLU CA C 57.7 0.1 1 209 71 56 GLU N N 122.2 0.02 1 210 72 57 THR H H 7.75 0.02 1 211 72 57 THR C C 175 0.1 1 212 72 57 THR CA C 63 0.1 1 213 72 57 THR N N 114.2 0.02 1 214 73 58 ALA H H 7.93 0.02 1 215 73 58 ALA C C 178.1 0.1 1 216 73 58 ALA CA C 53.3 0.1 1 217 73 58 ALA N N 124.9 0.02 1 218 74 59 THR H H 7.77 0.02 1 219 74 59 THR C C 175.1 0.1 1 220 74 59 THR CA C 62.3 0.1 1 221 74 59 THR N N 110.5 0.02 1 222 75 60 THR H H 7.78 0.02 1 223 75 60 THR C C 174.8 0.1 1 224 75 60 THR CA C 62.2 0.1 1 225 75 60 THR N N 115.4 0.02 1 226 76 61 VAL H H 7.73 0.02 1 227 76 61 VAL C C 176.2 0.1 1 228 76 61 VAL CA C 62.3 0.1 1 229 76 61 VAL N N 120.8 0.02 1 230 77 62 GLY H H 7.97 0.02 1 231 77 62 GLY C C 174 0.1 1 232 77 62 GLY CA C 44.9 0.1 1 233 77 62 GLY N N 110.6 0.02 1 234 78 63 TYR H H 7.78 0.02 1 235 78 63 TYR C C 176.4 0.1 1 236 78 63 TYR CA C 58.1 0.1 1 237 78 63 TYR N N 119.9 0.02 1 238 79 64 GLY H H 8.11 0.02 1 239 79 64 GLY C C 174.1 0.1 1 240 79 64 GLY CA C 45.5 0.1 1 241 79 64 GLY N N 109.5 0.02 1 242 80 65 ASP H H 7.92 0.02 1 243 80 65 ASP C C 175.8 0.1 1 244 80 65 ASP CA C 54.3 0.1 1 245 80 65 ASP N N 120.1 0.02 1 246 81 66 LEU H H 7.72 0.02 1 247 81 66 LEU C C 177.6 0.1 1 248 81 66 LEU CA C 54.9 0.1 1 249 81 66 LEU N N 120.8 0.02 1 250 82 67 TYR H H 7.82 0.02 1 251 82 67 TYR C C 177.4 0.1 1 252 82 67 TYR CA C 56 0.1 1 253 82 67 TYR N N 120.3 0.02 1 254 83 68 PRO C C 176.7 0.1 1 255 83 68 PRO CA C 63.7 0.1 1 256 84 69 VAL H H 7.77 0.02 1 257 84 69 VAL C C 177.1 0.1 1 258 84 69 VAL CA C 63.5 0.1 1 259 84 69 VAL N N 117.9 0.02 1 260 85 70 THR H H 7.7 0.02 1 261 85 70 THR C C 175.9 0.1 1 262 85 70 THR CA C 62.7 0.1 1 263 85 70 THR N N 115.2 0.02 1 264 86 71 LEU H H 7.93 0.02 1 265 86 71 LEU C C 177.2 0.1 1 266 86 71 LEU CA C 57.4 0.1 1 267 86 71 LEU N N 123.3 0.02 1 268 87 72 TRP H H 7.75 0.02 1 269 87 72 TRP C C 177.4 0.1 1 270 87 72 TRP CA C 59.2 0.1 1 271 87 72 TRP N N 118.2 0.02 1 272 88 73 GLY H H 7.94 0.02 1 273 88 73 GLY C C 176.5 0.1 1 274 88 73 GLY CA C 46.7 0.1 1 275 88 73 GLY N N 105.2 0.02 1 276 89 74 ARG H H 7.71 0.02 1 277 89 74 ARG C C 177.6 0.1 1 278 89 74 ARG CA C 58.2 0.1 1 279 89 74 ARG N N 121.3 0.02 1 280 90 75 LEU H H 7.87 0.02 1 281 90 75 LEU C C 178.5 0.1 1 282 90 75 LEU CA C 57.7 0.1 1 283 90 75 LEU N N 119.9 0.02 1 284 91 76 VAL H H 8.03 0.02 1 285 91 76 VAL C C 177 0.1 1 286 91 76 VAL CA C 66.4 0.1 1 287 91 76 VAL N N 118.1 0.02 1 288 92 77 ALA H H 7.44 0.02 1 289 92 77 ALA C C 180.4 0.1 1 290 92 77 ALA CA C 54.7 0.1 1 291 92 77 ALA N N 119.7 0.02 1 292 93 78 VAL H H 7.71 0.02 1 293 93 78 VAL C C 177.3 0.1 1 294 93 78 VAL CA C 65.8 0.1 1 295 93 78 VAL N N 117.6 0.02 1 296 94 79 VAL H H 7.94 0.02 1 297 94 79 VAL C C 177.6 0.1 1 298 94 79 VAL CA C 66.8 0.1 1 299 94 79 VAL N N 120.4 0.02 1 300 95 80 VAL H H 8.2 0.02 1 301 95 80 VAL C C 178.6 0.1 1 302 95 80 VAL CA C 66 0.1 1 303 95 80 VAL N N 117.9 0.02 1 304 96 81 MET H H 7.75 0.02 1 305 96 81 MET C C 178.9 0.1 1 306 96 81 MET CA C 58.4 0.1 1 307 96 81 MET N N 120 0.02 1 308 97 82 VAL H H 8.29 0.02 1 309 97 82 VAL C C 177.8 0.1 1 310 97 82 VAL CA C 65.3 0.1 1 311 97 82 VAL N N 119 0.02 1 312 98 83 ALA H H 8.35 0.02 1 313 98 83 ALA CA C 53.9 0.1 1 314 98 83 ALA N N 122.4 0.02 1 315 99 84 GLY C C 175.1 0.1 1 316 99 84 GLY CA C 45.6 0.1 1 317 100 85 ILE H H 7.72 0.02 1 318 100 85 ILE C C 176.8 0.1 1 319 100 85 ILE CA C 62.2 0.1 1 320 100 85 ILE N N 119.7 0.02 1 321 101 86 THR H H 7.86 0.02 1 322 101 86 THR C C 174.9 0.1 1 323 101 86 THR CA C 62.6 0.1 1 324 101 86 THR N N 115.1 0.02 1 325 102 87 SER H H 7.8 0.02 1 326 102 87 SER C C 174.9 0.1 1 327 102 87 SER CA C 58.4 0.1 1 328 102 87 SER N N 116.2 0.02 1 329 103 88 PHE H H 8.25 0.02 1 330 103 88 PHE C C 177.5 0.1 1 331 103 88 PHE CA C 59.8 0.1 1 332 103 88 PHE N N 122.1 0.02 1 333 104 89 GLY H H 8.35 0.02 1 334 104 89 GLY C C 175.6 0.1 1 335 104 89 GLY CA C 46.4 0.1 1 336 104 89 GLY N N 108.5 0.02 1 337 105 90 LEU H H 7.75 0.02 1 338 105 90 LEU C C 179.1 0.1 1 339 105 90 LEU CA C 57.2 0.1 1 340 105 90 LEU N N 121.6 0.02 1 341 106 91 VAL H H 7.77 0.02 1 342 106 91 VAL C C 177.6 0.1 1 343 106 91 VAL CA C 65.7 0.1 1 344 106 91 VAL N N 118.8 0.02 1 345 107 92 THR H H 7.95 0.02 1 346 107 92 THR C C 176.7 0.1 1 347 107 92 THR CA C 65.7 0.1 1 348 107 92 THR N N 112.4 0.02 1 349 108 93 ALA H H 7.66 0.02 1 350 108 93 ALA C C 180.2 0.1 1 351 108 93 ALA CA C 54.5 0.1 1 352 108 93 ALA N N 123.5 0.02 1 353 109 94 ALA H H 7.79 0.02 1 354 109 94 ALA C C 180.1 0.1 1 355 109 94 ALA CA C 54.6 0.1 1 356 109 94 ALA N N 122.2 0.02 1 357 110 95 LEU H H 8.16 0.02 1 358 110 95 LEU C C 178.6 0.1 1 359 110 95 LEU CA C 57.5 0.1 1 360 110 95 LEU N N 118.8 0.02 1 361 111 96 ALA H H 8.22 0.02 1 362 111 96 ALA C C 179.6 0.1 1 363 111 96 ALA CA C 55.1 0.1 1 364 111 96 ALA N N 120.8 0.02 1 365 112 97 THR H H 7.86 0.02 1 366 112 97 THR C C 176.4 0.1 1 367 112 97 THR CA C 65.6 0.1 1 368 112 97 THR N N 113.2 0.02 1 369 113 98 TRP H H 8.06 0.02 1 370 113 98 TRP C C 177.7 0.1 1 371 113 98 TRP CA C 60.3 0.1 1 372 113 98 TRP N N 123.4 0.02 1 373 114 99 PHE H H 8.41 0.02 1 374 114 99 PHE C C 177.7 0.1 1 375 114 99 PHE CA C 60.6 0.1 1 376 114 99 PHE N N 117.8 0.02 1 377 115 100 VAL H H 7.95 0.02 1 378 115 100 VAL C C 177.5 0.1 1 379 115 100 VAL CA C 63.9 0.1 1 380 115 100 VAL N N 117.3 0.02 1 381 116 101 GLY H H 7.75 0.02 1 382 116 101 GLY C C 174.7 0.1 1 383 116 101 GLY CA C 45.2 0.1 1 384 116 101 GLY N N 109.5 0.02 1 385 117 102 ARG H H 7.24 0.02 1 386 117 102 ARG C C 176.5 0.1 1 387 117 102 ARG CA C 55.9 0.1 1 388 117 102 ARG N N 120.4 0.02 1 389 118 103 GLU H H 8.11 0.02 1 390 118 103 GLU C C 176.7 0.1 1 391 118 103 GLU CA C 56.6 0.1 1 392 118 103 GLU N N 121.5 0.02 1 393 119 104 GLN H H 7.99 0.02 1 394 119 104 GLN C C 176.2 0.1 1 395 119 104 GLN CA C 56 0.1 1 396 119 104 GLN N N 120.1 0.02 1 397 120 105 GLU H H 8.17 0.02 1 398 120 105 GLU C C 176.4 0.1 1 399 120 105 GLU CA C 56.4 0.1 1 400 120 105 GLU N N 121.1 0.02 1 401 121 106 ARG H H 7.99 0.1 1 402 121 106 ARG C C 176.6 0.1 1 403 121 106 ARG CA C 55.9 0.1 1 404 121 106 ARG N N 121.1 0.1 1 405 122 107 ARG H H 7.96 0.1 1 406 122 107 ARG C C 176.8 0.1 1 407 122 107 ARG CA C 56.4 0.1 1 408 122 107 ARG N N 120.9 0.1 1 409 123 108 GLY H H 8.04 0.1 1 410 123 108 GLY C C 174 0.1 1 411 123 108 GLY CA C 45.2 0.1 1 412 123 108 GLY N N 108.6 0.1 1 413 124 109 HIS H H 7.9 0.1 1 414 124 109 HIS C C 174.6 0.1 1 415 124 109 HIS CA C 55.9 0.1 1 416 124 109 HIS N N 117.7 0.1 1 417 125 110 PHE H H 8.01 0.1 1 418 125 110 PHE C C 175.5 0.1 1 419 125 110 PHE CA C 58.3 0.1 1 420 125 110 PHE N N 119.7 0.1 1 421 126 111 VAL H H 7.59 0.1 1 422 126 111 VAL C C 175.9 0.1 1 423 126 111 VAL CA C 62.2 0.1 1 424 126 111 VAL N N 119.4 0.1 1 425 127 112 ARG H H 7.85 0.1 1 426 127 112 ARG CA C 56.1 0.1 1 427 127 112 ARG N N 122 0.1 1 428 131 116 LYS C C 176.6 0.1 1 429 131 116 LYS CA C 56.2 0.1 1 430 132 117 ALA H H 7.99 0.1 1 431 132 117 ALA C C 177.9 0.1 1 432 132 117 ALA CA C 52.5 0.1 1 433 132 117 ALA N N 124.5 0.1 1 434 133 118 ALA H H 7.99 0.1 1 435 133 118 ALA C C 178.2 0.1 1 436 133 118 ALA CA C 53 0.1 1 437 133 118 ALA N N 122.6 0.1 1 438 134 119 GLU H H 8.09 0.1 1 439 134 119 GLU C C 177.4 0.1 1 440 134 119 GLU CA C 57.4 0.1 1 441 134 119 GLU N N 118.5 0.1 1 442 135 120 GLU H H 8.06 0.1 1 443 135 120 GLU C C 177 0.1 1 444 135 120 GLU CA C 56.9 0.1 1 445 135 120 GLU N N 120.4 0.1 1 446 136 121 ALA H H 7.94 0.1 1 447 136 121 ALA C C 178.3 0.1 1 448 136 121 ALA CA C 53.1 0.1 1 449 136 121 ALA N N 123.3 0.1 1 450 137 122 TYR H H 8.06 0.1 1 451 137 122 TYR C C 176.6 0.1 1 452 137 122 TYR CA C 58.7 0.1 1 453 137 122 TYR N N 119.6 0.1 1 454 138 123 THR H H 7.93 0.1 1 455 138 123 THR C C 175 0.1 1 456 138 123 THR CA C 62.8 0.1 1 457 138 123 THR N N 116.3 0.1 1 458 139 124 ARG H H 8.1 0.1 1 459 139 124 ARG C C 177.3 0.1 1 460 139 124 ARG CA C 57.2 0.1 1 461 139 124 ARG N N 122.6 0.1 1 462 140 125 THR H H 7.96 0.1 1 463 140 125 THR C C 175.3 0.1 1 464 140 125 THR CA C 63.6 0.1 1 465 140 125 THR N N 115.4 0.1 1 466 141 126 THR H H 7.94 0.1 1 467 141 126 THR C C 175.6 0.1 1 468 141 126 THR CA C 63.3 0.1 1 469 141 126 THR N N 114.9 0.1 1 470 142 127 ARG H H 7.95 0.1 1 471 142 127 ARG C C 177.1 0.1 1 472 142 127 ARG CA C 57.4 0.1 1 473 142 127 ARG N N 122.9 0.1 1 474 143 128 ALA H H 8 0.1 1 475 143 128 ALA C C 179.2 0.1 1 476 143 128 ALA CA C 53.3 0.1 1 477 143 128 ALA N N 123.1 0.1 1 478 144 129 LEU H H 7.98 0.1 1 479 144 129 LEU C C 178.2 0.1 1 480 144 129 LEU CA C 57.1 0.1 1 481 144 129 LEU N N 119.2 0.1 1 482 145 130 HIS H H 8.04 0.1 1 483 145 130 HIS C C 176.3 0.1 1 484 145 130 HIS CA C 58 0.1 1 485 145 130 HIS N N 116.4 0.1 1 486 146 131 GLU H H 7.89 0.1 1 487 146 131 GLU C C 178 0.1 1 488 146 131 GLU CA C 58 0.1 1 489 146 131 GLU N N 118.6 0.1 1 490 147 132 ARG H H 7.69 0.1 1 491 147 132 ARG C C 177.1 0.1 1 492 147 132 ARG CA C 57.1 0.1 1 493 147 132 ARG N N 118.4 0.1 1 494 148 133 PHE H H 7.89 0.1 1 495 148 133 PHE C C 176.4 0.1 1 496 148 133 PHE CA C 58.1 0.1 1 497 148 133 PHE N N 119 0.1 1 498 149 134 ASP H H 8.08 0.1 1 499 149 134 ASP C C 178 0.1 1 500 149 134 ASP CA C 56.7 0.1 1 501 149 134 ASP N N 121.1 0.1 1 502 150 135 ARG H H 7.86 0.1 1 503 150 135 ARG C C 178 0.1 1 504 150 135 ARG CA C 58 0.1 1 505 150 135 ARG N N 118.4 0.1 1 506 151 136 LEU H H 7.6 0.1 1 507 151 136 LEU C C 177.9 0.1 1 508 151 136 LEU CA C 56.8 0.1 1 509 151 136 LEU N N 120.1 0.1 1 510 152 137 GLU H H 8.06 0.1 1 511 152 137 GLU C C 178.1 0.1 1 512 152 137 GLU CA C 58.7 0.1 1 513 152 137 GLU N N 119.2 0.1 1 514 153 138 ARG H H 7.73 0.1 1 515 153 138 ARG C C 177.8 0.1 1 516 153 138 ARG CA C 57.7 0.1 1 517 153 138 ARG N N 118.2 0.1 1 518 154 139 MET H H 7.77 0.1 1 519 154 139 MET C C 177.6 0.1 1 520 154 139 MET CA C 57.4 0.1 1 521 154 139 MET N N 119 0.1 1 522 155 140 LEU H H 7.8 0.1 1 523 155 140 LEU C C 177.9 0.1 1 524 155 140 LEU CA C 56 0.1 1 525 155 140 LEU N N 119.7 0.1 1 526 156 141 ASP H H 7.87 0.1 1 527 156 141 ASP C C 177.3 0.1 1 528 156 141 ASP CA C 55.4 0.1 1 529 156 141 ASP N N 120 0.1 1 530 157 142 ASP H H 8.11 0.1 1 531 157 142 ASP C C 176.8 0.1 1 532 157 142 ASP CA C 55.2 0.1 1 533 157 142 ASP N N 120 0.1 1 534 158 143 ASN H H 8.01 0.1 1 535 158 143 ASN C C 175.1 0.1 1 536 158 143 ASN CA C 53.6 0.1 1 537 158 143 ASN N N 117.6 0.1 1 538 159 144 ARG H H 7.77 0.1 1 539 159 144 ARG C C 175.6 0.1 1 540 159 144 ARG CA C 56.2 0.1 1 541 159 144 ARG N N 120.2 0.1 1 542 160 145 ARG H H 7.61 0.1 1 543 160 145 ARG CA C 57.2 0.1 1 544 160 145 ARG N N 126.4 0.1 1 stop_ save_