data_247 #Corrected using PDB structure: 4ICB_ # #N.B. (Observed* = Observed shift + Offset correction) # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.01 N/A N/A N/A N/A -0.08 # #bmr247.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr247.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 N/A N/A N/A N/A +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.920 N/A N/A N/A N/A 0.782 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.130 N/A N/A N/A N/A 0.281 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR Sequential Resonance Assignments, Secondary Structure, and Global Fold in Solution of the Major (trans-Pro43) Form of Bovine Calbindin D9k ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kordel Johan . . 2 Forsen Sture . . 3 Chazin Walter J. . stop_ _BMRB_accession_number 247 _BMRB_flat_file_name bmr247.str _Entry_type revision _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1 _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' 488 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1997-04-11 revision BMRB 'Corrections made to assigned chemical shift entries' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Kordel, Johan, Forsen, Sture, Chazin, Walter J., "1H NMR Sequential Resonance Assignments, Secondary Structure, and Global Fold in Solution of the Major (trans-Pro43) Form of Bovine Calbindin D9k," Biochemistry 28, 7065-7074 (1989). ; _Citation_title ; 1H NMR Sequential Resonance Assignments, Secondary Structure, and Global Fold in Solution of the Major (trans-Pro43) Form of Bovine Calbindin D9k ; _Citation_status published _Citation_type journal _MEDLINE_UI_code ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kordel Johan . . 2 Forsen Sture . . 3 Chazin Walter J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 28 _Page_first 7065 _Page_last 7074 _Year 1989 save_ ################################## # Molecular system description # ################################## save_system_calbindin _Saveframe_category molecular_system _Mol_system_name calbindin _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label calbindin $calbindin stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 4ICB "Calbindin D9k (Minor A Form)" . PDB 6ICB "Bovine Calbindin D9k Binding Mn2+" . PDB 3ICB "Calcium-Binding Protein (Vitamin D-Dependent, Minor A Form) (ICABP)" . PDB 5ICB "Bovine Calbindin D9k Binding Mg2+" . PDB 1CDN "Ef-Hand Mol_id: 1; Molecule: Calbindin D9k; Chain: Null; Synonym: Intestinal Calcium-Binding Protein, Icbp, Icabp, Cabp9k, S100d; Engineered: Yes; Mutation: Ins(Met 1), P43g; Other_details: Bovine Minor A Form, Cadmium-Half-Saturated, Cadmium Ion Is Bo>" . PDB 1CLB "Ef-Hand Calbindin D9k (Bovine Minor A Form, Apo) (Intestinal Calcium Binding Protein, Icbp, Icabp, Cabp9k, S100d) Mutant With N-Terminal Met, Pro 43 Replaced By Gly (Ins(Met 0),P43g) (Nmr, 33 Structures)" . PDB 2BCA "Calbindin D9k (Calcium-Loaded Form) Mutant With Pro 43 Replaced By Gly (P43g) (Nmr, Minimized Average Structure)" . PDB 2BCB "Calbindin D9k (Calcium-Loaded Form) Mutant With Pro 43 Replaced By Gly (P43g) (Nmr, 32 Structures)" . PDB 1B1G "A Chain A, Solvated Refinement Of Ca-Loaded Calbindin D9k" . stop_ save_ ######################## # Monomeric polymers # ######################## save_calbindin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calbindin _Name_variant 'D9k, with leading methionine' _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MKSPEELKGIFEKYAAKEGD PNQLSKEELKLLLQTEFPSL LKGPSTLDELFEELDKNGDG EVSFEEFQVLVKKISQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 SER 4 PRO 5 GLU 6 GLU 7 LEU 8 LYS 9 GLY 10 ILE 11 PHE 12 GLU 13 LYS 14 TYR 15 ALA 16 ALA 17 LYS 18 GLU 19 GLY 20 ASP 21 PRO 22 ASN 23 GLN 24 LEU 25 SER 26 LYS 27 GLU 28 GLU 29 LEU 30 LYS 31 LEU 32 LEU 33 LEU 34 GLN 35 THR 36 GLU 37 PHE 38 PRO 39 SER 40 LEU 41 LEU 42 LYS 43 GLY 44 PRO 45 SER 46 THR 47 LEU 48 ASP 49 GLU 50 LEU 51 PHE 52 GLU 53 GLU 54 LEU 55 ASP 56 LYS 57 ASN 58 GLY 59 ASP 60 GLY 61 GLU 62 VAL 63 SER 64 PHE 65 GLU 66 GLU 67 PHE 68 GLN 69 VAL 70 LEU 71 VAL 72 LYS 73 LYS 74 ILE 75 SER 76 GLN stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 PDB 1IG5 "A Chain A, Bovine Calbindin D9k Binding Mg2+" 101.33 75 100 100 10e-36 PDB 1IGV "A Chain A, Bovine Calbindin D9k Binding Mn2+" 101.33 75 100 100 10e-36 PDB 3ICB "Calcium-Binding Protein (VitaminD-Dependent, Minor A Form) (ICABP)" 101.33 75 100 100 10e-36 PDB 1B1G "A Chain A, Solvated Refinement Of Ca-LoadedCalbindin D9k" 101.33 75 99 99 6e-34 PDB 1N65 "A Chain A, Family Of Nmr Solution StructuresOf Ca Ce Calbindin D9k In Denaturating Conditions" 101.33 75 99 99 10e-35 PDB 4ICB "Calbindin D9k (Minor A Form)" 100.00 76 100 100 4e-36 PDB 1CDN "Ef-Hand Mol_id: 1; Molecule: Calbindin D9k;Chain: Null; Synonym: Intestinal Calcium-BindingProtein, Icbp, Icabp, Cabp9k, S100d; Engineered: Yes;Mutation: Ins(Met 1), P43g; Other_details: Bovine MinorA Form, Cadmium-Half-Saturated, Cadmium Ion Is Bound InC-Terminal Site" 100.00 76 99 99 4e-35 PDB 1CLB "Ef-Hand Calbindin D9k (Bovine Minor A Form,Apo) (Intestinal Calcium Binding Protein, Icbp, Icabp,Cabp9k, S100d) Mutant With N-Terminal Met, Pro 43Replaced By Gly (Ins(Met 0),P43g) (Nmr, 33 Structures)" 100.00 76 99 99 4e-35 PDB 2BCA "Calbindin D9k (Calcium-Loaded Form) MutantWith Pro 43 Replaced By Gly (P43g) (Nmr, MinimizedAverage Structure)" 100.00 76 99 99 4e-35 PDB 2BCB "Calbindin D9k (Calcium-Loaded Form) MutantWith Pro 43 Replaced By Gly (P43g) (Nmr, 32 Structures)" 100.00 76 99 99 4e-35 PDB 1KQV "A Chain A, Family Of Nmr Solution StructuresOf Ca Ln Calbindin D9k" 96.20 79 99 99 10e-35 PDB 1KSM "A Chain A, Average Nmr Solution Structure OfCa Ln Calbindin D9k" 96.20 79 99 99 10e-35 GenBank AAA72542.1 "intestinal calcium binding protein(ICaBP), minor A form" 100.00 76 100 100 4e-36 GenBank AAA30420.1 "calcium-binding protein" 96.20 79 100 100 10e-36 PIR KLBOI "calcium-binding protein, intestinal[validated] - bovine" 96.20 79 100 100 10e-36 PRF 0707237A:PDB=3ICB "protein,Ca binding" 101.33 75 100 100 10e-36 REF NP_776682.1 "calbindin 3, (vitamin D-dependentcalcium binding protein) [Bos taurus]" 96.20 79 100 100 10e-36 SWISS-PROT P02633 "S10D_BOVIN Vitamin D-dependentcalcium-binding protein, intestinal (CABP) (CalbindinD9K)" 96.20 79 100 100 10e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Genus _Species _Strain $calbindin cow ? Bos primigenius generic stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Genus _Species _Strain $calbindin 'not available' Escherichia coli 'SG20043 (lon-)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ? ? ? ? stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . na temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Chem_shift_units _Chem_shift_value DSS H ppm 0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'calbindin' 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 MET HA H 4.27 . 1 2 1 MET HB2 H 1.96 . 2 3 1 MET HB3 H 1.88 . 2 4 1 MET HG2 H 2.19 . 1 5 1 MET HG3 H 2.19 . 1 6 1 MET HE H 2.13 . 1 7 2 LYS H H 8.76 . 1 8 2 LYS HA H 4.60 . 1 9 2 LYS HB2 H 1.78 . 2 10 2 LYS HB3 H 1.84 . 2 11 2 LYS HG2 H 1.62 . 1 12 2 LYS HG3 H 1.62 . 1 13 2 LYS HD2 H 1.73 . 1 14 2 LYS HD3 H 1.73 . 1 15 2 LYS HE2 H 2.95 . 1 16 2 LYS HE3 H 2.95 . 1 17 3 SER H H 9.07 . 1 18 3 SER HA H 4.78 . 1 19 3 SER HB2 H 4.06 . 2 20 3 SER HB3 H 4.44 . 2 21 4 PRO HA H 4.32 . 1 22 4 PRO HB2 H 2.00 . 2 23 4 PRO HB3 H 2.46 . 2 24 4 PRO HG2 H 2.05 . 2 25 4 PRO HG3 H 2.24 . 2 26 4 PRO HD2 H 3.98 . 1 27 4 PRO HD3 H 3.98 . 1 28 5 GLU H H 8.80 . 1 29 5 GLU HA H 4.08 . 1 30 5 GLU HB2 H 1.99 . 2 31 5 GLU HB3 H 2.10 . 2 32 5 GLU HG2 H 2.30 . 2 33 5 GLU HG3 H 2.43 . 2 34 6 GLU H H 8.08 . 1 35 6 GLU HA H 4.16 . 1 36 6 GLU HB2 H 2.45 . 2 37 6 GLU HB3 H 2.08 . 2 38 6 GLU HG2 H 2.31 . 2 39 6 GLU HG3 H 2.44 . 2 40 7 LEU H H 8.56 . 1 41 7 LEU HA H 4.26 . 1 42 7 LEU HB2 H 1.71 . 2 43 7 LEU HB3 H 2.20 . 2 44 7 LEU HG H 1.88 . 1 45 7 LEU HD1 H 0.95 . 2 46 7 LEU HD2 H 1.03 . 2 47 8 LYS H H 8.26 . 1 48 8 LYS HA H 3.98 . 1 49 8 LYS HB2 H 1.81 . 2 50 8 LYS HB3 H 1.92 . 2 51 8 LYS HG2 H 0.81 . 2 52 8 LYS HG3 H 1.16 . 2 53 8 LYS HD2 H 1.35 . 1 54 8 LYS HD3 H 1.35 . 1 55 8 LYS HE2 H 2.59 . 2 56 8 LYS HE3 H 2.67 . 2 57 9 GLY H H 7.89 . 1 58 9 GLY HA2 H 3.92 . 1 59 9 GLY HA3 H 3.92 . 1 60 10 ILE H H 8.06 . 1 61 10 ILE HA H 3.87 . 1 62 10 ILE HB H 2.21 . 1 63 10 ILE HG12 H 1.20 . 2 64 10 ILE HG13 H 1.98 . 2 65 10 ILE HG2 H 1.18 . 1 66 10 ILE HD1 H 0.98 . 1 67 11 PHE H H 8.46 . 1 68 11 PHE HA H 3.52 . 1 69 11 PHE HB2 H 2.68 . 2 70 11 PHE HB3 H 3.31 . 2 71 11 PHE HD1 H 6.32 . 1 72 11 PHE HD2 H 6.32 . 1 73 11 PHE HE1 H 7.11 . 1 74 11 PHE HE2 H 7.11 . 1 75 11 PHE HZ H 7.62 . 1 76 12 GLU H H 8.53 . 1 77 12 GLU HA H 3.75 . 1 78 12 GLU HB2 H 1.96 . 2 79 12 GLU HB3 H 2.10 . 2 80 12 GLU HG2 H 2.32 . 2 81 12 GLU HG3 H 2.68 . 2 82 13 LYS H H 7.72 . 1 83 13 LYS HA H 3.84 . 1 84 13 LYS HB2 H 1.74 . 2 85 13 LYS HB3 H 1.79 . 2 86 13 LYS HG2 H 0.54 . 2 87 13 LYS HG3 H 1.08 . 2 88 13 LYS HD2 H 1.43 . 2 89 13 LYS HD3 H 1.50 . 2 90 13 LYS HE2 H 2.71 . 1 91 13 LYS HE3 H 2.71 . 1 92 14 TYR H H 7.28 . 1 93 14 TYR HA H 4.00 . 1 94 14 TYR HB2 H 2.44 . 2 95 14 TYR HB3 H 2.81 . 2 96 14 TYR HD1 H 7.43 . 1 97 14 TYR HD2 H 4.43 . 1 98 14 TYR HE1 H 6.74 . 1 99 14 TYR HE2 H 6.74 . 1 100 15 ALA H H 8.33 . 1 101 15 ALA HA H 3.80 . 1 102 15 ALA HB H 0.43 . 1 103 16 ALA H H 6.88 . 1 104 16 ALA HA H 4.30 . 1 105 16 ALA HB H 1.43 . 1 106 17 LYS H H 7.15 . 1 107 17 LYS HA H 3.85 . 1 108 17 LYS HB2 H 1.98 . 2 109 17 LYS HB3 H 2.15 . 2 110 17 LYS HG2 H 1.48 . 2 111 17 LYS HG3 H 1.56 . 2 112 17 LYS HD2 H 1.64 . 2 113 17 LYS HD3 H 1.71 . 2 114 17 LYS HE2 H 2.73 . 2 115 17 LYS HE3 H 2.94 . 2 116 18 GLU H H 9.70 . 1 117 18 GLU HA H 4.72 . 1 118 18 GLU HB2 H 1.90 . 2 119 18 GLU HB3 H 2.00 . 2 120 18 GLU HG2 H 1.94 . 2 121 18 GLU HG3 H 2.22 . 2 122 19 GLY H H 9.00 . 1 123 20 ASP H H 8.29 . 1 124 20 ASP HA H 4.69 . 1 125 20 ASP HB2 H 2.64 . 2 126 20 ASP HB3 H 2.87 . 2 127 21 PRO HA H 4.80 . 1 128 21 PRO HB2 H 2.01 . 2 129 21 PRO HB3 H 2.22 . 2 130 21 PRO HG2 H 1.87 . 2 131 21 PRO HG3 H 2.06 . 2 132 21 PRO HD2 H 4.00 . 1 133 21 PRO HD3 H 4.00 . 1 134 22 ASN H H 9.00 . 1 135 22 ASN HA H 4.95 . 1 136 22 ASN HB2 H 2.70 . 2 137 22 ASN HB3 H 3.01 . 2 138 22 ASN HD21 H 6.96 . 2 139 22 ASN HD22 H 7.94 . 2 140 23 GLN H H 7.23 . 1 141 23 GLN HA H 5.12 . 1 142 23 GLN HB2 H 1.83 . 2 143 23 GLN HB3 H 2.12 . 2 144 23 GLN HG2 H 2.02 . 2 145 23 GLN HG3 H 2.26 . 2 146 23 GLN HE21 H 6.58 . 2 147 23 GLN HE22 H 7.48 . 2 148 24 LEU H H 9.54 . 1 149 24 LEU HA H 5.48 . 1 150 24 LEU HB2 H 1.60 . 2 151 24 LEU HB3 H 2.03 . 2 152 24 LEU HG H 1.30 . 1 153 24 LEU HD1 H 0.38 . 2 154 24 LEU HD2 H 0.71 . 2 155 25 SER H H 10.08 . 1 156 25 SER HA H 4.83 . 1 157 25 SER HB2 H 4.17 . 2 158 25 SER HB3 H 4.35 . 2 159 26 LYS H H 8.76 . 1 160 26 LYS HA H 3.46 . 1 161 26 LYS HB2 H 0.40 . 2 162 26 LYS HB3 H 1.31 . 2 163 26 LYS HG2 H 0.64 . 2 164 26 LYS HG3 H 1.09 . 2 165 26 LYS HD2 H 1.37 . 2 166 26 LYS HD3 H 1.38 . 2 167 26 LYS HE2 H 2.53 . 2 168 26 LYS HE3 H 2.58 . 2 169 27 GLU H H 8.02 . 1 170 27 GLU HA H 3.96 . 1 171 27 GLU HB2 H 1.89 . 2 172 27 GLU HB3 H 1.97 . 2 173 27 GLU HG2 H 2.22 . 2 174 27 GLU HG3 H 2.32 . 2 175 28 GLU H H 7.75 . 1 176 28 GLU HA H 3.97 . 1 177 28 GLU HB2 H 1.88 . 2 178 28 GLU HB3 H 2.36 . 2 179 28 GLU HG2 H 2.27 . 2 180 28 GLU HG3 H 2.45 . 2 181 29 LEU H H 8.78 . 1 182 29 LEU HA H 4.07 . 1 183 29 LEU HB2 H 1.56 . 2 184 29 LEU HB3 H 2.33 . 2 185 29 LEU HG H 1.72 . 1 186 29 LEU HD1 H 1.06 . 2 187 29 LEU HD2 H 1.12 . 2 188 30 LYS H H 8.43 . 1 189 30 LYS HA H 3.62 . 1 190 30 LYS HB2 H 1.89 . 2 191 30 LYS HB3 H 2.10 . 2 192 30 LYS HG2 H 1.18 . 2 193 30 LYS HG3 H 1.30 . 2 194 30 LYS HD2 H 1.62 . 1 195 30 LYS HD3 H 1.62 . 1 196 30 LYS HE2 H 2.81 . 2 197 30 LYS HE3 H 2.86 . 2 198 31 LEU H H 7.62 . 1 199 31 LEU HA H 4.03 . 1 200 31 LEU HB2 H 1.74 . 2 201 31 LEU HB3 H 1.86 . 2 202 31 LEU HG H 1.87 . 1 203 31 LEU HD1 H 0.99 . 1 204 31 LEU HD2 H 0.99 . 1 205 32 LEU H H 8.14 . 1 206 32 LEU HA H 2.33 . 1 207 32 LEU HB2 H 1.20 . 2 208 32 LEU HB3 H 1.76 . 2 209 32 LEU HG H 1.24 . 1 210 32 LEU HD1 H 0.80 . 2 211 32 LEU HD2 H 0.93 . 2 212 33 LEU H H 8.85 . 1 213 33 LEU HA H 3.85 . 1 214 33 LEU HB2 H 1.31 . 2 215 33 LEU HB3 H 1.97 . 2 216 33 LEU HG H 2.02 . 1 217 33 LEU HD1 H 0.79 . 2 218 33 LEU HD2 H 0.92 . 2 219 34 GLN H H 8.69 . 1 220 34 GLN HA H 3.81 . 1 221 34 GLN HB2 H 1.95 . 2 222 34 GLN HB3 H 2.17 . 2 223 34 GLN HG2 H 2.36 . 2 224 34 GLN HG3 H 2.54 . 2 225 34 GLN HE21 H 6.79 . 2 226 34 GLN HE22 H 7.34 . 2 227 35 THR H H 7.57 . 1 228 35 THR HA H 4.05 . 1 229 35 THR HB H 4.16 . 1 230 35 THR HG2 H 1.22 . 1 231 36 GLU H H 8.40 . 1 232 36 GLU HA H 4.21 . 1 233 36 GLU HB2 H 1.30 . 2 234 36 GLU HB3 H 1.46 . 2 235 36 GLU HG2 H 2.16 . 2 236 36 GLU HG3 H 2.64 . 2 237 37 PHE H H 7.86 . 1 238 37 PHE HA H 5.21 . 1 239 37 PHE HB2 H 2.74 . 2 240 37 PHE HB3 H 3.33 . 2 241 37 PHE HD1 H 7.14 . 1 242 37 PHE HD2 H 7.14 . 1 243 37 PHE HE1 H 7.01 . 1 244 37 PHE HE2 H 7.01 . 1 245 37 PHE HZ H 7.12 . 1 246 38 PRO HA H 4.16 . 1 247 38 PRO HB2 H 1.21 . 2 248 38 PRO HB3 H 2.42 . 2 249 38 PRO HG2 H 1.96 . 1 250 38 PRO HG3 H 1.96 . 1 251 38 PRO HD2 H 3.07 . 2 252 38 PRO HD3 H 3.51 . 2 253 39 SER H H 8.34 . 1 254 39 SER HA H 4.22 . 1 255 39 SER HB2 H 3.90 . 2 256 39 SER HB3 H 3.97 . 2 257 40 LEU H H 7.99 . 1 258 40 LEU HA H 4.16 . 1 259 40 LEU HB2 H 1.55 . 2 260 40 LEU HB3 H 1.86 . 2 261 40 LEU HG H 1.72 . 1 262 40 LEU HD1 H 0.74 . 1 263 40 LEU HD2 H 0.74 . 1 264 41 LEU H H 7.59 . 1 265 41 LEU HA H 4.38 . 1 266 41 LEU HB2 H 1.61 . 2 267 41 LEU HB3 H 1.82 . 2 268 41 LEU HG H 1.55 . 1 269 41 LEU HD1 H 0.81 . 2 270 41 LEU HD2 H 0.94 . 2 271 42 LYS H H 7.34 . 1 272 42 LYS HA H 4.38 . 1 273 42 LYS HB2 H 1.73 . 2 274 42 LYS HB3 H 1.96 . 2 275 42 LYS HG2 H 1.41 . 2 276 42 LYS HG3 H 1.48 . 2 277 42 LYS HD2 H 1.64 . 2 278 42 LYS HD3 H 1.70 . 2 279 42 LYS HE2 H 2.99 . 1 280 42 LYS HE3 H 2.99 . 1 281 43 GLY H H 8.00 . 1 282 43 GLY HA2 H 4.10 . 2 283 43 GLY HA3 H 4.30 . 2 284 44 PRO HA H 4.39 . 1 285 44 PRO HB2 H 2.04 . 2 286 44 PRO HB3 H 2.32 . 2 287 44 PRO HG2 H 2.06 . 1 288 44 PRO HG3 H 2.06 . 1 289 44 PRO HD2 H 3.76 . 2 290 44 PRO HD3 H 3.60 . 2 291 45 SER H H 8.15 . 1 292 45 SER HA H 4.74 . 1 293 45 SER HB2 H 3.86 . 2 294 45 SER HB3 H 3.89 . 2 295 46 THR H H 8.05 . 1 296 46 THR HA H 4.15 . 1 297 46 THR HB H 4.31 . 1 298 46 THR HG2 H 1.43 . 1 299 47 LEU H H 8.62 . 1 300 47 LEU HA H 3.92 . 1 301 47 LEU HB2 H 1.59 . 2 302 47 LEU HB3 H 1.92 . 2 303 47 LEU HG H 1.54 . 1 304 47 LEU HD1 H 0.94 . 1 305 47 LEU HD2 H 0.94 . 1 306 48 ASP H H 7.96 . 1 307 48 ASP HA H 4.19 . 1 308 48 ASP HB2 H 2.62 . 2 309 48 ASP HB3 H 2.73 . 2 310 49 GLU H H 7.80 . 1 311 49 GLU HA H 4.02 . 1 312 49 GLU HB2 H 2.02 . 2 313 49 GLU HB3 H 2.21 . 2 314 49 GLU HG2 H 2.27 . 2 315 49 GLU HG3 H 2.39 . 2 316 50 LEU H H 8.68 . 1 317 50 LEU HA H 4.19 . 1 318 50 LEU HB2 H 1.51 . 2 319 50 LEU HB3 H 1.82 . 2 320 50 LEU HG H 1.64 . 1 321 50 LEU HD1 H 0.79 . 2 322 50 LEU HD2 H 0.83 . 2 323 51 PHE H H 8.96 . 1 324 51 PHE HA H 3.64 . 1 325 51 PHE HB2 H 3.00 . 2 326 51 PHE HB3 H 3.22 . 2 327 51 PHE HD1 H 7.13 . 1 328 51 PHE HD2 H 7.13 . 1 329 51 PHE HE1 H 7.12 . 1 330 51 PHE HE2 H 7.12 . 1 331 51 PHE HZ H 7.15 . 1 332 52 GLU H H 7.77 . 1 333 52 GLU HA H 3.97 . 1 334 52 GLU HB2 H 1.90 . 2 335 52 GLU HB3 H 2.10 . 2 336 52 GLU HG2 H 2.15 . 2 337 52 GLU HG3 H 2.37 . 2 338 53 GLU H H 7.86 . 1 339 53 GLU HA H 3.89 . 1 340 53 GLU HB2 H 2.09 . 2 341 53 GLU HB3 H 2.15 . 2 342 53 GLU HG2 H 1.98 . 2 343 53 GLU HG3 H 2.26 . 2 344 54 LEU H H 8.00 . 1 345 54 LEU HA H 4.15 . 1 346 54 LEU HB2 H 1.13 . 2 347 54 LEU HB3 H 1.62 . 2 348 54 LEU HG H 2.03 . 1 349 54 LEU HD1 H 0.74 . 2 350 54 LEU HD2 H 0.82 . 2 351 55 ASP H H 7.99 . 1 352 55 ASP HA H 4.56 . 1 353 55 ASP HB2 H 1.59 . 2 354 55 ASP HB3 H 2.52 . 2 355 56 LYS H H 8.06 . 1 356 56 LYS HA H 4.05 . 1 357 56 LYS HB2 H 1.88 . 2 358 56 LYS HB3 H 1.94 . 2 359 56 LYS HG2 H 1.50 . 2 360 56 LYS HG3 H 1.60 . 2 361 56 LYS HD2 H 1.74 . 1 362 56 LYS HD3 H 1.74 . 1 363 56 LYS HE2 H 3.06 . 2 364 56 LYS HE3 H 3.12 . 2 365 57 ASN H H 7.92 . 1 366 57 ASN HA H 4.82 . 1 367 57 ASN HB2 H 2.86 . 2 368 57 ASN HB3 H 3.30 . 2 369 57 ASN HD21 H 6.62 . 2 370 57 ASN HD22 H 8.03 . 2 371 58 GLY H H 7.58 . 1 372 58 GLY HA2 H 3.84 . 1 373 58 GLY HA3 H 3.84 . 1 374 59 ASP H H 8.23 . 1 375 59 ASP HA H 4.64 . 1 376 59 ASP HB2 H 2.46 . 2 377 59 ASP HB3 H 3.14 . 2 378 60 GLY H H 10.49 . 1 379 60 GLY HA2 H 3.71 . 2 380 60 GLY HA3 H 4.27 . 2 381 61 GLU H H 7.77 . 1 382 61 GLU HA H 5.13 . 1 383 61 GLU HB2 H 1.44 . 2 384 61 GLU HB3 H 1.91 . 2 385 61 GLU HG2 H 2.03 . 2 386 61 GLU HG3 H 2.20 . 2 387 62 VAL H H 10.35 . 1 388 62 VAL HA H 5.10 . 1 389 62 VAL HB H 2.36 . 1 390 62 VAL HG1 H 0.50 . 2 391 62 VAL HG2 H 1.26 . 2 392 63 SER H H 9.55 . 1 393 63 SER HA H 4.88 . 1 394 63 SER HB2 H 4.20 . 2 395 63 SER HB3 H 4.51 . 2 396 63 SER OOH H 5.98 . 1 397 64 PHE H H 9.62 . 1 398 64 PHE HA H 3.28 . 1 399 64 PHE HB2 H 2.46 . 2 400 64 PHE HB3 H 2.66 . 2 401 64 PHE HD1 H 6.49 . 1 402 64 PHE HD2 H 6.49 . 1 403 64 PHE HE1 H 7.13 . 1 404 64 PHE HE2 H 7.13 . 1 405 64 PHE HZ H 7.35 . 1 406 65 GLU H H 8.45 . 1 407 65 GLU HA H 3.87 . 1 408 65 GLU HB2 H 1.89 . 2 409 65 GLU HB3 H 2.05 . 2 410 65 GLU HG2 H 2.24 . 1 411 65 GLU HG3 H 2.24 . 1 412 66 GLU H H 8.00 . 1 413 66 GLU HA H 4.07 . 1 414 66 GLU HB2 H 1.65 . 2 415 66 GLU HB3 H 1.84 . 2 416 66 GLU HG2 H 2.36 . 2 417 66 GLU HG3 H 2.56 . 2 418 67 PHE H H 8.89 . 1 419 67 PHE HA H 3.96 . 1 420 67 PHE HB2 H 3.10 . 2 421 67 PHE HB3 H 3.28 . 2 422 67 PHE HD1 H 6.91 . 1 423 67 PHE HD2 H 6.91 . 1 424 67 PHE HE1 H 7.16 . 1 425 67 PHE HE2 H 7.16 . 1 426 67 PHE HZ H 7.09 . 1 427 68 GLN H H 7.59 . 1 428 68 GLN HA H 3.49 . 1 429 68 GLN HB2 H 1.90 . 2 430 68 GLN HB3 H 1.98 . 2 431 68 GLN HG2 H 2.15 . 2 432 68 GLN HG3 H 2.36 . 2 433 68 GLN HE21 H 5.74 . 2 434 68 GLN HE22 H 6.15 . 2 435 69 VAL H H 7.08 . 1 436 69 VAL HA H 3.56 . 1 437 69 VAL HB H 1.94 . 1 438 69 VAL HG1 H 0.82 . 2 439 69 VAL HG2 H 1.03 . 2 440 70 LEU H H 7.12 . 1 441 70 LEU HA H 3.78 . 1 442 70 LEU HB2 H 1.20 . 2 443 70 LEU HB3 H 1.32 . 2 444 70 LEU HG H 1.25 . 1 445 70 LEU HD1 H 0.57 . 2 446 70 LEU HD2 H 0.70 . 2 447 71 VAL H H 6.99 . 1 448 71 VAL HA H 3.08 . 1 449 71 VAL HB H 1.96 . 1 450 71 VAL HG1 H 0.62 . 2 451 71 VAL HG2 H 0.77 . 2 452 72 LYS H H 7.40 . 1 453 72 LYS HA H 3.98 . 1 454 72 LYS HB2 H 1.75 . 2 455 72 LYS HB3 H 1.83 . 2 456 72 LYS HD2 H 1.60 . 1 457 72 LYS HD3 H 1.60 . 1 458 72 LYS HE2 H 2.90 . 1 459 72 LYS HE3 H 2.90 . 1 460 73 LYS H H 7.43 . 1 461 73 LYS HA H 4.12 . 1 462 73 LYS HB2 H 1.84 . 2 463 73 LYS HB3 H 1.88 . 2 464 73 LYS HG2 H 1.48 . 2 465 73 LYS HG3 H 1.54 . 2 466 73 LYS HD2 H 1.42 . 2 467 73 LYS HD3 H 1.59 . 2 468 73 LYS HE2 H 2.70 . 2 469 73 LYS HE3 H 2.82 . 2 470 74 ILE H H 7.39 . 1 471 74 ILE HA H 4.01 . 1 472 74 ILE HB H 1.74 . 1 473 74 ILE HG12 H 0.71 . 2 474 74 ILE HG13 H 1.18 . 2 475 74 ILE HG2 H 0.58 . 1 476 74 ILE HD1 H 0.16 . 1 477 75 SER H H 7.74 . 1 478 75 SER HA H 4.50 . 1 479 75 SER HB2 H 3.86 . 1 480 75 SER HB3 H 3.86 . 1 481 76 GLN H H 7.63 . 1 482 76 GLN HA H 4.15 . 1 483 76 GLN HB2 H 1.95 . 2 484 76 GLN HB3 H 2.11 . 2 485 76 GLN HG2 H 2.31 . 1 486 76 GLN HG3 H 2.31 . 1 487 76 GLN HE21 H 6.80 . 2 488 76 GLN HE22 H 7.50 . 2 stop_ loop_ _Chem_shift_value_error .01 stop_ save_