data_6697 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N and heavy atoms Chemical Shift Assignments for Tm3+ monosubstituted calbindin D9k ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Balayssac Stephane . . 2 Jimenez Beatriz . . 3 Piccioli Mario . . stop_ _BMRB_accession_number 6697 _BMRB_flat_file_name bmr6697.str _Entry_type new _Submission_date 2005-06-21 _Accession_date 2005-06-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 88 "13C chemical shifts" 167 "15N chemical shifts" 58 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-05-03 update author "add concentration, etc." 2006-04-27 original author "original release" stop_ loop_ _Related_BMRB_accession_number _Relationship 6699 "La3+ substitute" stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_title ; Assignment Strategy for Fast Relaxing Signals: Complete Aminoacid Identification in Thulium Substituted Calbindin D(9K) ; _Citation_status published _Citation_type journal _PubMed_ID 16518694 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Balayssac Stephane . . 2 Jimenez Beatriz . . 3 Piccioli Mario . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 34 _Journal_issue 2 _Page_first 63 _Page_last 73 _Year 2006 loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "Calbindin D9k monomer" _Abbreviation_common "Calbindin D9k monomer" loop_ _Mol_system_component_name _Mol_label "Calbindin D9k" $Calbindin_D9k "CALCIUM (II) ION" $CA_2+ "THULIUM (III) ION" $TM_3+ stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic yes _System_thiol_state "not present" save_ ######################## # Monomeric polymers # ######################## save_Calbindin_D9k _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Calcium Protein" _Name_variant "Calbindin D9k" _Abbreviation_common "Calbindin D9k" _Mol_thiol_state "not present" ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; KSPEELKGIFEKYAAKEGDP NQLSKEELKLLLQTEFPSLL KGMSTLDELFEELDKNGDGE VSFEEFQVLVKKISQ ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 SER 3 PRO 4 GLU 5 GLU 6 LEU 7 LYS 8 GLY 9 ILE 10 PHE 11 GLU 12 LYS 13 TYR 14 ALA 15 ALA 16 LYS 17 GLU 18 GLY 19 ASP 20 PRO 21 ASN 22 GLN 23 LEU 24 SER 25 LYS 26 GLU 27 GLU 28 LEU 29 LYS 30 LEU 31 LEU 32 LEU 33 GLN 34 THR 35 GLU 36 PHE 37 PRO 38 SER 39 LEU 40 LEU 41 LYS 42 GLY 43 MET 44 SER 45 THR 46 LEU 47 ASP 48 GLU 49 LEU 50 PHE 51 GLU 52 GLU 53 LEU 54 ASP 55 LYS 56 ASN 57 GLY 58 ASP 59 GLY 60 GLU 61 VAL 62 SER 63 PHE 64 GLU 65 GLU 66 PHE 67 GLN 68 VAL 69 LEU 70 VAL 71 LYS 72 LYS 73 ILE 74 SER 75 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 15594 calbindin_in_presence_of_Yb3+ 100.00 75 100.00 100.00 2.80e-42 BMRB 16340 Calbindin_D9K 100.00 76 98.67 98.67 5.24e-41 BMRB 16758 calbindin 100.00 75 97.33 97.33 2.50e-32 BMRB 247 calbindin 100.00 76 98.67 98.67 5.97e-41 BMRB 325 calbindin 100.00 76 98.67 98.67 5.97e-41 BMRB 326 calbindin 100.00 76 98.67 98.67 5.24e-41 BMRB 327 calbindin 100.00 76 98.67 98.67 5.24e-41 BMRB 4581 calbindin_N56A 100.00 75 98.67 98.67 2.75e-41 BMRB 5207 F36G 100.00 76 98.67 98.67 5.24e-41 BMRB 6699 Calbindin_D9k 100.00 75 100.00 100.00 2.80e-42 BMRB 753 calbindin 100.00 76 98.67 98.67 5.24e-41 BMRB 939 calbindin 100.00 76 98.67 98.67 5.24e-41 BMRB 940 calbindin 100.00 76 98.67 98.67 5.24e-41 PDB 1B1G "Solvated Refinement Of Ca-Loaded Calbindin D9k" 100.00 75 98.67 98.67 6.70e-41 PDB 1BOC "The Solution Structures Of Mutant Calbindin D9k's, As Determined By Nmr, Show That The Calcium Binding Site Can Adopt Different" 100.00 76 97.33 97.33 2.60e-32 PDB 1CDN "Solution Structure Of (Cd2+)1-Calbindin D9k Reveals Details Of The Stepwise Structural Changes Along The Apo--> (Ca2+) Ii1--> (" 100.00 76 98.67 98.67 5.24e-41 PDB 1CLB "Determination Of The Solution Structure Of Apo Calbindin D9k By Nmr Spectroscopy" 100.00 76 98.67 98.67 5.24e-41 PDB 1D1O "Cooperativity In Ef-Hand Ca2+-Binding Proteins: Evidence Of Site-Site Communication From Binding-Induced Changes In Structure A" 100.00 75 98.67 98.67 2.75e-41 PDB 1HT9 "Domain Swapping Ef-Hands" 100.00 76 98.67 98.67 1.22e-41 PDB 1IG5 "Bovine Calbindin D9k Binding Mg2+" 100.00 75 98.67 98.67 6.55e-41 PDB 1IGV "Bovine Calbindin D9k Binding Mn2+" 100.00 75 98.67 98.67 6.55e-41 PDB 1KCY "Nmr Solution Structure Of Apo Calbindin D9k (F36g + P43m Mutant)" 100.00 75 98.67 98.67 5.45e-41 PDB 1KQV "Family Of Nmr Solution Structures Of Ca Ln Calbindin D9k" 100.00 79 100.00 100.00 1.72e-42 PDB 1KSM "Average Nmr Solution Structure Of Ca Ln Calbindin D9k" 100.00 79 100.00 100.00 1.72e-42 PDB 1N65 "Family Of Nmr Solution Structures Of Ca Ce Calbindin D9k In Denaturating Conditions" 100.00 75 100.00 100.00 2.80e-42 PDB 2BCA "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 100.00 76 98.67 98.67 5.24e-41 PDB 2BCB "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 100.00 75 98.67 98.67 6.70e-41 PDB 2MAZ "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Bovine Apo Calbindin" 100.00 75 100.00 100.00 2.80e-42 PDB 3ICB "The Refined Structure Of Vitamin D-Dependent Calcium- Binding Protein From Bovine Intestine. Molecular Details, Ion Binding, An" 100.00 75 98.67 98.67 6.55e-41 PDB 4ICB "Proline Cis-trans Isomers In Calbindin D9k Observed By X-ray Crystallography" 100.00 76 98.67 98.67 5.97e-41 GB AAA30420 "calcium-binding protein [Bos taurus]" 100.00 79 98.67 98.67 3.93e-41 GB AAA72542 "intestinal calcium binding protein (ICaBP), minor A form [synthetic construct]" 100.00 76 98.67 98.67 5.97e-41 GB AAI18481 "S100 calcium binding protein G [Bos taurus]" 100.00 79 98.67 98.67 3.93e-41 GB ADO85633 "calbindin D9K [Ovis aries]" 53.33 40 97.50 97.50 2.09e-08 PRF 0707237A:PDB=3ICB "protein,Ca binding" 100.00 75 98.67 98.67 6.55e-41 REF NP_776682 "protein S100-G [Bos taurus]" 100.00 79 98.67 98.67 3.93e-41 REF XP_004021986 "PREDICTED: protein S100-G [Ovis aries]" 100.00 79 98.67 98.67 3.93e-41 REF XP_005701114 "PREDICTED: protein S100-G [Capra hircus]" 100.00 79 98.67 98.67 3.93e-41 REF XP_005888771 "PREDICTED: protein S100-G [Bos mutus]" 100.00 79 98.67 98.67 3.93e-41 REF XP_005982038 "PREDICTED: protein S100-G [Pantholops hodgsonii]" 100.00 79 98.67 98.67 3.93e-41 SP P02633 "RecName: Full=Protein S100-G; AltName: Full=Calbindin-D9k; AltName: Full=S100 calcium-binding protein G; AltName: Full=Vitamin " 100.00 79 98.67 98.67 3.93e-41 TPG DAA12577 "TPA: protein S100-G [Bos taurus]" 100.00 79 98.67 98.67 3.93e-41 stop_ save_ ############# # Ligands # ############# save_CA_2+ _Saveframe_category ligand _Mol_type non-polymer _Name_common 'CALCIUM (II) ION' _Abbreviation_common Ca _Name_IUPAC . _BMRB_code CA_2+ _PDB_code CA _Mol_empirical_formula CA1 _Mol_charge 2+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA ? 2+ ? ? stop_ save_ save_TM_3+ _Saveframe_category ligand _Mol_type non-polymer _Name_common "THULIUM (III) ION" _Abbreviation_common TM _Name_IUPAC . _BMRB_code TM_3+ _PDB_code TM _Mol_empirical_formula TM1 _Mol_charge 3+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons TM TM TM ? 3+ ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Calbindin_D9k Cow 9913 Eukaryota Metazoa Bos taurus 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 $Calbindin_D9k "recombinant technology" "Eschericia Coli" ? ? ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calbindin_D9k 1 mM ? $CA_2+ 1 mM ? $TM_3+ 1 mM ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 save_ save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 save_ save_400MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 400 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H,15N-HSQC 1H,13C-HSQC HNCO HNCA CBCACONH 1D 13C 13C-13C COSY CACO CBCACO CON 1D 15N ; save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.01 pH temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference 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 H2O H 1 protons ppm 0.00 direct external ? ? ? DSS C 13 "methyl protons" ppm 0.00 direct internal ? ? ? "liquid NH3" N 15 nitrogen ppm 0.00 direct external ? ? ? 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name "Calbindin D9k" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 LYS H H 8.912 0.05 1 2 1 LYS HA H 4.643 0.05 1 3 1 LYS C C 172.788 0.2 1 4 1 LYS CA C 53.206 0.2 1 5 1 LYS CB C 31.696 0.2 1 6 1 LYS N N 123.833 0.2 1 7 2 SER H H 9.009 0.05 1 8 2 SER HA H 4.523 0.05 1 9 2 SER C C 170.255 0.2 1 10 2 SER CA C 53.769 0.2 1 11 2 SER N N 119.209 0.2 1 12 3 PRO HA H 4.132 0.05 1 13 3 PRO C C 176.102 0.2 1 14 3 PRO CA C 62.810 0.2 1 15 3 PRO N N 135.258 0.2 1 16 4 GLU H H 8.273 0.05 1 17 4 GLU HA H 3.305 0.05 1 18 4 GLU C C 176.616 0.2 1 19 4 GLU CA C 56.799 0.2 1 20 4 GLU CB C 25.370 0.2 1 21 4 GLU CG C 33.268 0.2 1 22 4 GLU CD C 180.580 0.2 1 23 4 GLU N N 117.308 0.2 1 24 5 GLU H H 7.838 0.05 1 25 5 GLU HA H 3.733 0.05 1 26 5 GLU C C 172.922 0.2 1 27 5 GLU CA C 56.058 0.2 1 28 5 GLU CB C 27.293 0.2 1 29 5 GLU CG C 34.564 0.2 1 30 5 GLU CD C 180.682 0.2 1 31 5 GLU N N 121.357 0.2 1 32 6 LEU H H 8.327 0.05 1 33 6 LEU HA H 3.691 0.05 1 34 6 LEU C C 175.383 0.2 1 35 6 LEU CA C 54.935 0.2 1 36 6 LEU CB C 38.898 0.2 1 37 6 LEU N N 119.881 0.2 1 38 7 LYS H H 7.636 0.05 1 39 7 LYS HA H 2.770 0.05 1 40 7 LYS C C 174.553 0.2 1 41 7 LYS CA C 56.482 0.2 1 42 7 LYS CB C 28.033 0.2 1 43 7 LYS N N 120.210 0.2 1 44 8 GLY H H 7.577 0.05 1 45 8 GLY HA2 H 3.750 0.05 2 46 8 GLY HA3 H 3.590 0.05 2 47 8 GLY C C 174.239 0.2 1 48 8 GLY CA C 44.096 0.2 1 49 8 GLY N N 104.902 0.2 1 50 9 ILE H H 8.064 0.05 1 51 9 ILE HA H 3.677 0.05 1 52 9 ILE C C 174.402 0.2 1 53 9 ILE CA C 63.155 0.2 1 54 9 ILE CB C 37.008 0.2 1 55 9 ILE N N 122.424 0.2 1 56 10 PHE H H 8.453 0.05 1 57 10 PHE HA H 3.746 0.05 1 58 10 PHE C C 173.441 0.2 1 59 10 PHE CA C 60.435 0.2 1 60 10 PHE CB C 35.849 0.2 1 61 10 PHE N N 120.103 0.2 1 62 11 GLU H H 7.934 0.05 1 63 11 GLU HA H 3.305 0.05 1 64 11 GLU C C 175.579 0.2 1 65 11 GLU CA C 56.530 0.2 1 66 11 GLU CB C 25.530 0.2 1 67 11 GLU N N 114.581 0.2 1 68 12 LYS H H 7.644 0.05 1 69 12 LYS HA H 3.681 0.05 1 70 12 LYS C C 175.432 0.2 1 71 12 LYS CA C 55.931 0.2 1 72 12 LYS CB C 29.380 0.2 1 73 12 LYS N N 118.605 0.2 1 74 13 TYR H H 7.700 0.05 1 75 13 TYR HA H 4.457 0.05 1 76 13 TYR C C 174.316 0.2 1 77 13 TYR CA C 59.026 0.2 1 78 13 TYR CB C 37.061 0.2 1 79 13 TYR N N 114.951 0.2 1 80 14 ALA H H 8.710 0.05 1 81 14 ALA HA H 4.179 0.05 1 82 14 ALA C C 176.119 0.2 1 83 14 ALA CA C 51.560 0.2 1 84 14 ALA CB C 14.376 0.2 1 85 14 ALA N N 119.593 0.2 1 86 15 ALA H H 6.795 0.05 1 87 15 ALA HA H 3.793 0.05 1 88 15 ALA C C 174.743 0.2 1 89 15 ALA CA C 49.628 0.2 1 90 15 ALA CB C 15.766 0.2 1 91 15 ALA N N 116.942 0.2 1 92 16 LYS H H 7.289 0.05 1 93 16 LYS HA H 3.792 0.05 1 94 16 LYS C C 174.440 0.2 1 95 16 LYS CA C 57.438 0.2 1 96 16 LYS CB C 29.707 0.2 1 97 16 LYS N N 119.703 0.2 1 98 17 GLU H H 9.568 0.05 1 99 17 GLU C C 172.917 0.2 1 100 17 GLU CA C 51.313 0.2 1 101 17 GLU N N 115.906 0.2 1 102 18 GLY HA2 H 3.348 0.05 2 103 18 GLY HA3 H 2.800 0.05 2 104 18 GLY C C 170.011 0.2 1 105 18 GLY CA C 42.433 0.2 1 106 18 GLY N N 113.100 0.2 1 107 19 ASP C C 173.594 0.2 1 108 19 ASP CA C 48.319 0.2 1 109 20 PRO C C 170.961 0.2 1 110 20 PRO CA C 60.730 0.2 1 111 20 PRO N N 134.500 0.2 1 112 21 ASN C C 167.635 0.2 1 113 21 ASN CA C 47.673 0.2 1 114 21 ASN CB C 34.485 0.2 1 115 21 ASN CG C 173.269 0.2 1 116 22 GLN C C 171.575 0.2 1 117 22 GLN CA C 49.504 0.2 1 118 22 GLN CG C 27.311 0.2 1 119 22 GLN CD C 173.475 0.2 1 120 22 GLN N N 112.603 0.2 1 121 23 LEU HA H 7.316 0.05 1 122 23 LEU C C 178.225 0.2 1 123 23 LEU CA C 54.366 0.2 1 124 23 LEU CB C 46.583 0.2 1 125 23 LEU N N 128.823 0.2 1 126 24 SER C C 176.028 0.2 1 127 24 SER CA C 56.223 0.2 1 128 25 LYS C C 177.842 0.2 1 129 25 LYS CA C 61.752 0.2 1 130 26 GLU C C 178.442 0.2 1 131 27 GLU C C 178.811 0.2 1 132 27 GLU CA C 58.660 0.2 1 133 27 GLU N N 121.485 0.2 1 134 28 LEU H H 12.923 0.05 1 135 28 LEU HA H 8.730 0.05 1 136 28 LEU C C 178.851 0.2 1 137 28 LEU CA C 59.500 0.2 1 138 28 LEU N N 123.019 0.2 1 139 29 LYS H H 11.688 0.05 1 140 29 LYS HA H 6.538 0.05 1 141 29 LYS C C 177.120 0.2 1 142 29 LYS CA C 60.755 0.2 1 143 29 LYS CB C 31.082 0.2 1 144 29 LYS N N 123.197 0.2 1 145 30 LEU H H 9.507 0.05 1 146 30 LEU HA H 5.302 0.05 1 147 30 LEU C C 177.770 0.2 1 148 30 LEU CA C 56.526 0.2 1 149 30 LEU CB C 40.080 0.2 1 150 30 LEU N N 119.903 0.2 1 151 31 LEU H H 10.296 0.05 1 152 31 LEU HA H 3.752 0.05 1 153 31 LEU C C 178.748 0.2 1 154 31 LEU CA C 58.082 0.2 1 155 31 LEU CB C 42.007 0.2 1 156 31 LEU N N 125.820 0.2 1 157 32 LEU H H 11.551 0.05 1 158 32 LEU HA H 6.064 0.05 1 159 32 LEU C C 177.659 0.2 1 160 32 LEU CA C 58.426 0.2 1 161 32 LEU CB C 41.583 0.2 1 162 32 LEU N N 122.072 0.2 1 163 33 GLN H H 10.470 0.05 1 164 33 GLN HA H 5.173 0.05 1 165 33 GLN C C 175.846 0.2 1 166 33 GLN CA C 57.692 0.2 1 167 33 GLN CB C 27.436 0.2 1 168 33 GLN CG C 32.893 0.2 1 169 33 GLN N N 116.149 0.2 1 170 34 THR H H 8.893 0.05 1 171 34 THR HA H 4.876 0.05 1 172 34 THR C C 173.711 0.2 1 173 34 THR CA C 64.062 0.2 1 174 34 THR CB C 67.908 0.2 1 175 34 THR N N 111.906 0.2 1 176 35 GLU H H 9.698 0.05 1 177 35 GLU HA H 4.819 0.05 1 178 35 GLU C C 175.185 0.2 1 179 35 GLU CA C 54.717 0.2 1 180 35 GLU CB C 28.869 0.2 1 181 35 GLU CG C 32.027 0.2 1 182 35 GLU CD C 178.876 0.2 1 183 35 GLU N N 117.064 0.2 1 184 36 PHE H H 9.336 0.05 1 185 36 PHE HA H 6.359 0.05 1 186 36 PHE C C 172.175 0.2 1 187 36 PHE CA C 53.821 0.2 1 188 36 PHE CB C 40.100 0.2 1 189 36 PHE N N 115.943 0.2 1 190 37 PRO HA H 5.502 0.05 1 191 37 PRO C C 178.104 0.2 1 192 37 PRO CA C 64.127 0.2 1 193 37 PRO CB C 29.416 0.2 1 194 37 PRO N N 136.810 0.2 1 195 38 SER H H 9.588 0.05 1 196 38 SER HA H 5.271 0.05 1 197 38 SER C C 174.958 0.2 1 198 38 SER CA C 59.009 0.2 1 199 38 SER CB C 60.836 0.2 1 200 38 SER N N 114.810 0.2 1 201 39 LEU H H 9.572 0.05 1 202 39 LEU HA H 5.871 0.05 1 203 39 LEU C C 177.318 0.2 1 204 39 LEU CA C 55.984 0.2 1 205 39 LEU CB C 41.259 0.2 1 206 39 LEU N N 123.736 0.2 1 207 40 LEU H H 9.490 0.05 1 208 40 LEU HA H 6.502 0.05 1 209 40 LEU C C 176.031 0.2 1 210 40 LEU CA C 54.151 0.2 1 211 40 LEU CB C 40.601 0.2 1 212 40 LEU N N 118.769 0.2 1 213 41 LYS H H 9.047 0.05 1 214 41 LYS HA H 5.477 0.05 1 215 41 LYS C C 175.350 0.2 1 216 41 LYS CA C 55.066 0.2 1 217 41 LYS CB C 30.673 0.2 1 218 41 LYS N N 121.557 0.2 1 219 42 GLY H H 9.465 0.05 1 220 42 GLY HA2 H 5.140 0.05 2 221 42 GLY HA3 H 5.049 0.05 2 222 42 GLY C C 173.080 0.2 1 223 42 GLY CA C 43.815 0.2 1 224 42 GLY N N 110.172 0.2 1 225 43 MET H H 9.702 0.05 1 226 43 MET HA H 5.905 0.05 1 227 43 MET C C 175.560 0.2 1 228 43 MET CA C 54.683 0.2 1 229 43 MET N N 121.033 0.2 1 230 44 SER H H 10.150 0.05 1 231 44 SER N N 117.586 0.2 1 232 45 THR H H 9.522 0.05 1 233 45 THR N N 115.318 0.2 1 234 46 LEU N N 125.046 0.2 1 235 48 GLU HA H 8.756 0.05 1 236 48 GLU C C 181.141 0.2 1 237 48 GLU CA C 59.621 0.2 1 238 49 LEU H H 11.670 0.05 1 239 49 LEU C C 187.700 0.2 1 240 49 LEU CA C 64.330 0.2 1 241 49 LEU N N 126.822 0.2 1 242 50 PHE C C 187.614 0.2 1 243 50 PHE N N 127.518 0.2 1 244 51 GLU C C 183.061 0.2 1 245 51 GLU CA C 62.250 0.2 1 246 51 GLU N N 124.556 0.2 1 247 52 GLU C C 190.582 0.2 1 248 52 GLU CA C 54.000 0.2 1 249 53 LEU C C 228.493 0.2 1 250 53 LEU N N 131.976 0.2 1 251 54 ASP C C 219.003 0.2 1 252 54 ASP N N 198.510 0.2 1 253 55 LYS N N 182.600 0.2 1 254 61 VAL N N 153.202 0.2 1 255 62 SER C C 161.084 0.2 1 256 63 PHE C C 167.129 0.2 1 257 64 GLU C C 163.008 0.2 1 258 64 GLU N N 105.967 0.2 1 259 65 GLU C C 176.040 0.2 1 260 65 GLU CA C 43.400 0.2 1 261 65 GLU N N 99.881 0.2 1 262 66 PHE C C 176.526 0.2 1 263 66 PHE CA C 61.699 0.2 1 264 67 GLN HA H 2.616 0.05 1 265 67 GLN C C 174.337 0.2 1 266 67 GLN CA C 54.192 0.2 1 267 67 GLN CB C 23.590 0.2 1 268 68 VAL HA H 4.697 0.05 1 269 68 VAL C C 177.395 0.2 1 270 68 VAL CA C 64.264 0.2 1 271 68 VAL CB C 31.197 0.2 1 272 68 VAL N N 117.560 0.2 1 273 69 LEU H H 10.697 0.05 1 274 69 LEU HA H 7.248 0.05 1 275 69 LEU C C 177.302 0.2 1 276 69 LEU CA C 57.282 0.2 1 277 69 LEU CB C 43.000 0.2 1 278 69 LEU N N 123.464 0.2 1 279 70 VAL H H 8.453 0.05 1 280 70 VAL HA H 4.231 0.05 1 281 70 VAL C C 175.689 0.2 1 282 70 VAL CA C 64.299 0.2 1 283 70 VAL CB C 28.283 0.2 1 284 70 VAL N N 117.220 0.2 1 285 71 LYS H H 8.289 0.05 1 286 71 LYS HA H 3.970 0.05 1 287 71 LYS C C 175.591 0.2 1 288 71 LYS CA C 55.600 0.2 1 289 71 LYS CB C 29.594 0.2 1 290 71 LYS N N 118.772 0.2 1 291 72 LYS H H 8.996 0.05 1 292 72 LYS HA H 5.240 0.05 1 293 72 LYS C C 176.328 0.2 1 294 72 LYS CA C 56.088 0.2 1 295 72 LYS CB C 32.138 0.2 1 296 72 LYS N N 118.210 0.2 1 297 73 ILE H H 8.699 0.05 1 298 73 ILE HA H 5.161 0.05 1 299 73 ILE C C 174.219 0.2 1 300 73 ILE CA C 60.521 0.2 1 301 73 ILE CB C 36.687 0.2 1 302 73 ILE N N 115.512 0.2 1 303 74 SER H H 8.611 0.05 1 304 74 SER HA H 4.364 0.05 1 305 74 SER C C 170.984 0.2 1 306 74 SER CA C 56.431 0.2 1 307 74 SER CB C 61.194 0.2 1 308 74 SER N N 118.018 0.2 1 309 75 GLN H H 8.210 0.05 1 310 75 GLN HA H 4.327 0.05 1 311 75 GLN C C 177.739 0.2 1 312 75 GLN CA C 54.972 0.2 1 313 75 GLN N N 126.617 0.2 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_title ; Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k ; _Citation_type journal _PubMed_ID 11727989 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini I. . . 2 Donaire A. . . 3 Jimenez B. . . 4 Luchinat C. . . 5 Parigi G. . . 6 Piccioli M. . . 7 Poggi L. . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 21 _Journal_issue 2 _Page_first 85 _Page_last 98 _Year 2001 save_