data_15461 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the Ccc2ab protein ; _BMRB_accession_number 15461 _BMRB_flat_file_name bmr15461.str _Entry_type original _Submission_date 2007-09-06 _Accession_date 2007-09-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR resonance assignment of the two soluble Nterminal domains of the Ccc2 protein in the apo and Cu(i)-binded form' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Chasapis Christos T. . 4 Rosato Antonio . . 5 Tenroi Leonardo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 127 "13C chemical shifts" 366 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-08 update BMRB 'delete the outliers of 64 PHE CG 7.0, 64 PHE CZ 7.1, 46 TYR CG 6.8, 46 TYR CZ 6.5' 2008-06-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7406 'ccc2 (complex form)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interaction of the two soluble metal-binding domains of yeast Ccc2 with copper(I)-Atx1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17961510 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Chasapis Christos T. . 4 Rosato Antonio . . 5 Tenori Leonardo . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 364 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 645 _Page_last 649 _Year 2007 _Details . loop_ _Keyword Atx1 Ccc2 coppper 'metal homeostasis' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ccc2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ccc2 $Ccc2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ccc2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ccc2 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Yeast Ccc2 is a P-type ATPase responsible for transport of copper(I) from the cytosol to the trans-Golgi network' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MREVILAVHGMTCSACTNTI NTQLRALKGVTKCDISLVTN ECQVTYDNEVTADSIKEIIE DCGFDCEILRDSEITAISTK EGLLSVQGMTCGSCVSTVTK QVEGIEGVESVVVSLVTEEC HVIYEPSKTTLETAREMIED CGFDSNIIMD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLU 4 VAL 5 ILE 6 LEU 7 ALA 8 VAL 9 HIS 10 GLY 11 MET 12 THR 13 CYS 14 SER 15 ALA 16 CYS 17 THR 18 ASN 19 THR 20 ILE 21 ASN 22 THR 23 GLN 24 LEU 25 ARG 26 ALA 27 LEU 28 LYS 29 GLY 30 VAL 31 THR 32 LYS 33 CYS 34 ASP 35 ILE 36 SER 37 LEU 38 VAL 39 THR 40 ASN 41 GLU 42 CYS 43 GLN 44 VAL 45 THR 46 TYR 47 ASP 48 ASN 49 GLU 50 VAL 51 THR 52 ALA 53 ASP 54 SER 55 ILE 56 LYS 57 GLU 58 ILE 59 ILE 60 GLU 61 ASP 62 CYS 63 GLY 64 PHE 65 ASP 66 CYS 67 GLU 68 ILE 69 LEU 70 ARG 71 ASP 72 SER 73 GLU 74 ILE 75 THR 76 ALA 77 ILE 78 SER 79 THR 80 LYS 81 GLU 82 GLY 83 LEU 84 LEU 85 SER 86 VAL 87 GLN 88 GLY 89 MET 90 THR 91 CYS 92 GLY 93 SER 94 CYS 95 VAL 96 SER 97 THR 98 VAL 99 THR 100 LYS 101 GLN 102 VAL 103 GLU 104 GLY 105 ILE 106 GLU 107 GLY 108 VAL 109 GLU 110 SER 111 VAL 112 VAL 113 VAL 114 SER 115 LEU 116 VAL 117 THR 118 GLU 119 GLU 120 CYS 121 HIS 122 VAL 123 ILE 124 TYR 125 GLU 126 PRO 127 SER 128 LYS 129 THR 130 THR 131 LEU 132 GLU 133 THR 134 ALA 135 ARG 136 GLU 137 MET 138 ILE 139 GLU 140 ASP 141 CYS 142 GLY 143 PHE 144 ASP 145 SER 146 ASN 147 ILE 148 ILE 149 MET 150 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 7406 Ccc2 100.00 150 100.00 100.00 1.59e-100 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ccc2 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 _Details $Ccc2 'recombinant technology' . Escherichia coli . 'pET 20b(+)' 'A DNA segment corresponding to residues 1-150 of Ccc2 (Ccc2ab hereafter) was amplified by PCR and cloned into pET 20b(+) between the NcoI and XhoI restriction sites. The construct of two domains Ccc2ab has been expressed in Escherichia coli BL21(DE 3) in minimal medium cultures' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Ccc2 . mM 0.2 0.5 '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'conventional multi dimensional NMR techniques based on triple resonance' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.00 . pH pressure 1 . atm temperature 298 . K viscosity 100 . mM 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' 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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 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 ccc2 _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 ARG H H 8.13 0.02 1 2 2 2 ARG C C 173.6 0.3 1 3 2 2 ARG CA C 53.6 0.3 1 4 2 2 ARG CB C 27.9 0.3 1 5 2 2 ARG N N 120.3 0.3 1 6 3 3 GLU H H 8.65 0.02 1 7 3 3 GLU C C 171.9 0.3 1 8 3 3 GLU CA C 51.7 0.3 1 9 3 3 GLU CB C 31.0 0.3 1 10 3 3 GLU N N 117.6 0.3 1 11 4 4 VAL H H 9.44 0.02 1 12 4 4 VAL C C 169.6 0.3 1 13 4 4 VAL CA C 54.8 0.3 1 14 4 4 VAL CB C 31.1 0.3 1 15 4 4 VAL N N 125.8 0.3 1 16 5 5 ILE H H 8.77 0.02 1 17 5 5 ILE C C 173.1 0.3 1 18 5 5 ILE CA C 56.6 0.3 1 19 5 5 ILE CB C 36.0 0.3 1 20 5 5 ILE N N 126.6 0.3 1 21 6 6 LEU H H 9.36 0.02 1 22 6 6 LEU C C 172.8 0.3 1 23 6 6 LEU CA C 51.7 0.3 1 24 6 6 LEU CB C 41.4 0.3 1 25 6 6 LEU N N 125.4 0.3 1 26 7 7 ALA H H 8.68 0.02 1 27 7 7 ALA C C 173.8 0.3 1 28 7 7 ALA CA C 48.5 0.3 1 29 7 7 ALA CB C 17.0 0.3 1 30 7 7 ALA N N 125.1 0.3 1 31 8 8 VAL H H 8.07 0.02 1 32 8 8 VAL C C 172.4 0.3 1 33 8 8 VAL CA C 58.6 0.3 1 34 8 8 VAL CB C 30.3 0.3 1 35 8 8 VAL N N 121.6 0.3 1 36 9 9 HIS H H 8.92 0.02 1 37 9 9 HIS CA C 52.0 0.3 1 38 9 9 HIS CB C 28.0 0.3 1 39 9 9 HIS N N 126.8 0.3 1 40 10 10 GLY H H 8.60 0.02 1 41 10 10 GLY C C 172.4 0.3 1 42 10 10 GLY CA C 42.7 0.3 1 43 10 10 GLY N N 109.1 0.3 1 44 11 11 MET H H 8.88 0.02 1 45 11 11 MET CA C 53.7 0.3 1 46 11 11 MET CB C 30.5 0.3 1 47 11 11 MET N N 120.0 0.3 1 48 12 12 THR H H 9.14 0.02 1 49 12 12 THR CA C 59.8 0.3 1 50 12 12 THR CB C 68.0 0.3 1 51 12 12 THR N N 115.3 0.3 1 52 15 15 ALA H H 8.51 0.02 1 53 15 15 ALA CA C 52.7 0.3 1 54 15 15 ALA CB C 15.0 0.3 1 55 15 15 ALA N N 126.4 0.3 1 56 16 16 CYS H H 7.71 0.02 1 57 16 16 CYS C C 174.5 0.3 1 58 16 16 CYS CA C 59.8 0.3 1 59 16 16 CYS CB C 25.7 0.3 1 60 16 16 CYS N N 118.5 0.3 1 61 17 17 THR H H 7.21 0.02 1 62 17 17 THR C C 173.9 0.3 1 63 17 17 THR CA C 62.0 0.3 1 64 17 17 THR CB C 64.6 0.3 1 65 17 17 THR N N 108.0 0.3 1 66 19 19 THR H H 8.09 0.02 1 67 19 19 THR C C 172.7 0.3 1 68 19 19 THR CA C 64.4 0.3 1 69 19 19 THR CB C 65.8 0.3 1 70 19 19 THR N N 119.4 0.3 1 71 20 20 ILE H H 7.34 0.02 1 72 20 20 ILE C C 174.4 0.3 1 73 20 20 ILE CA C 63.1 0.3 1 74 20 20 ILE CB C 35.8 0.3 1 75 20 20 ILE N N 119.9 0.3 1 76 21 21 ASN H H 8.27 0.02 1 77 21 21 ASN C C 174.7 0.3 1 78 21 21 ASN CA C 52.0 0.3 1 79 21 21 ASN CB C 36.9 0.3 1 80 21 21 ASN N N 116.7 0.3 1 81 22 22 THR H H 8.19 0.02 1 82 22 22 THR C C 174.1 0.3 1 83 22 22 THR CA C 64.2 0.3 1 84 22 22 THR CB C 66.0 0.3 1 85 22 22 THR N N 113.1 0.3 1 86 23 23 GLN H H 7.63 0.02 1 87 23 23 GLN C C 176.0 0.3 1 88 23 23 GLN CA C 55.4 0.3 1 89 23 23 GLN CB C 25.4 0.3 1 90 23 23 GLN N N 118.6 0.3 1 91 24 24 LEU H H 8.31 0.02 1 92 24 24 LEU C C 176.1 0.3 1 93 24 24 LEU CA C 54.7 0.3 1 94 24 24 LEU CB C 39.3 0.3 1 95 24 24 LEU N N 118.2 0.3 1 96 25 25 ARG H H 8.12 0.02 1 97 25 25 ARG C C 174.7 0.3 1 98 25 25 ARG CA C 54.8 0.3 1 99 25 25 ARG CB C 25.7 0.3 1 100 25 25 ARG N N 113.9 0.3 1 101 26 26 ALA H H 6.86 0.02 1 102 26 26 ALA C C 174.5 0.3 1 103 26 26 ALA CA C 49.5 0.3 1 104 26 26 ALA CB C 15.9 0.3 1 105 26 26 ALA N N 118.7 0.3 1 106 27 27 LEU H H 7.33 0.02 1 107 27 27 LEU C C 173.5 0.3 1 108 27 27 LEU CA C 51.4 0.3 1 109 27 27 LEU CB C 38.8 0.3 1 110 27 27 LEU N N 122.5 0.3 1 111 28 28 LYS H H 8.35 0.02 1 112 28 28 LYS C C 174.1 0.3 1 113 28 28 LYS CA C 55.5 0.3 1 114 28 28 LYS CB C 27.4 0.3 1 115 28 28 LYS N N 128.6 0.3 1 116 29 29 GLY H H 8.37 0.02 1 117 29 29 GLY C C 172.0 0.3 1 118 29 29 GLY CA C 42.2 0.3 1 119 29 29 GLY N N 110.6 0.3 1 120 30 30 VAL H H 7.64 0.02 1 121 30 30 VAL C C 174.4 0.3 1 122 30 30 VAL CA C 60.9 0.3 1 123 30 30 VAL CB C 28.3 0.3 1 124 30 30 VAL N N 120.9 0.3 1 125 31 31 THR H H 8.93 0.02 1 126 31 31 THR C C 172.2 0.3 1 127 31 31 THR CA C 59.6 0.3 1 128 31 31 THR CB C 66.7 0.3 1 129 31 31 THR N N 120.8 0.3 1 130 32 32 LYS H H 7.50 0.02 1 131 32 32 LYS C C 171.1 0.3 1 132 32 32 LYS CA C 53.9 0.3 1 133 32 32 LYS CB C 33.0 0.3 1 134 32 32 LYS N N 121.0 0.3 1 135 33 33 CYS H H 8.50 0.02 1 136 33 33 CYS C C 169.2 0.3 1 137 33 33 CYS CA C 55.0 0.3 1 138 33 33 CYS CB C 25.9 0.3 1 139 33 33 CYS N N 122.2 0.3 1 140 34 34 ASP H H 8.84 0.02 1 141 34 34 ASP C C 171.5 0.3 1 142 34 34 ASP CA C 51.0 0.3 1 143 34 34 ASP CB C 41.9 0.3 1 144 34 34 ASP N N 127.2 0.3 1 145 35 35 ILE H H 8.60 0.02 1 146 35 35 ILE C C 171.4 0.3 1 147 35 35 ILE CA C 57.6 0.3 1 148 35 35 ILE CB C 37.9 0.3 1 149 35 35 ILE N N 123.4 0.3 1 150 37 37 LEU H H 9.00 0.02 1 151 37 37 LEU C C 174.0 0.3 1 152 37 37 LEU CA C 53.0 0.3 1 153 37 37 LEU CB C 38.9 0.3 1 154 37 37 LEU N N 128.2 0.3 1 155 38 38 VAL H H 8.04 0.02 1 156 38 38 VAL C C 175.2 0.3 1 157 38 38 VAL CA C 62.2 0.3 1 158 38 38 VAL CB C 29.4 0.3 1 159 38 38 VAL N N 118.7 0.3 1 160 39 39 THR H H 7.37 0.02 1 161 39 39 THR C C 172.8 0.3 1 162 39 39 THR CA C 58.5 0.3 1 163 39 39 THR CB C 67.0 0.3 1 164 39 39 THR N N 105.7 0.3 1 165 40 40 ASN H H 7.49 0.02 1 166 40 40 ASN C C 170.3 0.3 1 167 40 40 ASN CA C 52.8 0.3 1 168 40 40 ASN CB C 34.0 0.3 1 169 40 40 ASN N N 115.8 0.3 1 170 41 41 GLU H H 7.33 0.02 1 171 41 41 GLU C C 172.9 0.3 1 172 41 41 GLU CA C 51.6 0.3 1 173 41 41 GLU CB C 30.4 0.3 1 174 41 41 GLU N N 114.5 0.3 1 175 42 42 CYS H H 9.11 0.02 1 176 42 42 CYS C C 169.3 0.3 1 177 42 42 CYS CA C 53.4 0.3 1 178 42 42 CYS CB C 26.6 0.3 1 179 42 42 CYS N N 122.5 0.3 1 180 43 43 GLN H H 9.15 0.02 1 181 43 43 GLN C C 172.6 0.3 1 182 43 43 GLN CA C 51.6 0.3 1 183 43 43 GLN CB C 27.4 0.3 1 184 43 43 GLN N N 129.1 0.3 1 185 44 44 VAL H H 9.38 0.02 1 186 44 44 VAL C C 172.3 0.3 1 187 44 44 VAL CA C 58.2 0.3 1 188 44 44 VAL CB C 32.0 0.3 1 189 44 44 VAL N N 127.9 0.3 1 190 45 45 THR H H 8.65 0.02 1 191 45 45 THR C C 171.3 0.3 1 192 45 45 THR CA C 58.9 0.3 1 193 45 45 THR CB C 66.6 0.3 1 194 45 45 THR N N 124.6 0.3 1 195 46 46 TYR H H 9.29 0.02 1 196 46 46 TYR C C 169.5 0.3 1 197 46 46 TYR CA C 52.8 0.3 1 198 46 46 TYR CB C 38.5 0.3 1 199 46 46 TYR N N 125.0 0.3 1 200 47 47 ASP H H 8.68 0.02 1 201 47 47 ASP C C 173.6 0.3 1 202 47 47 ASP CA C 49.5 0.3 1 203 47 47 ASP CB C 40.5 0.3 1 204 47 47 ASP N N 122.4 0.3 1 205 48 48 ASN H H 8.27 0.02 1 206 48 48 ASN C C 173.5 0.3 1 207 48 48 ASN CA C 52.6 0.3 1 208 48 48 ASN CB C 35.5 0.3 1 209 48 48 ASN N N 111.9 0.3 1 210 49 49 GLU H H 8.80 0.02 1 211 49 49 GLU C C 173.0 0.3 1 212 49 49 GLU CA C 55.3 0.3 1 213 49 49 GLU CB C 26.5 0.3 1 214 49 49 GLU N N 119.3 0.3 1 215 51 51 THR H H 6.98 0.02 1 216 51 51 THR C C 172.4 0.3 1 217 51 51 THR CA C 56.3 0.3 1 218 51 51 THR CB C 69.9 0.3 1 219 51 51 THR N N 108.2 0.3 1 220 52 52 ALA H H 8.74 0.02 1 221 52 52 ALA C C 176.1 0.3 1 222 52 52 ALA CA C 52.4 0.3 1 223 52 52 ALA CB C 14.3 0.3 1 224 52 52 ALA N N 122.8 0.3 1 225 53 53 ASP H H 7.82 0.02 1 226 53 53 ASP C C 175.9 0.3 1 227 53 53 ASP CA C 54.7 0.3 1 228 53 53 ASP CB C 37.6 0.3 1 229 53 53 ASP N N 114.7 0.3 1 230 54 54 SER H H 7.72 0.02 1 231 54 54 SER C C 174.6 0.3 1 232 54 54 SER CA C 58.9 0.3 1 233 54 54 SER CB C 59.6 0.3 1 234 54 54 SER N N 117.2 0.3 1 235 57 57 GLU H H 7.68 0.02 1 236 57 57 GLU C C 175.9 0.3 1 237 57 57 GLU CA C 56.6 0.3 1 238 57 57 GLU CB C 26.6 0.3 1 239 57 57 GLU N N 116.8 0.3 1 240 58 58 ILE H H 7.49 0.02 1 241 58 58 ILE C C 176.2 0.3 1 242 58 58 ILE CA C 60.7 0.3 1 243 58 58 ILE CB C 33.8 0.3 1 244 58 58 ILE N N 119.5 0.3 1 245 59 59 ILE H H 7.59 0.02 1 246 59 59 ILE C C 176.1 0.3 1 247 59 59 ILE CA C 64.3 0.3 1 248 59 59 ILE CB C 34.8 0.3 1 249 59 59 ILE N N 121.6 0.3 1 250 60 60 GLU H H 8.26 0.02 1 251 60 60 GLU C C 179.6 0.3 1 252 60 60 GLU CA C 56.2 0.3 1 253 60 60 GLU CB C 25.0 0.3 1 254 60 60 GLU N N 119.6 0.3 1 255 61 61 ASP H H 8.63 0.02 1 256 61 61 ASP C C 175.7 0.3 1 257 61 61 ASP CA C 54.1 0.3 1 258 61 61 ASP CB C 37.7 0.3 1 259 61 61 ASP N N 122.8 0.3 1 260 62 62 CYS H H 7.79 0.02 1 261 62 62 CYS C C 171.2 0.3 1 262 62 62 CYS CA C 58.2 0.3 1 263 62 62 CYS CB C 24.3 0.3 1 264 62 62 CYS N N 115.9 0.3 1 265 63 63 GLY H H 7.89 0.02 1 266 63 63 GLY C C 170.4 0.3 1 267 63 63 GLY CA C 41.7 0.3 1 268 63 63 GLY N N 105.4 0.3 1 269 64 64 PHE H H 7.06 0.02 1 270 64 64 PHE C C 171.2 0.3 1 271 64 64 PHE CA C 54.1 0.3 1 272 64 64 PHE CB C 38.1 0.3 1 273 64 64 PHE N N 119.2 0.3 1 274 65 65 ASP H H 8.06 0.02 1 275 65 65 ASP C C 172.8 0.3 1 276 65 65 ASP CA C 51.2 0.3 1 277 65 65 ASP CB C 39.3 0.3 1 278 65 65 ASP N N 120.8 0.3 1 279 66 66 CYS H H 9.02 0.02 1 280 66 66 CYS C C 169.8 0.3 1 281 66 66 CYS CA C 53.2 0.3 1 282 66 66 CYS CB C 29.3 0.3 1 283 66 66 CYS N N 116.5 0.3 1 284 67 67 GLU H H 8.29 0.02 1 285 67 67 GLU C C 172.9 0.3 1 286 67 67 GLU CA C 51.8 0.3 1 287 67 67 GLU CB C 30.6 0.3 1 288 67 67 GLU N N 116.4 0.3 1 289 68 68 ILE H H 9.05 0.02 1 290 68 68 ILE C C 173.2 0.3 1 291 68 68 ILE CA C 60.7 0.3 1 292 68 68 ILE CB C 35.4 0.3 1 293 68 68 ILE N N 123.9 0.3 1 294 69 69 LEU H H 9.45 0.02 1 295 69 69 LEU C C 174.9 0.3 1 296 69 69 LEU CA C 53.1 0.3 1 297 69 69 LEU CB C 39.4 0.3 1 298 69 69 LEU N N 129.8 0.3 1 299 70 70 ARG H H 7.50 0.02 1 300 70 70 ARG C C 170.0 0.3 1 301 70 70 ARG CA C 52.9 0.3 1 302 70 70 ARG CB C 30.3 0.3 1 303 70 70 ARG N N 116.1 0.3 1 304 71 71 ASP H H 8.31 0.02 1 305 71 71 ASP C C 173.6 0.3 1 306 71 71 ASP CA C 51.8 0.3 1 307 71 71 ASP CB C 42.2 0.3 1 308 71 71 ASP N N 123.3 0.3 1 309 72 72 SER H H 8.62 0.02 1 310 72 72 SER C C 169.7 0.3 1 311 72 72 SER CA C 54.7 0.3 1 312 72 72 SER CB C 63.3 0.3 1 313 72 72 SER N N 118.6 0.3 1 314 73 73 GLU H H 8.58 0.02 1 315 73 73 GLU C C 173.9 0.3 1 316 73 73 GLU CA C 54.2 0.3 1 317 73 73 GLU CB C 27.7 0.3 1 318 73 73 GLU N N 121.6 0.3 1 319 74 74 ILE H H 8.21 0.02 1 320 74 74 ILE C C 173.0 0.3 1 321 74 74 ILE CA C 58.2 0.3 1 322 74 74 ILE CB C 30.2 0.3 1 323 74 74 ILE N N 124.1 0.3 1 324 75 75 THR H H 8.13 0.02 1 325 75 75 THR C C 171.4 0.3 1 326 75 75 THR CA C 59.0 0.3 1 327 75 75 THR CB C 67.0 0.3 1 328 75 75 THR N N 118.5 0.3 1 329 76 76 ALA H H 8.23 0.02 1 330 76 76 ALA C C 174.6 0.3 1 331 76 76 ALA CA C 49.7 0.3 1 332 76 76 ALA CB C 16.3 0.3 1 333 76 76 ALA N N 126.9 0.3 1 334 77 77 ILE H H 8.02 0.02 1 335 77 77 ILE C C 173.6 0.3 1 336 77 77 ILE CA C 58.2 0.3 1 337 77 77 ILE CB C 35.7 0.3 1 338 77 77 ILE N N 120.2 0.3 1 339 78 78 SER H H 8.32 0.02 1 340 78 78 SER C C 172.2 0.3 1 341 78 78 SER CA C 55.3 0.3 1 342 78 78 SER CB C 61.0 0.3 1 343 78 78 SER N N 119.6 0.3 1 344 79 79 THR H H 8.15 0.02 1 345 79 79 THR C C 171.7 0.3 1 346 79 79 THR CA C 59.1 0.3 1 347 79 79 THR CB C 66.9 0.3 1 348 79 79 THR N N 116.7 0.3 1 349 81 81 GLU H H 8.51 0.02 1 350 81 81 GLU C C 174.2 0.3 1 351 81 81 GLU CA C 54.0 0.3 1 352 81 81 GLU CB C 27.0 0.3 1 353 81 81 GLU N N 123.5 0.3 1 354 82 82 GLY H H 8.25 0.02 1 355 82 82 GLY C C 171.5 0.3 1 356 82 82 GLY CA C 42.5 0.3 1 357 82 82 GLY N N 109.5 0.3 1 358 83 83 LEU H H 7.90 0.02 1 359 83 83 LEU C C 174.7 0.3 1 360 83 83 LEU CA C 52.5 0.3 1 361 83 83 LEU CB C 39.6 0.3 1 362 83 83 LEU N N 121.4 0.3 1 363 84 84 LEU H H 8.19 0.02 1 364 84 84 LEU C C 173.9 0.3 1 365 84 84 LEU CA C 51.3 0.3 1 366 84 84 LEU CB C 38.5 0.3 1 367 84 84 LEU N N 121.5 0.3 1 368 86 86 VAL H H 7.10 0.02 1 369 86 86 VAL C C 173.6 0.3 1 370 86 86 VAL CA C 62.3 0.3 1 371 86 86 VAL CB C 34.6 0.3 1 372 86 86 VAL N N 123.6 0.3 1 373 88 88 GLY H H 8.35 0.02 1 374 88 88 GLY C C 172.0 0.3 1 375 88 88 GLY CA C 42.4 0.3 1 376 88 88 GLY N N 111.2 0.3 1 377 89 89 MET H H 8.86 0.02 1 378 89 89 MET C C 174.2 0.3 1 379 89 89 MET CA C 53.6 0.3 1 380 89 89 MET CB C 27.4 0.3 1 381 89 89 MET N N 119.8 0.3 1 382 90 90 THR H H 7.99 0.02 1 383 90 90 THR C C 171.7 0.3 1 384 90 90 THR CA C 59.3 0.3 1 385 90 90 THR CB C 66.9 0.3 1 386 90 90 THR N N 115.1 0.3 1 387 91 91 CYS H H 8.31 0.02 1 388 91 91 CYS C C 173.6 0.3 1 389 91 91 CYS CA C 53.7 0.3 1 390 91 91 CYS CB C 27.1 0.3 1 391 91 91 CYS N N 123.5 0.3 1 392 92 92 GLY H H 8.47 0.02 1 393 92 92 GLY C C 171.2 0.3 1 394 92 92 GLY CA C 42.4 0.3 1 395 92 92 GLY N N 110.6 0.3 1 396 93 93 SER H H 8.17 0.02 1 397 93 93 SER C C 172.7 0.3 1 398 93 93 SER CA C 59.1 0.3 1 399 93 93 SER CB C 61.0 0.3 1 400 93 93 SER N N 115.3 0.3 1 401 94 94 CYS H H 8.27 0.02 1 402 94 94 CYS C C 173.3 0.3 1 403 94 94 CYS CA C 57.8 0.3 1 404 94 94 CYS CB C 35.9 0.3 1 405 94 94 CYS N N 125.1 0.3 1 406 95 95 VAL H H 8.26 0.02 1 407 95 95 VAL C C 172.5 0.3 1 408 95 95 VAL CA C 59.5 0.3 1 409 95 95 VAL CB C 36.1 0.3 1 410 95 95 VAL N N 125.8 0.3 1 411 96 96 SER H H 7.90 0.02 1 412 96 96 SER C C 175.8 0.3 1 413 96 96 SER CA C 57.1 0.3 1 414 96 96 SER CB C 61.7 0.3 1 415 96 96 SER N N 125.7 0.3 1 416 97 97 THR H H 8.13 0.02 1 417 97 97 THR C C 173.4 0.3 1 418 97 97 THR CA C 59.1 0.3 1 419 97 97 THR CB C 66.8 0.3 1 420 97 97 THR N N 116.3 0.3 1 421 98 98 VAL H H 8.06 0.02 1 422 98 98 VAL C C 173.1 0.3 1 423 98 98 VAL CA C 59.6 0.3 1 424 98 98 VAL CB C 29.7 0.3 1 425 98 98 VAL N N 122.5 0.3 1 426 99 99 THR H H 8.16 0.02 1 427 99 99 THR C C 171.4 0.3 1 428 99 99 THR CA C 58.8 0.3 1 429 99 99 THR CB C 66.9 0.3 1 430 99 99 THR N N 118.9 0.3 1 431 100 100 LYS H H 8.31 0.02 1 432 100 100 LYS C C 172.6 0.3 1 433 100 100 LYS CA C 53.7 0.3 1 434 100 100 LYS CB C 30.2 0.3 1 435 100 100 LYS N N 123.8 0.3 1 436 101 101 GLN H H 7.94 0.02 1 437 101 101 GLN CA C 55.2 0.3 1 438 101 101 GLN CB C 28.0 0.3 1 439 101 101 GLN N N 127.7 0.3 1 440 103 103 GLU H H 8.49 0.02 1 441 103 103 GLU C C 174.2 0.3 1 442 103 103 GLU CA C 53.8 0.3 1 443 103 103 GLU CB C 27.2 0.3 1 444 103 103 GLU N N 124.6 0.3 1 445 104 104 GLY H H 8.28 0.02 1 446 104 104 GLY C C 171.0 0.3 1 447 104 104 GLY CA C 42.3 0.3 1 448 104 104 GLY N N 109.7 0.3 1 449 105 105 ILE H H 7.89 0.02 1 450 105 105 ILE C C 173.6 0.3 1 451 105 105 ILE CA C 58.3 0.3 1 452 105 105 ILE CB C 35.7 0.3 1 453 105 105 ILE N N 119.7 0.3 1 454 106 106 GLU H H 8.51 0.02 1 455 106 106 GLU C C 174.2 0.3 1 456 106 106 GLU CA C 54.0 0.3 1 457 106 106 GLU CB C 27.0 0.3 1 458 106 106 GLU N N 124.0 0.3 1 459 107 107 GLY H H 8.35 0.02 1 460 107 107 GLY C C 171.3 0.3 1 461 107 107 GLY CA C 42.4 0.3 1 462 107 107 GLY N N 110.3 0.3 1 463 108 108 VAL H H 7.84 0.02 1 464 108 108 VAL C C 173.5 0.3 1 465 108 108 VAL CA C 59.4 0.3 1 466 108 108 VAL CB C 29.8 0.3 1 467 108 108 VAL N N 119.0 0.3 1 468 109 109 GLU H H 8.22 0.02 1 469 109 109 GLU C C 173.2 0.3 1 470 109 109 GLU CA C 54.9 0.3 1 471 109 109 GLU CB C 29.9 0.3 1 472 109 109 GLU N N 125.4 0.3 1 473 110 110 SER H H 8.29 0.02 1 474 110 110 SER C C 171.4 0.3 1 475 110 110 SER CA C 55.3 0.3 1 476 110 110 SER CB C 61.0 0.3 1 477 110 110 SER N N 120.0 0.3 1 478 111 111 VAL H H 8.07 0.02 1 479 111 111 VAL C C 173.1 0.3 1 480 111 111 VAL CA C 59.5 0.3 1 481 111 111 VAL CB C 29.9 0.3 1 482 111 111 VAL N N 122.4 0.3 1 483 112 112 VAL H H 8.20 0.02 1 484 112 112 VAL C C 173.3 0.3 1 485 112 112 VAL CA C 59.5 0.3 1 486 112 112 VAL CB C 29.8 0.3 1 487 112 112 VAL N N 125.3 0.3 1 488 113 113 VAL H H 8.19 0.02 1 489 113 113 VAL C C 173.3 0.3 1 490 113 113 VAL CA C 59.6 0.3 1 491 113 113 VAL CB C 29.6 0.3 1 492 113 113 VAL N N 125.3 0.3 1 493 115 115 LEU H H 7.91 0.02 1 494 115 115 LEU C C 173.0 0.3 1 495 115 115 LEU CA C 58.1 0.3 1 496 115 115 LEU CB C 40.4 0.3 1 497 115 115 LEU N N 130.6 0.3 1 498 116 116 VAL H H 8.24 0.02 1 499 116 116 VAL C C 173.4 0.3 1 500 116 116 VAL CA C 58.8 0.3 1 501 116 116 VAL CB C 30.0 0.3 1 502 116 116 VAL N N 125.6 0.3 1 503 117 117 THR H H 8.20 0.02 1 504 117 117 THR C C 171.4 0.3 1 505 117 117 THR CA C 58.8 0.3 1 506 117 117 THR CB C 66.8 0.3 1 507 117 117 THR N N 118.7 0.3 1 508 118 118 GLU H H 8.26 0.02 1 509 118 118 GLU C C 173.3 0.3 1 510 118 118 GLU CA C 53.5 0.3 1 511 118 118 GLU CB C 30.1 0.3 1 512 118 118 GLU N N 124.3 0.3 1 513 119 119 GLU H H 8.37 0.02 1 514 119 119 GLU C C 173.0 0.3 1 515 119 119 GLU CA C 53.0 0.3 1 516 119 119 GLU CB C 26.5 0.3 1 517 119 119 GLU N N 122.8 0.3 1 518 120 120 CYS H H 8.18 0.02 1 519 120 120 CYS C C 173.9 0.3 1 520 120 120 CYS CA C 59.5 0.3 1 521 120 120 CYS CB C 29.9 0.3 1 522 120 120 CYS N N 122.0 0.3 1 523 121 121 HIS H H 8.43 0.02 1 524 121 121 HIS C C 174.0 0.3 1 525 121 121 HIS CA C 53.7 0.3 1 526 121 121 HIS CB C 27.3 0.3 1 527 121 121 HIS N N 124.8 0.3 1 528 122 122 VAL H H 8.27 0.02 1 529 122 122 VAL C C 174.6 0.3 1 530 122 122 VAL CA C 60.3 0.3 1 531 122 122 VAL CB C 29.1 0.3 1 532 122 122 VAL N N 122.2 0.3 1 533 127 127 SER H H 8.15 0.02 1 534 127 127 SER C C 171.9 0.3 1 535 127 127 SER CA C 59.0 0.3 1 536 127 127 SER CB C 66.8 0.3 1 537 127 127 SER N N 115.5 0.3 1 538 128 128 LYS H H 8.24 0.02 1 539 128 128 LYS C C 174.1 0.3 1 540 128 128 LYS CA C 53.8 0.3 1 541 128 128 LYS CB C 29.9 0.3 1 542 128 128 LYS N N 123.0 0.3 1 543 129 129 THR H H 8.11 0.02 1 544 129 129 THR C C 171.9 0.3 1 545 129 129 THR CA C 59.2 0.3 1 546 129 129 THR CB C 66.9 0.3 1 547 129 129 THR N N 115.1 0.3 1 548 130 130 THR H H 8.03 0.02 1 549 130 130 THR C C 171.3 0.3 1 550 130 130 THR CA C 59.0 0.3 1 551 130 130 THR CB C 66.8 0.3 1 552 130 130 THR N N 116.7 0.3 1 553 131 131 LEU H H 9.22 0.02 1 554 131 131 LEU CA C 52.8 0.3 1 555 131 131 LEU CB C 38.7 0.3 1 556 131 131 LEU N N 124.3 0.3 1 557 133 133 THR H H 8.01 0.02 1 558 133 133 THR C C 171.7 0.3 1 559 133 133 THR CA C 59.1 0.3 1 560 133 133 THR CB C 66.8 0.3 1 561 133 133 THR N N 115.6 0.3 1 562 134 134 ALA H H 8.17 0.02 1 563 134 134 ALA C C 174.6 0.3 1 564 134 134 ALA CA C 49.7 0.3 1 565 134 134 ALA CB C 16.3 0.3 1 566 134 134 ALA N N 126.5 0.3 1 567 135 135 ARG H H 8.04 0.02 1 568 135 135 ARG C C 173.6 0.3 1 569 135 135 ARG CA C 54.1 0.3 1 570 135 135 ARG CB C 35.7 0.3 1 571 135 135 ARG N N 120.2 0.3 1 572 136 136 GLU H H 8.49 0.02 1 573 136 136 GLU C C 174.2 0.3 1 574 136 136 GLU CA C 58.4 0.3 1 575 136 136 GLU CB C 27.6 0.3 1 576 136 136 GLU N N 125.0 0.3 1 577 140 140 ASP H H 8.36 0.02 1 578 140 140 ASP C C 173.0 0.3 1 579 140 140 ASP CA C 52.4 0.3 1 580 140 140 ASP CB C 39.6 0.3 1 581 140 140 ASP N N 126.0 0.3 1 582 142 142 GLY H H 8.23 0.02 1 583 142 142 GLY C C 171.5 0.3 1 584 142 142 GLY CA C 42.7 0.3 1 585 142 142 GLY N N 109.0 0.3 1 586 143 143 PHE H H 7.92 0.02 1 587 143 143 PHE C C 172.6 0.3 1 588 143 143 PHE CA C 54.7 0.3 1 589 143 143 PHE CB C 36.8 0.3 1 590 143 143 PHE N N 119.7 0.3 1 591 144 144 ASP H H 8.23 0.02 1 592 144 144 ASP C C 173.4 0.3 1 593 144 144 ASP CA C 51.2 0.3 1 594 144 144 ASP CB C 38.4 0.3 1 595 144 144 ASP N N 122.1 0.3 1 596 145 145 SER H H 8.11 0.02 1 597 145 145 SER C C 171.7 0.3 1 598 145 145 SER CA C 56.0 0.3 1 599 145 145 SER CB C 60.7 0.3 1 600 145 145 SER N N 116.8 0.3 1 601 146 146 ASN H H 8.40 0.02 1 602 146 146 ASN C C 172.3 0.3 1 603 146 146 ASN CA C 50.7 0.3 1 604 146 146 ASN CB C 35.7 0.3 1 605 146 146 ASN N N 120.3 0.3 1 606 148 148 ILE H H 8.08 0.02 1 607 148 148 ILE C C 173.5 0.3 1 608 148 148 ILE CA C 58.2 0.3 1 609 148 148 ILE CB C 27.2 0.3 1 610 148 148 ILE N N 125.3 0.3 1 611 149 149 MET H H 8.37 0.02 1 612 149 149 MET C C 173.3 0.3 1 613 149 149 MET CA C 53.8 0.3 1 614 149 149 MET CB C 27.5 0.3 1 615 149 149 MET N N 124.8 0.3 1 616 150 150 ASP H H 8.30 0.02 1 617 150 150 ASP C C 174.1 0.3 1 618 150 150 ASP CA C 51.4 0.3 1 619 150 150 ASP CB C 38.4 0.3 1 620 150 150 ASP N N 121.7 0.3 1 stop_ save_