data_15141 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignment of TC-1 ; _BMRB_accession_number 15141 _BMRB_flat_file_name bmr15141.str _Entry_type original _Submission_date 2007-02-22 _Accession_date 2007-02-22 _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 Choy Wing-Yiu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 75 "13C chemical shifts" 233 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The intrinsically disordered TC-1 interacts with Chibby via regions with high helical propensity' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17905836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gall Chris . . 2 Xu Hanyu . . 3 Brickenden Anne . . 4 Ai Xuanjun . . 5 Choy Wing-Yiu . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 16 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2510 _Page_last 2518 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TC-1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TC-1 $Thyroid_Cancer_1_(TC-1)_protein 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_Thyroid_Cancer_1_(TC-1)_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Thyroid_Cancer_1_(TC-1)_protein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MKAKRSHQAIIMSTSLRVSP SIHGYHFDTASRKKAVGNIF ENTDQESLERLFRNSGDKKA EERAKIIFAIDQDVEEKTRA LMALKKRTKDKLFQFLKLRK YSIKVH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ALA 4 LYS 5 ARG 6 SER 7 HIS 8 GLN 9 ALA 10 ILE 11 ILE 12 MET 13 SER 14 THR 15 SER 16 LEU 17 ARG 18 VAL 19 SER 20 PRO 21 SER 22 ILE 23 HIS 24 GLY 25 TYR 26 HIS 27 PHE 28 ASP 29 THR 30 ALA 31 SER 32 ARG 33 LYS 34 LYS 35 ALA 36 VAL 37 GLY 38 ASN 39 ILE 40 PHE 41 GLU 42 ASN 43 THR 44 ASP 45 GLN 46 GLU 47 SER 48 LEU 49 GLU 50 ARG 51 LEU 52 PHE 53 ARG 54 ASN 55 SER 56 GLY 57 ASP 58 LYS 59 LYS 60 ALA 61 GLU 62 GLU 63 ARG 64 ALA 65 LYS 66 ILE 67 ILE 68 PHE 69 ALA 70 ILE 71 ASP 72 GLN 73 ASP 74 VAL 75 GLU 76 GLU 77 LYS 78 THR 79 ARG 80 ALA 81 LEU 82 MET 83 ALA 84 LEU 85 LYS 86 LYS 87 ARG 88 THR 89 LYS 90 ASP 91 LYS 92 LEU 93 PHE 94 GLN 95 PHE 96 LEU 97 LYS 98 LEU 99 ARG 100 LYS 101 TYR 102 SER 103 ILE 104 LYS 105 VAL 106 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 AAF78961 "C8ORF4 protein [Homo sapiens]" 100.00 106 100.00 100.00 2.94e-69 GB AAH20623 "Chromosome 8 open reading frame 4 [Homo sapiens]" 100.00 106 100.00 100.00 2.94e-69 GB AAH21672 "Chromosome 8 open reading frame 4 [Homo sapiens]" 100.00 106 100.00 100.00 2.94e-69 GB ACE87044 "chromosome 8 open reading frame 4 protein [synthetic construct]" 100.00 106 100.00 100.00 2.94e-69 GB ACE87727 "chromosome 8 open reading frame 4 protein [synthetic construct]" 100.00 106 100.00 100.00 2.94e-69 REF NP_001180920 "thyroid cancer-1 [Macaca mulatta]" 100.00 106 97.17 98.11 3.77e-67 REF NP_064515 "protein C8orf4 [Homo sapiens]" 100.00 106 100.00 100.00 2.94e-69 REF XP_002819077 "PREDICTED: uncharacterized protein C8orf4 homolog [Pongo abelii]" 100.00 106 97.17 99.06 3.61e-67 REF XP_003734646 "PREDICTED: uncharacterized protein C8orf4 homolog [Callithrix jacchus]" 100.00 106 98.11 99.06 1.01e-67 REF XP_003823354 "PREDICTED: protein C8orf4 homolog [Pan paniscus]" 100.00 106 98.11 100.00 2.55e-68 SP Q9NR00 "RecName: Full=Protein C8orf4; AltName: Full=Thyroid cancer protein 1; Short=TC-1" 100.00 106 99.06 100.00 4.69e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Thyroid_Cancer_1_(TC-1)_protein Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Thyroid_Cancer_1_(TC-1)_protein 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Thyroid_Cancer_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Thyroid_Cancer_1_(TC-1)_protein 0.1 mM . . '[U-99% 13C; U-99% 15N]' DSS . mM 5 10 'natural abundance' 'sodium acetate' 10 mM . . 'natural abundance' H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Thyroid_Cancer_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Thyroid_Cancer_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Thyroid_Cancer_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $Thyroid_Cancer_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' 10 . mM pH 5.0 . pH pressure 1 . atm temperature 298 . 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 carbon' ppm 0 internal indirect . . . 0.251449530 DSS H 1 protons ppm 0 internal direct . . . 1 DSS N 15 nitrogen ppm 0 internal 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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D C(CO)NH' stop_ loop_ _Sample_label $Thyroid_Cancer_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TC-1 _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 3 3 ALA C C 177.55 0.2 . 2 3 3 ALA CA C 52.38 0.2 . 3 3 3 ALA CB C 19.23 0.2 . 4 4 4 LYS H H 8.37 0.01 . 5 4 4 LYS C C 176.54 0.2 . 6 4 4 LYS CA C 56.39 0.2 . 7 4 4 LYS CB C 33.02 0.2 . 8 4 4 LYS N N 121.57 0.1 . 9 5 5 ARG CB C 31.13 0.2 . 10 6 6 SER H H 8.42 0.01 . 11 6 6 SER CA C 58.08 0.2 . 12 6 6 SER CB C 63.88 0.2 . 13 6 6 SER N N 117.70 0.1 . 14 8 8 GLN H H 8.39 0.01 . 15 8 8 GLN C C 175.28 0.2 . 16 8 8 GLN CA C 55.84 0.2 . 17 8 8 GLN CB C 29.57 0.2 . 18 8 8 GLN N N 122.22 0.1 . 19 9 9 ALA H H 8.40 0.01 . 20 9 9 ALA C C 177.44 0.2 . 21 9 9 ALA CA C 52.65 0.2 . 22 9 9 ALA CB C 19.33 0.2 . 23 9 9 ALA N N 126.29 0.1 . 24 10 10 ILE H H 8.18 0.01 . 25 10 10 ILE C C 176.06 0.2 . 26 10 10 ILE CA C 61.10 0.2 . 27 10 10 ILE CB C 38.86 0.2 . 28 10 10 ILE N N 121.04 0.1 . 29 11 11 ILE H H 8.29 0.01 . 30 11 11 ILE C C 176.10 0.2 . 31 11 11 ILE CA C 60.62 0.2 . 32 11 11 ILE CB C 38.53 0.2 . 33 11 11 ILE N N 126.20 0.1 . 34 12 12 MET H H 8.52 0.01 . 35 12 12 MET C C 176.17 0.2 . 36 12 12 MET CA C 55.22 0.2 . 37 12 12 MET CB C 33.00 0.2 . 38 12 12 MET N N 125.63 0.1 . 39 13 13 SER H H 8.40 0.01 . 40 13 13 SER C C 174.89 0.2 . 41 13 13 SER CA C 58.43 0.2 . 42 13 13 SER CB C 63.83 0.2 . 43 13 13 SER N N 117.63 0.1 . 44 14 14 THR H H 8.24 0.01 . 45 14 14 THR C C 174.61 0.2 . 46 14 14 THR CA C 61.95 0.2 . 47 14 14 THR CB C 69.54 0.2 . 48 14 14 THR N N 115.94 0.1 . 49 15 15 SER H H 8.28 0.01 . 50 15 15 SER C C 176.08 0.2 . 51 15 15 SER CA C 58.38 0.2 . 52 15 15 SER CB C 63.78 0.2 . 53 15 15 SER N N 118.00 0.1 . 54 16 16 LEU H H 8.18 0.01 . 55 16 16 LEU C C 177.03 0.2 . 56 16 16 LEU CA C 55.30 0.2 . 57 16 16 LEU CB C 42.43 0.2 . 58 16 16 LEU N N 124.18 0.1 . 59 17 17 ARG H H 8.29 0.01 . 60 17 17 ARG CA C 56.00 0.2 . 61 17 17 ARG CB C 30.69 0.2 . 62 17 17 ARG N N 122.50 0.1 . 63 18 18 VAL H H 8.16 0.01 . 64 18 18 VAL C C 175.90 0.2 . 65 18 18 VAL CA C 61.85 0.2 . 66 18 18 VAL CB C 33.18 0.2 . 67 18 18 VAL N N 121.78 0.1 . 68 19 19 SER H H 8.48 0.01 . 69 19 19 SER C C 174.77 0.2 . 70 19 19 SER CA C 56.36 0.2 . 71 19 19 SER CB C 63.24 0.2 . 72 19 19 SER N N 121.60 0.1 . 73 20 20 PRO C C 176.74 0.2 . 74 20 20 PRO CA C 63.32 0.2 . 75 20 20 PRO CB C 32.28 0.2 . 76 21 21 SER H H 8.31 0.01 . 77 21 21 SER C C 176.77 0.2 . 78 21 21 SER CA C 58.07 0.2 . 79 21 21 SER CB C 63.94 0.2 . 80 21 21 SER N N 115.73 0.1 . 81 22 22 ILE H H 8.07 0.01 . 82 22 22 ILE C C 175.94 0.2 . 83 22 22 ILE N N 122.36 0.1 . 84 23 23 HIS H H 8.48 0.01 . 85 23 23 HIS C C 174.74 0.2 . 86 23 23 HIS CA C 55.46 0.2 . 87 23 23 HIS CB C 29.45 0.2 . 88 23 23 HIS N N 121.92 0.1 . 89 24 24 GLY H H 8.29 0.01 . 90 24 24 GLY C C 173.35 0.2 . 91 24 24 GLY CA C 45.05 0.2 . 92 24 24 GLY N N 109.83 0.1 . 93 25 25 TYR H H 8.10 0.01 . 94 25 25 TYR C C 175.37 0.2 . 95 25 25 TYR CA C 58.04 0.2 . 96 25 25 TYR CB C 39.09 0.2 . 97 25 25 TYR N N 120.25 0.1 . 98 26 26 HIS H H 8.28 0.01 . 99 26 26 HIS C C 173.40 0.2 . 100 26 26 HIS CA C 55.21 0.2 . 101 26 26 HIS CB C 29.43 0.2 . 102 26 26 HIS N N 121.21 0.1 . 103 27 27 PHE CA C 57.91 0.2 . 104 27 27 PHE CB C 39.59 0.2 . 105 28 28 ASP H H 8.41 0.01 . 106 28 28 ASP C C 176.38 0.2 . 107 28 28 ASP CA C 53.85 0.2 . 108 28 28 ASP CB C 41.52 0.2 . 109 28 28 ASP N N 122.55 0.1 . 110 29 29 THR H H 8.17 0.01 . 111 29 29 THR C C 174.96 0.2 . 112 29 29 THR CA C 62.57 0.2 . 113 29 29 THR CB C 69.31 0.2 . 114 29 29 THR N N 115.14 0.1 . 115 30 30 ALA H H 8.31 0.01 . 116 30 30 ALA C C 178.21 0.2 . 117 30 30 ALA CA C 53.27 0.2 . 118 30 30 ALA CB C 19.06 0.2 . 119 30 30 ALA N N 125.57 0.1 . 120 31 31 SER H H 8.13 0.01 . 121 31 31 SER CA C 58.71 0.2 . 122 31 31 SER CB C 63.48 0.2 . 123 31 31 SER N N 114.31 0.1 . 124 34 34 LYS C C 176.08 0.2 . 125 34 34 LYS CA C 55.74 0.2 . 126 34 34 LYS CB C 33.16 0.2 . 127 35 35 ALA H H 8.31 0.01 . 128 35 35 ALA C C 177.46 0.2 . 129 35 35 ALA CA C 52.37 0.2 . 130 35 35 ALA CB C 19.24 0.2 . 131 35 35 ALA N N 125.75 0.1 . 132 36 36 VAL H H 8.11 0.01 . 133 36 36 VAL C C 176.52 0.2 . 134 36 36 VAL CA C 62.47 0.2 . 135 36 36 VAL CB C 32.93 0.2 . 136 36 36 VAL N N 119.15 0.1 . 137 37 37 GLY H H 8.40 0.01 . 138 37 37 GLY C C 173.66 0.2 . 139 37 37 GLY CA C 45.06 0.2 . 140 37 37 GLY N N 111.85 0.1 . 141 38 38 ASN H H 8.31 0.01 . 142 38 38 ASN C C 175.25 0.2 . 143 38 38 ASN CA C 53.21 0.2 . 144 38 38 ASN CB C 38.99 0.2 . 145 38 38 ASN N N 118.84 0.1 . 146 39 39 ILE H H 8.00 0.01 . 147 39 39 ILE C C 175.84 0.2 . 148 39 39 ILE CA C 61.72 0.2 . 149 39 39 ILE CB C 38.54 0.2 . 150 39 39 ILE N N 120.15 0.1 . 151 40 40 PHE H H 8.19 0.01 . 152 40 40 PHE C C 175.61 0.2 . 153 40 40 PHE CA C 57.87 0.2 . 154 40 40 PHE CB C 39.23 0.2 . 155 40 40 PHE N N 122.48 0.1 . 156 41 41 GLU H H 8.20 0.01 . 157 41 41 GLU C C 175.78 0.2 . 158 41 41 GLU CA C 56.40 0.2 . 159 41 41 GLU CB C 30.53 0.2 . 160 41 41 GLU N N 121.70 0.1 . 161 42 42 ASN H H 8.44 0.01 . 162 42 42 ASN C C 175.42 0.2 . 163 42 42 ASN CA C 53.44 0.2 . 164 42 42 ASN CB C 38.78 0.2 . 165 42 42 ASN N N 119.51 0.1 . 166 43 43 THR H H 8.15 0.01 . 167 43 43 THR C C 174.46 0.2 . 168 43 43 THR CA C 62.20 0.2 . 169 43 43 THR CB C 69.60 0.2 . 170 43 43 THR N N 113.96 0.1 . 171 44 44 ASP H H 8.39 0.01 . 172 44 44 ASP C C 176.49 0.2 . 173 44 44 ASP CA C 54.39 0.2 . 174 44 44 ASP CB C 41.04 0.2 . 175 44 44 ASP N N 122.49 0.1 . 176 45 45 GLN H H 8.41 0.01 . 177 45 45 GLN C C 177.04 0.2 . 178 45 45 GLN CA C 57.58 0.2 . 179 45 45 GLN CB C 28.90 0.2 . 180 45 45 GLN N N 120.92 0.1 . 181 46 46 GLU H H 8.38 0.01 . 182 46 46 GLU C C 177.77 0.2 . 183 46 46 GLU CA C 58.33 0.2 . 184 46 46 GLU CB C 29.45 0.2 . 185 46 46 GLU N N 120.19 0.1 . 186 47 47 SER H H 8.14 0.01 . 187 47 47 SER C C 175.81 0.2 . 188 47 47 SER CA C 60.17 0.2 . 189 47 47 SER CB C 63.26 0.2 . 190 47 47 SER N N 115.80 0.1 . 191 48 48 LEU H H 8.06 0.01 . 192 48 48 LEU C C 178.32 0.2 . 193 48 48 LEU CA C 56.85 0.2 . 194 48 48 LEU CB C 41.76 0.2 . 195 48 48 LEU N N 123.34 0.1 . 196 49 49 GLU H H 8.20 0.01 . 197 49 49 GLU C C 177.82 0.2 . 198 49 49 GLU CA C 58.39 0.2 . 199 49 49 GLU CB C 29.27 0.2 . 200 49 49 GLU N N 119.12 0.1 . 201 50 50 ARG H H 7.90 0.01 . 202 50 50 ARG C C 177.19 0.2 . 203 50 50 ARG CA C 57.76 0.2 . 204 50 50 ARG CB C 30.33 0.2 . 205 50 50 ARG N N 119.13 0.1 . 206 51 51 LEU H H 7.85 0.01 . 207 51 51 LEU C C 178.01 0.2 . 208 51 51 LEU CA C 56.21 0.2 . 209 51 51 LEU CB C 42.10 0.2 . 210 51 51 LEU N N 120.45 0.1 . 211 52 52 PHE H H 8.03 0.01 . 212 52 52 PHE C C 176.44 0.2 . 213 52 52 PHE CA C 58.17 0.2 . 214 52 52 PHE CB C 39.28 0.2 . 215 52 52 PHE N N 118.75 0.1 . 216 53 53 ARG H H 8.08 0.01 . 217 53 53 ARG C C 176.32 0.2 . 218 53 53 ARG CA C 56.98 0.2 . 219 53 53 ARG CB C 30.76 0.2 . 220 53 53 ARG N N 121.13 0.1 . 221 54 54 ASN H H 8.37 0.01 . 222 54 54 ASN C C 175.45 0.2 . 223 54 54 ASN CA C 53.50 0.2 . 224 54 54 ASN CB C 38.88 0.2 . 225 54 54 ASN N N 119.10 0.1 . 226 55 55 SER H H 8.25 0.01 . 227 55 55 SER C C 174.81 0.2 . 228 55 55 SER CA C 58.77 0.2 . 229 55 55 SER CB C 63.74 0.2 . 230 55 55 SER N N 116.06 0.1 . 231 56 56 GLY H H 8.41 0.01 . 232 56 56 GLY CA C 45.25 0.2 . 233 56 56 GLY N N 110.61 0.1 . 234 57 57 ASP C C 176.39 0.2 . 235 57 57 ASP CA C 54.38 0.2 . 236 57 57 ASP CB C 41.19 0.2 . 237 58 58 LYS H H 8.30 0.01 . 238 58 58 LYS CA C 56.88 0.2 . 239 58 58 LYS CB C 32.63 0.2 . 240 58 58 LYS N N 122.27 0.1 . 241 59 59 LYS C C 177.25 0.2 . 242 59 59 LYS CA C 57.01 0.2 . 243 59 59 LYS CB C 32.66 0.2 . 244 60 60 ALA H H 8.21 0.01 . 245 60 60 ALA C C 178.67 0.2 . 246 60 60 ALA CA C 53.75 0.2 . 247 60 60 ALA CB C 18.78 0.2 . 248 60 60 ALA N N 124.43 0.1 . 249 61 61 GLU H H 8.37 0.01 . 250 61 61 GLU C C 177.29 0.2 . 251 61 61 GLU CA C 57.30 0.2 . 252 61 61 GLU CB C 29.83 0.2 . 253 61 61 GLU N N 119.51 0.1 . 254 62 62 GLU H H 8.23 0.01 . 255 62 62 GLU CA C 57.44 0.2 . 256 62 62 GLU CB C 29.93 0.2 . 257 62 62 GLU N N 121.25 0.1 . 258 63 63 ARG C C 176.66 0.2 . 259 63 63 ARG CA C 57.10 0.2 . 260 63 63 ARG CB C 30.43 0.2 . 261 64 64 ALA H H 8.14 0.01 . 262 64 64 ALA C C 177.94 0.2 . 263 64 64 ALA CA C 53.26 0.2 . 264 64 64 ALA CB C 18.91 0.2 . 265 64 64 ALA N N 123.23 0.1 . 266 65 65 LYS H H 8.01 0.01 . 267 65 65 LYS C C 176.86 0.2 . 268 65 65 LYS CA C 56.94 0.2 . 269 65 65 LYS CB C 32.94 0.2 . 270 65 65 LYS N N 119.33 0.1 . 271 66 66 ILE H H 7.91 0.01 . 272 66 66 ILE C C 176.06 0.2 . 273 66 66 ILE CA C 61.71 0.2 . 274 66 66 ILE N N 121.73 0.1 . 275 67 67 ILE H H 8.05 0.01 . 276 67 67 ILE C C 176.01 0.2 . 277 67 67 ILE CA C 61.28 0.2 . 278 67 67 ILE CB C 38.56 0.2 . 279 67 67 ILE N N 123.86 0.1 . 280 68 68 PHE H H 8.22 0.01 . 281 68 68 PHE C C 175.34 0.2 . 282 68 68 PHE CA C 57.90 0.2 . 283 68 68 PHE CB C 39.66 0.2 . 284 68 68 PHE N N 123.41 0.1 . 285 69 69 ALA H H 8.12 0.01 . 286 69 69 ALA C C 177.70 0.2 . 287 69 69 ALA CA C 52.86 0.2 . 288 69 69 ALA CB C 19.35 0.2 . 289 69 69 ALA N N 124.94 0.1 . 290 70 70 ILE H H 8.09 0.01 . 291 70 70 ILE C C 176.06 0.2 . 292 70 70 ILE CA C 61.63 0.2 . 293 70 70 ILE CB C 38.96 0.2 . 294 70 70 ILE N N 119.70 0.1 . 295 71 71 ASP H H 8.35 0.01 . 296 71 71 ASP CA C 54.49 0.2 . 297 71 71 ASP CB C 40.69 0.2 . 298 71 71 ASP N N 123.07 0.1 . 299 72 72 GLN C C 176.25 0.2 . 300 72 72 GLN CA C 56.98 0.2 . 301 73 73 ASP H H 8.38 0.01 . 302 73 73 ASP CA C 55.02 0.2 . 303 73 73 ASP CB C 41.00 0.2 . 304 73 73 ASP N N 120.90 0.1 . 305 75 75 GLU C C 178.21 0.2 . 306 75 75 GLU CA C 58.80 0.2 . 307 75 75 GLU CB C 29.21 0.2 . 308 76 76 GLU H H 8.32 0.01 . 309 76 76 GLU C C 178.71 0.2 . 310 76 76 GLU CA C 59.02 0.2 . 311 76 76 GLU CB C 29.44 0.2 . 312 76 76 GLU N N 120.86 0.1 . 313 77 77 LYS H H 8.27 0.01 . 314 77 77 LYS C C 178.90 0.2 . 315 77 77 LYS CA C 59.13 0.2 . 316 77 77 LYS CB C 32.46 0.2 . 317 77 77 LYS N N 120.16 0.1 . 318 78 78 THR H H 8.14 0.01 . 319 78 78 THR CA C 65.72 0.2 . 320 78 78 THR N N 115.41 0.1 . 321 80 80 ALA H H 8.14 0.01 . 322 80 80 ALA CA C 54.59 0.2 . 323 80 80 ALA CB C 18.30 0.2 . 324 80 80 ALA N N 122.38 0.1 . 325 81 81 LEU H H 7.93 0.01 . 326 81 81 LEU C C 178.02 0.2 . 327 81 81 LEU CA C 57.19 0.2 . 328 81 81 LEU CB C 42.14 0.2 . 329 81 81 LEU N N 119.72 0.1 . 330 82 82 MET H H 8.17 0.01 . 331 82 82 MET C C 178.12 0.2 . 332 82 82 MET CA C 57.60 0.2 . 333 82 82 MET CB C 32.22 0.2 . 334 82 82 MET N N 118.51 0.1 . 335 83 83 ALA H H 7.92 0.01 . 336 83 83 ALA C C 179.25 0.2 . 337 83 83 ALA CA C 54.17 0.2 . 338 83 83 ALA CB C 18.14 0.2 . 339 83 83 ALA N N 122.22 0.1 . 340 84 84 LEU H H 7.77 0.01 . 341 84 84 LEU C C 178.73 0.2 . 342 84 84 LEU CA C 56.67 0.2 . 343 84 84 LEU CB C 42.27 0.2 . 344 84 84 LEU N N 119.54 0.1 . 345 87 87 ARG C C 177.14 0.2 . 346 87 87 ARG CA C 57.21 0.2 . 347 87 87 ARG CB C 30.40 0.2 . 348 88 88 THR H H 8.03 0.01 . 349 88 88 THR CA C 63.02 0.2 . 350 88 88 THR CB C 69.85 0.2 . 351 88 88 THR N N 114.69 0.1 . 352 89 89 LYS H H 8.26 0.01 . 353 89 89 LYS N N 122.79 0.1 . 354 96 96 LEU H H 8.04 0.01 . 355 96 96 LEU CA C 55.79 0.2 . 356 96 96 LEU N N 121.79 0.1 . 357 100 100 LYS CA C 56.57 0.2 . 358 100 100 LYS CB C 33.04 0.2 . 359 101 101 TYR H H 8.12 0.01 . 360 101 101 TYR C C 175.49 0.2 . 361 101 101 TYR CA C 57.51 0.2 . 362 101 101 TYR CB C 39.20 0.2 . 363 101 101 TYR N N 120.82 0.1 . 364 102 102 SER H H 8.19 0.01 . 365 102 102 SER CA C 57.90 0.2 . 366 102 102 SER CB C 63.95 0.2 . 367 102 102 SER N N 117.46 0.1 . 368 103 103 ILE H H 8.07 0.01 . 369 103 103 ILE C C 175.82 0.2 . 370 103 103 ILE CA C 61.13 0.2 . 371 103 103 ILE CB C 38.92 0.2 . 372 103 103 ILE N N 122.36 0.1 . 373 104 104 LYS H H 8.35 0.01 . 374 104 104 LYS CA C 56.15 0.2 . 375 104 104 LYS CB C 33.15 0.2 . 376 104 104 LYS N N 125.69 0.1 . 377 105 105 VAL C C 175.22 0.2 . 378 105 105 VAL CA C 62.61 0.2 . 379 105 105 VAL CB C 32.70 0.2 . 380 106 106 HIS H H 8.00 0.01 . 381 106 106 HIS CA C 56.99 0.2 . 382 106 106 HIS CB C 30.08 0.2 . 383 106 106 HIS N N 125.92 0.1 . stop_ save_