data_26843 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for NCP15 nucleocapsid ; _BMRB_accession_number 26843 _BMRB_flat_file_name bmr26843.str _Entry_type original _Submission_date 2016-07-04 _Accession_date 2016-07-04 _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 LARUE Valery . . 2 TISNE Carine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 275 "13C chemical shifts" 296 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-18 update BMRB 'update entry citation' 2017-01-19 update author 'update assignments' 2016-08-23 original author 'original release' stop_ _Original_release_date 2016-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title . _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29332151 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Larue Valery . . 2 Catala Marjorie . . 3 Belfetmi Anissa . . 4 Zargarian Loussine . . 5 Mauffret Olivier . . 6 Tisne Carine . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 12 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 139 _Page_last 143 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NCP15 + Zncl2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NCP15 $HIV-1_NCP15_Nucleocapsid ZnCl2 $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_NCP15_Nucleocapsid _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HIV-1_NCP15_Nucleocapsid _Molecular_mass . _Mol_thiol_state 'not reported' loop_ _Biological_function 'C-terminal domain of Pr55Gag' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; IQKGNFRNQRKTVKCFNCGK EGHIAKNCRAPRKKGCWKCG KEGHQMKDCTERQANFLGKI WPSHKGRPGNFLQSRPEPTA PPEESFRFGEETTTPSQKQE PIDKELYPLASLRSLFGSDP SSQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ILE 2 2 GLN 3 3 LYS 4 4 GLY 5 5 ASN 6 6 PHE 7 7 ARG 8 8 ASN 9 9 GLN 10 10 ARG 11 11 LYS 12 12 THR 13 13 VAL 14 14 LYS 15 15 CYS 16 16 PHE 17 17 ASN 18 18 CYS 19 19 GLY 20 20 LYS 21 21 GLU 22 22 GLY 23 23 HIS 24 24 ILE 25 25 ALA 26 26 LYS 27 27 ASN 28 28 CYS 29 29 ARG 30 30 ALA 31 31 PRO 32 32 ARG 33 33 LYS 34 34 LYS 35 35 GLY 36 36 CYS 37 37 TRP 38 38 LYS 39 39 CYS 40 40 GLY 41 41 LYS 42 42 GLU 43 43 GLY 44 44 HIS 45 45 GLN 46 46 MET 47 47 LYS 48 48 ASP 49 49 CYS 50 50 THR 51 51 GLU 52 52 ARG 53 53 GLN 54 54 ALA 55 55 ASN 56 56 PHE 57 57 LEU 58 58 GLY 59 59 LYS 60 60 ILE 61 61 TRP 62 62 PRO 63 63 SER 64 64 HIS 65 65 LYS 66 66 GLY 67 67 ARG 68 68 PRO 69 69 GLY 70 70 ASN 71 71 PHE 72 72 LEU 73 73 GLN 74 74 SER 75 75 ARG 76 76 PRO 77 77 GLU 78 78 PRO 79 79 THR 80 80 ALA 81 81 PRO 82 82 PRO 83 83 GLU 84 84 GLU 85 85 SER 86 86 PHE 87 87 ARG 88 88 PHE 89 89 GLY 90 90 GLU 91 91 GLU 92 92 THR 93 93 THR 94 94 THR 95 95 PRO 96 96 SER 97 97 GLN 98 98 LYS 99 99 GLN 100 100 GLU 101 101 PRO 102 102 ILE 103 103 ASP 104 104 LYS 105 105 GLU 106 106 LEU 107 107 TYR 108 108 PRO 109 109 LEU 110 110 ALA 111 111 SER 112 112 LEU 113 113 ARG 114 114 SER 115 115 LEU 116 116 PHE 117 117 GLY 118 118 SER 119 119 ASP 120 120 PRO 121 121 SER 122 122 SER 123 123 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_NCP15_Nucleocapsid HIV 12721 Viruses . Lentivirus HIV 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 $HIV-1_NCP15_Nucleocapsid 'recombinant technology' . Escherichia coli BL21(DE3)star pET3a 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 $HIV-1_NCP15_Nucleocapsid 0.8 mM '[U-100% 13C; U-100% 15N]' 'acetate buffer' 25 mM 'natural abundance' NaCl 25 mM 'natural abundance' $entity_ZN 0.1 mM 'natural abundance' Mercaptoethanol 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _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_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 15N/13C-labeled in a 25 mM deuterated Acetate buffer pH 6.5 in 90% H2O / 10% 2H2O with 25mM NaCl, 0,1mM ZnCl2 and 0,1mM Mercaptoethanol. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25 . mM pH 6.5 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'TSP internal reference' 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 TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449519 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329112 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 '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' 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 NCP15 _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 GLN H H 8.68 0.01 1 2 2 2 GLN N N 125.8 0.2 1 3 3 3 LYS H H 8.71 0.01 1 4 3 3 LYS N N 124.7 0.2 1 5 4 4 GLY H H 8.54 0.01 1 6 4 4 GLY HA2 H 3.89 0.01 1 7 4 4 GLY N N 110.2 0.2 1 8 5 5 ASN H H 8.37 0.01 1 9 5 5 ASN HA H 4.66 0.01 1 10 5 5 ASN HB2 H 2.70 0.01 1 11 5 5 ASN N N 118.6 0.2 1 12 8 8 ASN H H 8.44 0.01 1 13 8 8 ASN N N 119.4 0.2 1 14 9 9 GLN H H 8.39 0.01 1 15 9 9 GLN N N 120.9 0.2 1 16 10 10 ARG H H 8.47 0.01 1 17 10 10 ARG N N 122.8 0.2 1 18 11 11 LYS C C 176.5 0.1 1 19 11 11 LYS CA C 56.00 0.1 1 20 11 11 LYS CB C 32.94 0.1 1 21 12 12 THR H H 8.34 0.01 1 22 12 12 THR HA H 4.35 0.01 1 23 12 12 THR HB H 4.04 0.01 1 24 12 12 THR C C 174.1 0.1 1 25 12 12 THR CA C 61.69 0.1 1 26 12 12 THR CB C 69.75 0.1 1 27 12 12 THR N N 118.0 0.2 1 28 13 13 VAL H H 8.53 0.01 1 29 13 13 VAL HA H 4.15 0.01 1 30 13 13 VAL C C 174.5 0.1 1 31 13 13 VAL CA C 61.40 0.1 1 32 13 13 VAL CB C 32.78 0.1 1 33 13 13 VAL N N 123.5 0.2 1 34 14 14 LYS H H 8.26 0.01 1 35 14 14 LYS HA H 4.42 0.01 1 36 14 14 LYS C C 174.6 0.1 1 37 14 14 LYS CA C 54.75 0.1 1 38 14 14 LYS CB C 35.12 0.1 1 39 14 14 LYS N N 124.9 0.2 1 40 15 15 CYS H H 8.30 0.01 1 41 15 15 CYS HA H 4.56 0.01 1 42 15 15 CYS C C 178.6 0.1 1 43 15 15 CYS CA C 59.28 0.1 1 44 15 15 CYS CB C 29.82 0.1 1 45 15 15 CYS N N 127.1 0.2 1 46 16 16 PHE H H 8.78 0.01 1 47 16 16 PHE HA H 4.56 0.01 1 48 16 16 PHE HB2 H 3.14 0.01 1 49 16 16 PHE C C 175.8 0.1 1 50 16 16 PHE CA C 58.99 0.1 1 51 16 16 PHE CB C 38.46 0.1 1 52 16 16 PHE N N 128.9 0.2 1 53 17 17 ASN H H 9.62 0.01 1 54 17 17 ASN HA H 4.73 0.01 1 55 17 17 ASN HB2 H 3.15 0.01 2 56 17 17 ASN HB3 H 2.54 0.01 2 57 17 17 ASN C C 175.4 0.1 1 58 17 17 ASN CA C 56.71 0.1 1 59 17 17 ASN CB C 39.97 0.1 1 60 17 17 ASN N N 121.7 0.2 1 61 18 18 CYS H H 8.92 0.01 1 62 18 18 CYS C C 176.6 0.1 1 63 18 18 CYS CA C 58.44 0.1 1 64 18 18 CYS CB C 32.07 0.1 1 65 18 18 CYS N N 117.2 0.2 1 66 19 19 GLY H H 7.94 0.01 1 67 19 19 GLY HA2 H 3.98 0.01 2 68 19 19 GLY HA3 H 3.72 0.01 2 69 19 19 GLY C C 173.8 0.1 1 70 19 19 GLY CA C 46.08 0.1 1 71 19 19 GLY N N 113.5 0.2 1 72 20 20 LYS H H 8.15 0.01 1 73 20 20 LYS HA H 4.45 0.01 1 74 20 20 LYS C C 175.7 0.1 1 75 20 20 LYS CA C 56.29 0.1 1 76 20 20 LYS CB C 33.58 0.1 1 77 20 20 LYS N N 120.9 0.2 1 78 21 21 GLU H H 8.50 0.01 1 79 21 21 GLU HA H 4.64 0.01 1 80 21 21 GLU C C 178.7 0.1 1 81 21 21 GLU CA C 55.81 0.1 1 82 21 21 GLU CB C 30.82 0.1 1 83 21 21 GLU N N 118.2 0.2 1 84 22 22 GLY H H 8.71 0.01 1 85 22 22 GLY C C 173.7 0.1 1 86 22 22 GLY CA C 45.66 0.1 1 87 22 22 GLY N N 107.6 0.2 1 88 23 23 HIS H H 7.20 0.01 1 89 23 23 HIS HA H 4.75 0.01 1 90 23 23 HIS C C 171.1 0.1 1 91 23 23 HIS CA C 55.07 0.1 1 92 23 23 HIS CB C 30.14 0.1 1 93 23 23 HIS N N 114.0 0.2 1 94 24 24 ILE H H 7.95 0.01 1 95 24 24 ILE HA H 4.76 0.01 1 96 24 24 ILE C C 178.4 0.1 1 97 24 24 ILE CA C 59.09 0.1 1 98 24 24 ILE CB C 40.71 0.1 1 99 24 24 ILE N N 108.5 0.2 1 100 25 25 ALA H H 8.90 0.01 1 101 25 25 ALA HA H 4.52 0.01 1 102 25 25 ALA HB H 0.94 0.01 1 103 25 25 ALA C C 180.7 0.1 1 104 25 25 ALA CA C 56.00 0.1 1 105 25 25 ALA CB C 18.35 0.1 1 106 25 25 ALA N N 124.9 0.2 1 107 26 26 LYS H H 8.44 0.01 1 108 26 26 LYS HA H 4.37 0.01 1 109 26 26 LYS C C 176.6 0.1 1 110 26 26 LYS CA C 58.73 0.1 1 111 26 26 LYS CB C 32.10 0.1 1 112 26 26 LYS N N 117.6 0.2 1 113 27 27 ASN H H 7.95 0.01 1 114 27 27 ASN HA H 5.03 0.01 1 115 27 27 ASN HB2 H 2.58 0.01 2 116 27 27 ASN HB3 H 3.07 0.01 2 117 27 27 ASN C C 173.9 0.1 1 118 27 27 ASN CA C 51.70 0.1 1 119 27 27 ASN CB C 39.72 0.1 1 120 27 27 ASN N N 114.1 0.2 1 121 28 28 CYS H H 7.74 0.01 1 122 28 28 CYS HA H 3.75 0.01 1 123 28 28 CYS HB2 H 3.02 0.01 2 124 28 28 CYS HB3 H 3.38 0.01 2 125 28 28 CYS C C 176.8 0.1 1 126 28 28 CYS CA C 62.11 0.1 1 127 28 28 CYS CB C 30.75 0.1 1 128 28 28 CYS N N 124.6 0.2 1 129 29 29 ARG H H 8.85 0.01 1 130 29 29 ARG HA H 4.49 0.01 1 131 29 29 ARG C C 175.9 0.1 1 132 29 29 ARG CA C 55.10 0.1 1 133 29 29 ARG CB C 29.92 0.1 1 134 29 29 ARG N N 128.5 0.2 1 135 30 30 ALA H H 8.81 0.01 1 136 30 30 ALA HA H 4.55 0.01 1 137 30 30 ALA HB H 1.33 0.01 1 138 30 30 ALA C C 174.6 0.1 1 139 30 30 ALA CA C 50.80 0.1 1 140 30 30 ALA CB C 17.84 0.1 1 141 30 30 ALA N N 128.3 0.2 1 142 31 31 PRO CA C 62.68 0.1 1 143 31 31 PRO CB C 29.92 0.1 1 144 32 32 ARG H H 8.62 0.01 1 145 32 32 ARG HA H 4.31 0.01 1 146 32 32 ARG C C 177.0 0.1 1 147 32 32 ARG CA C 55.81 0.1 1 148 32 32 ARG CB C 31.59 0.1 1 149 32 32 ARG N N 123.4 0.2 1 150 33 33 LYS H H 8.77 0.01 1 151 33 33 LYS HA H 4.22 0.01 1 152 33 33 LYS C C 176.4 0.1 1 153 33 33 LYS CA C 56.39 0.1 1 154 33 33 LYS CB C 33.13 0.1 1 155 33 33 LYS N N 126.6 0.2 1 156 34 34 LYS H H 8.59 0.01 1 157 34 34 LYS HA H 4.34 0.01 1 158 34 34 LYS C C 176.6 0.1 1 159 34 34 LYS CA C 56.10 0.1 1 160 34 34 LYS CB C 33.16 0.1 1 161 34 34 LYS N N 123.8 0.2 1 162 35 35 GLY H H 8.30 0.01 1 163 35 35 GLY HA2 H 3.92 0.01 2 164 35 35 GLY HA3 H 3.66 0.01 2 165 35 35 GLY C C 172.6 0.1 1 166 35 35 GLY CA C 44.21 0.1 1 167 35 35 GLY N N 109.4 0.2 1 168 36 36 CYS H H 8.19 0.01 1 169 36 36 CYS HA H 4.08 0.01 1 170 36 36 CYS C C 178.8 0.1 1 171 36 36 CYS CA C 59.66 0.1 1 172 36 36 CYS CB C 30.21 0.1 1 173 36 36 CYS N N 124.3 0.2 1 174 37 37 TRP H H 8.57 0.01 1 175 37 37 TRP HA H 4.55 0.01 1 176 37 37 TRP C C 176.4 0.1 1 177 37 37 TRP CA C 58.54 0.1 1 178 37 37 TRP CB C 29.98 0.1 1 179 37 37 TRP N N 129.8 0.2 1 180 38 38 LYS H H 9.37 0.01 1 181 38 38 LYS HA H 4.28 0.01 1 182 38 38 LYS C C 177.1 0.1 1 183 38 38 LYS CA C 58.99 0.1 1 184 38 38 LYS CB C 33.45 0.1 1 185 38 38 LYS N N 122.7 0.2 1 186 39 39 CYS H H 8.57 0.01 1 187 39 39 CYS HA H 4.57 0.01 1 188 39 39 CYS HB2 H 3.27 0.01 2 189 39 39 CYS HB3 H 2.89 0.01 2 190 39 39 CYS C C 176.7 0.1 1 191 39 39 CYS CA C 58.41 0.1 1 192 39 39 CYS CB C 32.42 0.1 1 193 39 39 CYS N N 117.0 0.2 1 194 40 40 GLY H H 8.18 0.01 1 195 40 40 GLY HA2 H 3.83 0.01 1 196 40 40 GLY C C 174.0 0.1 1 197 40 40 GLY CA C 45.98 0.1 1 198 40 40 GLY N N 114.0 0.2 1 199 41 41 LYS H H 8.46 0.01 1 200 41 41 LYS HA H 4.35 0.01 1 201 41 41 LYS C C 176.3 0.1 1 202 41 41 LYS CA C 56.48 0.1 1 203 41 41 LYS CB C 33.48 0.1 1 204 41 41 LYS N N 122.3 0.2 1 205 42 42 GLU H H 8.57 0.01 1 206 42 42 GLU HA H 4.24 0.01 1 207 42 42 GLU HB2 H 1.88 0.01 2 208 42 42 GLU HB3 H 2.07 0.01 2 209 42 42 GLU C C 178.2 0.1 1 210 42 42 GLU CA C 55.87 0.1 1 211 42 42 GLU CB C 30.72 0.1 1 212 42 42 GLU N N 118.8 0.2 1 213 43 43 GLY H H 8.70 0.01 1 214 43 43 GLY HA2 H 3.71 0.01 1 215 43 43 GLY C C 173.6 0.1 1 216 43 43 GLY CA C 45.59 0.1 1 217 43 43 GLY N N 107.2 0.2 1 218 44 44 HIS H H 7.16 0.01 1 219 44 44 HIS HA H 4.79 0.01 1 220 44 44 HIS C C 172.3 0.1 1 221 44 44 HIS CA C 55.26 0.1 1 222 44 44 HIS CB C 30.24 0.1 1 223 44 44 HIS N N 112.9 0.2 1 224 45 45 GLN H H 8.98 0.01 1 225 45 45 GLN HA H 4.59 0.01 1 226 45 45 GLN C C 177.8 0.1 1 227 45 45 GLN CA C 53.82 0.1 1 228 45 45 GLN CB C 32.04 0.1 1 229 45 45 GLN N N 116.8 0.2 1 230 46 46 MET H H 9.03 0.01 1 231 46 46 MET HA H 4.63 0.01 1 232 46 46 MET C C 178.5 0.1 1 233 46 46 MET CA C 60.11 0.1 1 234 46 46 MET CB C 31.27 0.1 1 235 46 46 MET N N 122.2 0.2 1 236 47 47 LYS H H 8.70 0.01 1 237 47 47 LYS HA H 4.16 0.01 1 238 47 47 LYS C C 176.1 0.1 1 239 47 47 LYS CA C 58.54 0.1 1 240 47 47 LYS CB C 31.07 0.1 1 241 47 47 LYS N N 118.9 0.2 1 242 48 48 ASP H H 7.90 0.01 1 243 48 48 ASP HA H 4.89 0.01 1 244 48 48 ASP HB2 H 2.55 0.01 1 245 48 48 ASP C C 175.0 0.1 1 246 48 48 ASP CA C 53.43 0.1 1 247 48 48 ASP CB C 42.35 0.1 1 248 48 48 ASP N N 117.5 0.2 1 249 49 49 CYS H H 7.65 0.01 1 250 49 49 CYS HA H 3.70 0.01 1 251 49 49 CYS HB2 H 2.90 0.01 1 252 49 49 CYS HB3 H 3.12 0.01 1 253 49 49 CYS C C 177.4 0.1 1 254 49 49 CYS CA C 62.72 0.1 1 255 49 49 CYS CB C 31.36 0.1 1 256 49 49 CYS N N 123.9 0.2 1 257 50 50 THR H H 8.33 0.01 1 258 50 50 THR HA H 4.39 0.01 1 259 50 50 THR HB H 4.14 0.01 1 260 50 50 THR C C 175.5 0.1 1 261 50 50 THR CA C 61.34 0.1 1 262 50 50 THR CB C 69.14 0.1 1 263 50 50 THR N N 120.1 0.2 1 264 51 51 GLU H H 8.72 0.01 1 265 51 51 GLU HA H 4.19 0.01 1 266 51 51 GLU HB2 H 1.78 0.01 1 267 51 51 GLU C C 176.8 0.1 1 268 51 51 GLU CA C 56.71 0.1 1 269 51 51 GLU CB C 29.66 0.1 1 270 51 51 GLU N N 125.9 0.2 1 271 52 52 ARG H H 8.53 0.01 1 272 52 52 ARG N N 122.8 0.2 1 273 53 53 GLN CA C 55.84 0.1 1 274 54 54 ALA H H 8.47 0.01 1 275 54 54 ALA HA H 4.23 0.01 1 276 54 54 ALA CA C 52.63 0.1 1 277 54 54 ALA CB C 18.96 0.1 1 278 54 54 ALA N N 125.3 0.2 1 279 55 55 ASN H H 8.39 0.01 1 280 55 55 ASN HA H 4.65 0.01 1 281 55 55 ASN HB2 H 2.71 0.01 1 282 55 55 ASN C C 175.0 0.1 1 283 55 55 ASN CA C 52.85 0.1 1 284 55 55 ASN CB C 39.10 0.1 1 285 55 55 ASN N N 117.3 0.2 1 286 56 56 PHE H H 8.21 0.01 1 287 56 56 PHE HA H 4.55 0.01 1 288 56 56 PHE HB2 H 3.06 0.01 1 289 56 56 PHE C C 174.7 0.1 1 290 56 56 PHE CA C 57.83 0.1 1 291 56 56 PHE CB C 38.85 0.1 1 292 56 56 PHE N N 120.7 0.2 1 293 57 57 LEU H H 8.29 0.01 1 294 57 57 LEU HA H 4.24 0.01 1 295 57 57 LEU HB2 H 1.59 0.01 1 296 57 57 LEU C C 177.6 0.1 1 297 57 57 LEU CA C 55.23 0.1 1 298 57 57 LEU CB C 41.77 0.1 1 299 57 57 LEU N N 123.6 0.2 1 300 58 58 GLY H H 7.98 0.01 1 301 58 58 GLY HA2 H 3.83 0.01 1 302 58 58 GLY C C 173.7 0.1 1 303 58 58 GLY CA C 45.11 0.1 1 304 58 58 GLY N N 108.7 0.2 1 305 59 59 LYS H H 7.99 0.01 1 306 59 59 LYS HA H 4.19 0.01 1 307 59 59 LYS C C 175.9 0.1 1 308 59 59 LYS CA C 56.00 0.1 1 309 59 59 LYS CB C 33.03 0.1 1 310 59 59 LYS N N 120.5 0.2 1 311 60 60 ILE H H 8.11 0.01 1 312 60 60 ILE HA H 4.22 0.01 1 313 60 60 ILE HB H 1.70 0.01 1 314 60 60 ILE C C 175.7 0.1 1 315 60 60 ILE CA C 60.37 0.1 1 316 60 60 ILE CB C 38.43 0.1 1 317 60 60 ILE N N 122.2 0.2 1 318 61 61 TRP H H 8.56 0.01 1 319 61 61 TRP HA H 4.85 0.01 1 320 61 61 TRP HB2 H 3.02 0.01 2 321 61 61 TRP HB3 H 3.28 0.01 2 322 61 61 TRP C C 174.4 0.1 1 323 61 61 TRP CA C 54.59 0.1 1 324 61 61 TRP CB C 28.82 0.1 1 325 61 61 TRP N N 128.0 0.2 1 326 65 65 LYS H H 8.62 0.01 1 327 65 65 LYS HA H 4.32 0.01 1 328 65 65 LYS HB2 H 1.82 0.01 2 329 65 65 LYS HB3 H 1.71 0.01 2 330 65 65 LYS N N 123.9 0.2 1 331 66 66 GLY H H 8.56 0.01 1 332 66 66 GLY HA2 H 3.88 0.01 1 333 66 66 GLY C C 173.6 0.1 1 334 66 66 GLY CA C 44.79 0.1 1 335 66 66 GLY N N 110.5 0.2 1 336 67 67 ARG H H 8.22 0.01 1 337 67 67 ARG HA H 4.55 0.01 1 338 67 67 ARG HB2 H 1.75 0.01 1 339 67 67 ARG C C 174.6 0.1 1 340 67 67 ARG CA C 53.73 0.1 1 341 67 67 ARG CB C 29.95 0.1 1 342 67 67 ARG N N 121.7 0.2 1 343 68 68 PRO C C 177.4 0.1 1 344 69 69 GLY H H 8.51 0.01 1 345 69 69 GLY HA2 H 3.86 0.01 1 346 69 69 GLY C C 174.3 0.1 1 347 69 69 GLY N N 109.2 0.2 1 348 70 70 ASN H H 8.25 0.01 1 349 70 70 ASN HA H 4.65 0.01 1 350 70 70 ASN HB2 H 2.69 0.01 1 351 70 70 ASN C C 175.0 0.1 1 352 70 70 ASN CA C 52.82 0.1 1 353 70 70 ASN N N 118.4 0.2 1 354 71 71 PHE H H 8.20 0.01 1 355 71 71 PHE C C 175.7 0.1 1 356 71 71 PHE CA C 57.83 0.1 1 357 71 71 PHE CB C 39.20 0.1 1 358 71 71 PHE N N 120.6 0.2 1 359 72 72 LEU H H 8.24 0.01 1 360 72 72 LEU HA H 4.31 0.01 1 361 72 72 LEU HB2 H 1.57 0.01 1 362 72 72 LEU C C 175.7 0.1 1 363 72 72 LEU CA C 55.07 0.1 1 364 72 72 LEU CB C 40.20 0.1 1 365 72 72 LEU N N 123.3 0.2 1 366 73 73 GLN H H 8.32 0.01 1 367 73 73 GLN CA C 55.58 0.1 1 368 73 73 GLN CB C 29.18 0.1 1 369 73 73 GLN N N 121.1 0.2 1 370 74 74 SER CA C 58.28 0.1 1 371 74 74 SER CB C 63.49 0.1 1 372 75 75 ARG H H 8.36 0.01 1 373 75 75 ARG HA H 4.61 0.01 1 374 75 75 ARG HB2 H 1.78 0.01 1 375 75 75 ARG CA C 53.66 0.1 1 376 75 75 ARG CB C 30.01 0.1 1 377 75 75 ARG N N 123.6 0.2 1 378 76 76 PRO C C 176.6 0.1 1 379 76 76 PRO CA C 62.84 0.1 1 380 76 76 PRO CB C 31.75 0.1 1 381 77 77 GLU H H 8.56 0.01 1 382 77 77 GLU HA H 4.52 0.01 1 383 77 77 GLU HB2 H 1.87 0.01 2 384 77 77 GLU HB3 H 2.06 0.01 2 385 77 77 GLU C C 175.0 0.1 1 386 77 77 GLU CA C 54.17 0.1 1 387 77 77 GLU CB C 29.37 0.1 1 388 77 77 GLU N N 122.7 0.2 1 389 78 78 PRO C C 177.0 0.1 1 390 78 78 PRO CA C 63.26 0.1 1 391 78 78 PRO CB C 32.04 0.1 1 392 79 79 THR H H 8.25 0.01 1 393 79 79 THR HA H 4.27 0.01 1 394 79 79 THR C C 174.0 0.1 1 395 79 79 THR CA C 61.51 0.1 1 396 79 79 THR CB C 69.67 0.1 1 397 79 79 THR N N 114.0 0.2 1 398 80 80 ALA H H 8.30 0.01 1 399 80 80 ALA HA H 4.54 0.01 1 400 80 80 ALA HB H 1.32 0.01 1 401 80 80 ALA C C 174.9 0.1 1 402 80 80 ALA CA C 50.33 0.1 1 403 80 80 ALA CB C 18.04 0.1 1 404 80 80 ALA N N 127.9 0.2 1 405 82 82 PRO C C 177.2 0.1 1 406 82 82 PRO CA C 63.03 0.1 1 407 82 82 PRO CB C 31.91 0.1 1 408 83 83 GLU H H 8.73 0.01 1 409 83 83 GLU HA H 4.15 0.01 1 410 83 83 GLU C C 176.9 0.1 1 411 83 83 GLU CA C 56.92 0.1 1 412 83 83 GLU CB C 29.92 0.1 1 413 83 83 GLU N N 120.9 0.2 1 414 84 84 GLU H H 8.51 0.01 1 415 84 84 GLU HA H 4.20 0.01 1 416 84 84 GLU HB2 H 1.95 0.01 1 417 84 84 GLU C C 176.5 0.1 1 418 84 84 GLU CA C 56.60 0.1 1 419 84 84 GLU CB C 29.86 0.1 1 420 84 84 GLU N N 121.6 0.2 1 421 85 85 SER H H 8.27 0.01 1 422 85 85 SER HA H 4.43 0.01 1 423 85 85 SER HB2 H 3.78 0.01 1 424 85 85 SER HB3 H 3.78 0.01 1 425 85 85 SER C C 176.3 0.1 1 426 85 85 SER CA C 58.48 0.1 1 427 85 85 SER CB C 63.53 0.1 1 428 85 85 SER N N 116.4 0.2 1 429 86 86 PHE H H 8.19 0.01 1 430 86 86 PHE HA H 4.52 0.01 1 431 86 86 PHE HB2 H 2.98 0.01 1 432 86 86 PHE C C 175.5 0.1 1 433 86 86 PHE CA C 58.12 0.1 1 434 86 86 PHE CB C 39.22 0.1 1 435 86 86 PHE N N 122.0 0.2 1 436 87 87 ARG H H 8.11 0.01 1 437 87 87 ARG HA H 4.22 0.01 1 438 87 87 ARG C C 175.6 0.1 1 439 87 87 ARG CA C 55.60 0.1 1 440 87 87 ARG CB C 30.65 0.1 1 441 87 87 ARG N N 122.9 0.2 1 442 88 88 PHE H H 8.28 0.01 1 443 88 88 PHE HA H 4.50 0.01 1 444 88 88 PHE HB2 H 3.13 0.01 2 445 88 88 PHE HB3 H 3.00 0.01 2 446 88 88 PHE C C 176.4 0.1 1 447 88 88 PHE CA C 58.02 0.1 1 448 88 88 PHE CB C 39.34 0.1 1 449 88 88 PHE N N 121.6 0.2 1 450 89 89 GLY H H 8.45 0.01 1 451 89 89 GLY HA2 H 3.80 0.01 2 452 89 89 GLY HA3 H 3.93 0.01 2 453 89 89 GLY C C 174.1 0.1 1 454 89 89 GLY CA C 45.11 0.1 1 455 89 89 GLY N N 111.2 0.2 1 456 90 90 GLU H H 8.26 0.01 1 457 90 90 GLU HA H 4.28 0.01 1 458 90 90 GLU HB2 H 2.02 0.01 2 459 90 90 GLU HB3 H 1.88 0.01 2 460 90 90 GLU C C 176.6 0.1 1 461 90 90 GLU CA C 56.22 0.1 1 462 90 90 GLU CB C 30.28 0.1 1 463 90 90 GLU N N 120.4 0.2 1 464 91 91 GLU H H 8.72 0.01 1 465 91 91 GLU HB2 H 2.04 0.01 2 466 91 91 GLU HB3 H 1.96 0.01 2 467 91 91 GLU C C 176.8 0.1 1 468 91 91 GLU CA C 56.65 0.1 1 469 91 91 GLU CB C 29.98 0.1 1 470 91 91 GLU N N 122.2 0.2 1 471 92 92 THR H H 8.35 0.01 1 472 92 92 THR HA H 4.42 0.01 1 473 92 92 THR HB H 4.23 0.01 1 474 92 92 THR C C 174.7 0.1 1 475 92 92 THR CA C 61.56 0.1 1 476 92 92 THR CB C 69.75 0.1 1 477 92 92 THR N N 115.5 0.2 1 478 93 93 THR H H 8.26 0.01 1 479 93 93 THR HA H 4.39 0.01 1 480 93 93 THR HB H 3.75 0.01 1 481 93 93 THR C C 174.4 0.1 1 482 93 93 THR CA C 61.53 0.1 1 483 93 93 THR CB C 69.51 0.1 1 484 93 93 THR N N 116.6 0.2 1 485 94 94 THR H H 8.37 0.01 1 486 94 94 THR HA H 4.64 0.01 1 487 94 94 THR HB H 4.18 0.01 1 488 94 94 THR C C 172.9 0.1 1 489 94 94 THR CA C 59.72 0.1 1 490 94 94 THR CB C 69.72 0.1 1 491 94 94 THR N N 119.5 0.2 1 492 95 95 PRO C C 177.1 0.1 1 493 96 96 SER H H 8.53 0.01 1 494 96 96 SER HA H 4.41 0.01 1 495 96 96 SER HB2 H 3.88 0.01 1 496 96 96 SER HB3 H 3.88 0.01 1 497 96 96 SER C C 173.0 0.1 1 498 96 96 SER CA C 58.54 0.1 1 499 96 96 SER CB C 62.20 0.1 1 500 96 96 SER N N 116.4 0.2 1 501 97 97 GLN H H 8.47 0.01 1 502 97 97 GLN HA H 4.32 0.01 1 503 97 97 GLN C C 177.1 0.1 1 504 97 97 GLN CA C 55.94 0.1 1 505 97 97 GLN CB C 29.34 0.1 1 506 97 97 GLN N N 122.4 0.2 1 507 98 98 LYS H H 8.42 0.01 1 508 98 98 LYS HA H 4.26 0.01 1 509 98 98 LYS C C 176.3 0.1 1 510 98 98 LYS CA C 56.29 0.1 1 511 98 98 LYS CB C 32.71 0.1 1 512 98 98 LYS N N 123.1 0.2 1 513 99 99 GLN H H 8.53 0.01 1 514 99 99 GLN HA H 4.33 0.01 1 515 99 99 GLN C C 175.7 0.1 1 516 99 99 GLN CA C 55.20 0.1 1 517 99 99 GLN CB C 29.37 0.1 1 518 99 99 GLN N N 122.5 0.2 1 519 100 100 GLU H H 8.61 0.01 1 520 100 100 GLU HA H 4.55 0.01 1 521 100 100 GLU C C 174.6 0.1 1 522 100 100 GLU CA C 54.24 0.1 1 523 100 100 GLU CB C 30.08 0.1 1 524 100 100 GLU N N 124.6 0.2 1 525 101 101 PRO C C 177.0 0.1 1 526 101 101 PRO CA C 62.97 0.1 1 527 101 101 PRO CB C 31.97 0.1 1 528 102 102 ILE H H 8.32 0.01 1 529 102 102 ILE HA H 4.11 0.01 1 530 102 102 ILE C C 176.0 0.1 1 531 102 102 ILE CA C 61.07 0.1 1 532 102 102 ILE CB C 38.85 0.1 1 533 102 102 ILE N N 120.9 0.2 1 534 103 103 ASP H H 8.44 0.01 1 535 103 103 ASP HA H 4.58 0.01 1 536 103 103 ASP HB2 H 2.75 0.01 2 537 103 103 ASP HB3 H 2.62 0.01 2 538 103 103 ASP C C 176.3 0.1 1 539 103 103 ASP CA C 54.16 0.1 1 540 103 103 ASP CB C 40.87 0.1 1 541 103 103 ASP N N 124.3 0.2 1 542 104 104 LYS H H 8.32 0.01 1 543 104 104 LYS HA H 4.21 0.01 1 544 104 104 LYS C C 176.8 0.1 1 545 104 104 LYS CA C 56.77 0.1 1 546 104 104 LYS CB C 32.62 0.1 1 547 104 104 LYS N N 122.4 0.2 1 548 105 105 GLU H H 8.44 0.01 1 549 105 105 GLU HA H 4.17 0.01 1 550 105 105 GLU HB2 H 1.94 0.01 1 551 105 105 GLU C C 176.4 0.1 1 552 105 105 GLU CA C 56.65 0.1 1 553 105 105 GLU CB C 29.61 0.1 1 554 105 105 GLU N N 120.8 0.2 1 555 106 106 LEU H H 8.03 0.01 1 556 106 106 LEU HA H 4.17 0.01 1 557 106 106 LEU HB2 H 1.45 0.01 1 558 106 106 LEU C C 176.8 0.1 1 559 106 106 LEU CA C 55.08 0.1 1 560 106 106 LEU CB C 42.31 0.1 1 561 106 106 LEU N N 122.1 0.2 1 562 107 107 TYR H H 8.12 0.01 1 563 107 107 TYR HA H 4.84 0.01 1 564 107 107 TYR HB2 H 3.04 0.01 2 565 107 107 TYR HB3 H 2.83 0.01 2 566 107 107 TYR C C 173.8 0.1 1 567 107 107 TYR CA C 55.24 0.1 1 568 107 107 TYR CB C 37.86 0.1 1 569 107 107 TYR N N 120.0 0.2 1 570 108 108 PRO C C 177.3 0.1 1 571 108 108 PRO CA C 63.22 0.1 1 572 108 108 PRO CB C 31.85 0.1 1 573 109 109 LEU H H 8.39 0.01 1 574 109 109 LEU HA H 4.27 0.01 1 575 109 109 LEU C C 177.9 0.1 1 576 109 109 LEU CA C 55.42 0.1 1 577 109 109 LEU CB C 41.89 0.1 1 578 109 109 LEU N N 122.1 0.2 1 579 110 110 ALA H H 8.38 0.01 1 580 110 110 ALA HA H 4.26 0.01 1 581 110 110 ALA HB H 1.41 0.01 1 582 110 110 ALA C C 178.3 0.1 1 583 110 110 ALA CA C 53.09 0.1 1 584 110 110 ALA CB C 18.80 0.1 1 585 110 110 ALA N N 124.0 0.2 1 586 111 111 SER H H 8.20 0.01 1 587 111 111 SER HA H 4.43 0.01 1 588 111 111 SER HB2 H 3.83 0.01 1 589 111 111 SER HB3 H 3.83 0.01 1 590 111 111 SER C C 174.9 0.1 1 591 111 111 SER CA C 58.49 0.1 1 592 111 111 SER CB C 63.37 0.1 1 593 111 111 SER N N 114.1 0.2 1 594 112 112 LEU H H 8.16 0.01 1 595 112 112 LEU HA H 4.32 0.01 1 596 112 112 LEU HB2 H 1.68 0.01 1 597 112 112 LEU C C 176.8 0.1 1 598 112 112 LEU CA C 55.54 0.1 1 599 112 112 LEU CB C 41.92 0.1 1 600 112 112 LEU N N 123.7 0.2 1 601 113 113 ARG H H 8.24 0.01 1 602 113 113 ARG HA H 4.29 0.01 1 603 113 113 ARG C C 175.1 0.1 1 604 113 113 ARG CA C 56.32 0.1 1 605 113 113 ARG CB C 30.13 0.1 1 606 113 113 ARG N N 120.8 0.2 1 607 114 114 SER H H 8.29 0.01 1 608 114 114 SER HA H 4.38 0.01 1 609 114 114 SER HB2 H 3.78 0.01 1 610 114 114 SER HB3 H 3.78 0.01 1 611 114 114 SER C C 174.6 0.1 1 612 114 114 SER CA C 58.16 0.1 1 613 114 114 SER CB C 63.51 0.1 1 614 114 114 SER N N 116.8 0.2 1 615 115 115 LEU H H 8.23 0.01 1 616 115 115 LEU HA H 4.24 0.01 1 617 115 115 LEU HB2 H 1.49 0.01 1 618 115 115 LEU C C 177.4 0.1 1 619 115 115 LEU CA C 55.36 0.1 1 620 115 115 LEU CB C 41.98 0.1 1 621 115 115 LEU N N 123.8 0.2 1 622 116 116 PHE H H 8.22 0.01 1 623 116 116 PHE HA H 4.63 0.01 1 624 116 116 PHE HB2 H 3.21 0.01 2 625 116 116 PHE HB3 H 2.97 0.01 2 626 116 116 PHE C C 176.4 0.1 1 627 116 116 PHE CA C 57.69 0.1 1 628 116 116 PHE CB C 39.40 0.1 1 629 116 116 PHE N N 119.5 0.2 1 630 117 117 GLY H H 8.29 0.01 1 631 117 117 GLY HA2 H 3.92 0.01 1 632 117 117 GLY C C 173.9 0.1 1 633 117 117 GLY CA C 45.12 0.1 1 634 117 117 GLY N N 110.5 0.2 1 635 118 118 SER H H 8.20 0.01 1 636 118 118 SER HA H 4.47 0.01 1 637 118 118 SER HB2 H 3.85 0.01 1 638 118 118 SER HB3 H 3.85 0.01 1 639 118 118 SER C C 173.9 0.1 1 640 118 118 SER CA C 57.94 0.1 1 641 118 118 SER CB C 63.86 0.1 1 642 118 118 SER N N 115.3 0.2 1 643 119 119 ASP H H 8.52 0.01 1 644 119 119 ASP HA H 4.90 0.01 1 645 119 119 ASP HB2 H 2.80 0.01 2 646 119 119 ASP HB3 H 2.57 0.01 2 647 119 119 ASP CA C 52.04 0.1 1 648 119 119 ASP CB C 40.93 0.1 1 649 119 119 ASP N N 123.4 0.2 1 650 120 120 PRO C C 177.3 0.1 1 651 120 120 PRO CA C 63.71 0.1 1 652 120 120 PRO CB C 31.97 0.1 1 653 121 121 SER H H 8.53 0.01 1 654 121 121 SER HA H 4.42 0.01 1 655 121 121 SER HB2 H 3.90 0.01 1 656 121 121 SER HB3 H 3.90 0.01 1 657 121 121 SER CA C 58.83 0.1 1 658 121 121 SER CB C 63.58 0.1 1 659 121 121 SER N N 115.3 0.2 1 660 122 122 SER H H 8.17 0.01 1 661 122 122 SER HA H 4.47 0.01 1 662 122 122 SER HB2 H 3.89 0.01 1 663 122 122 SER HB3 H 3.89 0.01 1 664 122 122 SER C C 173.5 0.1 1 665 122 122 SER CA C 58.18 0.1 1 666 122 122 SER CB C 63.89 0.1 1 667 122 122 SER N N 118.0 0.2 1 668 123 123 GLN H H 7.97 0.01 1 669 123 123 GLN HA H 4.17 0.01 1 670 123 123 GLN HB2 H 2.13 0.01 2 671 123 123 GLN HB3 H 1.90 0.01 2 672 123 123 GLN C C 172.1 0.1 1 673 123 123 GLN CA C 57.20 0.1 1 674 123 123 GLN CB C 30.13 0.1 1 675 123 123 GLN N N 126.9 0.2 1 stop_ save_