data_2281 #Corrected using PDB structure: 1TTG_ # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 45 V HA 4.19 3.25 # 47 E HA 5.80 5.04 # 59 I HA 3.92 4.86 # 62 L HA 4.19 5.25 # 63 K HA 3.91 4.69 # 74 A HA 4.33 3.24 # 81 S HA 4.72 3.99 # 91 N HA 5.95 5.18 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.20 N/A N/A N/A N/A -0.24 # #bmr2281.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr2281.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 #+/-0.04 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 #0.689 N/A N/A N/A N/A 0.669 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.178 N/A N/A N/A N/A 0.322 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR Assignment and Secondary Structure of the Cell Adhesion Type III Module of Fibronectin ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Baron Martin . . 2 Main Alison L. . 3 Driscoll Paul C. . 4 Mardon Helen J. . 5 Boyd Jonathan . . 6 Campbell Iain D. . stop_ _BMRB_accession_number 2281 _BMRB_flat_file_name bmr2281.str _Entry_type revision _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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' 481 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 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 ; Baron, Martin, Main, Alison L., Driscoll, Paul C., Mardon, Helen J., Boyd, Jonathan, Campbell, Iain D., "1H NMR Assignment and Secondary Structure of the Cell Adhesion Type III Module of Fibronectin," Biochemistry 31 (7), 2068-2073 (1992). ; _Citation_title ; 1H NMR Assignment and Secondary Structure of the Cell Adhesion Type III Module of Fibronectin ; _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 Baron Martin . . 2 Main Alison L. . 3 Driscoll Paul C. . 4 Mardon Helen J. . 5 Boyd Jonathan . . 6 Campbell Iain D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 7 _Page_first 2068 _Page_last 2073 _Year 1992 save_ ################################## # Molecular system description # ################################## save_system_fibronectin _Saveframe_category molecular_system _Mol_system_name fibronectin _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label fibronectin $fibronectin stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1FNF "Fragment Of Human Fibronectin Encompassing Type-Iii Repeats 7 Through 10" . PDB 1TTF "Fibronectin (Tenth Type Iii Module) (Nmr, 36 Structures)" . PDB 1TTG "Fibronectin (Tenth Type Iii Module) (Nmr, Restrained Minimized Average Structure)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_fibronectin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common fibronectin _Name_variant 'cell adhesion type III module' _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; VSDVPRDLEVVAATPTSLLI SWDAPAVTVRYYRITYGETG GNSPVQEFTVPGSKSTATIS GLKPGVDYTITVYAVTGRGD SPASSKPISINYRT ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 SER 3 ASP 4 VAL 5 PRO 6 ARG 7 ASP 8 LEU 9 GLU 10 VAL 11 VAL 12 ALA 13 ALA 14 THR 15 PRO 16 THR 17 SER 18 LEU 19 LEU 20 ILE 21 SER 22 TRP 23 ASP 24 ALA 25 PRO 26 ALA 27 VAL 28 THR 29 VAL 30 ARG 31 TYR 32 TYR 33 ARG 34 ILE 35 THR 36 TYR 37 GLY 38 GLU 39 THR 40 GLY 41 GLY 42 ASN 43 SER 44 PRO 45 VAL 46 GLN 47 GLU 48 PHE 49 THR 50 VAL 51 PRO 52 GLY 53 SER 54 LYS 55 SER 56 THR 57 ALA 58 THR 59 ILE 60 SER 61 GLY 62 LEU 63 LYS 64 PRO 65 GLY 66 VAL 67 ASP 68 TYR 69 THR 70 ILE 71 THR 72 VAL 73 TYR 74 ALA 75 VAL 76 THR 77 GLY 78 ARG 79 GLY 80 ASP 81 SER 82 PRO 83 ALA 84 SER 85 SER 86 LYS 87 PRO 88 ILE 89 SER 90 ILE 91 ASN 92 TYR 93 ARG 94 THR stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-05-28 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 1FNA "Fibronectin Cell-Adhesion Module TypeIii-10" 103.30 91 100 100 10e-44 PDB 1TTF "Fibronectin (Tenth Type Iii Module) (Nmr, 36Structures)" 100.00 94 100 100 8e-48 PDB 1TTG "Fibronectin (Tenth Type Iii Module) (Nmr,Restrained Minimized Average Structure)" 100.00 94 100 100 8e-48 PDB 1FNF "Fragment Of Human Fibronectin EncompassingType-Iii Repeats 7 Through 10" 25.54 368 100 100 8e-48 EMBL CAE45958.1 "hypothetical protein [Homo sapiens]" 7.49 1255 100 100 8e-48 EMBL CAD91166.1 "hypothetical protein [Homo sapiens]" 4.15 2265 100 100 8e-48 EMBL CAA26536.1 "fibronectin precursor [Homo sapiens]" 4.04 2328 100 100 8e-48 EMBL CAD97964.1 "hypothetical protein [Homo sapiens]" 3.85 2444 100 100 8e-48 EMBL CAD97965.1 "hypothetical protein [Homo sapiens]" 3.85 2444 100 100 8e-48 GenBank AAA58483.1 "fibronecton type III" 101.08 93 100 100 2e-47 GenBank AAD09450.1 "fibronectin [Homo sapiens]" 32.75 287 100 100 7e-47 GenBank AAD00018.1 "fibronectin [Homo sapiens]" 17.25 545 100 100 2e-23 GenBank AAD00019.1 "fibronectin [Homo sapiens]" 12.02 782 100 100 8e-48 PIR FNHU "fibronectin precursor [validated] - human" 3.94 2386 100 100 8e-48 REF NP_997639.1 "fibronectin 1 isoform 6 preproprotein;cold-insoluble globulin; migration-stimulating factor[Homo sapiens]" 4.32 2176 100 100 8e-48 REF NP_997641.1 "fibronectin 1 isoform 5 preproprotein;cold-insoluble globulin; migration-stimulating factor[Homo sapiens]" 4.09 2296 100 100 8e-48 REF NP_997643.1 "fibronectin 1 isoform 4 preproprotein;cold-insoluble globulin; migration-stimulating factor[Homo sapiens]" 4.03 2330 100 100 8e-48 REF NP_002017.1 "fibronectin 1 isoform 3 preproprotein;cold-insoluble globulin; migration-stimulating factor[Homo sapiens]" 3.99 2355 100 100 8e-48 REF NP_997647.1 "fibronectin 1 isoform 1 preproprotein;cold-insoluble globulin; migration-stimulating factor[Homo sapiens]" 3.79 2477 100 100 8e-48 SWISS-PROT P02751 "FINC_HUMAN Fibronectin precursor (FN)(Cold-insoluble globulin) (CIG)" 3.94 2386 100 100 8e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Genus _Species _Strain $fibronectin human ? Homo sapiens generic stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain $fibronectin 'not available' yeast Saccharomyces cerevisiae MD50/a,alpha/leu2,3 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 4 . na temperature 320 . 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 p-dioxane H ppm 3.75 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 'fibronectin' 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 VAL HA H 4.01 . 1 2 1 VAL HB H 2.35 . 1 3 1 VAL HG1 H 1.17 . 1 4 1 VAL HG2 H 1.17 . 1 5 2 SER HA H 4.79 . 1 6 2 SER HB2 H 4.08 . 1 7 2 SER HB3 H 4.08 . 1 8 3 ASP H H 8.66 . 1 9 3 ASP HA H 4.74 . 1 10 3 ASP HB2 H 3.07 . 2 11 3 ASP HB3 H 2.72 . 2 12 4 VAL H H 7.57 . 1 13 4 VAL HA H 4.79 . 1 14 4 VAL HB H 2.27 . 1 15 4 VAL HG1 H 1.23 . 2 16 4 VAL HG2 H 1.14 . 2 17 5 PRO HA H 4.77 . 1 18 5 PRO HB2 H 2.34 . 1 19 5 PRO HB3 H 2.34 . 1 20 5 PRO HG2 H 1.82 . 2 21 5 PRO HG3 H 1.94 . 2 22 5 PRO HD2 H 3.87 . 2 23 5 PRO HD3 H 4.06 . 2 24 6 ARG H H 8.31 . 1 25 6 ARG HA H 4.87 . 1 26 6 ARG HB2 H 1.84 . 1 27 6 ARG HB3 H 1.84 . 1 28 6 ARG HG2 H 1.80 . 1 29 6 ARG HG3 H 1.80 . 1 30 6 ARG HD2 H 3.38 . 1 31 6 ARG HD3 H 3.38 . 1 32 7 ASP H H 8.97 . 1 33 7 ASP HA H 4.44 . 1 34 7 ASP HB2 H 3.27 . 2 35 7 ASP HB3 H 2.68 . 2 36 8 LEU H H 7.45 . 1 37 8 LEU HA H 5.20 . 1 38 8 LEU HB2 H 1.80 . 2 39 8 LEU HB3 H 1.30 . 2 40 8 LEU HG H 1.57 . 1 41 8 LEU HD1 H 1.08 . 2 42 8 LEU HD2 H 0.84 . 2 43 9 GLU H H 9.34 . 1 44 9 GLU HA H 4.89 . 1 45 9 GLU HB2 H 2.14 . 2 46 9 GLU HB3 H 1.94 . 2 47 10 VAL H H 8.55 . 1 48 10 VAL HA H 4.43 . 1 49 10 VAL HB H 1.81 . 1 50 10 VAL HG1 H 0.59 . 2 51 10 VAL HG2 H 0.52 . 2 52 11 VAL H H 9.00 . 1 53 11 VAL HA H 4.20 . 1 54 11 VAL HB H 2.04 . 1 55 11 VAL HG1 H 0.99 . 2 56 11 VAL HG2 H 0.94 . 2 57 12 ALA H H 7.86 . 1 58 12 ALA HA H 4.67 . 1 59 12 ALA HB H 1.50 . 1 60 13 ALA H H 8.50 . 1 61 13 ALA HA H 5.12 . 1 62 13 ALA HB H 1.33 . 1 63 14 THR H H 9.03 . 1 64 14 THR HA H 5.02 . 1 65 14 THR HB H 4.83 . 1 66 14 THR HG2 H 1.28 . 1 67 15 PRO HA H 4.64 . 1 68 15 PRO HB2 H 2.08 . 2 69 15 PRO HB3 H 2.63 . 2 70 15 PRO HG2 H 2.33 . 1 71 15 PRO HG3 H 2.33 . 1 72 15 PRO HD2 H 3.92 . 2 73 15 PRO HD3 H 4.12 . 2 74 16 THR H H 7.36 . 1 75 16 THR HA H 4.72 . 1 76 16 THR HB H 4.76 . 1 77 16 THR HG2 H 1.27 . 1 78 17 SER H H 7.81 . 1 79 17 SER HA H 5.47 . 1 80 17 SER HB2 H 3.83 . 1 81 17 SER HB3 H 3.83 . 1 82 18 LEU H H 8.88 . 1 83 18 LEU HA H 5.02 . 1 84 18 LEU HB2 H 1.50 . 2 85 18 LEU HB3 H 1.36 . 2 86 18 LEU HG H 1.45 . 1 87 18 LEU HD1 H 0.78 . 2 88 18 LEU HD2 H 0.60 . 2 89 19 LEU H H 8.74 . 1 90 19 LEU HA H 5.24 . 1 91 19 LEU HB2 H 1.92 . 1 92 19 LEU HB3 H 1.92 . 1 93 19 LEU HG H 1.52 . 1 94 19 LEU HD1 H 0.92 . 2 95 19 LEU HD2 H 0.88 . 2 96 20 ILE H H 9.13 . 1 97 20 ILE HA H 5.60 . 1 98 20 ILE HB H 2.06 . 1 99 20 ILE HG12 H 1.88 . 2 100 20 ILE HG13 H 1.31 . 2 101 20 ILE HG2 H 0.89 . 1 102 20 ILE HD1 H 0.97 . 1 103 21 SER H H 9.01 . 1 104 21 SER HA H 5.13 . 1 105 21 SER HB2 H 3.56 . 2 106 21 SER HB3 H 3.77 . 2 107 22 TRP H H 7.80 . 1 108 22 TRP HA H 5.14 . 1 109 22 TRP HB2 H 3.03 . 2 110 22 TRP HB3 H 3.38 . 2 111 22 TRP HD1 H 6.64 . 1 112 22 TRP HE1 H 7.58 . 1 113 22 TRP HE3 H 6.94 . 1 114 22 TRP HZ2 H 6.29 . 1 115 22 TRP HZ3 H 6.56 . 1 116 22 TRP HH2 H 6.56 . 1 117 23 ASP H H 9.09 . 1 118 23 ASP HA H 5.20 . 1 119 23 ASP HB2 H 2.93 . 2 120 23 ASP HB3 H 2.76 . 2 121 24 ALA H H 8.83 . 1 122 24 ALA HA H 4.78 . 1 123 24 ALA HB H 1.71 . 1 124 25 PRO HA H 4.78 . 1 125 25 PRO HB2 H 2.02 . 1 126 25 PRO HB3 H 2.02 . 1 127 25 PRO HG2 H 1.93 . 1 128 25 PRO HG3 H 1.93 . 1 129 25 PRO HD2 H 3.71 . 2 130 25 PRO HD3 H 4.23 . 2 131 26 ALA H H 8.53 . 1 132 26 ALA HA H 4.53 . 1 133 26 ALA HB H 1.56 . 1 134 27 VAL H H 7.27 . 1 135 27 VAL HA H 4.52 . 1 136 27 VAL HB H 2.27 . 1 137 27 VAL HG1 H 1.00 . 2 138 27 VAL HG2 H 0.90 . 2 139 28 THR H H 8.15 . 1 140 28 THR HA H 4.11 . 1 141 28 THR HB H 4.09 . 1 142 28 THR HG2 H 1.27 . 1 143 29 VAL H H 8.59 . 1 144 29 VAL HA H 3.90 . 1 145 29 VAL HB H 2.01 . 1 146 29 VAL HG1 H 1.00 . 2 147 29 VAL HG2 H 0.11 . 2 148 30 ARG H H 8.92 . 1 149 30 ARG HA H 4.32 . 1 150 30 ARG HB2 H 1.70 . 2 151 30 ARG HB3 H 2.01 . 2 152 30 ARG HG2 H 1.75 . 2 153 30 ARG HG3 H 1.81 . 2 154 30 ARG HD2 H 3.30 . 2 155 30 ARG HD3 H 3.22 . 2 156 31 TYR H H 7.40 . 1 157 31 TYR HA H 4.81 . 1 158 31 TYR HB2 H 3.25 . 2 159 31 TYR HB3 H 3.57 . 2 160 31 TYR HD1 H 6.91 . 1 161 31 TYR HD2 H 6.91 . 1 162 31 TYR HE1 H 6.79 . 1 163 31 TYR HE2 H 6.79 . 1 164 32 TYR H H 9.60 . 1 165 32 TYR HA H 5.47 . 1 166 32 TYR HB2 H 2.62 . 2 167 32 TYR HB3 H 2.83 . 2 168 32 TYR HD1 H 7.09 . 1 169 32 TYR HD2 H 7.09 . 1 170 32 TYR HE1 H 7.10 . 1 171 32 TYR HE2 H 7.10 . 1 172 33 ARG H H 9.18 . 1 173 33 ARG HA H 5.00 . 1 174 33 ARG HB2 H 1.85 . 1 175 33 ARG HB3 H 1.85 . 1 176 33 ARG HG2 H 1.50 . 1 177 33 ARG HG3 H 1.50 . 1 178 33 ARG HD2 H 3.03 . 1 179 33 ARG HD3 H 3.03 . 1 180 34 ILE H H 9.05 . 1 181 34 ILE HA H 5.17 . 1 182 34 ILE HB H 0.75 . 1 183 34 ILE HG2 H 0.66 . 1 184 34 ILE HD1 H 0.57 . 1 185 35 THR H H 9.36 . 1 186 35 THR HA H 5.98 . 1 187 35 THR HB H 4.36 . 1 188 35 THR HG2 H 1.27 . 1 189 36 TYR H H 8.94 . 1 190 36 TYR HA H 6.11 . 1 191 36 TYR HB2 H 2.80 . 2 192 36 TYR HB3 H 3.31 . 2 193 36 TYR HD1 H 6.85 . 1 194 36 TYR HD2 H 6.85 . 1 195 36 TYR HE1 H 6.89 . 1 196 36 TYR HE2 H 6.89 . 1 197 37 GLY H H 8.38 . 1 198 37 GLY HA2 H 4.70 . 2 199 37 GLY HA3 H 4.32 . 2 200 38 GLU H H 9.01 . 1 201 38 GLU HA H 4.36 . 1 202 38 GLU HB2 H 2.11 . 2 203 38 GLU HB3 H 1.93 . 2 204 38 GLU HG2 H 2.49 . 2 205 38 GLU HG3 H 2.22 . 2 206 39 THR H H 9.01 . 1 207 39 THR HA H 4.08 . 1 208 39 THR HB H 3.91 . 1 209 39 THR HG2 H 1.23 . 1 210 40 GLY H H 8.93 . 1 211 40 GLY HA2 H 4.22 . 2 212 40 GLY HA3 H 3.96 . 2 213 41 GLY H H 8.05 . 1 214 41 GLY HA2 H 4.22 . 2 215 41 GLY HA3 H 4.03 . 2 216 42 ASN H H 8.49 . 1 217 42 ASN HA H 4.92 . 1 218 42 ASN HB2 H 3.02 . 2 219 42 ASN HB3 H 2.88 . 2 220 43 SER H H 7.85 . 1 221 43 SER HA H 4.97 . 1 222 43 SER HB2 H 4.02 . 1 223 43 SER HB3 H 4.02 . 1 224 44 PRO HA H 4.64 . 1 225 44 PRO HB2 H 2.47 . 1 226 44 PRO HB3 H 2.47 . 1 227 44 PRO HG2 H 1.99 . 2 228 44 PRO HG3 H 2.16 . 2 229 44 PRO HD2 H 3.84 . 2 230 44 PRO HD3 H 4.01 . 2 231 45 VAL H H 8.38 . 1 232 45 VAL HA H 4.39 . 1 233 45 VAL HB H 2.13 . 1 234 45 VAL HG1 H 1.04 . 1 235 45 VAL HG2 H 1.04 . 1 236 46 GLN H H 8.27 . 1 237 46 GLN HA H 4.62 . 1 238 46 GLN HB2 H 2.35 . 2 239 46 GLN HB3 H 2.40 . 2 240 46 GLN HG2 H 1.93 . 1 241 46 GLN HG3 H 1.93 . 1 242 47 GLU H H 8.49 . 1 243 47 GLU HA H 6.00 . 1 244 47 GLU HB2 H 2.13 . 2 245 47 GLU HB3 H 2.07 . 2 246 47 GLU HG2 H 2.41 . 1 247 47 GLU HG3 H 2.41 . 1 248 48 PHE H H 9.21 . 1 249 48 PHE HA H 5.19 . 1 250 48 PHE HB2 H 3.55 . 2 251 48 PHE HB3 H 3.65 . 2 252 48 PHE HD1 H 7.46 . 1 253 48 PHE HD2 H 7.46 . 1 254 48 PHE HE1 H 7.37 . 1 255 48 PHE HE2 H 7.37 . 1 256 48 PHE HZ H 7.14 . 1 257 49 THR H H 8.53 . 1 258 49 THR HA H 5.89 . 1 259 49 THR HB H 4.30 . 1 260 49 THR HG2 H 1.22 . 1 261 50 VAL H H 9.07 . 1 262 50 VAL HA H 5.22 . 1 263 50 VAL HB H 2.51 . 1 264 50 VAL HG1 H 1.62 . 2 265 50 VAL HG2 H 1.43 . 2 266 51 PRO HA H 4.88 . 1 267 51 PRO HB2 H 2.27 . 2 268 51 PRO HB3 H 2.85 . 2 269 51 PRO HG2 H 2.33 . 1 270 51 PRO HG3 H 2.33 . 1 271 51 PRO HD2 H 3.99 . 2 272 51 PRO HD3 H 4.25 . 2 273 52 GLY H H 7.95 . 1 274 52 GLY HA2 H 4.02 . 1 275 52 GLY HA3 H 4.02 . 1 276 53 SER H H 7.62 . 1 277 53 SER HA H 4.71 . 1 278 53 SER HB2 H 4.07 . 2 279 53 SER HB3 H 4.32 . 2 280 54 LYS H H 8.28 . 1 281 54 LYS HA H 4.67 . 1 282 54 LYS HB2 H 2.13 . 2 283 54 LYS HB3 H 2.28 . 2 284 54 LYS HG2 H 2.19 . 1 285 54 LYS HG3 H 2.19 . 1 286 55 SER H H 8.17 . 1 287 55 SER HA H 3.77 . 1 288 55 SER HB2 H 3.36 . 2 289 55 SER HB3 H 3.59 . 2 290 56 THR H H 6.62 . 1 291 56 THR HA H 4.82 . 1 292 56 THR HB H 4.12 . 1 293 56 THR HG2 H 1.06 . 1 294 57 ALA H H 8.63 . 1 295 57 ALA HA H 4.87 . 1 296 57 ALA HB H 1.76 . 1 297 58 THR H H 8.47 . 1 298 58 THR HA H 5.25 . 1 299 58 THR HB H 3.99 . 1 300 58 THR HG2 H 1.14 . 1 301 59 ILE H H 9.14 . 1 302 59 ILE HA H 4.12 . 1 303 59 ILE HB H 1.45 . 1 304 59 ILE HG12 H 0.95 . 2 305 59 ILE HG13 H 1.54 . 2 306 59 ILE HG2 H 0.08 . 1 307 59 ILE HD1 H 0.66 . 1 308 60 SER H H 8.44 . 1 309 60 SER HA H 5.11 . 1 310 60 SER HB2 H 3.81 . 2 311 60 SER HB3 H 3.88 . 2 312 61 GLY H H 8.59 . 1 313 61 GLY HA2 H 4.13 . 2 314 61 GLY HA3 H 3.96 . 2 315 62 LEU H H 8.32 . 1 316 62 LEU HA H 4.39 . 1 317 62 LEU HB2 H 1.42 . 2 318 62 LEU HB3 H 1.28 . 2 319 62 LEU HG H 1.11 . 1 320 62 LEU HD1 H 0.24 . 2 321 62 LEU HD2 H 0.08 . 2 322 63 LYS H H 8.46 . 1 323 63 LYS HA H 4.11 . 1 324 63 LYS HB2 H 1.94 . 2 325 63 LYS HB3 H 2.02 . 2 326 63 LYS HD2 H 3.18 . 1 327 63 LYS HD3 H 3.18 . 1 328 64 PRO HA H 4.87 . 1 329 64 PRO HB2 H 2.42 . 1 330 64 PRO HB3 H 2.42 . 1 331 64 PRO HG2 H 2.08 . 2 332 64 PRO HG3 H 2.22 . 2 333 64 PRO HD2 H 3.83 . 2 334 64 PRO HD3 H 4.00 . 2 335 65 GLY H H 8.06 . 1 336 65 GLY HA2 H 4.13 . 2 337 65 GLY HA3 H 3.85 . 2 338 66 VAL H H 7.73 . 1 339 66 VAL HA H 4.25 . 1 340 66 VAL HB H 2.12 . 1 341 66 VAL HG1 H 0.86 . 2 342 66 VAL HG2 H 0.56 . 2 343 67 ASP H H 8.26 . 1 344 67 ASP HA H 5.13 . 1 345 67 ASP HB2 H 2.99 . 2 346 67 ASP HB3 H 2.69 . 2 347 68 TYR H H 9.44 . 1 348 68 TYR HA H 5.15 . 1 349 68 TYR HB2 H 2.93 . 2 350 68 TYR HB3 H 3.08 . 2 351 68 TYR HD1 H 7.25 . 1 352 68 TYR HD2 H 7.25 . 1 353 68 TYR HE1 H 7.25 . 1 354 68 TYR HE2 H 7.25 . 1 355 69 THR H H 9.13 . 1 356 69 THR HA H 5.22 . 1 357 69 THR HB H 4.04 . 1 358 69 THR HG1 H 1.26 . 1 359 69 THR HG2 H 1.26 . 1 360 70 ILE H H 9.38 . 1 361 70 ILE HA H 5.11 . 1 362 70 ILE HB H 1.82 . 1 363 70 ILE HG12 H 1.12 . 2 364 70 ILE HG13 H 1.62 . 2 365 70 ILE HG2 H 0.92 . 1 366 70 ILE HD1 H 0.83 . 1 367 71 THR H H 9.24 . 1 368 71 THR HA H 5.20 . 1 369 71 THR HB H 4.14 . 1 370 71 THR HG2 H 0.84 . 1 371 72 VAL H H 8.72 . 1 372 72 VAL HA H 4.73 . 1 373 72 VAL HB H 1.42 . 1 374 72 VAL HG1 H 0.37 . 2 375 72 VAL HG2 H 0.07 . 2 376 73 TYR H H 9.12 . 1 377 73 TYR HA H 4.75 . 1 378 73 TYR HB2 H 2.90 . 2 379 73 TYR HB3 H 3.02 . 2 380 73 TYR HD1 H 6.79 . 1 381 73 TYR HD2 H 6.79 . 1 382 73 TYR HE1 H 7.18 . 1 383 73 TYR HE2 H 7.18 . 1 384 74 ALA H H 9.07 . 1 385 74 ALA HA H 4.53 . 1 386 74 ALA HB H 1.42 . 1 387 75 VAL H H 8.31 . 1 388 75 VAL HA H 4.47 . 1 389 75 VAL HB H 1.18 . 1 390 75 VAL HG1 H 0.72 . 2 391 75 VAL HG2 H 0.65 . 2 392 76 THR H H 8.58 . 1 393 76 THR HA H 4.68 . 1 394 76 THR HB H 4.45 . 1 395 76 THR HG2 H 1.22 . 1 396 77 GLY H H 8.47 . 1 397 77 GLY HA2 H 4.26 . 2 398 77 GLY HA3 H 4.12 . 2 399 78 ARG H H 8.35 . 1 400 78 ARG HA H 4.51 . 1 401 78 ARG HB2 H 1.87 . 2 402 78 ARG HB3 H 2.03 . 2 403 79 GLY H H 8.52 . 1 404 79 GLY HA2 H 4.15 . 2 405 79 GLY HA3 H 3.98 . 2 406 80 ASP H H 8.41 . 1 407 80 ASP HA H 4.78 . 1 408 80 ASP HB2 H 2.91 . 1 409 80 ASP HB3 H 2.91 . 1 410 81 SER H H 8.08 . 1 411 81 SER HA H 4.92 . 1 412 81 SER HB2 H 3.98 . 1 413 81 SER HB3 H 3.98 . 1 414 82 PRO HA H 4.58 . 1 415 82 PRO HB2 H 1.99 . 2 416 82 PRO HB3 H 2.21 . 2 417 82 PRO HG2 H 2.05 . 2 418 82 PRO HG3 H 2.18 . 2 419 82 PRO HD2 H 3.80 . 1 420 82 PRO HD3 H 3.80 . 1 421 83 ALA H H 8.32 . 1 422 83 ALA HA H 4.53 . 1 423 84 SER H H 8.25 . 1 424 84 SER HA H 4.97 . 1 425 84 SER HB2 H 3.94 . 1 426 84 SER HB3 H 3.94 . 1 427 85 SER H H 8.64 . 1 428 85 SER HA H 4.76 . 1 429 85 SER HB2 H 4.09 . 2 430 85 SER HB3 H 4.18 . 2 431 86 LYS H H 8.37 . 1 432 86 LYS HA H 4.78 . 1 433 86 LYS HB2 H 2.03 . 2 434 86 LYS HB3 H 1.93 . 2 435 86 LYS HG2 H 1.63 . 1 436 86 LYS HG3 H 1.63 . 1 437 86 LYS HE2 H 3.19 . 1 438 86 LYS HE3 H 3.19 . 1 439 87 PRO HA H 4.57 . 1 440 88 ILE H H 7.93 . 1 441 88 ILE HA H 4.66 . 1 442 88 ILE HB H 1.91 . 1 443 88 ILE HG12 H 1.22 . 2 444 88 ILE HG13 H 1.66 . 2 445 88 ILE HG2 H 0.95 . 1 446 88 ILE HD1 H 0.86 . 1 447 89 SER H H 8.24 . 1 448 89 SER HA H 5.95 . 1 449 89 SER HB2 H 3.63 . 2 450 89 SER HB3 H 3.72 . 2 451 90 ILE H H 9.08 . 1 452 90 ILE HA H 4.83 . 1 453 90 ILE HB H 2.05 . 1 454 90 ILE HG12 H 1.21 . 2 455 90 ILE HG13 H 1.61 . 2 456 90 ILE HG2 H 1.04 . 1 457 90 ILE HD1 H 0.98 . 1 458 91 ASN H H 8.36 . 1 459 91 ASN HA H 6.15 . 1 460 91 ASN HB2 H 2.80 . 1 461 91 ASN HB3 H 2.80 . 1 462 92 TYR H H 9.50 . 1 463 92 TYR HA H 4.60 . 1 464 92 TYR HB2 H 2.75 . 2 465 92 TYR HB3 H 2.86 . 2 466 92 TYR HD1 H 7.11 . 1 467 92 TYR HD2 H 7.11 . 1 468 92 TYR HE1 H 6.90 . 1 469 92 TYR HE2 H 6.90 . 1 470 93 ARG H H 7.50 . 1 471 93 ARG HA H 5.41 . 1 472 93 ARG HB2 H 1.69 . 1 473 93 ARG HB3 H 1.69 . 1 474 93 ARG HG2 H 1.41 . 1 475 93 ARG HG3 H 1.41 . 1 476 93 ARG HD2 H 3.18 . 1 477 93 ARG HD3 H 3.18 . 1 478 94 THR H H 8.94 . 1 479 94 THR HA H 4.40 . 1 480 94 THR HB H 5.03 . 1 481 94 THR HG2 H 1.51 . 1 stop_ save_