data_26902 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of the N-terminal domain of the phosphoprotein of Respiratory Syncytial Virus ; _BMRB_accession_number 26902 _BMRB_flat_file_name bmr26902.str _Entry_type original _Submission_date 2016-09-22 _Accession_date 2016-09-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shift assignment of the N-terminal domain of the phosphoprotein of human Respiratory Syncytial Virus.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lassoued Safa . . 2 Pereira Nelson . . 3 Fix Jenna . . 4 Galloux Marie . . 5 Eleouet Jean-Francois . . 6 Sizun Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 234 "13C chemical shifts" 311 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26903 P_delta[122-160] 26904 P1-163_tetramer 26905 P-S23C_tetramer 26906 P-CTD stop_ _Original_release_date 2016-09-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; New Insights into Structural Disorder in Human Respiratory Syncytial Virus Phosphoprotein and Implications for Binding of Protein Partners ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28031463 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pereira Nelson . . 2 Cardone Christophe . . 3 Lassoued Safa . . 4 Galloux Marie . . 5 Fix Jenna . . 6 Assrir Nadine . . 7 Lescop Ewen . . 8 Bontems Francois . . 9 Eleouet Jean-Francois . . 10 Sizun Christina . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 292 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2120 _Page_last 2131 _Year 2017 _Details . loop_ _Keyword 'Intrinsically Disordered Protein' Phosphoprotein 'RNA Polymerase' 'Respiratory Syncytial Virus' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name P1-126 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P1-126 $P1-126 stop_ _System_molecular_weight 14476.6662 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_P1-126 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P1-126 _Molecular_mass 14476.6662 _Mol_thiol_state 'not present' loop_ _Biological_function 'co-factor of hRSV RNA dependent RNA polymerase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSMEKFAPEFHGEDANNRAT KFLESIKGKFTSPKDPKKKD SIISVNSIDIEVTKESPITS NSTIINPTNETDDNAGNKPN YQRKPLVSFKEDPIPSDNPF SKLYKETIETFDNNEEESSY SYEEINDQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 MET 4 2 GLU 5 3 LYS 6 4 PHE 7 5 ALA 8 6 PRO 9 7 GLU 10 8 PHE 11 9 HIS 12 10 GLY 13 11 GLU 14 12 ASP 15 13 ALA 16 14 ASN 17 15 ASN 18 16 ARG 19 17 ALA 20 18 THR 21 19 LYS 22 20 PHE 23 21 LEU 24 22 GLU 25 23 SER 26 24 ILE 27 25 LYS 28 26 GLY 29 27 LYS 30 28 PHE 31 29 THR 32 30 SER 33 31 PRO 34 32 LYS 35 33 ASP 36 34 PRO 37 35 LYS 38 36 LYS 39 37 LYS 40 38 ASP 41 39 SER 42 40 ILE 43 41 ILE 44 42 SER 45 43 VAL 46 44 ASN 47 45 SER 48 46 ILE 49 47 ASP 50 48 ILE 51 49 GLU 52 50 VAL 53 51 THR 54 52 LYS 55 53 GLU 56 54 SER 57 55 PRO 58 56 ILE 59 57 THR 60 58 SER 61 59 ASN 62 60 SER 63 61 THR 64 62 ILE 65 63 ILE 66 64 ASN 67 65 PRO 68 66 THR 69 67 ASN 70 68 GLU 71 69 THR 72 70 ASP 73 71 ASP 74 72 ASN 75 73 ALA 76 74 GLY 77 75 ASN 78 76 LYS 79 77 PRO 80 78 ASN 81 79 TYR 82 80 GLN 83 81 ARG 84 82 LYS 85 83 PRO 86 84 LEU 87 85 VAL 88 86 SER 89 87 PHE 90 88 LYS 91 89 GLU 92 90 ASP 93 91 PRO 94 92 ILE 95 93 PRO 96 94 SER 97 95 ASP 98 96 ASN 99 97 PRO 100 98 PHE 101 99 SER 102 100 LYS 103 101 LEU 104 102 TYR 105 103 LYS 106 104 GLU 107 105 THR 108 106 ILE 109 107 GLU 110 108 THR 111 109 PHE 112 110 ASP 113 111 ASN 114 112 ASN 115 113 GLU 116 114 GLU 117 115 GLU 118 116 SER 119 117 SER 120 118 TYR 121 119 SER 122 120 TYR 123 121 GLU 124 122 GLU 125 123 ILE 126 124 ASN 127 125 ASP 128 126 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniProt P12579 P12579 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $P1-126 'human RSV' 11250 Viruses . Orthopneumovirus HRSV Long 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 $P1-126 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pGEX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_P1-126 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $P1-126 0.05 mM '[U-13C; U-15N]' 'sodium phosphate' 20.00 mM 'natural abundance' 'sodium chloride' 100.00 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' collection 'data analysis' 'peak picking' processing stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_P1-126 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_P1-126 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_P1-126 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_P1-126 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_P1-126 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_P1-126 save_ ####################### # Sample conditions # ####################### save_CondSet1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.100 0.01 M pH 6.500 0.10 pH pressure 1.000 0.01 atm temperature 288.000 0.20 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HNHA' stop_ loop_ _Sample_label $sample_P1-126 stop_ _Sample_conditions_label $CondSet1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name P1-126 _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 0 2 SER C C 174.52 0.20 1 2 0 2 SER CA C 58.31 0.20 1 3 1 3 MET H H 8.68 0.01 1 4 1 3 MET C C 176.08 0.20 1 5 1 3 MET CA C 55.35 0.20 1 6 1 3 MET N N 122.14 0.15 1 7 2 4 GLU H H 8.43 0.01 1 8 2 4 GLU HA H 4.22 0.01 1 9 2 4 GLU C C 175.98 0.20 1 10 2 4 GLU CA C 56.60 0.20 1 11 2 4 GLU CB C 29.95 0.20 1 12 2 4 GLU N N 122.20 0.15 1 13 3 5 LYS H H 8.30 0.01 1 14 3 5 LYS HA H 4.21 0.01 1 15 3 5 LYS C C 175.77 0.20 1 16 3 5 LYS CA C 55.97 0.20 1 17 3 5 LYS CB C 32.52 0.20 1 18 3 5 LYS N N 121.89 0.15 1 19 4 6 PHE H H 8.25 0.01 1 20 4 6 PHE HA H 4.62 0.01 1 21 4 6 PHE C C 174.68 0.20 1 22 4 6 PHE CA C 57.05 0.20 1 23 4 6 PHE CB C 39.47 0.20 1 24 4 6 PHE N N 121.05 0.15 1 25 5 7 ALA H H 8.26 0.01 1 26 5 7 ALA HA H 4.58 0.01 1 27 5 7 ALA CA C 50.03 0.20 1 28 5 7 ALA CB C 18.24 0.20 1 29 5 7 ALA N N 127.17 0.15 1 30 6 8 PRO C C 176.62 0.20 1 31 6 8 PRO CA C 62.98 0.20 1 32 7 9 GLU H H 8.58 0.01 1 33 7 9 GLU HA H 4.17 0.01 1 34 7 9 GLU C C 175.74 0.20 1 35 7 9 GLU CA C 56.32 0.20 1 36 7 9 GLU CB C 29.86 0.20 1 37 7 9 GLU N N 120.15 0.15 1 38 8 10 PHE H H 8.29 0.01 1 39 8 10 PHE HA H 4.60 0.01 1 40 8 10 PHE CA C 57.40 0.20 1 41 8 10 PHE N N 121.41 0.15 1 42 9 11 HIS H H 8.48 0.01 1 43 9 11 HIS C C 174.57 0.20 1 44 9 11 HIS CA C 55.12 0.20 1 45 9 11 HIS N N 121.92 0.15 1 46 10 12 GLY H H 7.85 0.01 1 47 10 12 GLY HA2 H 3.89 0.01 1 48 10 12 GLY HA3 H 3.89 0.01 1 49 10 12 GLY C C 173.83 0.20 1 50 10 12 GLY CA C 45.09 0.20 1 51 10 12 GLY N N 109.49 0.15 1 52 11 13 GLU H H 8.57 0.01 1 53 11 13 GLU HA H 4.28 0.01 1 54 11 13 GLU C C 176.26 0.20 1 55 11 13 GLU CA C 56.58 0.20 1 56 11 13 GLU CB C 29.76 0.20 1 57 11 13 GLU N N 120.72 0.15 1 58 12 14 ASP H H 8.49 0.01 1 59 12 14 ASP HA H 4.56 0.01 1 60 12 14 ASP C C 176.42 0.20 1 61 12 14 ASP CA C 54.19 0.20 1 62 12 14 ASP CB C 41.02 0.20 1 63 12 14 ASP N N 121.39 0.15 1 64 13 15 ALA H H 8.37 0.01 1 65 13 15 ALA HA H 4.16 0.01 1 66 13 15 ALA C C 178.14 0.20 1 67 13 15 ALA CA C 53.39 0.20 1 68 13 15 ALA CB C 18.80 0.20 1 69 13 15 ALA N N 124.36 0.15 1 70 14 16 ASN H H 8.43 0.01 1 71 14 16 ASN HA H 4.64 0.01 1 72 14 16 ASN HD21 H 7.78 0.01 1 73 14 16 ASN HD22 H 6.99 0.01 1 74 14 16 ASN C C 175.33 0.20 1 75 14 16 ASN CA C 53.66 0.20 1 76 14 16 ASN CB C 38.33 0.20 1 77 14 16 ASN N N 116.23 0.15 1 78 14 16 ASN ND2 N 113.50 0.15 1 79 15 17 ASN H H 8.22 0.01 1 80 15 17 ASN HA H 4.65 0.01 1 81 15 17 ASN HD22 H 7.76 0.01 1 82 15 17 ASN C C 175.42 0.20 1 83 15 17 ASN CA C 53.55 0.20 1 84 15 17 ASN CB C 38.33 0.20 1 85 15 17 ASN N N 118.73 0.15 1 86 15 17 ASN ND2 N 112.83 0.15 1 87 16 18 ARG H H 8.23 0.01 1 88 16 18 ARG HA H 4.23 0.01 1 89 16 18 ARG C C 176.51 0.20 1 90 16 18 ARG CA C 56.78 0.20 1 91 16 18 ARG CB C 30.32 0.20 1 92 16 18 ARG N N 120.66 0.15 1 93 17 19 ALA H H 8.31 0.01 1 94 17 19 ALA HA H 4.33 0.01 1 95 17 19 ALA C C 178.30 0.20 1 96 17 19 ALA CA C 53.02 0.20 1 97 17 19 ALA CB C 18.66 0.20 1 98 17 19 ALA N N 123.70 0.15 1 99 18 20 THR H H 8.09 0.01 1 100 18 20 THR HA H 4.20 0.01 1 101 18 20 THR C C 174.77 0.20 1 102 18 20 THR CA C 62.75 0.20 1 103 18 20 THR CB C 69.38 0.20 1 104 18 20 THR N N 113.35 0.15 1 105 19 21 LYS H H 8.21 0.01 1 106 19 21 LYS HA H 4.23 0.01 1 107 19 21 LYS C C 176.64 0.20 1 108 19 21 LYS CA C 56.82 0.20 1 109 19 21 LYS N N 122.81 0.15 1 110 20 22 PHE H H 8.23 0.01 1 111 20 22 PHE HA H 4.54 0.01 1 112 20 22 PHE C C 176.02 0.20 1 113 20 22 PHE CA C 58.34 0.20 1 114 20 22 PHE CB C 39.20 0.20 1 115 20 22 PHE N N 120.90 0.15 1 116 21 23 LEU H H 8.16 0.01 1 117 21 23 LEU HA H 4.21 0.01 1 118 21 23 LEU C C 177.40 0.20 1 119 21 23 LEU CA C 55.51 0.20 1 120 21 23 LEU CB C 41.92 0.20 1 121 21 23 LEU N N 122.86 0.15 1 122 22 24 GLU H H 8.31 0.01 1 123 22 24 GLU HA H 4.19 0.01 1 124 22 24 GLU C C 176.80 0.20 1 125 22 24 GLU CA C 56.96 0.20 1 126 22 24 GLU CB C 29.79 0.20 1 127 22 24 GLU N N 120.76 0.15 1 128 23 25 SER H H 8.24 0.01 1 129 23 25 SER HA H 4.41 0.01 1 130 23 25 SER C C 174.66 0.20 1 131 23 25 SER CA C 58.66 0.20 1 132 23 25 SER CB C 63.59 0.20 1 133 23 25 SER N N 116.25 0.15 1 134 24 26 ILE H H 7.98 0.01 1 135 24 26 ILE HA H 4.17 0.01 1 136 24 26 ILE C C 176.32 0.20 1 137 24 26 ILE CA C 61.30 0.20 1 138 24 26 ILE N N 121.56 0.15 1 139 25 27 LYS H H 8.26 0.01 1 140 25 27 LYS HA H 4.28 0.01 1 141 25 27 LYS C C 177.00 0.20 1 142 25 27 LYS CA C 56.60 0.20 1 143 25 27 LYS CB C 32.45 0.20 1 144 25 27 LYS N N 124.37 0.15 1 145 26 28 GLY H H 8.38 0.01 1 146 26 28 GLY HA2 H 3.92 0.01 1 147 26 28 GLY HA3 H 3.92 0.01 1 148 26 28 GLY C C 173.62 0.20 1 149 26 28 GLY CA C 44.98 0.20 1 150 26 28 GLY N N 109.61 0.15 1 151 27 29 LYS H H 8.05 0.01 1 152 27 29 LYS HA H 4.27 0.01 1 153 27 29 LYS C C 176.02 0.20 1 154 27 29 LYS CA C 56.01 0.20 1 155 27 29 LYS N N 120.42 0.15 1 156 28 30 PHE H H 8.38 0.01 1 157 28 30 PHE HA H 4.74 0.01 1 158 28 30 PHE C C 175.51 0.20 1 159 28 30 PHE CA C 57.28 0.20 1 160 28 30 PHE N N 121.21 0.15 1 161 29 31 THR H H 8.14 0.01 1 162 29 31 THR HA H 4.33 0.01 1 163 29 31 THR C C 173.55 0.20 1 164 29 31 THR CA C 61.27 0.20 1 165 29 31 THR N N 116.74 0.15 1 166 30 32 SER H H 8.44 0.01 1 167 30 32 SER HA H 4.70 0.01 1 168 30 32 SER N N 119.93 0.15 1 169 31 33 PRO C C 176.56 0.20 1 170 31 33 PRO CA C 63.05 0.20 1 171 32 34 LYS H H 8.40 0.01 1 172 32 34 LYS HA H 4.26 0.01 1 173 32 34 LYS C C 175.94 0.20 1 174 32 34 LYS CA C 55.86 0.20 1 175 32 34 LYS N N 121.22 0.15 1 176 33 35 ASP H H 8.37 0.01 1 177 33 35 ASP HA H 4.86 0.01 1 178 33 35 ASP CA C 51.81 0.20 1 179 33 35 ASP CB C 41.03 0.20 1 180 33 35 ASP N N 122.77 0.15 1 181 34 36 PRO C C 176.97 0.20 1 182 34 36 PRO CA C 63.18 0.20 1 183 35 37 LYS H H 8.44 0.01 1 184 35 37 LYS HA H 4.25 0.01 1 185 35 37 LYS C C 176.63 0.20 1 186 35 37 LYS CA C 56.21 0.20 1 187 35 37 LYS N N 119.93 0.15 1 188 36 38 LYS H H 8.13 0.01 1 189 36 38 LYS HA H 4.30 0.01 1 190 36 38 LYS C C 176.34 0.20 1 191 36 38 LYS CA C 56.01 0.20 1 192 36 38 LYS CB C 32.66 0.20 1 193 36 38 LYS N N 122.28 0.15 1 194 37 39 LYS H H 8.44 0.01 1 195 37 39 LYS HA H 4.30 0.01 1 196 37 39 LYS CA C 56.25 0.20 1 197 37 39 LYS N N 123.36 0.15 1 198 38 40 ASP H H 8.44 0.01 1 199 38 40 ASP C C 175.96 0.20 1 200 38 40 ASP CA C 54.25 0.20 1 201 38 40 ASP N N 121.51 0.15 1 202 39 41 SER H H 8.27 0.01 1 203 39 41 SER HA H 4.46 0.01 1 204 39 41 SER C C 175.34 0.20 1 205 39 41 SER CA C 58.09 0.20 1 206 39 41 SER CB C 63.72 0.20 1 207 39 41 SER N N 115.76 0.15 1 208 40 42 ILE H H 8.24 0.01 1 209 40 42 ILE C C 176.00 0.20 1 210 40 42 ILE CA C 60.99 0.20 1 211 40 42 ILE CB C 38.55 0.20 1 212 40 42 ILE N N 122.61 0.15 1 213 41 43 ILE H H 8.31 0.01 1 214 41 43 ILE HA H 4.21 0.01 1 215 41 43 ILE C C 175.89 0.20 1 216 41 43 ILE CA C 60.76 0.20 1 217 41 43 ILE CB C 38.38 0.20 1 218 41 43 ILE N N 125.26 0.15 1 219 42 44 SER H H 8.47 0.01 1 220 42 44 SER HA H 4.53 0.01 1 221 42 44 SER C C 174.28 0.20 1 222 42 44 SER CA C 57.76 0.20 1 223 42 44 SER CB C 63.65 0.20 1 224 42 44 SER N N 120.75 0.15 1 225 43 45 VAL H H 8.32 0.01 1 226 43 45 VAL HA H 4.16 0.01 1 227 43 45 VAL C C 175.62 0.20 1 228 43 45 VAL CA C 62.08 0.20 1 229 43 45 VAL N N 122.01 0.15 1 230 44 46 ASN H H 8.56 0.01 1 231 44 46 ASN HA H 4.76 0.01 1 232 44 46 ASN C C 174.93 0.20 1 233 44 46 ASN CA C 52.91 0.20 1 234 44 46 ASN N N 121.91 0.15 1 235 45 47 SER H H 8.34 0.01 1 236 45 47 SER HA H 4.43 0.01 1 237 45 47 SER C C 174.19 0.20 1 238 45 47 SER CA C 58.33 0.20 1 239 45 47 SER CB C 63.44 0.20 1 240 45 47 SER N N 116.55 0.15 1 241 46 48 ILE H H 8.17 0.01 1 242 46 48 ILE HA H 4.22 0.01 1 243 46 48 ILE C C 175.58 0.20 1 244 46 48 ILE CA C 61.07 0.20 1 245 46 48 ILE N N 121.71 0.15 1 246 47 49 ASP H H 8.38 0.01 1 247 47 49 ASP HA H 4.64 0.01 1 248 47 49 ASP C C 175.88 0.20 1 249 47 49 ASP CA C 54.18 0.20 1 250 47 49 ASP CB C 40.86 0.20 1 251 47 49 ASP N N 124.06 0.15 1 252 48 50 ILE H H 8.07 0.01 1 253 48 50 ILE HA H 4.17 0.01 1 254 48 50 ILE C C 175.97 0.20 1 255 48 50 ILE CA C 60.98 0.20 1 256 48 50 ILE CB C 38.66 0.20 1 257 48 50 ILE N N 120.72 0.15 1 258 49 51 GLU H H 8.49 0.01 1 259 49 51 GLU HA H 4.31 0.01 1 260 49 51 GLU C C 176.28 0.20 1 261 49 51 GLU CA C 56.34 0.20 1 262 49 51 GLU CB C 29.97 0.20 1 263 49 51 GLU N N 124.82 0.15 1 264 50 52 VAL H H 8.29 0.01 1 265 50 52 VAL HA H 4.16 0.01 1 266 50 52 VAL C C 176.21 0.20 1 267 50 52 VAL CA C 62.28 0.20 1 268 50 52 VAL CB C 32.61 0.20 1 269 50 52 VAL N N 122.12 0.15 1 270 51 53 THR H H 8.31 0.01 1 271 51 53 THR HA H 4.33 0.01 1 272 51 53 THR C C 174.18 0.20 1 273 51 53 THR CA C 61.80 0.20 1 274 51 53 THR CB C 69.53 0.20 1 275 51 53 THR N N 118.58 0.15 1 276 52 54 LYS H H 8.44 0.01 1 277 52 54 LYS HA H 4.34 0.01 1 278 52 54 LYS C C 176.13 0.20 1 279 52 54 LYS CA C 56.04 0.20 1 280 52 54 LYS CB C 33.04 0.20 1 281 52 54 LYS N N 124.20 0.15 1 282 53 55 GLU H H 8.48 0.01 1 283 53 55 GLU HA H 4.29 0.01 1 284 53 55 GLU C C 176.01 0.20 1 285 53 55 GLU CA C 56.06 0.20 1 286 53 55 GLU CB C 30.15 0.20 1 287 53 55 GLU N N 122.08 0.15 1 288 54 56 SER H H 8.51 0.01 1 289 54 56 SER HA H 4.76 0.01 1 290 54 56 SER CA C 56.15 0.20 1 291 54 56 SER CB C 63.20 0.20 1 292 54 56 SER N N 118.82 0.15 1 293 55 57 PRO C C 176.70 0.20 1 294 55 57 PRO CA C 62.97 0.20 1 295 56 58 ILE H H 8.35 0.01 1 296 56 58 ILE HA H 4.22 0.01 1 297 56 58 ILE C C 176.53 0.20 1 298 56 58 ILE CA C 61.13 0.20 1 299 56 58 ILE CB C 38.20 0.20 1 300 56 58 ILE N N 121.02 0.15 1 301 57 59 THR H H 8.28 0.01 1 302 57 59 THR HA H 4.42 0.01 1 303 57 59 THR C C 174.28 0.20 1 304 57 59 THR CA C 61.32 0.20 1 305 57 59 THR CB C 69.81 0.20 1 306 57 59 THR N N 118.09 0.15 1 307 58 60 SER H H 8.41 0.01 1 308 58 60 SER HA H 4.48 0.01 1 309 58 60 SER CA C 58.05 0.20 1 310 58 60 SER N N 117.94 0.15 1 311 59 61 ASN H H 8.56 0.01 1 312 59 61 ASN HA H 4.22 0.01 1 313 59 61 ASN C C 175.11 0.20 1 314 59 61 ASN CA C 53.03 0.20 1 315 59 61 ASN N N 120.96 0.15 1 316 60 62 SER H H 8.37 0.01 1 317 60 62 SER HA H 4.48 0.01 1 318 60 62 SER C C 174.46 0.20 1 319 60 62 SER CA C 58.37 0.20 1 320 60 62 SER N N 116.08 0.15 1 321 61 63 THR H H 8.27 0.01 1 322 61 63 THR HA H 4.33 0.01 1 323 61 63 THR C C 174.01 0.20 1 324 61 63 THR CA C 62.05 0.20 1 325 61 63 THR CB C 69.58 0.20 1 326 61 63 THR N N 116.62 0.15 1 327 62 64 ILE H H 8.19 0.01 1 328 62 64 ILE HA H 4.16 0.01 1 329 62 64 ILE C C 175.67 0.20 1 330 62 64 ILE CA C 60.85 0.20 1 331 62 64 ILE CB C 38.08 0.20 1 332 62 64 ILE N N 124.06 0.15 1 333 63 65 ILE H H 8.32 0.01 1 334 63 65 ILE HA H 4.16 0.01 1 335 63 65 ILE C C 175.34 0.20 1 336 63 65 ILE CA C 60.43 0.20 1 337 63 65 ILE CB C 38.32 0.20 1 338 63 65 ILE N N 125.93 0.15 1 339 64 66 ASN H H 8.65 0.01 1 340 64 66 ASN HA H 5.00 0.01 1 341 64 66 ASN CA C 51.03 0.20 1 342 64 66 ASN CB C 38.48 0.20 1 343 64 66 ASN N N 124.34 0.15 1 344 65 67 PRO C C 176.91 0.20 1 345 65 67 PRO CA C 63.17 0.20 1 346 66 68 THR H H 8.31 0.01 1 347 66 68 THR HA H 4.34 0.01 1 348 66 68 THR C C 174.09 0.20 1 349 66 68 THR CA C 61.62 0.20 1 350 66 68 THR CB C 69.72 0.20 1 351 66 68 THR N N 113.76 0.15 1 352 67 69 ASN H H 8.48 0.01 1 353 67 69 ASN HA H 4.74 0.01 1 354 67 69 ASN C C 174.96 0.20 1 355 67 69 ASN CA C 53.01 0.20 1 356 67 69 ASN CB C 38.65 0.20 1 357 67 69 ASN N N 120.64 0.15 1 358 68 70 GLU H H 8.53 0.01 1 359 68 70 GLU HA H 4.35 0.01 1 360 68 70 GLU C C 176.46 0.20 1 361 68 70 GLU CA C 56.68 0.20 1 362 68 70 GLU CB C 29.97 0.20 1 363 68 70 GLU N N 121.43 0.15 1 364 69 71 THR H H 8.26 0.01 1 365 69 71 THR HA H 4.35 0.01 1 366 69 71 THR C C 174.11 0.20 1 367 69 71 THR CA C 61.63 0.20 1 368 69 71 THR CB C 69.86 0.20 1 369 69 71 THR N N 114.22 0.15 1 370 70 72 ASP H H 8.38 0.01 1 371 70 72 ASP HA H 4.64 0.01 1 372 70 72 ASP C C 176.05 0.20 1 373 70 72 ASP CA C 54.10 0.20 1 374 70 72 ASP CB C 40.97 0.20 1 375 70 72 ASP N N 122.64 0.15 1 376 71 73 ASP H H 8.44 0.01 1 377 71 73 ASP HA H 4.56 0.01 1 378 71 73 ASP CA C 54.39 0.20 1 379 71 73 ASP CB C 40.84 0.20 1 380 71 73 ASP N N 121.51 0.15 1 381 72 74 ASN H H 8.47 0.01 1 382 72 74 ASN HA H 4.68 0.01 1 383 72 74 ASN C C 175.30 0.20 1 384 72 74 ASN CA C 53.22 0.20 1 385 72 74 ASN CB C 38.66 0.20 1 386 72 74 ASN N N 118.68 0.15 1 387 73 75 ALA H H 8.22 0.01 1 388 73 75 ALA HA H 4.26 0.01 1 389 73 75 ALA C C 178.22 0.20 1 390 73 75 ALA CA C 53.08 0.20 1 391 73 75 ALA CB C 18.57 0.20 1 392 73 75 ALA N N 123.47 0.15 1 393 74 76 GLY H H 8.39 0.01 1 394 74 76 GLY HA2 H 3.90 0.01 1 395 74 76 GLY HA3 H 3.90 0.01 1 396 74 76 GLY C C 173.90 0.20 1 397 74 76 GLY CA C 45.18 0.20 1 398 74 76 GLY N N 106.85 0.15 1 399 75 77 ASN H H 8.19 0.01 1 400 75 77 ASN HA H 4.70 0.01 1 401 75 77 ASN C C 174.74 0.20 1 402 75 77 ASN CA C 52.80 0.20 1 403 75 77 ASN N N 118.11 0.15 1 404 76 78 LYS H H 8.22 0.01 1 405 76 78 LYS HA H 4.58 0.01 1 406 76 78 LYS CA C 54.15 0.20 1 407 76 78 LYS N N 122.17 0.15 1 408 77 79 PRO C C 176.33 0.20 1 409 77 79 PRO CA C 63.05 0.20 1 410 78 80 ASN H H 8.55 0.01 1 411 78 80 ASN HA H 4.61 0.01 1 412 78 80 ASN C C 174.85 0.20 1 413 78 80 ASN CA C 52.84 0.20 1 414 78 80 ASN N N 118.37 0.15 1 415 79 81 TYR H H 8.10 0.01 1 416 79 81 TYR HA H 4.53 0.01 1 417 79 81 TYR C C 175.31 0.20 1 418 79 81 TYR CA C 57.77 0.20 1 419 79 81 TYR CB C 38.40 0.20 1 420 79 81 TYR N N 120.67 0.15 1 421 80 82 GLN H H 8.24 0.01 1 422 80 82 GLN HA H 4.27 0.01 1 423 80 82 GLN C C 175.05 0.20 1 424 80 82 GLN CA C 55.32 0.20 1 425 80 82 GLN N N 122.04 0.15 1 426 81 83 ARG H H 8.28 0.01 1 427 81 83 ARG HA H 4.28 0.01 1 428 81 83 ARG C C 175.77 0.20 1 429 81 83 ARG CA C 55.80 0.20 1 430 81 83 ARG N N 122.69 0.15 1 431 82 84 LYS H H 8.44 0.01 1 432 82 84 LYS HA H 4.57 0.01 1 433 82 84 LYS CA C 53.96 0.20 1 434 82 84 LYS N N 124.34 0.15 1 435 83 85 PRO C C 176.41 0.20 1 436 83 85 PRO CA C 62.71 0.20 1 437 83 85 PRO CB C 31.79 0.20 1 438 84 86 LEU H H 8.43 0.01 1 439 84 86 LEU HA H 4.32 0.01 1 440 84 86 LEU C C 177.17 0.20 1 441 84 86 LEU CA C 55.12 0.20 1 442 84 86 LEU N N 122.74 0.15 1 443 85 87 VAL H H 8.16 0.01 1 444 85 87 VAL HA H 4.15 0.01 1 445 85 87 VAL C C 175.51 0.20 1 446 85 87 VAL CA C 61.74 0.20 1 447 85 87 VAL N N 121.10 0.15 1 448 86 88 SER H H 8.36 0.01 1 449 86 88 SER HA H 4.43 0.01 1 450 86 88 SER C C 173.64 0.20 1 451 86 88 SER CA C 57.66 0.20 1 452 86 88 SER CB C 63.74 0.20 1 453 86 88 SER N N 119.44 0.15 1 454 87 89 PHE H H 8.35 0.01 1 455 87 89 PHE HA H 4.63 0.01 1 456 87 89 PHE C C 175.05 0.20 1 457 87 89 PHE CA C 57.52 0.20 1 458 87 89 PHE N N 122.70 0.15 1 459 88 90 LYS H H 8.22 0.01 1 460 88 90 LYS C C 175.51 0.20 1 461 88 90 LYS CA C 55.85 0.20 1 462 88 90 LYS N N 123.45 0.15 1 463 89 91 GLU H H 8.41 0.01 1 464 89 91 GLU HA H 4.26 0.01 1 465 89 91 GLU C C 175.60 0.20 1 466 89 91 GLU CA C 55.90 0.20 1 467 89 91 GLU N N 122.41 0.15 1 468 90 92 ASP H H 8.48 0.01 1 469 90 92 ASP HA H 4.83 0.01 1 470 90 92 ASP CA C 52.42 0.20 1 471 90 92 ASP CB C 40.35 0.20 1 472 90 92 ASP N N 123.49 0.15 1 473 91 93 PRO C C 176.52 0.20 1 474 91 93 PRO CA C 62.69 0.20 1 475 92 94 ILE H H 8.37 0.01 1 476 92 94 ILE HA H 4.43 0.01 1 477 92 94 ILE CA C 58.49 0.20 1 478 92 94 ILE N N 122.73 0.15 1 479 93 95 PRO C C 176.82 0.20 1 480 93 95 PRO CA C 63.25 0.20 1 481 94 96 SER H H 8.45 0.01 1 482 94 96 SER HA H 4.41 0.01 1 483 94 96 SER C C 174.11 0.20 1 484 94 96 SER CA C 58.22 0.20 1 485 94 96 SER N N 115.69 0.15 1 486 95 97 ASP H H 8.38 0.01 1 487 95 97 ASP HA H 4.63 0.01 1 488 95 97 ASP C C 175.27 0.20 1 489 95 97 ASP CA C 53.88 0.20 1 490 95 97 ASP CB C 40.80 0.20 1 491 95 97 ASP N N 121.81 0.15 1 492 96 98 ASN H H 8.30 0.01 1 493 96 98 ASN HA H 4.95 0.01 1 494 96 98 ASN CA C 50.91 0.20 1 495 96 98 ASN N N 119.38 0.15 1 496 97 99 PRO C C 176.82 0.20 1 497 97 99 PRO CA C 63.54 0.20 1 498 98 100 PHE H H 8.17 0.01 1 499 98 100 PHE HA H 4.60 0.01 1 500 98 100 PHE C C 176.01 0.20 1 501 98 100 PHE CA C 57.60 0.20 1 502 98 100 PHE CB C 38.49 0.20 1 503 98 100 PHE N N 118.13 0.15 1 504 99 101 SER H H 7.95 0.01 1 505 99 101 SER HA H 4.34 0.01 1 506 99 101 SER C C 174.56 0.20 1 507 99 101 SER CA C 58.57 0.20 1 508 99 101 SER CB C 63.53 0.20 1 509 99 101 SER N N 116.02 0.15 1 510 100 102 LYS H H 8.28 0.01 1 511 100 102 LYS C C 176.19 0.20 1 512 100 102 LYS CA C 56.41 0.20 1 513 100 102 LYS N N 122.77 0.15 1 514 101 103 LEU H H 8.07 0.01 1 515 101 103 LEU HA H 4.26 0.01 1 516 101 103 LEU C C 176.82 0.20 1 517 101 103 LEU CA C 55.06 0.20 1 518 101 103 LEU CB C 41.97 0.20 1 519 101 103 LEU N N 121.64 0.15 1 520 102 104 TYR H H 8.09 0.01 1 521 102 104 TYR HA H 4.53 0.01 1 522 102 104 TYR C C 175.31 0.20 1 523 102 104 TYR CA C 57.82 0.20 1 524 102 104 TYR N N 120.73 0.15 1 525 103 105 LYS H H 8.11 0.01 1 526 103 105 LYS HA H 4.25 0.01 1 527 103 105 LYS C C 175.70 0.20 1 528 103 105 LYS CA C 55.81 0.20 1 529 103 105 LYS N N 123.30 0.15 1 530 104 106 GLU H H 8.45 0.01 1 531 104 106 GLU HA H 4.26 0.01 1 532 104 106 GLU C C 176.34 0.20 1 533 104 106 GLU CA C 56.47 0.20 1 534 104 106 GLU N N 122.05 0.15 1 535 105 107 THR H H 8.28 0.01 1 536 105 107 THR HA H 4.33 0.01 1 537 105 107 THR C C 174.00 0.20 1 538 105 107 THR CA C 61.71 0.20 1 539 105 107 THR CB C 69.71 0.20 1 540 105 107 THR N N 116.10 0.15 1 541 106 108 ILE H H 8.25 0.01 1 542 106 108 ILE HA H 4.21 0.01 1 543 106 108 ILE C C 175.79 0.20 1 544 106 108 ILE CA C 60.82 0.20 1 545 106 108 ILE CB C 38.66 0.20 1 546 106 108 ILE N N 123.58 0.15 1 547 107 109 GLU H H 8.53 0.01 1 548 107 109 GLU HA H 4.31 0.01 1 549 107 109 GLU C C 175.87 0.20 1 550 107 109 GLU CA C 56.26 0.20 1 551 107 109 GLU N N 125.38 0.15 1 552 108 110 THR H H 8.14 0.01 1 553 108 110 THR HA H 4.30 0.01 1 554 108 110 THR C C 173.69 0.20 1 555 108 110 THR CA C 61.07 0.20 1 556 108 110 THR CB C 69.78 0.20 1 557 108 110 THR N N 115.13 0.15 1 558 109 111 PHE H H 8.37 0.01 1 559 109 111 PHE HA H 4.66 0.01 1 560 109 111 PHE C C 175.04 0.20 1 561 109 111 PHE CA C 57.23 0.20 1 562 109 111 PHE N N 122.08 0.15 1 563 110 112 ASP H H 8.41 0.01 1 564 110 112 ASP HA H 4.59 0.01 1 565 110 112 ASP C C 175.42 0.20 1 566 110 112 ASP CA C 53.93 0.20 1 567 110 112 ASP N N 121.90 0.15 1 568 111 113 ASN H H 8.42 0.01 1 569 111 113 ASN HA H 4.68 0.01 1 570 111 113 ASN C C 174.78 0.20 1 571 111 113 ASN CA C 53.02 0.20 1 572 111 113 ASN CB C 38.69 0.20 1 573 111 113 ASN N N 119.32 0.15 1 574 112 114 ASN H H 8.55 0.01 1 575 112 114 ASN HA H 4.70 0.01 1 576 112 114 ASN HD21 H 7.71 0.01 1 577 112 114 ASN HD22 H 6.99 0.01 1 578 112 114 ASN C C 175.15 0.20 1 579 112 114 ASN CA C 53.31 0.20 1 580 112 114 ASN CB C 38.71 0.20 1 581 112 114 ASN N N 119.32 0.15 1 582 112 114 ASN ND2 N 113.33 0.15 1 583 113 115 GLU H H 8.48 0.01 1 584 113 115 GLU HA H 4.27 0.01 1 585 113 115 GLU C C 176.43 0.20 1 586 113 115 GLU CA C 56.58 0.20 1 587 113 115 GLU CB C 29.94 0.20 1 588 113 115 GLU N N 121.13 0.15 1 589 114 116 GLU H H 8.45 0.01 1 590 114 116 GLU HA H 4.27 0.01 1 591 114 116 GLU C C 176.53 0.20 1 592 114 116 GLU CA C 56.47 0.20 1 593 114 116 GLU CB C 29.95 0.20 1 594 114 116 GLU N N 121.48 0.15 1 595 115 117 GLU H H 8.49 0.01 1 596 115 117 GLU HA H 4.22 0.01 1 597 115 117 GLU C C 176.50 0.20 1 598 115 117 GLU CA C 56.50 0.20 1 599 115 117 GLU N N 122.08 0.15 1 600 116 118 SER H H 8.44 0.01 1 601 116 118 SER HA H 4.46 0.01 1 602 116 118 SER C C 174.36 0.20 1 603 116 118 SER CA C 58.25 0.20 1 604 116 118 SER CB C 63.66 0.20 1 605 116 118 SER N N 116.97 0.15 1 606 117 119 SER H H 8.35 0.01 1 607 117 119 SER HA H 4.44 0.01 1 608 117 119 SER C C 173.80 0.20 1 609 117 119 SER CA C 58.15 0.20 1 610 117 119 SER CB C 63.70 0.20 1 611 117 119 SER N N 117.76 0.15 1 612 118 120 TYR H H 8.17 0.01 1 613 118 120 TYR HA H 4.56 0.01 1 614 118 120 TYR C C 175.31 0.20 1 615 118 120 TYR CA C 57.65 0.20 1 616 118 120 TYR CB C 38.65 0.20 1 617 118 120 TYR N N 122.13 0.15 1 618 119 121 SER H H 8.18 0.01 1 619 119 121 SER HA H 4.41 0.01 1 620 119 121 SER C C 173.51 0.20 1 621 119 121 SER CA C 57.52 0.20 1 622 119 121 SER CB C 63.89 0.20 1 623 119 121 SER N N 117.92 0.15 1 624 120 122 TYR H H 8.23 0.01 1 625 120 122 TYR HA H 4.51 0.01 1 626 120 122 TYR C C 174.06 0.20 1 627 120 122 TYR CA C 57.98 0.20 1 628 120 122 TYR CB C 38.70 0.20 1 629 120 122 TYR N N 122.73 0.15 1 630 121 123 GLU H H 8.24 0.01 1 631 121 123 GLU HA H 4.22 0.01 1 632 121 123 GLU C C 175.60 0.20 1 633 121 123 GLU CA C 56.01 0.20 1 634 121 123 GLU CB C 30.33 0.20 1 635 121 123 GLU N N 122.60 0.15 1 636 122 124 GLU H H 8.38 0.01 1 637 122 124 GLU HA H 4.24 0.01 1 638 122 124 GLU C C 176.09 0.20 1 639 122 124 GLU CA C 56.18 0.20 1 640 122 124 GLU CB C 30.25 0.20 1 641 122 124 GLU N N 122.39 0.15 1 642 123 125 ILE H H 8.28 0.01 1 643 123 125 ILE HA H 4.16 0.01 1 644 123 125 ILE C C 175.72 0.20 1 645 123 125 ILE CA C 60.89 0.20 1 646 123 125 ILE CB C 38.35 0.20 1 647 123 125 ILE N N 122.47 0.15 1 648 124 126 ASN H H 8.58 0.01 1 649 124 126 ASN HA H 4.79 0.01 1 650 124 126 ASN C C 174.50 0.20 1 651 124 126 ASN CA C 52.93 0.20 1 652 124 126 ASN CB C 39.20 0.20 1 653 124 126 ASN N N 123.17 0.15 1 654 125 127 ASP H H 8.40 0.01 1 655 125 127 ASP HA H 4.63 0.01 1 656 125 127 ASP C C 175.04 0.20 1 657 125 127 ASP CA C 54.10 0.20 1 658 125 127 ASP CB C 40.65 0.20 1 659 125 127 ASP N N 121.62 0.15 1 660 126 128 GLN H H 7.93 0.01 1 661 126 128 GLN HA H 4.15 0.01 1 662 126 128 GLN CA C 57.06 0.20 1 663 126 128 GLN CB C 30.19 0.20 1 664 126 128 GLN N N 124.63 0.15 1 stop_ save_