data_16299 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of a 48 kDa tetramer of the T1 domain of the mammalian voltage gated potassium channel Kv1.4 ; _BMRB_accession_number 16299 _BMRB_flat_file_name bmr16299.str _Entry_type original _Submission_date 2009-05-13 _Accession_date 2009-05-13 _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 Schreier Christina . . 2 Auer Alexandra . . 3 Kalbitzer 'Hans Robert' . . 4 Kremer Werner . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 90 "13C chemical shifts" 240 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-13 update BMRB 'complete entry citation' 2009-07-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of a 48 kDa tetramer of the T1 domain of the mammalian voltage gated potassium channel Kv1.4.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888682 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schreier Christina . . 2 Auer Alexandra . . 3 Kalbitzer 'Hans Robert' . . 4 Kremer Werner . . stop_ _Journal_abbreviation 'Biomol NMR Assign' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 170 _Year 2009 _Details . loop_ _Keyword 'NMR resonance assignments' 'T1 domain' 'Voltage gated potassium channel' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'T1 domain tetramer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'T1 domain' $T1_domain_of_Kv1.4 stop_ _System_molecular_weight 48000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_T1_domain_of_Kv1.4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common T1_domain_of_Kv1.4 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; MERVVINVSGLRFETQMKTL AQFPETLLGDPEKRTQYFDP LRNEYFFDRNRPSFDAILYY YQSGGRLKRPVNVPFDIFTE EVKFYQLGKLAAALEHHHHH H ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ARG 4 VAL 5 VAL 6 ILE 7 ASN 8 VAL 9 SER 10 GLY 11 LEU 12 ARG 13 PHE 14 GLU 15 THR 16 GLN 17 MET 18 LYS 19 THR 20 LEU 21 ALA 22 GLN 23 PHE 24 PRO 25 GLU 26 THR 27 LEU 28 LEU 29 GLY 30 ASP 31 PRO 32 GLU 33 LYS 34 ARG 35 THR 36 GLN 37 TYR 38 PHE 39 ASP 40 PRO 41 LEU 42 ARG 43 ASN 44 GLU 45 TYR 46 PHE 47 PHE 48 ASP 49 ARG 50 ASN 51 ARG 52 PRO 53 SER 54 PHE 55 ASP 56 ALA 57 ILE 58 LEU 59 TYR 60 TYR 61 TYR 62 GLN 63 SER 64 GLY 65 GLY 66 ARG 67 LEU 68 LYS 69 ARG 70 PRO 71 VAL 72 ASN 73 VAL 74 PRO 75 PHE 76 ASP 77 ILE 78 PHE 79 THR 80 GLU 81 GLU 82 VAL 83 LYS 84 PHE 85 TYR 86 GLN 87 LEU 88 GLY 89 LYS 90 LEU 91 ALA 92 ALA 93 ALA 94 LEU 95 GLU 96 HIS 97 HIS 98 HIS 99 HIS 100 HIS 101 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB EHB17201 "Potassium voltage-gated channel subfamily A member 4 [Heterocephalus glaber]" 89.11 727 97.78 98.89 5.24e-54 GB ELR56484 "Potassium voltage-gated channel subfamily A member 4, partial [Bos mutus]" 89.11 480 97.78 98.89 6.51e-55 REF XP_003773706 "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Sarcophilus harrisii]" 89.11 658 97.78 98.89 3.42e-53 REF XP_007497268 "PREDICTED: LOW QUALITY PROTEIN: potassium voltage-gated channel subfamily A member 4 [Monodelphis domestica]" 89.11 659 97.78 98.89 3.27e-53 REF XP_007657298 "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Ornithorhynchus anatinus]" 89.11 661 97.78 98.89 2.05e-53 REF XP_007657303 "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Ornithorhynchus anatinus]" 89.11 661 97.78 98.89 2.05e-53 REF XP_007657307 "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Ornithorhynchus anatinus]" 89.11 661 97.78 98.89 2.05e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $T1_domain_of_Kv1.4 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $T1_domain_of_Kv1.4 'recombinant technology' . Escherichia coli . pET20b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $T1_domain_of_Kv1.4 1 mM '[U-13C; U-15N; U-2H]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Auremol _Saveframe_category software _Name AUREMOL _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)NNH' _Sample_label $sample_1 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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . 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 HNCA' '3D HN(CO)CA' '3D HN(CO)CACB' '3D HN(CA)NNH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'T1 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU C C 175.0 0.3 1 2 2 2 GLU CA C 56.8 0.3 1 3 2 2 GLU CB C 29.4 0.3 1 4 3 3 ARG H H 7.30 0.01 1 5 3 3 ARG C C 175.3 0.3 1 6 3 3 ARG CA C 55.0 0.3 1 7 3 3 ARG CB C 30.6 0.3 1 8 3 3 ARG N N 112.9 0.1 1 9 4 4 VAL H H 8.91 0.01 1 10 4 4 VAL C C 173.4 0.3 1 11 4 4 VAL CA C 60.8 0.3 1 12 4 4 VAL CB C 32.9 0.3 1 13 4 4 VAL N N 123.0 0.1 1 14 5 5 VAL H H 8.84 0.01 1 15 5 5 VAL C C 175.0 0.3 1 16 5 5 VAL CA C 60.4 0.3 1 17 5 5 VAL CB C 31.7 0.3 1 18 5 5 VAL N N 126.2 0.1 1 19 6 6 ILE H H 9.51 0.01 1 20 6 6 ILE C C 172.9 0.3 1 21 6 6 ILE CA C 60.8 0.3 1 22 6 6 ILE CB C 39.4 0.3 1 23 6 6 ILE N N 128.2 0.1 1 24 7 7 ASN H H 9.74 0.01 1 25 7 7 ASN C C 173.9 0.3 1 26 7 7 ASN CA C 50.3 0.3 1 27 7 7 ASN CB C 38.3 0.3 1 28 7 7 ASN N N 127.9 0.1 1 29 8 8 VAL H H 8.97 0.01 1 30 8 8 VAL C C 176.8 0.3 1 31 8 8 VAL CA C 60.4 0.3 1 32 8 8 VAL CB C 29.6 0.3 1 33 8 8 VAL N N 125.4 0.1 1 34 9 9 SER H H 8.69 0.01 1 35 9 9 SER C C 177.6 0.3 1 36 9 9 SER CA C 59.0 0.3 1 37 9 9 SER CB C 62.0 0.3 1 38 9 9 SER N N 118.3 0.1 1 39 10 10 GLY H H 9.01 0.01 1 40 10 10 GLY C C 172.7 0.3 1 41 10 10 GLY CA C 44.8 0.3 1 42 10 10 GLY N N 111.3 0.1 1 43 11 11 LEU H H 8.45 0.01 1 44 11 11 LEU C C 174.3 0.3 1 45 11 11 LEU CA C 53.3 0.3 1 46 11 11 LEU CB C 41.3 0.3 1 47 11 11 LEU N N 127.3 0.1 1 48 12 12 ARG H H 8.26 0.01 1 49 12 12 ARG C C 175.8 0.3 1 50 12 12 ARG CA C 56.3 0.3 1 51 12 12 ARG CB C 30.0 0.3 1 52 12 12 ARG N N 125.8 0.1 1 53 13 13 PHE H H 9.97 0.01 1 54 13 13 PHE C C 174.1 0.3 1 55 13 13 PHE CA C 56.3 0.3 1 56 13 13 PHE CB C 40.1 0.3 1 57 13 13 PHE N N 125.4 0.1 1 58 14 14 GLU H H 7.61 0.01 1 59 14 14 GLU C C 173.7 0.3 1 60 14 14 GLU CA C 53.8 0.3 1 61 14 14 GLU CB C 33.6 0.3 1 62 14 14 GLU N N 119.9 0.1 1 63 15 15 THR H H 8.43 0.01 1 64 15 15 THR C C 173.4 0.3 1 65 15 15 THR CA C 58.0 0.3 1 66 15 15 THR CB C 68.1 0.3 1 67 15 15 THR N N 113.7 0.1 1 68 16 16 GLN H H 8.89 0.01 1 69 16 16 GLN C C 177.5 0.3 1 70 16 16 GLN CA C 53.9 0.3 1 71 16 16 GLN CB C 30.1 0.3 1 72 16 16 GLN N N 120.7 0.1 1 73 17 17 MET H H 9.07 0.01 1 74 17 17 MET C C 179.6 0.3 1 75 17 17 MET CA C 58.2 0.3 1 76 17 17 MET CB C 33.0 0.3 1 77 17 17 MET N N 124.8 0.1 1 78 18 18 LYS H H 8.26 0.01 1 79 18 18 LYS CA C 57.8 . 1 80 18 18 LYS N N 114.8 0.1 1 81 19 19 THR H H 7.35 0.01 1 82 19 19 THR CA C 65.4 0.3 1 83 19 19 THR N N 115.7 0.1 1 84 20 20 LEU H H 7.11 0.01 1 85 20 20 LEU C C 178.4 0.3 1 86 20 20 LEU CA C 59.2 0.3 1 87 20 20 LEU CB C 40.0 0.3 1 88 20 20 LEU N N 119.7 0.1 1 89 21 21 ALA H H 7.33 0.01 1 90 21 21 ALA C C 171.4 0.3 1 91 21 21 ALA CA C 53.2 0.3 1 92 21 21 ALA CB C 19.2 0.3 1 93 21 21 ALA N N 118.1 0.1 1 94 22 22 GLN H H 7.11 0.01 1 95 22 22 GLN C C 176.8 0.3 1 96 22 22 GLN CA C 61.6 0.3 1 97 22 22 GLN CB C 32.3 0.3 1 98 22 22 GLN N N 120.3 0.1 1 99 23 23 PHE H H 7.75 0.01 1 100 23 23 PHE CA C 57.8 0.3 1 101 23 23 PHE N N 116.9 0.1 1 102 24 24 PRO C C 179.6 0.3 1 103 24 24 PRO CB C 31.3 0.3 1 104 25 25 GLU H H 8.40 0.01 1 105 25 25 GLU C C 177.6 0.3 1 106 25 25 GLU CA C 57.4 0.3 1 107 25 25 GLU CB C 30.2 0.3 1 108 25 25 GLU N N 114.9 0.1 1 109 26 26 THR H H 7.43 0.01 1 110 26 26 THR C C 176.5 0.3 1 111 26 26 THR CA C 64.8 0.3 1 112 26 26 THR CB C 67.0 0.3 1 113 26 26 THR N N 118.3 0.1 1 114 27 27 LEU H H 6.84 0.01 1 115 27 27 LEU C C 178.7 0.3 1 116 27 27 LEU CA C 55.8 0.3 1 117 27 27 LEU CB C 39.7 0.3 1 118 27 27 LEU N N 118.8 0.1 1 119 28 28 LEU H H 6.81 0.01 1 120 28 28 LEU C C 177.2 0.3 1 121 28 28 LEU CA C 54.8 0.3 1 122 28 28 LEU CB C 40.1 0.3 1 123 28 28 LEU N N 115.4 0.1 1 124 29 29 GLY H H 7.34 0.01 1 125 29 29 GLY C C 171.7 0.3 1 126 29 29 GLY CA C 44.3 0.3 1 127 29 29 GLY N N 103.2 0.1 1 128 30 30 ASP H H 7.20 0.01 1 129 30 30 ASP CA C 49.5 0.3 1 130 30 30 ASP N N 121.0 0.1 1 131 32 32 GLU C C 178.7 0.3 1 132 32 32 GLU CB C 27.5 0.3 1 133 33 33 LYS H H 7.93 0.01 1 134 33 33 LYS CA C 57.6 0.3 1 135 33 33 LYS CB C 26.7 0.3 1 136 33 33 LYS N N 118.6 0.1 1 137 34 34 ARG H H 7.77 0.01 1 138 34 34 ARG C C 177.7 0.3 1 139 34 34 ARG CA C 56.9 0.3 1 140 34 34 ARG CB C 28.4 0.3 1 141 34 34 ARG N N 119.2 0.1 1 142 35 35 THR H H 7.43 0.01 1 143 35 35 THR CA C 66.0 0.3 1 144 35 35 THR CB C 67.9 0.3 1 145 35 35 THR N N 115.5 0.1 1 146 36 36 GLN H H 7.77 0.01 1 147 36 36 GLN C C 175.6 0.3 1 148 36 36 GLN CA C 56.9 0.3 1 149 36 36 GLN CB C 27.2 0.3 1 150 36 36 GLN N N 119.2 0.1 1 151 37 37 TYR H H 7.99 0.01 1 152 37 37 TYR C C 174.6 0.3 1 153 37 37 TYR CA C 56.9 0.3 1 154 37 37 TYR CB C 37.3 0.3 1 155 37 37 TYR N N 117.0 0.1 1 156 38 38 PHE H H 7.86 0.01 1 157 38 38 PHE C C 173.8 0.3 1 158 38 38 PHE CA C 57.0 0.3 1 159 38 38 PHE CB C 38.7 0.3 1 160 38 38 PHE N N 122.2 0.1 1 161 39 39 ASP H H 8.48 0.01 1 162 39 39 ASP CA C 48.3 0.3 1 163 39 39 ASP N N 128.3 0.1 1 164 40 40 PRO C C 176.1 0.3 1 165 40 40 PRO CB C 31.0 0.3 1 166 41 41 LEU H H 9.44 0.01 1 167 41 41 LEU C C 174.6 0.3 1 168 41 41 LEU CA C 55.3 0.3 1 169 41 41 LEU N N 119.2 0.1 1 170 42 42 ARG H H 8.83 0.01 1 171 42 42 ARG C C 174.3 0.3 1 172 42 42 ARG CA C 52.5 0.3 1 173 42 42 ARG CB C 32.8 0.3 1 174 42 42 ARG N N 129.1 0.1 1 175 43 43 ASN H H 8.76 0.01 1 176 43 43 ASN C C 174.5 0.3 1 177 43 43 ASN CA C 52.5 0.3 1 178 43 43 ASN CB C 41.3 0.3 1 179 43 43 ASN N N 127.1 0.1 1 180 44 44 GLU H H 8.42 0.01 1 181 44 44 GLU C C 173.3 0.3 1 182 44 44 GLU CA C 52.3 0.3 1 183 44 44 GLU CB C 31.4 0.3 1 184 44 44 GLU N N 127.0 0.1 1 185 45 45 TYR H H 8.76 0.01 1 186 45 45 TYR C C 174.2 0.3 1 187 45 45 TYR CA C 57.8 0.3 1 188 45 45 TYR CB C 38.8 0.3 1 189 45 45 TYR N N 120.0 0.1 1 190 46 46 PHE H H 8.63 0.01 1 191 46 46 PHE C C 173.0 0.3 1 192 46 46 PHE CA C 55.6 0.3 1 193 46 46 PHE CB C 40.6 0.3 1 194 46 46 PHE N N 123.4 0.1 1 195 47 47 PHE H H 8.39 0.01 1 196 47 47 PHE C C 174.0 0.3 1 197 47 47 PHE CA C 55.6 0.3 1 198 47 47 PHE CB C 40.9 0.3 1 199 47 47 PHE N N 124.0 0.1 1 200 48 48 ASP H H 9.06 0.01 1 201 48 48 ASP C C 176.0 0.3 1 202 48 48 ASP CA C 50.6 0.3 1 203 48 48 ASP CB C 38.4 0.3 1 204 48 48 ASP N N 129.2 0.1 1 205 49 49 ARG H H 6.95 0.01 1 206 49 49 ARG C C 175.4 0.3 1 207 49 49 ARG CA C 54.4 0.3 1 208 49 49 ARG CB C 30.1 0.3 1 209 49 49 ARG N N 115.6 0.1 1 210 50 50 ASN H H 7.98 0.01 1 211 50 50 ASN C C 178.0 0.3 1 212 50 50 ASN CA C 53.2 0.3 1 213 50 50 ASN CB C 35.9 0.3 1 214 50 50 ASN N N 118.5 0.1 1 215 51 51 ARG H H 6.91 0.01 1 216 51 51 ARG CA C 53.1 0.3 1 217 51 51 ARG N N 113.0 0.1 1 218 52 52 PRO C C 175.4 0.3 1 219 53 53 SER H H 7.90 0.01 1 220 53 53 SER C C 176.6 0.3 1 221 53 53 SER CA C 62.4 0.3 1 222 53 53 SER N N 119.7 0.1 1 223 54 54 PHE H H 9.31 0.01 1 224 54 54 PHE C C 176.9 0.3 1 225 54 54 PHE CA C 61.8 0.3 1 226 54 54 PHE CB C 38.6 0.3 1 227 54 54 PHE N N 123.8 0.1 1 228 55 55 ASP H H 9.14 0.01 1 229 55 55 ASP C C 177.9 0.3 1 230 55 55 ASP CA C 55.7 0.3 1 231 55 55 ASP CB C 38.9 0.3 1 232 55 55 ASP N N 117.6 0.1 1 233 56 56 ALA H H 7.90 0.01 1 234 56 56 ALA C C 177.5 0.3 1 235 56 56 ALA CA C 52.4 0.3 1 236 56 56 ALA CB C 17.2 0.3 1 237 56 56 ALA N N 116.0 0.1 1 238 57 57 ILE H H 7.00 0.01 1 239 57 57 ILE C C 179.5 0.3 1 240 57 57 ILE CA C 56.8 0.3 1 241 57 57 ILE CB C 39.0 0.3 1 242 57 57 ILE N N 114.0 0.1 1 243 58 58 LEU H H 8.07 0.01 1 244 58 58 LEU C C 177.6 0.3 1 245 58 58 LEU CA C 59.9 0.3 1 246 58 58 LEU CB C 37.1 0.3 1 247 58 58 LEU N N 116.9 0.1 1 248 59 59 TYR H H 7.61 0.01 1 249 59 59 TYR CA C 60.4 0.3 1 250 59 59 TYR N N 122.7 0.1 1 251 60 60 TYR C C 176.1 0.3 1 252 60 60 TYR CB C 36.4 0.3 1 253 61 61 TYR H H 7.32 0.01 1 254 61 61 TYR C C 179.0 0.3 1 255 61 61 TYR CA C 60.4 0.3 1 256 61 61 TYR CB C 36.7 0.3 1 257 61 61 TYR N N 114.4 0.1 1 258 62 62 GLN H H 7.79 0.01 1 259 62 62 GLN C C 177.6 0.3 1 260 62 62 GLN CA C 57.8 0.3 1 261 62 62 GLN CB C 27.2 0.3 1 262 62 62 GLN N N 117.4 0.1 1 263 63 63 SER H H 8.08 0.01 1 264 63 63 SER C C 175.7 0.3 1 265 63 63 SER CA C 57.3 0.3 1 266 63 63 SER CB C 63.5 0.3 1 267 63 63 SER N N 110.6 0.1 1 268 64 64 GLY H H 7.72 0.01 1 269 64 64 GLY C C 175.0 0.3 1 270 64 64 GLY CA C 45.6 0.3 1 271 64 64 GLY N N 110.1 0.1 1 272 65 65 GLY H H 8.43 0.01 1 273 65 65 GLY C C 173.5 0.3 1 274 65 65 GLY CA C 44.1 0.3 1 275 65 65 GLY N N 107.2 0.1 1 276 66 66 ARG H H 7.64 0.01 1 277 66 66 ARG C C 175.3 0.3 1 278 66 66 ARG CA C 55.4 0.3 1 279 66 66 ARG CB C 24.0 0.3 1 280 66 66 ARG N N 120.6 0.1 1 281 67 67 LEU H H 7.14 0.01 1 282 67 67 LEU C C 175.4 0.3 1 283 67 67 LEU CA C 55.0 0.3 1 284 67 67 LEU CB C 36.7 0.3 1 285 67 67 LEU N N 113.7 0.1 1 286 68 68 LYS H H 8.84 0.01 1 287 68 68 LYS C C 174.1 0.3 1 288 68 68 LYS CA C 55.3 0.3 1 289 68 68 LYS CB C 40.6 0.3 1 290 68 68 LYS N N 116.5 0.1 1 291 69 69 ARG H H 9.40 0.01 1 292 69 69 ARG CA C 59.5 0.3 1 293 69 69 ARG N N 124.9 0.1 1 294 70 70 PRO CA C 62.2 0.3 1 295 71 71 VAL H H 8.41 0.01 1 296 71 71 VAL C C 176.3 0.3 1 297 71 71 VAL CA C 63.9 0.3 1 298 71 71 VAL CB C 30.1 0.3 1 299 71 71 VAL N N 118.9 0.1 1 300 72 72 ASN H H 8.37 0.01 1 301 72 72 ASN C C 174.4 0.3 1 302 72 72 ASN CA C 52.5 0.3 1 303 72 72 ASN CB C 36.1 0.3 1 304 72 72 ASN N N 112.9 0.1 1 305 73 73 VAL H H 7.73 0.01 1 306 73 73 VAL CA C 58.7 0.3 1 307 73 73 VAL N N 122.6 0.1 1 308 74 74 PRO C C 178.8 0.3 1 309 75 75 PHE H H 7.77 0.01 1 310 75 75 PHE CA C 62.9 0.3 1 311 75 75 PHE CB C 30.8 0.3 1 312 75 75 PHE N N 109.9 0.1 1 313 76 76 ASP H H 7.78 0.01 1 314 76 76 ASP C C 178.4 0.3 1 315 76 76 ASP CA C 56.2 0.3 1 316 76 76 ASP CB C 37.4 0.3 1 317 76 76 ASP N N 118.5 0.1 1 318 77 77 ILE H H 7.31 0.01 1 319 77 77 ILE C C 177.7 0.3 1 320 77 77 ILE CA C 64.4 0.3 1 321 77 77 ILE CB C 37.0 0.3 1 322 77 77 ILE N N 121.2 0.1 1 323 78 78 PHE H H 8.36 0.01 1 324 78 78 PHE C C 177.2 0.3 1 325 78 78 PHE CA C 61.7 0.3 1 326 78 78 PHE CB C 38.2 0.3 1 327 78 78 PHE N N 119.0 0.1 1 328 79 79 THR H H 8.44 0.01 1 329 79 79 THR C C 176.1 0.3 1 330 79 79 THR CA C 65.9 0.3 1 331 79 79 THR CB C 67.2 0.3 1 332 79 79 THR N N 112.0 0.1 1 333 80 80 GLU H H 7.11 0.01 1 334 80 80 GLU C C 179.1 0.3 1 335 80 80 GLU CA C 58.3 0.3 1 336 80 80 GLU CB C 29.5 0.3 1 337 80 80 GLU N N 120.3 0.1 1 338 81 81 GLU H H 8.83 0.01 1 339 81 81 GLU C C 177.4 0.3 1 340 81 81 GLU CA C 57.9 0.3 1 341 81 81 GLU CB C 27.1 0.3 1 342 81 81 GLU N N 115.5 0.1 1 343 82 82 VAL H H 8.15 0.01 1 344 82 82 VAL C C 178.0 0.3 1 345 82 82 VAL CA C 66.9 0.3 1 346 82 82 VAL CB C 30.0 0.3 1 347 82 82 VAL N N 119.6 0.1 1 348 83 83 LYS H H 7.53 0.01 1 349 83 83 LYS C C 179.9 0.3 1 350 83 83 LYS CA C 58.2 0.3 1 351 83 83 LYS CB C 30.9 0.3 1 352 83 83 LYS N N 116.9 0.1 1 353 84 84 PHE H H 7.99 0.01 1 354 84 84 PHE C C 176.2 0.3 1 355 84 84 PHE CA C 61.3 0.3 1 356 84 84 PHE CB C 37.6 0.3 1 357 84 84 PHE N N 123.1 0.1 1 358 85 85 TYR H H 8.25 0.01 1 359 85 85 TYR C C 175.6 0.3 1 360 85 85 TYR CA C 59.9 0.3 1 361 85 85 TYR CB C 35.3 0.3 1 362 85 85 TYR N N 113.0 0.1 1 363 86 86 GLN H H 7.85 0.01 1 364 86 86 GLN C C 175.6 0.3 1 365 86 86 GLN CA C 55.4 0.3 1 366 86 86 GLN CB C 28.8 0.3 1 367 86 86 GLN N N 118.2 0.1 1 368 87 87 LEU H H 8.57 0.01 1 369 87 87 LEU C C 177.5 0.3 1 370 87 87 LEU CA C 54.1 0.3 1 371 87 87 LEU CB C 39.2 0.3 1 372 87 87 LEU N N 124.2 0.1 1 373 88 88 GLY H H 7.99 0.01 1 374 88 88 GLY CA C 44.0 0.3 1 375 88 88 GLY N N 106.4 0.1 1 376 89 89 LYS H H 8.03 0.01 1 377 89 89 LYS CA C 55.9 0.3 1 378 89 89 LYS CB C 32.2 0.3 1 379 89 89 LYS N N 120.1 0.1 1 380 90 90 LEU H H 8.31 0.01 1 381 90 90 LEU CA C 54.2 0.3 1 382 90 90 LEU CB C 40.6 0.3 1 383 90 90 LEU N N 122.8 0.1 1 384 91 91 ALA H H 8.26 0.01 1 385 91 91 ALA CA C 52.1 0.3 1 386 91 91 ALA CB C 17.7 0.3 1 387 91 91 ALA N N 124.1 0.1 1 388 92 92 ALA H H 8.16 0.01 1 389 92 92 ALA CA C 52.0 0.3 1 390 92 92 ALA CB C 17.7 0.3 1 391 92 92 ALA N N 121.5 0.1 1 392 93 93 ALA H H 8.07 0.01 1 393 93 93 ALA CA C 52.0 0.3 1 394 93 93 ALA CB C 17.8 0.3 1 395 93 93 ALA N N 121.8 0.1 1 396 94 94 LEU H H 8.03 0.01 1 397 94 94 LEU CA C 54.6 0.3 1 398 94 94 LEU CB C 40.7 0.3 1 399 94 94 LEU N N 120.1 0.1 1 400 95 95 GLU H H 8.19 0.01 1 401 95 95 GLU CA C 55.9 0.3 1 402 95 95 GLU CB C 28.9 0.3 1 403 95 95 GLU N N 120.6 0.1 1 404 96 96 HIS H H 8.43 0.01 1 405 96 96 HIS CA C 55.5 0.3 1 406 96 96 HIS N N 119.7 0.1 1 407 97 97 HIS H H 8.76 0.01 1 408 97 97 HIS C C 175.6 0.3 1 409 97 97 HIS CA C 54.7 0.3 1 410 97 97 HIS N N 120.6 0.1 1 411 98 98 HIS H H 8.63 0.01 1 412 98 98 HIS CA C 54.9 0.3 1 413 98 98 HIS N N 120.5 0.1 1 414 99 99 HIS H H 8.81 0.01 1 415 99 99 HIS C C 173.6 0.3 1 416 99 99 HIS CA C 54.9 0.3 1 417 99 99 HIS N N 120.7 0.1 1 418 100 100 HIS H H 8.37 0.01 1 419 100 100 HIS CA C 56.1 0.3 1 420 100 100 HIS N N 125.8 0.1 1 stop_ save_