data_15758 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone chemical shift assignments of the 4FNI-5FNI module pair from human fibronectin ; _BMRB_accession_number 15758 _BMRB_flat_file_name bmr15758.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" 98 "13C chemical shifts" 175 "15N chemical shifts" 96 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 4-5F1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $4F15F1 stop_ _System_molecular_weight 10519.6 _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_4F15F1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 4F15F1 _Molecular_mass 10519.6 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Extracellular matrix component' 'Structural protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; AEKCFDHAAGTSYVVGETWE KPYQGWMMVDCTCLGEGSGR ITCTSRNRCNDQDTRTSYRI GDTWSKKDNRGNLLQCICTG NGRGEWKCERHTS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 LYS 4 CYS 5 PHE 6 ASP 7 HIS 8 ALA 9 ALA 10 GLY 11 THR 12 SER 13 TYR 14 VAL 15 VAL 16 GLY 17 GLU 18 THR 19 TRP 20 GLU 21 LYS 22 PRO 23 TYR 24 GLN 25 GLY 26 TRP 27 MET 28 MET 29 VAL 30 ASP 31 CYS 32 THR 33 CYS 34 LEU 35 GLY 36 GLU 37 GLY 38 SER 39 GLY 40 ARG 41 ILE 42 THR 43 CYS 44 THR 45 SER 46 ARG 47 ASN 48 ARG 49 CYS 50 ASN 51 ASP 52 GLN 53 ASP 54 THR 55 ARG 56 THR 57 SER 58 TYR 59 ARG 60 ILE 61 GLY 62 ASP 63 THR 64 TRP 65 SER 66 LYS 67 LYS 68 ASP 69 ASN 70 ARG 71 GLY 72 ASN 73 LEU 74 LEU 75 GLN 76 CYS 77 ILE 78 CYS 79 THR 80 GLY 81 ASN 82 GLY 83 ARG 84 GLY 85 GLU 86 TRP 87 LYS 88 CYS 89 GLU 90 ARG 91 HIS 92 THR 93 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1FBR "Fourth And Fifth Fibronectin Type I Module Pair" 100.00 93 100.00 100.00 4.98e-61 PDB 2RKY "Crystal Structure Of The Fourth And Fifth Fibronectin F1 Modules In Complex With A Fragment Of Staphylococcus Aureus Fnbpa-1" 100.00 93 100.00 100.00 4.98e-61 PDB 2RL0 "Crystal Structure Of The Fourth And Fifth Fibronectin F1 Modules In Complex With A Fragment Of Staphylococcus Aureus Fnbpa-5" 95.70 89 100.00 100.00 7.74e-58 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 $4F15F1 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 $4F15F1 'recombinant technology' . Pichia pastoris . pPIC9K 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 $4F15F1 0.2 mM '[U-98% 13C; U-98% 15N]' D2O 5 % 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DSS 0.1 mM '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 1 1 ALA CA C 51.79 0.20 1 2 1 1 ALA CB C 19.79 0.20 1 3 2 2 GLU H H 8.70 0.02 1 4 2 2 GLU CA C 56.89 0.20 1 5 2 2 GLU CB C 30.63 0.20 1 6 2 2 GLU N N 121.91 0.10 1 7 3 3 LYS H H 8.02 0.02 1 8 3 3 LYS CA C 55.09 0.20 1 9 3 3 LYS CB C 36.58 0.20 1 10 3 3 LYS N N 120.07 0.10 1 11 4 4 CYS H H 9.09 0.02 1 12 4 4 CYS CA C 56.62 0.20 1 13 4 4 CYS CB C 43.32 0.20 1 14 4 4 CYS N N 115.40 0.10 1 15 5 5 PHE H H 9.14 0.02 1 16 5 5 PHE CA C 57.55 0.20 1 17 5 5 PHE CB C 41.40 0.20 1 18 5 5 PHE N N 121.90 0.10 1 19 6 6 ASP H H 8.20 0.02 1 20 6 6 ASP CA C 52.38 0.20 1 21 6 6 ASP CB C 41.47 0.20 1 22 6 6 ASP N N 123.68 0.10 1 23 7 7 HIS H H 8.50 0.02 1 24 7 7 HIS CA C 59.14 0.20 1 25 7 7 HIS CB C 29.98 0.20 1 26 7 7 HIS N N 123.39 0.10 1 27 8 8 ALA H H 8.25 0.02 1 28 8 8 ALA CA C 54.47 0.20 1 29 8 8 ALA CB C 18.45 0.20 1 30 8 8 ALA N N 121.91 0.10 1 31 9 9 ALA H H 7.46 0.02 1 32 9 9 ALA CA C 51.95 0.20 1 33 9 9 ALA CB C 20.53 0.20 1 34 9 9 ALA N N 118.44 0.10 1 35 10 10 GLY H H 8.12 0.02 1 36 10 10 GLY CA C 46.40 0.20 1 37 10 10 GLY N N 107.82 0.10 1 38 11 11 THR H H 7.24 0.02 1 39 11 11 THR CA C 59.90 0.20 1 40 11 11 THR CB C 71.24 0.20 1 41 11 11 THR N N 110.91 0.10 1 42 12 12 SER H H 7.75 0.02 1 43 12 12 SER CA C 56.45 0.20 1 44 12 12 SER CB C 66.46 0.20 1 45 12 12 SER N N 115.54 0.10 1 46 13 13 TYR H H 8.31 0.02 1 47 13 13 TYR CA C 56.64 0.20 1 48 13 13 TYR CB C 43.66 0.20 1 49 13 13 TYR N N 119.58 0.10 1 50 14 14 VAL H H 8.93 0.02 1 51 14 14 VAL CA C 60.50 0.20 1 52 14 14 VAL CB C 33.66 0.20 1 53 14 14 VAL N N 116.74 0.10 1 54 15 15 VAL H H 7.75 0.02 1 55 15 15 VAL CA C 65.36 0.20 1 56 15 15 VAL CB C 31.57 0.20 1 57 15 15 VAL N N 121.50 0.10 1 58 16 16 GLY H H 9.16 0.02 1 59 16 16 GLY CA C 44.67 0.20 1 60 16 16 GLY N N 115.95 0.10 1 61 17 17 GLU H H 8.44 0.02 1 62 17 17 GLU CA C 57.94 0.20 1 63 17 17 GLU CB C 31.36 0.20 1 64 17 17 GLU N N 122.78 0.10 1 65 18 18 THR H H 8.27 0.02 1 66 18 18 THR CA C 59.77 0.20 1 67 18 18 THR CB C 72.06 0.20 1 68 18 18 THR N N 114.52 0.10 1 69 19 19 TRP H H 8.58 0.02 1 70 19 19 TRP HE1 H 9.46 0.02 1 71 19 19 TRP CA C 56.93 0.20 1 72 19 19 TRP CB C 31.46 0.20 1 73 19 19 TRP N N 123.68 0.10 1 74 19 19 TRP NE1 N 126.72 0.10 1 75 20 20 GLU H H 8.40 0.02 1 76 20 20 GLU CA C 53.73 0.20 1 77 20 20 GLU CB C 32.44 0.20 1 78 20 20 GLU N N 119.06 0.10 1 79 21 21 LYS H H 8.69 0.02 1 80 21 21 LYS CA C 53.48 0.20 1 81 21 21 LYS CB C 35.88 0.20 1 82 21 21 LYS N N 121.42 0.10 1 83 22 22 PRO CA C 62.67 0.20 1 84 22 22 PRO CB C 32.55 0.20 1 85 23 23 TYR H H 8.49 0.02 1 86 23 23 TYR CA C 56.93 0.20 1 87 23 23 TYR CB C 41.59 0.20 1 88 23 23 TYR N N 123.21 0.10 1 89 24 24 GLN H H 8.12 0.02 1 90 24 24 GLN CA C 56.01 0.20 1 91 24 24 GLN CB C 27.10 0.20 1 92 24 24 GLN N N 120.27 0.10 1 93 25 25 GLY H H 8.49 0.02 1 94 25 25 GLY CA C 47.29 0.20 1 95 25 25 GLY N N 108.77 0.10 1 96 26 26 TRP H H 7.32 0.02 1 97 26 26 TRP HE1 H 10.31 0.02 1 98 26 26 TRP CA C 55.97 0.20 1 99 26 26 TRP CB C 30.32 0.20 1 100 26 26 TRP N N 120.78 0.10 1 101 26 26 TRP NE1 N 129.56 0.10 1 102 27 27 MET H H 7.01 0.02 1 103 27 27 MET CA C 56.18 0.20 1 104 27 27 MET CB C 33.30 0.20 1 105 27 27 MET N N 119.85 0.10 1 106 28 28 MET H H 7.28 0.02 1 107 28 28 MET CA C 53.75 0.20 1 108 28 28 MET CB C 34.28 0.20 1 109 28 28 MET N N 118.33 0.10 1 110 29 29 VAL H H 8.62 0.02 1 111 29 29 VAL CA C 59.11 0.20 1 112 29 29 VAL CB C 34.87 0.20 1 113 29 29 VAL N N 113.40 0.10 1 114 30 30 ASP H H 7.94 0.02 1 115 30 30 ASP CA C 53.95 0.20 1 116 30 30 ASP CB C 43.57 0.20 1 117 30 30 ASP N N 118.36 0.10 1 118 31 31 CYS H H 9.07 0.02 1 119 31 31 CYS CA C 54.83 0.20 1 120 31 31 CYS CB C 45.97 0.20 1 121 31 31 CYS N N 123.76 0.10 1 122 32 32 THR H H 8.44 0.02 1 123 32 32 THR CA C 60.61 0.20 1 124 32 32 THR CB C 71.87 0.20 1 125 32 32 THR N N 114.93 0.10 1 126 33 33 CYS H H 8.07 0.02 1 127 33 33 CYS CA C 53.84 0.20 1 128 33 33 CYS CB C 36.89 0.20 1 129 33 33 CYS N N 123.16 0.10 1 130 34 34 LEU H H 9.16 0.02 1 131 34 34 LEU CA C 55.41 0.20 1 132 34 34 LEU CB C 43.09 0.20 1 133 34 34 LEU N N 131.31 0.10 1 134 35 35 GLY H H 8.53 0.02 1 135 35 35 GLY CA C 47.32 0.20 1 136 35 35 GLY N N 106.23 0.10 1 137 36 36 GLU H H 8.33 0.02 1 138 36 36 GLU CA C 57.25 0.20 1 139 36 36 GLU CB C 27.89 0.20 1 140 36 36 GLU N N 122.59 0.10 1 141 37 37 GLY H H 9.72 0.02 1 142 37 37 GLY CA C 46.05 0.20 1 143 37 37 GLY N N 111.18 0.10 1 144 38 38 SER H H 8.03 0.02 1 145 38 38 SER CA C 57.63 0.20 1 146 38 38 SER CB C 64.42 0.20 1 147 38 38 SER N N 115.14 0.10 1 148 39 39 GLY H H 9.07 0.02 1 149 39 39 GLY CA C 47.23 0.20 1 150 39 39 GLY N N 115.19 0.10 1 151 40 40 ARG H H 8.80 0.02 1 152 40 40 ARG CA C 57.81 0.20 1 153 40 40 ARG CB C 31.59 0.20 1 154 40 40 ARG N N 121.81 0.10 1 155 41 41 ILE H H 8.69 0.02 1 156 41 41 ILE CA C 60.65 0.20 1 157 41 41 ILE CB C 41.64 0.20 1 158 41 41 ILE N N 126.89 0.10 1 159 42 42 THR H H 8.30 0.02 1 160 42 42 THR CA C 59.66 0.20 1 161 42 42 THR CB C 70.81 0.20 1 162 42 42 THR N N 120.12 0.10 1 163 43 43 CYS H H 8.57 0.02 1 164 43 43 CYS CA C 55.21 0.20 1 165 43 43 CYS CB C 48.59 0.20 1 166 43 43 CYS N N 123.68 0.10 1 167 44 44 THR H H 8.88 0.02 1 168 44 44 THR CA C 59.78 0.20 1 169 44 44 THR CB C 70.20 0.20 1 170 44 44 THR N N 115.07 0.10 1 171 45 45 SER CA C 58.09 0.20 1 172 45 45 SER CB C 64.03 0.20 1 173 46 46 ARG H H 8.43 0.02 1 174 46 46 ARG CA C 58.93 0.20 1 175 46 46 ARG CB C 30.89 0.20 1 176 46 46 ARG N N 122.33 0.10 1 177 47 47 ASN H H 8.67 0.02 1 178 47 47 ASN CA C 52.12 0.20 1 179 47 47 ASN CB C 38.85 0.20 1 180 47 47 ASN N N 117.05 0.10 1 181 48 48 ARG H H 7.50 0.02 1 182 48 48 ARG CA C 52.81 0.20 1 183 48 48 ARG CB C 33.01 0.20 1 184 48 48 ARG N N 116.83 0.10 1 185 49 49 CYS H H 8.75 0.02 1 186 49 49 CYS CA C 55.85 0.20 1 187 49 49 CYS CB C 44.92 0.20 1 188 49 49 CYS N N 116.29 0.10 1 189 50 50 ASN H H 9.20 0.02 1 190 50 50 ASN CA C 52.95 0.20 1 191 50 50 ASN CB C 39.22 0.20 1 192 50 50 ASN N N 124.14 0.10 1 193 51 51 ASP H H 7.97 0.02 1 194 51 51 ASP CA C 53.63 0.20 1 195 51 51 ASP CB C 41.72 0.20 1 196 51 51 ASP N N 124.73 0.10 1 197 52 52 GLN H H 8.84 0.02 1 198 52 52 GLN CA C 58.41 0.20 1 199 52 52 GLN CB C 28.44 0.20 1 200 52 52 GLN N N 126.29 0.10 1 201 53 53 ASP H H 8.80 0.02 1 202 53 53 ASP CA C 57.42 0.20 1 203 53 53 ASP CB C 40.94 0.20 1 204 53 53 ASP N N 118.46 0.10 1 205 54 54 THR H H 7.01 0.02 1 206 54 54 THR CA C 60.38 0.20 1 207 54 54 THR CB C 69.49 0.20 1 208 54 54 THR N N 105.54 0.10 1 209 55 55 ARG H H 7.61 0.02 1 210 55 55 ARG CA C 56.33 0.20 1 211 55 55 ARG CB C 27.10 0.20 1 212 55 55 ARG N N 123.01 0.10 1 213 56 56 THR H H 6.61 0.02 1 214 56 56 THR CA C 61.39 0.20 1 215 56 56 THR CB C 72.22 0.20 1 216 56 56 THR N N 111.75 0.10 1 217 57 57 SER H H 8.30 0.02 1 218 57 57 SER CA C 56.00 0.20 1 219 57 57 SER CB C 64.16 0.20 1 220 57 57 SER N N 120.57 0.10 1 221 58 58 TYR H H 8.55 0.02 1 222 58 58 TYR CA C 58.49 0.20 1 223 58 58 TYR CB C 40.29 0.20 1 224 58 58 TYR N N 128.33 0.10 1 225 59 59 ARG H H 9.18 0.02 1 226 59 59 ARG CA C 54.87 0.20 1 227 59 59 ARG CB C 32.03 0.20 1 228 59 59 ARG N N 120.98 0.10 1 229 60 60 ILE H H 8.00 0.02 1 230 60 60 ILE CA C 64.31 0.20 1 231 60 60 ILE CB C 37.45 0.20 1 232 60 60 ILE N N 119.96 0.10 1 233 61 61 GLY H H 9.15 0.02 1 234 61 61 GLY CA C 44.79 0.20 1 235 61 61 GLY N N 116.52 0.10 1 236 62 62 ASP H H 8.50 0.02 1 237 62 62 ASP CA C 55.56 0.20 1 238 62 62 ASP CB C 41.87 0.20 1 239 62 62 ASP N N 121.98 0.10 1 240 63 63 THR H H 8.13 0.02 1 241 63 63 THR CA C 59.06 0.20 1 242 63 63 THR CB C 72.19 0.20 1 243 63 63 THR N N 108.91 0.10 1 244 64 64 TRP H H 8.27 0.02 1 245 64 64 TRP HE1 H 9.76 0.02 1 246 64 64 TRP CA C 57.02 0.20 1 247 64 64 TRP CB C 31.81 0.20 1 248 64 64 TRP N N 121.63 0.10 1 249 64 64 TRP NE1 N 128.51 0.10 1 250 65 65 SER H H 8.37 0.02 1 251 65 65 SER CA C 56.06 0.20 1 252 65 65 SER CB C 66.34 0.20 1 253 65 65 SER N N 114.08 0.10 1 254 66 66 LYS H H 8.42 0.02 1 255 66 66 LYS CA C 55.22 0.20 1 256 66 66 LYS CB C 34.93 0.20 1 257 66 66 LYS N N 117.67 0.10 1 258 67 67 LYS H H 8.42 0.02 1 259 67 67 LYS CA C 54.95 0.20 1 260 67 67 LYS CB C 35.15 0.20 1 261 67 67 LYS N N 119.62 0.10 1 262 68 68 ASP H H 8.53 0.02 1 263 68 68 ASP CA C 52.22 0.20 1 264 68 68 ASP CB C 41.25 0.20 1 265 68 68 ASP N N 121.53 0.10 1 266 69 69 ASN H H 8.45 0.02 1 267 69 69 ASN HD21 H 6.87 0.02 1 268 69 69 ASN HD22 H 7.59 0.02 1 269 69 69 ASN CA C 55.17 0.20 1 270 69 69 ASN CB C 37.48 0.20 1 271 69 69 ASN N N 115.20 0.10 1 272 69 69 ASN ND2 N 111.89 0.10 1 273 70 70 ARG H H 8.21 0.02 1 274 70 70 ARG CA C 55.16 0.20 1 275 70 70 ARG CB C 30.66 0.20 1 276 70 70 ARG N N 119.11 0.10 1 277 71 71 GLY H H 8.00 0.02 1 278 71 71 GLY CA C 45.49 0.20 1 279 71 71 GLY N N 107.75 0.10 1 280 72 72 ASN H H 8.78 0.02 1 281 72 72 ASN CA C 53.27 0.20 1 282 72 72 ASN CB C 38.90 0.20 1 283 72 72 ASN N N 120.13 0.10 1 284 73 73 LEU H H 8.60 0.02 1 285 73 73 LEU CA C 55.58 0.20 1 286 73 73 LEU CB C 42.95 0.20 1 287 73 73 LEU N N 123.25 0.10 1 288 74 74 LEU H H 9.30 0.02 1 289 74 74 LEU CA C 53.33 0.20 1 290 74 74 LEU CB C 45.21 0.20 1 291 74 74 LEU N N 126.18 0.10 1 292 75 75 GLN H H 8.74 0.02 1 293 75 75 GLN CA C 54.68 0.20 1 294 75 75 GLN CB C 30.66 0.20 1 295 75 75 GLN N N 119.86 0.10 1 296 76 76 CYS H H 9.03 0.02 1 297 76 76 CYS CA C 55.20 0.20 1 298 76 76 CYS CB C 46.66 0.20 1 299 76 76 CYS N N 126.36 0.10 1 300 77 77 ILE H H 8.45 0.02 1 301 77 77 ILE CA C 59.04 0.20 1 302 77 77 ILE CB C 42.21 0.20 1 303 77 77 ILE N N 119.10 0.10 1 304 78 78 CYS H H 8.41 0.02 1 305 78 78 CYS CA C 54.68 0.20 1 306 78 78 CYS CB C 38.61 0.20 1 307 78 78 CYS N N 124.27 0.10 1 308 79 79 THR H H 8.77 0.02 1 309 79 79 THR CA C 62.99 0.20 1 310 79 79 THR CB C 68.99 0.20 1 311 79 79 THR N N 124.42 0.10 1 312 80 80 GLY H H 9.38 0.02 1 313 80 80 GLY CA C 47.91 0.20 1 314 80 80 GLY N N 110.70 0.10 1 315 81 81 ASN H H 8.62 0.02 1 316 81 81 ASN HD21 H 6.76 0.02 1 317 81 81 ASN HD22 H 7.72 0.02 1 318 81 81 ASN CA C 54.19 0.20 1 319 81 81 ASN CB C 37.63 0.20 1 320 81 81 ASN N N 124.22 0.10 1 321 81 81 ASN ND2 N 112.50 0.10 1 322 82 82 GLY H H 9.19 0.02 1 323 82 82 GLY CA C 46.06 0.20 1 324 82 82 GLY N N 105.87 0.10 1 325 83 83 ARG H H 7.87 0.02 1 326 83 83 ARG CA C 55.38 0.20 1 327 83 83 ARG CB C 31.49 0.20 1 328 83 83 ARG N N 117.39 0.10 1 329 84 84 GLY H H 8.71 0.02 1 330 84 84 GLY CA C 48.08 0.20 1 331 84 84 GLY N N 113.29 0.10 1 332 85 85 GLU H H 8.54 0.02 1 333 85 85 GLU CA C 57.02 0.20 1 334 85 85 GLU CB C 31.74 0.20 1 335 85 85 GLU N N 118.88 0.10 1 336 86 86 TRP H H 7.98 0.02 1 337 86 86 TRP HE1 H 10.16 0.02 1 338 86 86 TRP CA C 55.87 0.20 1 339 86 86 TRP CB C 34.51 0.20 1 340 86 86 TRP N N 119.60 0.10 1 341 86 86 TRP NE1 N 129.60 0.10 1 342 87 87 LYS H H 8.49 0.02 1 343 87 87 LYS CA C 54.91 0.20 1 344 87 87 LYS CB C 36.00 0.20 1 345 87 87 LYS N N 118.17 0.10 1 346 88 88 CYS H H 8.89 0.02 1 347 88 88 CYS CA C 55.42 0.20 1 348 88 88 CYS CB C 48.88 0.20 1 349 88 88 CYS N N 120.45 0.10 1 350 89 89 GLU H H 8.81 0.02 1 351 89 89 GLU CA C 54.36 0.20 1 352 89 89 GLU CB C 33.66 0.20 1 353 89 89 GLU N N 120.94 0.10 1 354 90 90 ARG H H 8.80 0.02 1 355 90 90 ARG CA C 56.59 0.20 1 356 90 90 ARG CB C 30.70 0.20 1 357 90 90 ARG N N 122.97 0.10 1 358 91 91 HIS H H 8.78 0.02 1 359 91 91 HIS CA C 55.90 0.20 1 360 91 91 HIS CB C 31.05 0.20 1 361 91 91 HIS N N 124.02 0.10 1 362 92 92 THR H H 8.23 0.02 1 363 92 92 THR CA C 61.79 0.20 1 364 92 92 THR CB C 70.10 0.20 1 365 92 92 THR N N 117.57 0.10 1 366 93 93 SER H H 7.94 0.02 1 367 93 93 SER CA C 60.14 0.20 1 368 93 93 SER CB C 64.82 0.20 1 369 93 93 SER N N 123.29 0.10 1 stop_ save_