data_15759 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone chemical shift assignments of the 3FNIII module from human fibronectin ; _BMRB_accession_number 15759 _BMRB_flat_file_name bmr15759.str _Entry_type original _Submission_date 2008-05-06 _Accession_date 2008-05-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vakonakis Ioannis . . 2 Campbell Iain D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 80 "13C chemical shifts" 178 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-01 update BMRB 'complete entry citation' 2009-04-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Motogenic sites in human fibronectin are masked by long range interactions' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19366708 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vakonakis Ioannis . . 2 Staunton David . . 3 Ellis Ian R. . 4 Sarkies Peter . . 5 Flanagan Aleksandra . . 6 Schor Ana M. . 7 Schor Seth L. . 8 Campbell Iain D. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 284 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15668 _Page_last 15675 _Year 2009 _Details . loop_ _Keyword 'cell migration' fibronectin 'protein interactions' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 3F3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $3F3 stop_ _System_molecular_weight 10256.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 protein stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_3F3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 3F3 _Molecular_mass 10256.2 _Mol_thiol_state 'not present' loop_ _Biological_function 'Extracellular matrix component' 'Structural protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GPLGSAPDAPPDPTVDQVDD TSIVVRWSRPQAPITGYRIV YSPSVEGSSTELNLPETANS VTLSDLQPGVQYNITIYAVE ENQESTPVVIQQETTG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 ALA 7 PRO 8 ASP 9 ALA 10 PRO 11 PRO 12 ASP 13 PRO 14 THR 15 VAL 16 ASP 17 GLN 18 VAL 19 ASP 20 ASP 21 THR 22 SER 23 ILE 24 VAL 25 VAL 26 ARG 27 TRP 28 SER 29 ARG 30 PRO 31 GLN 32 ALA 33 PRO 34 ILE 35 THR 36 GLY 37 TYR 38 ARG 39 ILE 40 VAL 41 TYR 42 SER 43 PRO 44 SER 45 VAL 46 GLU 47 GLY 48 SER 49 SER 50 THR 51 GLU 52 LEU 53 ASN 54 LEU 55 PRO 56 GLU 57 THR 58 ALA 59 ASN 60 SER 61 VAL 62 THR 63 LEU 64 SER 65 ASP 66 LEU 67 GLN 68 PRO 69 GLY 70 VAL 71 GLN 72 TYR 73 ASN 74 ILE 75 THR 76 ILE 77 TYR 78 ALA 79 VAL 80 GLU 81 GLU 82 ASN 83 GLN 84 GLU 85 SER 86 THR 87 PRO 88 VAL 89 VAL 90 ILE 91 GLN 92 GLN 93 GLU 94 THR 95 THR 96 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 25564 entity 95.83 106 98.91 100.00 2.97e-55 PDB 2N1K "Structure Of The Third Type Iii Domain From Human Fibronectin" 95.83 106 98.91 100.00 2.97e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $3F3 Human 9606 Eukaryota Metazoa Homo sapiens FN1 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 $3F3 'recombinant technology' . Escherichia coli BL21 pGEX-6P-2 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 $3F3 0.7 mM 'natural abundance' D2O 5 % 'natural abundance' DSS 0.1 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details 'Rev 2007.068.09.07' save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.3.7 loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 115 . mM pH 6 0.05 pH pressure 1 . atm temperature 303 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 CBCA(CO)NH' '3D HNCACB' 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 protein _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO CA C 63.25 0.20 1 2 2 2 PRO CB C 32.33 0.20 1 3 3 3 LEU H H 8.51 0.02 1 4 3 3 LEU CA C 55.54 0.20 1 5 3 3 LEU CB C 42.22 0.20 1 6 3 3 LEU N N 122.14 0.20 1 7 4 4 GLY H H 8.35 0.02 1 8 4 4 GLY CA C 45.33 0.20 1 9 4 4 GLY N N 110.04 0.20 1 10 5 5 SER H H 8.08 0.02 1 11 5 5 SER CA C 57.94 0.20 1 12 5 5 SER CB C 64.30 0.20 1 13 5 5 SER N N 115.69 0.20 1 14 6 6 ALA H H 8.24 0.02 1 15 6 6 ALA CA C 50.60 0.20 1 16 6 6 ALA CB C 18.02 0.20 1 17 6 6 ALA N N 125.86 0.20 1 18 7 7 PRO CA C 62.58 0.20 1 19 7 7 PRO CB C 31.69 0.20 1 20 8 8 ASP H H 9.05 0.02 1 21 8 8 ASP CA C 53.12 0.20 1 22 8 8 ASP CB C 39.54 0.20 1 23 8 8 ASP N N 116.20 0.20 1 24 9 9 ALA H H 7.90 0.02 1 25 9 9 ALA CA C 50.06 0.20 1 26 9 9 ALA CB C 17.72 0.20 1 27 9 9 ALA N N 119.98 0.20 1 28 11 11 PRO CA C 62.71 0.20 1 29 11 11 PRO CB C 31.95 0.20 1 30 12 12 ASP H H 8.78 0.02 1 31 12 12 ASP CA C 54.76 0.20 1 32 12 12 ASP CB C 44.13 0.20 1 33 12 12 ASP N N 129.77 0.20 1 34 13 13 PRO CA C 63.34 0.20 1 35 13 13 PRO CB C 31.31 0.20 1 36 14 14 THR H H 9.39 0.02 1 37 14 14 THR CA C 61.21 0.20 1 38 14 14 THR CB C 72.44 0.20 1 39 14 14 THR N N 117.92 0.20 1 40 15 15 VAL H H 8.61 0.02 1 41 15 15 VAL CA C 62.62 0.20 1 42 15 15 VAL N N 124.54 0.20 1 43 16 16 ASP H H 8.55 0.02 1 44 16 16 ASP CA C 55.57 0.20 1 45 16 16 ASP CB C 42.28 0.20 1 46 16 16 ASP N N 122.85 0.20 1 47 18 18 VAL CA C 62.84 0.20 1 48 18 18 VAL CB C 32.51 0.20 1 49 19 19 ASP H H 8.44 0.02 1 50 19 19 ASP CA C 54.06 0.20 1 51 19 19 ASP CB C 41.17 0.20 1 52 19 19 ASP N N 117.36 0.20 1 53 21 21 THR CA C 59.47 0.20 1 54 21 21 THR CB C 71.56 0.20 1 55 22 22 SER H H 7.70 0.02 1 56 22 22 SER CA C 57.45 0.20 1 57 22 22 SER CB C 67.17 0.20 1 58 22 22 SER N N 116.21 0.20 1 59 23 23 ILE H H 8.13 0.02 1 60 23 23 ILE CA C 60.97 0.20 1 61 23 23 ILE CB C 44.64 0.20 1 62 23 23 ILE N N 118.67 0.20 1 63 24 24 VAL H H 8.64 0.02 1 64 24 24 VAL CA C 61.25 0.20 1 65 24 24 VAL CB C 33.58 0.20 1 66 24 24 VAL N N 126.62 0.20 1 67 25 25 VAL H H 8.65 0.02 1 68 25 25 VAL CA C 60.20 0.20 1 69 25 25 VAL CB C 34.67 0.20 1 70 25 25 VAL N N 127.72 0.20 1 71 26 26 ARG H H 9.06 0.02 1 72 26 26 ARG CA C 54.64 0.20 1 73 26 26 ARG CB C 34.00 0.20 1 74 26 26 ARG N N 124.07 0.20 1 75 27 27 TRP H H 7.49 0.02 1 76 27 27 TRP HE1 H 6.38 0.02 1 77 27 27 TRP CA C 57.38 0.20 1 78 27 27 TRP CB C 30.03 0.20 1 79 27 27 TRP N N 116.38 0.20 1 80 27 27 TRP NE1 N 122.98 0.20 1 81 28 28 SER H H 8.95 0.02 1 82 28 28 SER CA C 57.53 0.20 1 83 28 28 SER CB C 64.02 0.20 1 84 28 28 SER N N 116.45 0.20 1 85 29 29 ARG H H 8.29 0.02 1 86 29 29 ARG CA C 55.06 0.20 1 87 29 29 ARG CB C 31.21 0.20 1 88 29 29 ARG N N 122.05 0.20 1 89 30 30 PRO CA C 62.69 0.20 1 90 30 30 PRO CB C 32.72 0.20 1 91 31 31 GLN H H 10.31 0.02 1 92 31 31 GLN CA C 57.38 0.20 1 93 31 31 GLN CB C 29.33 0.20 1 94 31 31 GLN N N 122.54 0.20 1 95 32 32 ALA H H 8.76 0.02 1 96 32 32 ALA CA C 50.61 0.20 1 97 32 32 ALA CB C 18.89 0.20 1 98 32 32 ALA N N 123.73 0.20 1 99 33 33 PRO CA C 62.83 0.20 1 100 33 33 PRO CB C 29.79 0.20 1 101 34 34 ILE H H 7.88 0.02 1 102 34 34 ILE CA C 60.82 0.20 1 103 34 34 ILE CB C 41.41 0.20 1 104 34 34 ILE N N 114.90 0.20 1 105 35 35 THR H H 9.73 0.02 1 106 35 35 THR CA C 61.69 0.20 1 107 35 35 THR CB C 69.86 0.20 1 108 35 35 THR N N 109.20 0.20 1 109 36 36 GLY H H 7.61 0.02 1 110 36 36 GLY CA C 45.48 0.20 1 111 36 36 GLY N N 109.25 0.20 1 112 37 37 TYR H H 8.47 0.02 1 113 37 37 TYR CA C 56.78 0.20 1 114 37 37 TYR CB C 43.12 0.20 1 115 37 37 TYR N N 113.78 0.20 1 116 38 38 ARG H H 9.13 0.02 1 117 38 38 ARG CA C 55.52 0.20 1 118 38 38 ARG CB C 34.46 0.20 1 119 38 38 ARG N N 125.03 0.20 1 120 39 39 ILE H H 9.22 0.02 1 121 39 39 ILE CA C 58.60 0.20 1 122 39 39 ILE CB C 40.10 0.20 1 123 39 39 ILE N N 127.04 0.20 1 124 40 40 VAL H H 9.34 0.02 1 125 40 40 VAL CA C 60.43 0.20 1 126 40 40 VAL CB C 34.93 0.20 1 127 40 40 VAL N N 126.80 0.20 1 128 41 41 TYR H H 9.23 0.02 1 129 41 41 TYR CA C 55.21 0.20 1 130 41 41 TYR CB C 43.14 0.20 1 131 41 41 TYR N N 122.87 0.20 1 132 42 42 SER H H 8.78 0.02 1 133 42 42 SER CA C 55.56 0.20 1 134 42 42 SER CB C 65.54 0.20 1 135 42 42 SER N N 114.40 0.20 1 136 43 43 PRO CA C 62.69 0.20 1 137 43 43 PRO CB C 31.82 0.20 1 138 44 44 SER H H 8.60 0.02 1 139 44 44 SER CA C 60.65 0.20 1 140 44 44 SER CB C 63.37 0.20 1 141 44 44 SER N N 118.40 0.20 1 142 45 45 VAL H H 7.58 0.02 1 143 45 45 VAL CA C 62.74 0.20 1 144 45 45 VAL CB C 32.60 0.20 1 145 45 45 VAL N N 117.16 0.20 1 146 46 46 GLU H H 8.12 0.02 1 147 46 46 GLU CA C 57.12 0.20 1 148 46 46 GLU CB C 29.95 0.20 1 149 46 46 GLU N N 119.50 0.20 1 150 47 47 GLY H H 8.10 0.02 1 151 47 47 GLY CA C 45.35 0.20 1 152 47 47 GLY N N 108.13 0.20 1 153 48 48 SER H H 8.22 0.02 1 154 48 48 SER CA C 57.99 0.20 1 155 48 48 SER CB C 64.34 0.20 1 156 48 48 SER N N 115.81 0.20 1 157 49 49 SER H H 8.50 0.02 1 158 49 49 SER CA C 58.12 0.20 1 159 49 49 SER CB C 64.87 0.20 1 160 49 49 SER N N 118.01 0.20 1 161 50 50 THR H H 8.35 0.02 1 162 50 50 THR CA C 62.65 0.20 1 163 50 50 THR CB C 70.75 0.20 1 164 50 50 THR N N 121.09 0.20 1 165 51 51 GLU H H 8.41 0.02 1 166 51 51 GLU CA C 54.29 0.20 1 167 51 51 GLU CB C 33.37 0.20 1 168 51 51 GLU N N 125.14 0.20 1 169 52 52 LEU H H 9.71 0.02 1 170 52 52 LEU CA C 54.02 0.20 1 171 52 52 LEU CB C 45.55 0.20 1 172 52 52 LEU N N 125.59 0.20 1 173 53 53 ASN H H 8.69 0.02 1 174 53 53 ASN CA C 53.23 0.20 1 175 53 53 ASN CB C 41.31 0.20 1 176 53 53 ASN N N 120.64 0.20 1 177 54 54 LEU H H 9.05 0.02 1 178 54 54 LEU CA C 51.96 0.20 1 179 54 54 LEU CB C 44.70 0.20 1 180 54 54 LEU N N 123.57 0.20 1 181 55 55 PRO CA C 62.46 0.20 1 182 55 55 PRO CB C 33.61 0.20 1 183 56 56 GLU H H 8.87 0.02 1 184 56 56 GLU CA C 58.70 0.20 1 185 56 56 GLU CB C 28.71 0.20 1 186 56 56 GLU N N 117.49 0.20 1 187 57 57 THR H H 7.05 0.02 1 188 57 57 THR CA C 61.44 0.20 1 189 57 57 THR CB C 69.26 0.20 1 190 57 57 THR N N 106.17 0.20 1 191 58 58 ALA H H 7.80 0.02 1 192 58 58 ALA CA C 53.15 0.20 1 193 58 58 ALA CB C 20.95 0.20 1 194 58 58 ALA N N 125.61 0.20 1 195 59 59 ASN H H 8.26 0.02 1 196 59 59 ASN CA C 51.99 0.20 1 197 59 59 ASN CB C 39.47 0.20 1 198 59 59 ASN N N 117.63 0.20 1 199 60 60 SER H H 6.76 0.02 1 200 60 60 SER CA C 56.47 0.20 1 201 60 60 SER CB C 65.45 0.20 1 202 60 60 SER N N 109.83 0.20 1 203 61 61 VAL H H 8.78 0.02 1 204 61 61 VAL CA C 60.67 0.20 1 205 61 61 VAL CB C 34.85 0.20 1 206 61 61 VAL N N 118.00 0.20 1 207 62 62 THR H H 8.33 0.02 1 208 62 62 THR CA C 61.93 0.20 1 209 62 62 THR CB C 69.53 0.20 1 210 62 62 THR N N 123.31 0.20 1 211 63 63 LEU H H 9.21 0.02 1 212 63 63 LEU CA C 53.46 0.20 1 213 63 63 LEU CB C 41.06 0.20 1 214 63 63 LEU N N 129.99 0.20 1 215 64 64 SER H H 8.14 0.02 1 216 64 64 SER CA C 57.15 0.20 1 217 64 64 SER CB C 66.03 0.20 1 218 64 64 SER N N 117.11 0.20 1 219 65 65 ASP H H 8.96 0.02 1 220 65 65 ASP CA C 55.44 0.20 1 221 65 65 ASP CB C 39.43 0.20 1 222 65 65 ASP N N 116.93 0.20 1 223 66 66 LEU H H 8.56 0.02 1 224 66 66 LEU CA C 53.40 0.20 1 225 66 66 LEU CB C 40.72 0.20 1 226 66 66 LEU N N 116.96 0.20 1 227 67 67 GLN H H 8.28 0.02 1 228 67 67 GLN CA C 52.96 0.20 1 229 67 67 GLN CB C 30.43 0.20 1 230 67 67 GLN N N 118.86 0.20 1 231 68 68 PRO CA C 63.27 0.20 1 232 68 68 PRO CB C 33.22 0.20 1 233 69 69 GLY H H 7.61 0.02 1 234 69 69 GLY CA C 46.78 0.20 1 235 69 69 GLY N N 113.29 0.20 1 236 70 70 VAL H H 7.62 0.02 1 237 70 70 VAL CA C 61.63 0.20 1 238 70 70 VAL CB C 34.96 0.20 1 239 70 70 VAL N N 120.69 0.20 1 240 71 71 GLN H H 8.19 0.02 1 241 71 71 GLN CA C 56.22 0.20 1 242 71 71 GLN CB C 30.24 0.20 1 243 71 71 GLN N N 123.79 0.20 1 244 72 72 TYR H H 8.89 0.02 1 245 72 72 TYR CA C 58.95 0.20 1 246 72 72 TYR CB C 40.62 0.20 1 247 72 72 TYR N N 126.95 0.20 1 248 73 73 ASN H H 9.00 0.02 1 249 73 73 ASN CA C 52.64 0.20 1 250 73 73 ASN CB C 40.31 0.20 1 251 73 73 ASN N N 120.41 0.20 1 252 74 74 ILE H H 9.43 0.02 1 253 74 74 ILE CA C 61.18 0.20 1 254 74 74 ILE CB C 40.32 0.20 1 255 74 74 ILE N N 127.64 0.20 1 256 75 75 THR H H 9.51 0.02 1 257 75 75 THR CA C 61.65 0.20 1 258 75 75 THR CB C 70.00 0.20 1 259 75 75 THR N N 124.27 0.20 1 260 76 76 ILE H H 8.96 0.02 1 261 76 76 ILE CA C 60.54 0.20 1 262 76 76 ILE CB C 40.99 0.20 1 263 76 76 ILE N N 125.11 0.20 1 264 77 77 TYR H H 9.11 0.02 1 265 77 77 TYR CA C 56.25 0.20 1 266 77 77 TYR CB C 40.76 0.20 1 267 77 77 TYR N N 122.58 0.20 1 268 78 78 ALA H H 8.75 0.02 1 269 78 78 ALA CA C 51.48 0.20 1 270 78 78 ALA CB C 21.03 0.20 1 271 78 78 ALA N N 124.33 0.20 1 272 79 79 VAL H H 8.28 0.02 1 273 79 79 VAL CA C 60.99 0.20 1 274 79 79 VAL CB C 34.47 0.20 1 275 79 79 VAL N N 120.25 0.20 1 276 80 80 GLU H H 8.86 0.02 1 277 80 80 GLU CA C 55.37 0.20 1 278 80 80 GLU CB C 30.82 0.20 1 279 80 80 GLU N N 126.91 0.20 1 280 81 81 GLU H H 8.95 0.02 1 281 81 81 GLU CA C 59.26 0.20 1 282 81 81 GLU CB C 27.36 0.20 1 283 81 81 GLU N N 125.13 0.20 1 284 82 82 ASN H H 8.36 0.02 1 285 82 82 ASN CA C 53.73 0.20 1 286 82 82 ASN CB C 38.67 0.20 1 287 82 82 ASN N N 118.84 0.20 1 288 83 83 GLN H H 8.04 0.02 1 289 83 83 GLN CA C 55.18 0.20 1 290 83 83 GLN CB C 31.91 0.20 1 291 83 83 GLN N N 119.07 0.20 1 292 84 84 GLU H H 8.49 0.02 1 293 84 84 GLU CA C 54.83 0.20 1 294 84 84 GLU CB C 33.33 0.20 1 295 84 84 GLU N N 120.74 0.20 1 296 85 85 SER H H 8.92 0.02 1 297 85 85 SER CA C 57.97 0.20 1 298 85 85 SER CB C 66.92 0.20 1 299 85 85 SER N N 115.82 0.20 1 300 86 86 THR H H 8.49 0.02 1 301 86 86 THR CA C 61.55 0.20 1 302 86 86 THR CB C 69.14 0.20 1 303 86 86 THR N N 114.56 0.20 1 304 87 87 PRO CA C 62.58 0.20 1 305 87 87 PRO CB C 32.18 0.20 1 306 88 88 VAL H H 8.19 0.02 1 307 88 88 VAL CA C 62.58 0.20 1 308 88 88 VAL CB C 32.22 0.20 1 309 88 88 VAL N N 120.76 0.20 1 310 89 89 VAL H H 8.26 0.02 1 311 89 89 VAL CA C 61.39 0.20 1 312 89 89 VAL CB C 33.78 0.20 1 313 89 89 VAL N N 125.61 0.20 1 314 90 90 ILE H H 9.47 0.02 1 315 90 90 ILE CA C 59.74 0.20 1 316 90 90 ILE CB C 41.90 0.20 1 317 90 90 ILE N N 128.25 0.20 1 318 91 91 GLN H H 8.48 0.02 1 319 91 91 GLN CA C 54.38 0.20 1 320 91 91 GLN CB C 31.51 0.20 1 321 91 91 GLN N N 123.65 0.20 1 322 92 92 GLN H H 8.86 0.02 1 323 92 92 GLN CA C 54.80 0.20 1 324 92 92 GLN CB C 32.15 0.20 1 325 92 92 GLN N N 123.59 0.20 1 326 93 93 GLU H H 8.88 0.02 1 327 93 93 GLU CA C 54.74 0.20 1 328 93 93 GLU CB C 31.00 0.20 1 329 93 93 GLU N N 128.79 0.20 1 330 94 94 THR H H 8.67 0.02 1 331 94 94 THR CA C 61.21 0.20 1 332 94 94 THR CB C 69.57 0.20 1 333 94 94 THR N N 115.90 0.20 1 334 95 95 THR CA C 62.60 0.20 1 335 95 95 THR CB C 69.39 0.20 1 336 96 96 GLY H H 7.68 0.02 1 337 96 96 GLY CA C 46.35 0.20 1 338 96 96 GLY N N 110.66 0.20 1 stop_ save_