data_27782 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1HN, 13C, and 15N Resonance Assignments of human Calmodulin bound to CaMBP2 peptide ; _BMRB_accession_number 27782 _BMRB_flat_file_name bmr27782.str _Entry_type original _Submission_date 2019-02-12 _Accession_date 2019-02-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift assignments for novel human Calmodulin fold in the presence of CaMBP2 peptide.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Varney Kristen M. . 2 Wilder Paul T. . 3 Raquel Godoy-Ruiz . . 4 Mancia Filippo . . 5 Weber David J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 130 "13C chemical shifts" 219 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-20 update BMRB 'update entry citation' 2019-04-12 original author 'original release' stop_ _Original_release_date 2019-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1HN, 13C, and 15N resonance assignments of human calmodulin bound to a peptide derived from the STRA6 vitamin A transporter (CaMBP2) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30875027 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Varney Kristen M. . 2 Wilder Paul T. . 3 Godoy-Ruiz Raquel . . 4 Mancia Filippo . . 5 Weber David J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 275 _Page_last 278 _Year 2019 _Details . loop_ _Keyword STRA6 calmodulin 'retinoic acid' 'vitamin A' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Calmodulin bound to CaMBP2 peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Calmodulin $Calmodulin CaMBP2 $CaMBP2 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_Calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_CaMBP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaMBP2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 27 _Mol_residue_sequence ; VSNAKRARAHWQLLYTLVNN PSLVGSR ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 SER 3 ASN 4 ALA 5 LYS 6 ARG 7 ALA 8 ARG 9 ALA 10 HIS 11 TRP 12 GLN 13 LEU 14 LEU 15 TYR 16 THR 17 LEU 18 VAL 19 ASN 20 ASN 21 PRO 22 SER 23 LEU 24 VAL 25 GLY 26 SER 27 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Calmodulin Human 9606 Eukaryota Metazoa Homo sapiens $CaMBP2 zebrafish 7955 Eukaryota Metazoa Danio rerio 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 $Calmodulin 'recombinant technology' . . . . pET24 $CaMBP2 'chemical synthesis' . . . . . 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 $Calmodulin 0.25 mM '[U-13C; U-15N]' $CaMBP2 0.25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 950 _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_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 80 . mM pH 7.4 . 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 TSP C 13 'methyl carbon' na 0.00 external indirect . . . 0.251449530 TSP H 1 protons ppm 0.00 external indirect . . . 1.0 TSP N 15 nitrogen na 0.00 external 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 '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D HN(CO)CA' 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 Calmodulin _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 GLN H H 8.26 . 1 2 3 3 GLN C C 175.23 . 1 3 3 3 GLN CA C 55.12 . 1 4 3 3 GLN N N 120.28 . 1 5 4 4 LEU H H 8.27 . 1 6 4 4 LEU C C 176.93 . 1 7 4 4 LEU CA C 53.86 . 1 8 4 4 LEU N N 123.67 . 1 9 5 5 THR H H 8.64 . 1 10 5 5 THR C C 174.98 . 1 11 5 5 THR CA C 59.92 . 1 12 5 5 THR N N 113.38 . 1 13 6 6 GLU H H 9.00 . 1 14 6 6 GLU C C 179.12 . 1 15 6 6 GLU CA C 59.77 . 1 16 6 6 GLU N N 121.26 . 1 17 7 7 GLU H H 8.70 . 1 18 7 7 GLU C C 180.67 . 1 19 7 7 GLU CA C 59.60 . 1 20 7 7 GLU N N 120.44 . 1 21 8 8 GLN H H 7.74 . 1 22 8 8 GLN C C 178.91 . 1 23 8 8 GLN CA C 59.24 . 1 24 8 8 GLN N N 120.57 . 1 25 9 9 ILE H H 8.14 . 1 26 9 9 ILE C C 178.69 . 1 27 9 9 ILE CA C 66.23 . 1 28 9 9 ILE N N 120.69 . 1 29 10 10 ALA H H 7.94 . 1 30 10 10 ALA C C 177.45 . 1 31 10 10 ALA CA C 54.93 . 1 32 10 10 ALA N N 122.12 . 1 33 11 11 GLU H H 7.70 . 1 34 11 11 GLU C C 177.95 . 1 35 11 11 GLU CA C 58.63 . 1 36 11 11 GLU N N 119.66 . 1 37 12 12 PHE H H 8.34 . 1 38 12 12 PHE C C 178.24 . 1 39 12 12 PHE CA C 59.00 . 1 40 12 12 PHE N N 120.5 . 1 41 13 13 LYS H H 9.19 . 1 42 13 13 LYS C C 180.57 . 1 43 13 13 LYS CA C 59.41 . 1 44 13 13 LYS N N 124.78 . 1 45 14 14 GLU H H 7.76 . 1 46 14 14 GLU C C 178.66 . 1 47 14 14 GLU CA C 59.00 . 1 48 14 14 GLU N N 119.88 . 1 49 15 15 ALA H H 7.95 . 1 50 15 15 ALA C C 176.32 . 1 51 15 15 ALA CA C 54.95 . 1 52 15 15 ALA N N 122.12 . 1 53 16 16 PHE H H 8.88 . 1 54 16 16 PHE C C 177.74 . 1 55 16 16 PHE CA C 62.23 . 1 56 16 16 PHE N N 120.39 . 1 57 17 17 SER H H 7.89 . 1 58 17 17 SER C C 174.10 . 1 59 17 17 SER CA C 61.16 . 1 60 17 17 SER N N 113.83 . 1 61 18 18 LEU H H 7.21 . 1 62 18 18 LEU C C 176.50 . 1 63 18 18 LEU CA C 53.23 . 1 64 18 18 LEU N N 122.19 . 1 65 19 19 PHE H H 7.40 . 1 66 19 19 PHE C C 176.18 . 1 67 19 19 PHE N N 114.5 . 1 68 20 20 ASP H H 7.74 . 1 69 20 20 ASP C C 176.47 . 1 70 20 20 ASP CA C 51.87 . 1 71 20 20 ASP N N 118.38 . 1 72 21 21 LYS H H 7.46 . 1 73 21 21 LYS C C 177.63 . 1 74 21 21 LYS CA C 57.87 . 1 75 21 21 LYS N N 125.26 . 1 76 22 22 ASP H H 8.03 . 1 77 22 22 ASP C C 172.86 . 1 78 22 22 ASP CA C 52.38 . 1 79 22 22 ASP N N 114.88 . 1 80 23 23 GLY H H 7.64 . 1 81 23 23 GLY C C 174.63 . 1 82 23 23 GLY CA C 46.76 . 1 83 23 23 GLY N N 110.15 . 1 84 24 24 ASP H H 8.32 . 1 85 24 24 ASP C C 176.89 . 1 86 24 24 ASP CA C 52.31 . 1 87 24 24 ASP N N 120.77 . 1 88 25 25 GLY H H 10.54 . 1 89 25 25 GLY C C 173.45 . 1 90 25 25 GLY CA C 44.91 . 1 91 25 25 GLY N N 113.76 . 1 92 26 26 THR H H 8.13 . 1 93 26 26 THR C C 172.79 . 1 94 26 26 THR CA C 59.05 . 1 95 26 26 THR N N 112.94 . 1 96 27 27 ILE H H 9.86 . 1 97 27 27 ILE C C 175.65 . 1 98 27 27 ILE CA C 60.28 . 1 99 27 27 ILE N N 127.34 . 1 100 28 28 THR H H 8.35 . 1 101 28 28 THR C C 176.33 . 1 102 28 28 THR CA C 59.00 . 1 103 28 28 THR N N 117.38 . 1 104 29 29 THR H H 9.20 . 1 105 29 29 THR C C 179.46 . 1 106 29 29 THR CA C 65.99 . 1 107 29 29 THR N N 113.38 . 1 108 30 30 LYS H H 7.59 . 1 109 30 30 LYS C C 178.76 . 1 110 30 30 LYS CA C 58.89 . 1 111 30 30 LYS N N 122.19 . 1 112 31 31 GLU H H 7.71 . 1 113 31 31 GLU C C 178.98 . 1 114 31 31 GLU CA C 59.10 . 1 115 31 31 GLU N N 122.43 . 1 116 32 32 LEU H H 8.59 . 1 117 32 32 LEU C C 178.45 . 1 118 32 32 LEU CA C 57.35 . 1 119 32 32 LEU N N 121.30 . 1 120 33 33 GLY H H 8.71 . 1 121 33 33 GLY C C 174.56 . 1 122 33 33 GLY CA C 47.94 . 1 123 33 33 GLY N N 107.74 . 1 124 34 34 THR H H 7.90 . 1 125 34 34 THR C C 176.57 . 1 126 34 34 THR CA C 66.50 . 1 127 34 34 THR N N 119.18 . 1 128 35 35 VAL H H 7.45 . 1 129 35 35 VAL C C 177.60 . 1 130 35 35 VAL CA C 65.78 . 1 131 35 35 VAL N N 122.58 . 1 132 36 36 MET H H 8.45 . 1 133 36 36 MET C C 178.06 . 1 134 36 36 MET CA C 59.72 . 1 135 36 36 MET N N 118.66 . 1 136 37 37 ARG H H 8.53 . 1 137 37 37 ARG C C 180.78 . 1 138 37 37 ARG CA C 59.50 . 1 139 37 37 ARG N N 119.93 . 1 140 38 38 SER H H 7.94 . 1 141 38 38 SER CA C 61.20 . 1 142 38 38 SER N N 120.17 . 1 143 39 39 LEU H H 7.43 . 1 144 39 39 LEU C C 176.50 . 1 145 39 39 LEU CA C 56.53 . 1 146 39 39 LEU N N 121.39 . 1 147 40 40 GLY H H 7.87 . 1 148 40 40 GLY C C 173.71 . 1 149 40 40 GLY CA C 45.22 . 1 150 40 40 GLY N N 107.90 . 1 151 41 41 GLN H H 7.65 . 1 152 41 41 GLN C C 173.53 . 1 153 41 41 GLN CA C 52.80 . 1 154 41 41 GLN N N 118.00 . 1 155 42 42 ASN H H 8.62 . 1 156 42 42 ASN CA C 50.51 . 1 157 42 42 ASN N N 117.60 . 1 158 43 43 PRO C C 177.00 . 1 159 44 44 THR H H 8.65 . 1 160 44 44 THR C C 174.00 . 1 161 44 44 THR CA C 59.96 . 1 162 44 44 THR N N 113.68 . 1 163 45 45 GLU H H 8.65 . 1 164 45 45 GLU C C 178.66 . 1 165 45 45 GLU CA C 59.51 . 1 166 45 45 GLU N N 121.85 . 1 167 46 46 ALA C C 177.67 . 1 168 46 46 ALA CA C 54.63 . 1 169 46 46 ALA N N 121.90 . 1 170 47 47 GLU H H 7.69 . 1 171 47 47 GLU C C 178.91 . 1 172 47 47 GLU CA C 58.62 . 1 173 47 47 GLU N N 118.90 . 1 174 48 48 LEU H H 8.17 . 1 175 48 48 LEU C C 178.41 . 1 176 48 48 LEU CA C 58.84 . 1 177 48 48 LEU N N 120.79 . 1 178 49 49 GLN H H 8.28 . 1 179 49 49 GLN C C 178.91 . 1 180 49 49 GLN CA C 58.82 . 1 181 49 49 GLN N N 118.93 . 1 182 50 50 ASP H H 8.23 . 1 183 50 50 ASP CA C 55.30 . 1 184 50 50 ASP N N 120.13 . 1 185 51 51 MET H H 7.94 . 1 186 51 51 MET N N 120.14 . 1 187 52 52 ILE H H 7.53 . 1 188 52 52 ILE N N 119.26 . 1 189 53 53 ASN H H 8.79 . 1 190 53 53 ASN C C 176.50 . 1 191 53 53 ASN CA C 55.24 . 1 192 53 53 ASN N N 118.91 . 1 193 54 54 GLU H H 7.45 . 1 194 54 54 GLU CA C 58.27 . 1 195 54 54 GLU N N 117.20 . 1 196 56 56 ASP H H 7.71 . 1 197 56 56 ASP C C 175.30 . 1 198 56 56 ASP CA C 53.6 . 1 199 56 56 ASP N N 122.43 . 1 200 57 57 ALA H H 8.38 . 1 201 57 57 ALA C C 177.95 . 1 202 57 57 ALA CA C 53.70 . 1 203 57 57 ALA N N 132.65 . 1 204 58 58 ASP H H 8.14 . 1 205 58 58 ASP C C 177.42 . 1 206 58 58 ASP CA C 52.21 . 1 207 58 58 ASP N N 114.74 . 1 208 59 59 GLY H H 7.50 . 1 209 59 59 GLY C C 174.85 . 1 210 59 59 GLY CA C 46.70 . 1 211 59 59 GLY N N 109.36 . 1 212 60 60 ASN H H 8.11 . 1 213 60 60 ASN C C 176.36 . 1 214 60 60 ASN CA C 52.16 . 1 215 60 60 ASN N N 119.51 . 1 216 61 61 GLY H H 10.47 . 1 217 61 61 GLY C C 172.79 . 1 218 61 61 GLY CA C 45.27 . 1 219 61 61 GLY N N 113.87 . 1 220 62 62 THR H H 7.64 . 1 221 62 62 THR C C 172.89 . 1 222 62 62 THR CA C 59.09 . 1 223 62 62 THR N N 109.49 . 1 224 63 63 ILE H H 8.80 . 1 225 63 63 ILE C C 175.16 . 1 226 63 63 ILE CA C 59.92 . 1 227 63 63 ILE N N 124.24 . 1 228 64 64 ASP H H 8.98 . 1 229 64 64 ASP C C 179.05 . 1 230 64 64 ASP CA C 51.75 . 1 231 64 64 ASP N N 129.42 . 1 232 65 65 PHE H H 8.68 . 1 233 65 65 PHE CA C 61.86 . 1 234 65 65 PHE N N 119.46 . 1 235 67 67 GLU H H 8.02 . 1 236 67 67 GLU C C 174.49 . 1 237 67 67 GLU CA C 59.84 . 1 238 67 67 GLU N N 119.5 . 1 239 68 68 PHE H H 8.84 . 1 240 68 68 PHE C C 179.01 . 1 241 68 68 PHE CA C 59.41 . 1 242 68 68 PHE N N 124.11 . 1 243 69 69 LEU H H 8.58 . 1 244 69 69 LEU C C 178.24 . 1 245 69 69 LEU CA C 57.45 . 1 246 69 69 LEU N N 121.45 . 1 247 70 70 THR H H 7.82 . 1 248 70 70 THR CA C 57.09 . 1 249 70 70 THR N N 116.55 . 1 250 73 73 ALA H H 8.17 . 1 251 73 73 ALA N N 123.78 . 1 252 74 74 ARG H H 7.65 . 1 253 74 74 ARG N N 118.07 . 1 254 75 75 LYS H H 7.71 . 1 255 75 75 LYS N N 119.73 . 1 256 77 77 LYS H H 7.76 . 1 257 77 77 LYS C C 174.66 . 1 258 77 77 LYS CA C 59.12 . 1 259 77 77 LYS N N 120.55 . 1 260 78 78 ASP H H 8.38 . 1 261 78 78 ASP C C 175.44 . 1 262 78 78 ASP CA C 53.45 . 1 263 78 78 ASP N N 121.65 . 1 264 79 79 THR H H 7.85 . 1 265 79 79 THR C C 174.10 . 1 266 79 79 THR CA C 61.05 . 1 267 79 79 THR N N 115.68 . 1 268 80 80 ASP H H 8.39 . 1 269 80 80 ASP C C 175.34 . 1 270 80 80 ASP CA C 54.12 . 1 271 80 80 ASP N N 124.90 . 1 272 81 81 SER H H 8.56 . 1 273 81 81 SER C C 175.15 . 1 274 81 81 SER CA C 57.09 . 1 275 81 81 SER N N 118.88 . 1 276 82 82 GLU H H 8.84 . 1 277 82 82 GLU C C 179.05 . 1 278 82 82 GLU CA C 59.35 . 1 279 82 82 GLU N N 124.05 . 1 280 83 83 GLU H H 8.61 . 1 281 83 83 GLU CA C 59.63 . 1 282 83 83 GLU N N 120.11 . 1 283 85 85 ILE H H 8.16 . 1 284 85 85 ILE C C 178.41 . 1 285 85 85 ILE CA C 65.42 . 1 286 85 85 ILE N N 123.30 . 1 287 86 86 ARG H H 8.71 . 1 288 86 86 ARG C C 174.42 . 1 289 86 86 ARG CA C 59.41 . 1 290 86 86 ARG N N 122.12 . 1 291 87 87 GLU H H 8.11 . 1 292 87 87 GLU C C 177.24 . 1 293 87 87 GLU CA C 58.64 . 1 294 87 87 GLU N N 119.50 . 1 295 88 88 ALA H H 7.99 . 1 296 88 88 ALA C C 179.19 . 1 297 88 88 ALA CA C 54.88 . 1 298 88 88 ALA N N 122.12 . 1 299 89 89 PHE H H 8.77 . 1 300 89 89 PHE C C 176.11 . 1 301 89 89 PHE CA C 62.38 . 1 302 89 89 PHE N N 122.12 . 1 303 90 90 ARG H H 7.79 . 1 304 90 90 ARG C C 174.38 . 1 305 90 90 ARG CA C 58.29 . 1 306 90 90 ARG N N 116.20 . 1 307 91 91 VAL H H 7.42 . 1 308 91 91 VAL C C 176.78 . 1 309 91 91 VAL CA C 65.37 . 1 310 91 91 VAL N N 119.5 . 1 311 92 92 PHE H H 7.27 . 1 312 92 92 PHE C C 176.96 . 1 313 92 92 PHE CA C 60.33 . 1 314 92 92 PHE N N 116.5 . 1 315 93 93 ASP H H 7.92 . 1 316 93 93 ASP C C 176.86 . 1 317 93 93 ASP CA C 51.40 . 1 318 93 93 ASP N N 116.80 . 1 319 94 94 LYS H H 7.46 . 1 320 94 94 LYS C C 177.85 . 1 321 94 94 LYS CA C 58.87 . 1 322 94 94 LYS N N 126.10 . 1 323 95 95 ASP H H 8.31 . 1 324 95 95 ASP C C 177.28 . 1 325 95 95 ASP CA C 52.57 . 1 326 95 95 ASP N N 115.08 . 1 327 96 96 GLY H H 7.80 . 1 328 96 96 GLY C C 174.70 . 1 329 96 96 GLY CA C 46.61 . 1 330 96 96 GLY N N 110.56 . 1 331 97 97 ASN H H 8.36 . 1 332 97 97 ASN C C 175.37 . 1 333 97 97 ASN CA C 52.20 . 1 334 97 97 ASN N N 121.42 . 1 335 98 98 GLY H H 10.70 . 1 336 98 98 GLY C C 172.12 . 1 337 98 98 GLY CA C 44.35 . 1 338 98 98 GLY N N 113.71 . 1 339 99 99 TYR H H 7.60 . 1 340 99 99 TYR C C 174.24 . 1 341 99 99 TYR CA C 55.50 . 1 342 99 99 TYR N N 117.35 . 1 343 100 100 ILE H H 10.23 . 1 344 100 100 ILE C C 175.12 . 1 345 100 100 ILE CA C 60.84 . 1 346 100 100 ILE N N 128.00 . 1 347 101 101 SER H H 8.84 . 1 348 101 101 SER C C 175.09 . 1 349 101 101 SER CA C 55.62 . 1 350 101 101 SER N N 124.38 . 1 351 102 102 ALA H H 9.22 . 1 352 102 102 ALA C C 178.94 . 1 353 102 102 ALA CA C 55.62 . 1 354 102 102 ALA N N 123.95 . 1 355 103 103 ALA H H 8.24 . 1 356 103 103 ALA C C 180.71 . 1 357 103 103 ALA CA C 54.78 . 1 358 103 103 ALA N N 119.40 . 1 359 104 104 GLU H H 7.75 . 1 360 104 104 GLU CA C 59.12 . 1 361 104 104 GLU N N 120.72 . 1 362 105 105 LEU H H 8.41 . 1 363 105 105 LEU N N 121.85 . 1 364 106 106 ARG H H 8.49 . 1 365 106 106 ARG N N 118.27 . 1 366 109 109 MET H H 7.91 . 1 367 109 109 MET C C 177.25 . 1 368 109 109 MET CA C 52.97 . 1 369 109 109 MET N N 115.79 . 1 370 110 110 THR H H 8.11 . 1 371 110 110 THR C C 177.67 . 1 372 110 110 THR CA C 65.94 . 1 373 110 110 THR N N 116.5 . 1 374 111 111 ASN H H 7.90 . 1 375 111 111 ASN C C 179.72 . 1 376 111 111 ASN CA C 55.50 . 1 377 111 111 ASN N N 123.71 . 1 378 112 112 LEU H H 7.67 . 1 379 112 112 LEU C C 175.87 . 1 380 112 112 LEU CA C 54.47 . 1 381 112 112 LEU N N 119.33 . 1 382 113 113 GLY H H 7.66 . 1 383 113 113 GLY C C 178.98 . 1 384 113 113 GLY CA C 45.22 . 1 385 113 113 GLY N N 106.81 . 1 386 114 114 GLU H H 7.51 . 1 387 114 114 GLU C C 178.36 . 1 388 114 114 GLU CA C 54.67 . 1 389 114 114 GLU N N 119.51 . 1 390 115 115 LYS H H 8.67 . 1 391 115 115 LYS CA C 54.87 . 1 392 115 115 LYS N N 122.91 . 1 393 118 118 ASP H H 8.86 . 1 394 118 118 ASP CA C 57.79 . 1 395 118 118 ASP N N 122.05 . 1 396 120 120 GLU H H 8.10 . 1 397 120 120 GLU N N 119.53 . 1 398 122 122 ASP H H 8.19 . 1 399 122 122 ASP N N 120.73 . 1 400 123 123 GLU H H 7.96 . 1 401 123 123 GLU N N 121.12 . 1 402 124 124 MET H H 7.64 . 1 403 124 124 MET N N 120.33 . 1 404 125 125 ILE H H 7.80 . 1 405 125 125 ILE N N 120.59 . 1 406 126 126 ARG H H 8.26 . 1 407 126 126 ARG N N 119.53 . 1 408 127 127 GLU H H 8.11 . 1 409 127 127 GLU N N 116.47 . 1 410 128 128 ALA H H 7.15 . 1 411 128 128 ALA C C 177.32 . 1 412 128 128 ALA CA C 51.64 . 1 413 128 128 ALA N N 118.20 . 1 414 129 129 ASP H H 7.78 . 1 415 129 129 ASP C C 175.09 . 1 416 129 129 ASP CA C 53.70 . 1 417 129 129 ASP N N 118.40 . 1 418 130 130 ILE H H 8.22 . 1 419 130 130 ILE C C 175.69 . 1 420 130 130 ILE CA C 63.11 . 1 421 130 130 ILE N N 128.81 . 1 422 131 131 ASP H H 8.32 . 1 423 131 131 ASP C C 177.70 . 1 424 131 131 ASP CA C 53.49 . 1 425 131 131 ASP N N 117.54 . 1 426 132 132 GLY H H 7.57 . 1 427 132 132 GLY C C 174.77 . 1 428 132 132 GLY CA C 47.10 . 1 429 132 132 GLY N N 109.60 . 1 430 133 133 ASP H H 8.36 . 1 431 133 133 ASP C C 177.10 . 1 432 133 133 ASP CA C 53.36 . 1 433 133 133 ASP N N 121.95 . 1 434 134 134 GLY H H 10.29 . 1 435 134 134 GLY C C 176.22 . 1 436 134 134 GLY CA C 45.22 . 1 437 134 134 GLY N N 113.54 . 1 438 135 135 GLN H H 7.91 . 1 439 135 135 GLN C C 174.51 . 1 440 135 135 GLN CA C 53.00 . 1 441 135 135 GLN N N 116.34 . 1 442 136 136 VAL H H 9.10 . 1 443 136 136 VAL C C 175.26 . 1 444 136 136 VAL CA C 61.53 . 1 445 136 136 VAL N N 126.46 . 1 446 137 137 ASN H H 9.53 . 1 447 137 137 ASN C C 174.27 . 1 448 137 137 ASN CA C 50.44 . 1 449 137 137 ASN N N 130.30 . 1 450 138 138 TYR H H 8.35 . 1 451 138 138 TYR C C 174.38 . 1 452 138 138 TYR CA C 61.87 . 1 453 138 138 TYR N N 119.55 . 1 454 139 139 GLU H H 8.11 . 1 455 139 139 GLU N N 119.53 . 1 456 141 141 PHE H H 8.42 . 1 457 141 141 PHE C C 178.12 . 1 458 141 141 PHE CA C 61.21 . 1 459 141 141 PHE N N 124.64 . 1 460 142 142 VAL H H 8.54 . 1 461 142 142 VAL C C 173.71 . 1 462 142 142 VAL CA C 66.59 . 1 463 142 142 VAL N N 120.23 . 1 464 143 143 GLN H H 7.62 . 1 465 143 143 GLN N N 117.27 . 1 466 145 145 MET H H 7.39 . 1 467 145 145 MET C C 176.78 . 1 468 145 145 MET CA C 54.57 . 1 469 145 145 MET N N 114.50 . 1 470 146 146 THR H H 7.36 . 1 471 146 146 THR C C 173.53 . 1 472 146 146 THR CA C 61.17 . 1 473 146 146 THR N N 109.49 . 1 474 147 147 ALA H H 7.58 . 1 475 147 147 ALA C C 176.04 . 1 476 147 147 ALA CA C 52.36 . 1 477 147 147 ALA N N 127.56 . 1 478 148 148 LYS H H 7.83 . 1 479 148 148 LYS CA C 57.07 . 1 480 148 148 LYS N N 127.12 . 1 stop_ save_