data_18715 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidylcholine ; _BMRB_accession_number 18715 _BMRB_flat_file_name bmr18715.str _Entry_type original _Submission_date 2012-09-14 _Accession_date 2012-09-14 _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 Vlach Jiri . . 2 Saad Jamil . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 742 "13C chemical shifts" 434 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18716 'HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidyl-L-serine' stop_ _Original_release_date 2013-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Model for the interaction between HIV-1 Gag and plasma membrane' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vlach Jiri . . 2 Saad Jamil . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MA $MA entity_PC8 $entity_PC8 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_MA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MA _Molecular_mass 14734.753 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GARASVLSGGELDKWEKIRL RPGGKKQYKLKHIVWASREL ERFAVNPGLLETSEGCRQIL GQLQPSLQTGSEELRSLYNT IAVLYCVHQRIDVKDTKEAL DKIEEEQNKSKKKAQQAAAD TGNNSQVSQNY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ALA 3 4 ARG 4 5 ALA 5 6 SER 6 7 VAL 7 8 LEU 8 9 SER 9 10 GLY 10 11 GLY 11 12 GLU 12 13 LEU 13 14 ASP 14 15 LYS 15 16 TRP 16 17 GLU 17 18 LYS 18 19 ILE 19 20 ARG 20 21 LEU 21 22 ARG 22 23 PRO 23 24 GLY 24 25 GLY 25 26 LYS 26 27 LYS 27 28 GLN 28 29 TYR 29 30 LYS 30 31 LEU 31 32 LYS 32 33 HIS 33 34 ILE 34 35 VAL 35 36 TRP 36 37 ALA 37 38 SER 38 39 ARG 39 40 GLU 40 41 LEU 41 42 GLU 42 43 ARG 43 44 PHE 44 45 ALA 45 46 VAL 46 47 ASN 47 48 PRO 48 49 GLY 49 50 LEU 50 51 LEU 51 52 GLU 52 53 THR 53 54 SER 54 55 GLU 55 56 GLY 56 57 CYS 57 58 ARG 58 59 GLN 59 60 ILE 60 61 LEU 61 62 GLY 62 63 GLN 63 64 LEU 64 65 GLN 65 66 PRO 66 67 SER 67 68 LEU 68 69 GLN 69 70 THR 70 71 GLY 71 72 SER 72 73 GLU 73 74 GLU 74 75 LEU 75 76 ARG 76 77 SER 77 78 LEU 78 79 TYR 79 80 ASN 80 81 THR 81 82 ILE 82 83 ALA 83 84 VAL 84 85 LEU 85 86 TYR 86 87 CYS 87 88 VAL 88 89 HIS 89 90 GLN 90 91 ARG 91 92 ILE 92 93 ASP 93 94 VAL 94 95 LYS 95 96 ASP 96 97 THR 97 98 LYS 98 99 GLU 99 100 ALA 100 101 LEU 101 102 ASP 102 103 LYS 103 104 ILE 104 105 GLU 105 106 GLU 106 107 GLU 107 108 GLN 108 109 ASN 109 110 LYS 110 111 SER 111 112 LYS 112 113 LYS 113 114 LYS 114 115 ALA 115 116 GLN 116 117 GLN 117 118 ALA 118 119 ALA 119 120 ALA 120 121 ASP 121 122 THR 122 123 GLY 123 124 ASN 124 125 ASN 125 126 SER 126 127 GLN 127 128 VAL 128 129 SER 129 130 GLN 130 131 ASN 131 132 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 15114 Gag_polyprotein 100.00 131 99.24 99.24 1.26e-88 BMRB 15116 Gag_polyprotein 100.00 131 99.24 99.24 2.06e-88 BMRB 18716 MA 100.00 131 100.00 100.00 1.69e-89 PDB 1HIW "Trimeric Hiv-1 Matrix Protein" 100.00 133 100.00 100.00 1.36e-89 PDB 1L6N "Structure Of The N-Terminal 283-Residue Fragment Of The Hiv- 1 Gag Polyprotein" 100.00 289 100.00 100.00 5.94e-88 PDB 1UPH "Hiv-1 Myristoylated Matrix" 99.24 132 100.00 100.00 2.06e-88 PDB 2GOL "Xray Structure Of Gag278" 100.00 133 100.00 100.00 1.36e-89 PDB 2H3F "Solution Structure Of The Hiv-1 Ma Protein" 99.24 131 100.00 100.00 1.99e-88 PDB 2H3I "Solution Structure Of The Hiv-1 Myristoylated Matrix Protein" 98.47 131 100.00 100.00 1.41e-87 PDB 2H3Q "Solution Structure Of Hiv-1 Myrma Bound To Di-c4-phosphatidylinositol- (4,5)-bisphosphate" 98.47 131 100.00 100.00 1.41e-87 PDB 2H3V "Structure Of The Hiv-1 Matrix Protein Bound To Di-C8- Phosphatidylinositol-(4,5)-Bisphosphate" 99.24 131 100.00 100.00 1.99e-88 PDB 2H3Z "Structure Of The Hiv-1 Matrix Protein Bound To Di-c4- Phosphatidylinositol-(4,5)-bisphosphate" 99.24 131 100.00 100.00 1.99e-88 PDB 2HMX "Human Immunodeficiency Virus Type 1 Matrix Protein" 99.24 133 100.00 100.00 1.57e-88 PDB 2JMG "Solution Structure Of V7r Mutant Of Hiv-1 Myristoylated Matrix Protein" 98.47 131 99.22 99.22 1.77e-86 PDB 2LYA "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidylcholine" 100.00 137 100.00 100.00 1.56e-89 PDB 2LYB "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidyl-l-serine" 100.00 137 100.00 100.00 1.56e-89 PDB 2NV3 "Solution Structure Of L8a Mutant Of Hiv-1 Myristoylated Matrix Protein" 98.47 131 99.22 99.22 1.00e-86 PDB 4JMU "Crystal Structure Of Hiv Matrix Residues 1-111 In Complex With Inhibitor" 83.97 112 100.00 100.00 2.12e-73 DBJ BAF34641 "gag polyprotein [HIV-1 vector pNL-DT5R]" 100.00 498 100.00 100.00 7.11e-85 DBJ BAG48474 "gag protein [Human immunodeficiency virus 1]" 100.00 147 100.00 100.00 1.19e-89 EMBL CBI61180 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 99.24 99.24 1.45e-83 EMBL CBI61181 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 99.24 99.24 2.89e-84 EMBL CBI61182 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 99.24 100.00 2.03e-84 EMBL CBI61183 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 99.24 99.24 3.70e-84 EMBL CBI61184 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 100.00 100.00 5.36e-85 GB AAA44987 "gag polyprotein [Human immunodeficiency virus 1]" 100.00 500 100.00 100.00 7.25e-85 GB AAB00898 "p17 protein, partial [Human immunodeficiency virus 1]" 78.63 117 97.09 99.03 6.73e-64 GB AAB60571 "Gag polyprotein precursor [Human immunodeficiency virus 1]" 100.00 500 100.00 100.00 7.25e-85 GB AAC28445 "gag protein [Human immunodeficiency virus 1]" 100.00 500 97.71 98.47 7.48e-83 GB AAC29216 "Gag [Human immunodeficiency virus 1]" 63.36 83 98.80 100.00 2.01e-52 SP P12493 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 100.00 500 100.00 100.00 7.25e-85 SP P12497 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 100.00 1435 100.00 100.00 7.05e-80 stop_ save_ ############# # Ligands # ############# save_PC8 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE _BMRB_code PC8 _PDB_code PC8 _Molecular_mass 510.622 _Mol_charge 1 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C2 C2 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? H1 H1 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H14 H14 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? H17 H17 H . 0 . ? H18 H18 H . 0 . ? H19 H19 H . 0 . ? H1P H1P H . 0 . ? H2 H2 H . 0 . ? H20 H20 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H23 H23 H . 0 . ? H24 H24 H . 0 . ? H25 H25 H . 0 . ? H26 H26 H . 0 . ? H27 H27 H . 0 . ? H28 H28 H . 0 . ? H29 H29 H . 0 . ? H3 H3 H . 0 . ? H30 H30 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H33 H33 H . 0 . ? H34 H34 H . 0 . ? H35 H35 H . 0 . ? H36 H36 H . 0 . ? H37 H37 H . 0 . ? H38 H38 H . 0 . ? H39 H39 H . 0 . ? H4 H4 H . 0 . ? H40 H40 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H43 H43 H . 0 . ? H44 H44 H . 0 . ? H45 H45 H . 0 . ? H46 H46 H . 0 . ? H47 H47 H . 0 . ? H48 H48 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? N1 N1 N . 1 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? O6 O6 O . 0 . ? O7 O7 O . 0 . ? O8 O8 O . 0 . ? P1 P1 P . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING O1 P1 ? ? SING O1 H1P ? ? DOUB O2 P1 ? ? SING P1 O3 ? ? SING P1 O4 ? ? SING O3 C1 ? ? SING C1 C2 ? ? SING C1 H1 ? ? SING C1 H2 ? ? SING C2 N1 ? ? SING C2 H3 ? ? SING C2 H4 ? ? SING N1 C3 ? ? SING N1 C4 ? ? SING N1 C5 ? ? SING C3 H5 ? ? SING C3 H6 ? ? SING C3 H7 ? ? SING C4 H8 ? ? SING C4 H9 ? ? SING C4 H10 ? ? SING C5 H11 ? ? SING C5 H12 ? ? SING C5 H13 ? ? SING O4 C6 ? ? SING C6 C7 ? ? SING C6 H14 ? ? SING C6 H15 ? ? SING C7 C8 ? ? SING C7 O7 ? ? SING C7 H16 ? ? SING C8 O5 ? ? SING C8 H17 ? ? SING C8 H18 ? ? SING O5 C9 ? ? DOUB C9 O6 ? ? SING C9 C10 ? ? SING C10 C11 ? ? SING C10 H19 ? ? SING C10 H20 ? ? SING C11 C12 ? ? SING C11 H21 ? ? SING C11 H22 ? ? SING C12 C13 ? ? SING C12 H23 ? ? SING C12 H24 ? ? SING C13 C14 ? ? SING C13 H25 ? ? SING C13 H26 ? ? SING C14 C15 ? ? SING C14 H27 ? ? SING C14 H28 ? ? SING C15 C16 ? ? SING C15 H29 ? ? SING C15 H30 ? ? SING C16 H31 ? ? SING C16 H32 ? ? SING C16 H33 ? ? SING O7 C17 ? ? DOUB C17 O8 ? ? SING C17 C18 ? ? SING C18 C19 ? ? SING C18 H34 ? ? SING C18 H35 ? ? SING C19 C20 ? ? SING C19 H36 ? ? SING C19 H37 ? ? SING C20 C21 ? ? SING C20 H38 ? ? SING C20 H39 ? ? SING C21 C22 ? ? SING C21 H40 ? ? SING C21 H41 ? ? SING C22 C23 ? ? SING C22 H42 ? ? SING C22 H43 ? ? SING C23 C24 ? ? SING C23 H44 ? ? SING C23 H45 ? ? SING C24 H46 ? ? SING C24 H47 ? ? SING C24 H48 ? ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MA HIV 12721 Viruses . Lentivirus . 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 $MA 'recombinant technology' . . . . pET-11a $entity_PC8 'obtained from a vendor' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MA 0.4 mM . . '[U-95% 13C]' $entity_PC8 . mM 0.8 1.0 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MA . mM 0.4 1.0 '[U-95% 13C; U-95% 15N]' $entity_PC8 . mM 0.8 1.0 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-edited/13C-filtered_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/13C-filtered NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 308 . K pH 5.5 . pH pressure 1 . atm 'ionic strength' 50 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MA _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 1 GLY HA2 H 3.973 0.000 1 2 2 1 GLY CA C 47.792 0.000 1 3 2 1 GLY N N 110.842 0.000 1 4 3 2 ALA H H 8.183 0.000 1 5 3 2 ALA HA H 4.328 0.000 1 6 3 2 ALA HB H 1.538 0.000 1 7 3 2 ALA CA C 52.537 0.000 1 8 3 2 ALA CB C 17.251 0.000 1 9 3 2 ALA N N 123.842 0.000 1 10 4 3 ARG H H 8.429 0.000 1 11 4 3 ARG HA H 4.256 0.000 1 12 4 3 ARG HB2 H 1.788 0.000 1 13 4 3 ARG HB3 H 1.788 0.000 1 14 4 3 ARG HG2 H 1.664 0.000 1 15 4 3 ARG HG3 H 1.664 0.000 1 16 4 3 ARG HD2 H 3.187 0.000 1 17 4 3 ARG CA C 55.965 0.000 1 18 4 3 ARG CB C 30.961 0.000 1 19 4 3 ARG CG C 27.313 0.000 1 20 4 3 ARG CD C 43.427 0.000 1 21 4 3 ARG N N 120.165 0.000 1 22 5 4 ALA H H 8.370 0.000 1 23 5 4 ALA HA H 4.282 0.000 1 24 5 4 ALA HB H 1.328 0.000 1 25 5 4 ALA CA C 52.371 0.000 1 26 5 4 ALA CB C 19.672 0.000 1 27 5 4 ALA N N 125.165 0.000 1 28 6 5 SER H H 8.134 0.000 1 29 6 5 SER HA H 4.479 0.000 1 30 6 5 SER HB2 H 3.790 0.000 1 31 6 5 SER CA C 57.804 0.000 1 32 6 5 SER CB C 64.034 0.000 1 33 6 5 SER N N 114.540 0.000 1 34 7 6 VAL H H 8.119 0.000 1 35 7 6 VAL HA H 3.617 0.000 1 36 7 6 VAL HB H 1.828 0.000 1 37 7 6 VAL HG1 H 0.818 0.001 1 38 7 6 VAL HG2 H 0.750 0.002 1 39 7 6 VAL CA C 65.711 0.014 1 40 7 6 VAL CB C 31.936 0.001 1 41 7 6 VAL CG1 C 22.364 0.031 1 42 7 6 VAL CG2 C 22.426 0.037 1 43 7 6 VAL N N 121.415 0.000 1 44 8 7 LEU H H 7.382 0.000 1 45 8 7 LEU HA H 4.932 0.005 1 46 8 7 LEU HB2 H 1.460 0.000 1 47 8 7 LEU HB3 H 1.460 0.000 1 48 8 7 LEU HG H 1.063 0.000 1 49 8 7 LEU HD1 H 0.204 0.003 1 50 8 7 LEU HD2 H 0.319 0.003 1 51 8 7 LEU CA C 52.507 0.050 1 52 8 7 LEU CB C 44.303 0.016 1 53 8 7 LEU CG C 26.109 0.000 1 54 8 7 LEU CD1 C 26.293 0.029 1 55 8 7 LEU CD2 C 23.091 0.027 1 56 8 7 LEU N N 115.478 0.000 1 57 9 8 SER H H 9.166 0.000 1 58 9 8 SER HA H 4.606 0.000 1 59 9 8 SER HB2 H 3.980 0.000 1 60 9 8 SER HB3 H 3.980 0.000 1 61 9 8 SER CA C 57.197 0.000 1 62 9 8 SER CB C 65.426 0.000 1 63 9 8 SER N N 118.290 0.000 1 64 10 9 GLY H H 8.959 0.000 1 65 10 9 GLY HA2 H 3.861 0.000 1 66 10 9 GLY HA3 H 3.997 0.000 1 67 10 9 GLY CA C 47.674 0.000 1 68 10 9 GLY N N 109.228 0.000 1 69 11 10 GLY H H 8.782 0.000 1 70 11 10 GLY HA2 H 3.933 0.000 1 71 11 10 GLY HA3 H 4.009 0.000 1 72 11 10 GLY CA C 46.661 0.000 1 73 11 10 GLY N N 111.102 0.000 1 74 12 11 GLU H H 7.751 0.000 1 75 12 11 GLU HA H 3.950 0.000 1 76 12 11 GLU HB2 H 2.276 0.000 1 77 12 11 GLU HB3 H 1.786 0.000 1 78 12 11 GLU HG2 H 2.129 0.000 1 79 12 11 GLU HG3 H 2.582 0.000 1 80 12 11 GLU CA C 59.096 0.000 1 81 12 11 GLU CB C 31.290 0.000 1 82 12 11 GLU CG C 37.323 0.000 1 83 12 11 GLU N N 120.165 0.000 1 84 13 12 LEU H H 8.340 0.000 1 85 13 12 LEU HA H 4.108 0.000 1 86 13 12 LEU HB2 H 1.390 0.000 1 87 13 12 LEU HB3 H 1.390 0.000 1 88 13 12 LEU HG H 1.702 0.000 1 89 13 12 LEU HD1 H 0.960 0.000 1 90 13 12 LEU HD2 H 0.947 0.000 1 91 13 12 LEU CA C 58.062 0.000 1 92 13 12 LEU CB C 40.936 0.000 1 93 13 12 LEU CG C 27.221 0.000 1 94 13 12 LEU CD1 C 25.304 0.000 1 95 13 12 LEU CD2 C 24.110 0.000 1 96 13 12 LEU N N 121.415 0.000 1 97 14 13 ASP H H 7.574 0.000 1 98 14 13 ASP HA H 4.393 0.000 1 99 14 13 ASP HB2 H 2.713 0.000 1 100 14 13 ASP HB3 H 2.713 0.000 1 101 14 13 ASP CA C 57.136 0.000 1 102 14 13 ASP CB C 41.086 0.000 1 103 14 13 ASP N N 116.415 0.000 1 104 15 14 LYS H H 7.117 0.000 1 105 15 14 LYS HA H 4.046 0.000 1 106 15 14 LYS HB2 H 2.128 0.000 1 107 15 14 LYS HB3 H 1.887 0.000 1 108 15 14 LYS HG2 H 1.610 0.000 1 109 15 14 LYS HG3 H 1.610 0.000 1 110 15 14 LYS HD2 H 1.672 0.000 1 111 15 14 LYS HE2 H 2.960 0.000 1 112 15 14 LYS CA C 58.402 0.000 1 113 15 14 LYS CB C 32.359 0.000 1 114 15 14 LYS CG C 24.625 0.000 1 115 15 14 LYS CD C 28.946 0.000 1 116 15 14 LYS CE C 42.375 0.000 1 117 15 14 LYS N N 115.478 0.000 1 118 16 15 TRP H H 8.646 0.000 1 119 16 15 TRP HA H 4.025 0.000 1 120 16 15 TRP HB2 H 3.181 0.000 1 121 16 15 TRP HB3 H 3.550 0.000 1 122 16 15 TRP HD1 H 6.514 0.000 1 123 16 15 TRP HE1 H 9.326 0.000 1 124 16 15 TRP HE3 H 7.129 0.000 1 125 16 15 TRP HZ2 H 7.103 0.000 1 126 16 15 TRP HZ3 H 6.452 0.000 1 127 16 15 TRP CA C 60.286 0.000 1 128 16 15 TRP CB C 31.113 0.000 1 129 16 15 TRP CD1 C 124.043 0.000 1 130 16 15 TRP CE3 C 119.504 0.000 1 131 16 15 TRP CZ2 C 113.953 0.000 1 132 16 15 TRP CZ3 C 122.324 0.000 1 133 16 15 TRP N N 121.693 0.000 1 134 16 15 TRP NE1 N 126.482 0.000 1 135 17 16 GLU H H 7.571 0.000 1 136 17 16 GLU HA H 4.691 0.000 1 137 17 16 GLU HB2 H 2.235 0.000 1 138 17 16 GLU HB3 H 2.103 0.000 1 139 17 16 GLU HG2 H 2.886 0.000 1 140 17 16 GLU HG3 H 2.487 0.000 1 141 17 16 GLU CA C 56.769 0.000 1 142 17 16 GLU CB C 29.745 0.000 1 143 17 16 GLU CG C 38.387 0.000 1 144 17 16 GLU N N 127.710 0.000 1 145 18 17 LYS H H 7.456 0.000 1 146 18 17 LYS HA H 4.497 0.000 1 147 18 17 LYS HB2 H 2.005 0.000 1 148 18 17 LYS HB3 H 1.781 0.000 1 149 18 17 LYS HG2 H 1.589 0.000 1 150 18 17 LYS HG3 H 1.589 0.000 1 151 18 17 LYS HD2 H 1.666 0.000 1 152 18 17 LYS HE2 H 3.056 0.000 1 153 18 17 LYS HE3 H 3.056 0.000 1 154 18 17 LYS CA C 55.569 0.000 1 155 18 17 LYS CB C 33.939 0.000 1 156 18 17 LYS CG C 25.407 0.000 1 157 18 17 LYS CD C 29.060 0.000 1 158 18 17 LYS CE C 42.389 0.000 1 159 18 17 LYS N N 115.790 0.000 1 160 19 18 ILE H H 7.633 0.000 1 161 19 18 ILE HA H 3.557 0.000 1 162 19 18 ILE HB H 1.592 0.000 1 163 19 18 ILE HG12 H 1.961 0.000 1 164 19 18 ILE HG13 H 0.851 0.000 1 165 19 18 ILE HG2 H 0.582 0.027 1 166 19 18 ILE HD1 H 0.488 0.004 1 167 19 18 ILE CA C 63.120 0.013 1 168 19 18 ILE CB C 38.182 0.006 1 169 19 18 ILE CG1 C 27.919 0.191 1 170 19 18 ILE CG2 C 16.699 0.053 1 171 19 18 ILE CD1 C 14.981 0.045 1 172 19 18 ILE N N 124.228 0.000 1 173 20 19 ARG H H 8.031 0.000 1 174 20 19 ARG HA H 4.428 0.000 1 175 20 19 ARG HB2 H 1.832 0.000 1 176 20 19 ARG HB3 H 1.671 0.000 1 177 20 19 ARG HG2 H 1.773 0.000 1 178 20 19 ARG HG3 H 1.683 0.000 1 179 20 19 ARG HD2 H 3.311 0.000 1 180 20 19 ARG HD3 H 3.311 0.000 1 181 20 19 ARG CA C 56.495 0.000 1 182 20 19 ARG CB C 31.537 0.000 1 183 20 19 ARG CG C 28.781 0.000 1 184 20 19 ARG CD C 43.501 0.000 1 185 20 19 ARG N N 125.790 0.000 1 186 21 20 LEU H H 7.810 0.000 1 187 21 20 LEU HA H 3.446 0.000 1 188 21 20 LEU HB2 H 1.411 0.001 1 189 21 20 LEU HB3 H 1.228 0.002 1 190 21 20 LEU HG H 0.732 0.001 1 191 21 20 LEU HD1 H 0.240 0.003 1 192 21 20 LEU HD2 H -0.364 0.002 1 193 21 20 LEU CA C 58.235 0.004 1 194 21 20 LEU CB C 41.535 0.053 1 195 21 20 LEU CG C 28.150 0.069 1 196 21 20 LEU CD1 C 24.873 0.023 1 197 21 20 LEU CD2 C 21.741 0.011 1 198 21 20 LEU N N 120.165 0.000 1 199 22 21 ARG H H 8.974 0.000 1 200 22 21 ARG HA H 4.845 0.000 1 201 22 21 ARG HB2 H 1.843 0.000 1 202 22 21 ARG HB3 H 1.627 0.000 1 203 22 21 ARG HG2 H 1.540 0.000 1 204 22 21 ARG HG3 H 1.540 0.000 1 205 22 21 ARG HD2 H 3.185 0.000 1 206 22 21 ARG HD3 H 3.185 0.000 1 207 22 21 ARG CA C 52.844 0.000 1 208 22 21 ARG CB C 31.617 0.000 1 209 22 21 ARG CG C 26.607 0.000 1 210 22 21 ARG CD C 43.440 0.000 1 211 22 21 ARG N N 119.540 0.000 1 212 23 22 PRO HA H 4.360 0.000 1 213 23 22 PRO HB2 H 1.904 0.000 1 214 23 22 PRO HB3 H 2.249 0.000 1 215 23 22 PRO HG2 H 2.099 0.000 1 216 23 22 PRO HG3 H 2.099 0.000 1 217 23 22 PRO HD2 H 3.602 0.000 1 218 23 22 PRO HD3 H 3.602 0.000 1 219 23 22 PRO CA C 63.436 0.000 1 220 23 22 PRO CB C 31.565 0.000 1 221 23 22 PRO CG C 28.122 0.000 1 222 23 22 PRO CD C 50.485 0.000 1 223 24 23 GLY H H 9.138 0.000 1 224 24 23 GLY HA2 H 3.922 0.000 1 225 24 23 GLY HA3 H 3.804 0.000 1 226 24 23 GLY CA C 45.805 0.000 1 227 24 23 GLY N N 112.665 0.000 1 228 25 24 GLY H H 8.134 0.000 1 229 25 24 GLY HA2 H 4.132 0.000 1 230 25 24 GLY HA3 H 4.133 0.000 1 231 25 24 GLY CA C 44.572 0.000 1 232 25 24 GLY N N 107.978 0.000 1 233 26 25 LYS H H 8.665 0.000 1 234 26 25 LYS HA H 4.264 0.000 1 235 26 25 LYS HB2 H 1.787 0.000 1 236 26 25 LYS HB3 H 1.787 0.000 1 237 26 25 LYS HG2 H 1.450 0.000 1 238 26 25 LYS HG3 H 1.450 0.000 1 239 26 25 LYS CA C 56.853 0.000 1 240 26 25 LYS CB C 34.056 0.000 1 241 26 25 LYS CG C 25.363 0.000 1 242 26 25 LYS N N 117.665 0.000 1 243 27 26 LYS H H 7.817 0.000 1 244 27 26 LYS HA H 4.311 0.000 1 245 27 26 LYS HB2 H 1.801 0.000 1 246 27 26 LYS HB3 H 1.801 0.000 1 247 27 26 LYS HG2 H 1.632 0.000 1 248 27 26 LYS HG3 H 1.632 0.000 1 249 27 26 LYS HD2 H 1.813 0.000 1 250 27 26 LYS HD3 H 1.813 0.000 1 251 27 26 LYS CA C 57.211 0.000 1 252 27 26 LYS CB C 33.878 0.000 1 253 27 26 LYS CG C 25.868 0.000 1 254 27 26 LYS CD C 30.790 0.000 1 255 27 26 LYS N N 117.925 0.000 1 256 28 27 GLN H H 8.458 0.000 1 257 28 27 GLN HA H 4.816 0.000 1 258 28 27 GLN HB2 H 2.078 0.000 1 259 28 27 GLN HB3 H 1.918 0.000 1 260 28 27 GLN HG2 H 2.014 0.000 1 261 28 27 GLN HG3 H 2.014 0.000 1 262 28 27 GLN CA C 54.473 0.000 1 263 28 27 GLN CB C 34.054 0.000 1 264 28 27 GLN CG C 34.807 0.000 1 265 28 27 GLN N N 122.978 0.000 1 266 29 28 TYR H H 7.824 0.000 1 267 29 28 TYR HA H 3.732 0.000 1 268 29 28 TYR HB2 H 1.936 0.000 1 269 29 28 TYR HB3 H 1.556 0.000 1 270 29 28 TYR HD1 H 6.387 0.000 1 271 29 28 TYR HD2 H 6.387 0.000 1 272 29 28 TYR HE1 H 6.362 0.000 1 273 29 28 TYR HE2 H 6.362 0.000 1 274 29 28 TYR CA C 61.010 0.000 1 275 29 28 TYR CB C 37.216 0.000 1 276 29 28 TYR CD1 C 136.604 0.000 1 277 29 28 TYR CD2 C 136.604 0.000 1 278 29 28 TYR CE1 C 116.565 0.000 1 279 29 28 TYR CE2 C 116.565 0.000 1 280 29 28 TYR N N 119.540 0.000 1 281 30 29 LYS H H 10.610 0.000 1 282 30 29 LYS HA H 5.216 0.000 1 283 30 29 LYS HB2 H 1.929 0.000 1 284 30 29 LYS HB3 H 2.380 0.000 1 285 30 29 LYS HG2 H 1.666 0.000 1 286 30 29 LYS HG3 H 1.666 0.000 1 287 30 29 LYS HD2 H 1.778 0.000 1 288 30 29 LYS HD3 H 1.778 0.000 1 289 30 29 LYS CA C 54.065 0.000 1 290 30 29 LYS CB C 38.588 0.000 1 291 30 29 LYS CG C 24.645 0.000 1 292 30 29 LYS CD C 29.100 0.000 1 293 30 29 LYS N N 117.978 0.000 1 294 31 30 LEU H H 9.991 0.000 1 295 31 30 LEU HA H 4.181 0.000 1 296 31 30 LEU HB2 H 1.806 0.000 1 297 31 30 LEU HB3 H 1.782 0.000 1 298 31 30 LEU HG H 1.760 0.000 1 299 31 30 LEU HD1 H 0.974 0.000 1 300 31 30 LEU HD2 H 0.959 0.000 1 301 31 30 LEU CA C 59.234 0.000 1 302 31 30 LEU CB C 41.002 0.000 1 303 31 30 LEU CG C 27.208 0.000 1 304 31 30 LEU CD1 C 24.126 0.000 1 305 31 30 LEU CD2 C 24.040 0.000 1 306 31 30 LEU N N 128.602 0.000 1 307 32 31 LYS H H 8.399 0.000 1 308 32 31 LYS HA H 4.145 0.000 1 309 32 31 LYS HB2 H 1.786 0.000 1 310 32 31 LYS HB3 H 1.878 0.000 1 311 32 31 LYS HG2 H 1.634 0.000 1 312 32 31 LYS HD2 H 1.461 0.000 1 313 32 31 LYS HD3 H 1.461 0.000 1 314 32 31 LYS HE2 H 3.030 0.000 1 315 32 31 LYS HE3 H 3.030 0.000 1 316 32 31 LYS CA C 59.097 0.000 1 317 32 31 LYS CB C 31.559 0.000 1 318 32 31 LYS CG C 24.535 0.000 1 319 32 31 LYS CD C 29.601 0.000 1 320 32 31 LYS CE C 42.318 0.000 1 321 32 31 LYS N N 115.165 0.000 1 322 33 32 HIS H H 8.193 0.000 1 323 33 32 HIS HA H 4.604 0.000 1 324 33 32 HIS HB2 H 3.893 0.000 1 325 33 32 HIS HB3 H 3.898 0.000 1 326 33 32 HIS HD2 H 7.182 0.000 1 327 33 32 HIS HE1 H 7.677 0.000 1 328 33 32 HIS CA C 62.891 0.000 1 329 33 32 HIS CB C 32.784 0.000 1 330 33 32 HIS CD2 C 117.159 0.000 1 331 33 32 HIS CE1 C 137.639 0.000 1 332 33 32 HIS N N 119.540 0.000 1 333 34 33 ILE H H 7.898 0.000 1 334 34 33 ILE HA H 3.794 0.000 1 335 34 33 ILE HB H 2.176 0.000 1 336 34 33 ILE HG12 H 1.379 0.004 1 337 34 33 ILE HG13 H 0.680 0.002 1 338 34 33 ILE HG2 H 0.737 0.029 1 339 34 33 ILE HD1 H -0.142 0.001 1 340 34 33 ILE CA C 63.848 0.011 1 341 34 33 ILE CB C 36.979 0.026 1 342 34 33 ILE CG1 C 28.954 0.076 1 343 34 33 ILE CG2 C 17.574 0.052 1 344 34 33 ILE CD1 C 11.691 0.038 1 345 34 33 ILE N N 119.540 0.000 1 346 35 34 VAL H H 7.706 0.000 1 347 35 34 VAL HA H 3.612 0.000 1 348 35 34 VAL HB H 2.144 0.000 1 349 35 34 VAL HG1 H 1.061 0.006 1 350 35 34 VAL HG2 H 1.026 0.000 1 351 35 34 VAL CA C 66.746 0.000 1 352 35 34 VAL CB C 32.142 0.000 1 353 35 34 VAL CG1 C 21.658 0.000 1 354 35 34 VAL CG2 C 22.074 0.057 1 355 35 34 VAL N N 122.040 0.000 1 356 36 35 TRP H H 8.452 0.000 1 357 36 35 TRP HA H 4.233 0.000 1 358 36 35 TRP HB2 H 3.495 0.000 1 359 36 35 TRP HB3 H 3.495 0.000 1 360 36 35 TRP HD1 H 7.427 0.000 1 361 36 35 TRP HE1 H 10.286 0.000 1 362 36 35 TRP HE3 H 6.922 0.000 1 363 36 35 TRP HZ2 H 7.439 0.000 1 364 36 35 TRP HH2 H 7.382 0.000 1 365 36 35 TRP CA C 62.110 0.000 1 366 36 35 TRP CB C 28.412 0.000 1 367 36 35 TRP CD1 C 127.807 0.000 1 368 36 35 TRP CZ2 C 114.684 0.000 1 369 36 35 TRP CZ3 C 119.764 0.000 1 370 36 35 TRP CH2 C 124.053 0.000 1 371 36 35 TRP N N 119.986 0.000 1 372 36 35 TRP NE1 N 131.102 0.000 1 373 37 36 ALA H H 8.311 0.000 1 374 37 36 ALA HA H 3.390 0.009 1 375 37 36 ALA HB H 1.552 0.003 1 376 37 36 ALA CA C 55.113 0.027 1 377 37 36 ALA CB C 17.430 0.061 1 378 37 36 ALA N N 120.478 0.000 1 379 38 37 SER H H 8.259 0.000 1 380 38 37 SER HA H 3.906 0.000 1 381 38 37 SER HB2 H 3.909 0.000 1 382 38 37 SER HB3 H 3.909 0.000 1 383 38 37 SER CA C 62.801 0.000 1 384 38 37 SER CB C 62.829 0.000 1 385 38 37 SER N N 111.415 0.000 1 386 39 38 ARG H H 7.559 0.000 1 387 39 38 ARG HA H 4.146 0.000 1 388 39 38 ARG HB2 H 1.882 0.000 1 389 39 38 ARG HB3 H 1.882 0.000 1 390 39 38 ARG HG2 H 1.761 0.000 1 391 39 38 ARG HG3 H 1.761 0.000 1 392 39 38 ARG HD2 H 3.186 0.000 1 393 39 38 ARG HD3 H 3.196 0.000 1 394 39 38 ARG CA C 58.410 0.000 1 395 39 38 ARG CB C 30.008 0.000 1 396 39 38 ARG CG C 27.216 0.000 1 397 39 38 ARG CD C 43.228 0.000 1 398 39 38 ARG N N 119.852 0.000 1 399 40 39 GLU H H 8.222 0.000 1 400 40 39 GLU HA H 3.787 0.000 1 401 40 39 GLU HB2 H 1.567 0.000 1 402 40 39 GLU HB3 H 1.567 0.000 1 403 40 39 GLU CA C 58.281 0.000 1 404 40 39 GLU CB C 29.674 0.000 1 405 40 39 GLU CG C 34.363 0.000 1 406 40 39 GLU N N 121.102 0.000 1 407 41 40 LEU H H 8.016 0.000 1 408 41 40 LEU HA H 3.953 0.001 1 409 41 40 LEU HB2 H 1.893 0.000 1 410 41 40 LEU HB3 H 1.430 0.000 1 411 41 40 LEU HG H 2.023 0.009 1 412 41 40 LEU HD1 H 0.865 0.004 1 413 41 40 LEU HD2 H 0.784 0.003 1 414 41 40 LEU CA C 58.323 0.035 1 415 41 40 LEU CB C 40.180 0.026 1 416 41 40 LEU CG C 26.825 0.102 1 417 41 40 LEU CD1 C 26.648 0.040 1 418 41 40 LEU CD2 C 22.760 0.057 1 419 41 40 LEU N N 117.040 0.000 1 420 42 41 GLU H H 7.559 0.000 1 421 42 41 GLU HA H 4.127 0.000 1 422 42 41 GLU HB2 H 2.130 0.000 1 423 42 41 GLU HB3 H 1.673 0.000 1 424 42 41 GLU HG2 H 2.543 0.000 1 425 42 41 GLU HG3 H 2.173 0.000 1 426 42 41 GLU CA C 59.571 0.000 1 427 42 41 GLU CB C 29.665 0.000 1 428 42 41 GLU CG C 36.819 0.000 1 429 42 41 GLU N N 117.352 0.000 1 430 43 42 ARG H H 7.647 0.000 1 431 43 42 ARG HA H 4.042 0.003 1 432 43 42 ARG HB2 H 1.662 0.000 1 433 43 42 ARG HB3 H 2.124 0.000 1 434 43 42 ARG HG2 H 1.426 0.002 1 435 43 42 ARG HG3 H 1.669 0.000 1 436 43 42 ARG HD2 H 3.040 0.000 1 437 43 42 ARG HD3 H 3.040 0.000 1 438 43 42 ARG CA C 58.490 0.053 1 439 43 42 ARG CB C 29.665 0.000 1 440 43 42 ARG CG C 27.154 0.071 1 441 43 42 ARG CD C 43.558 0.054 1 442 43 42 ARG N N 119.540 0.000 1 443 44 43 PHE H H 7.529 0.000 1 444 44 43 PHE HA H 4.614 0.005 1 445 44 43 PHE HB2 H 2.744 0.009 1 446 44 43 PHE HB3 H 3.492 0.002 1 447 44 43 PHE HD1 H 7.243 0.009 1 448 44 43 PHE HD2 H 7.243 0.009 1 449 44 43 PHE HE1 H 7.035 0.000 1 450 44 43 PHE HE2 H 7.035 0.000 1 451 44 43 PHE CA C 57.358 0.057 1 452 44 43 PHE CB C 39.166 0.045 1 453 44 43 PHE CD1 C 131.366 0.037 1 454 44 43 PHE CD2 C 131.366 0.037 1 455 44 43 PHE CE1 C 133.391 0.000 1 456 44 43 PHE CE2 C 133.391 0.000 1 457 44 43 PHE N N 117.665 0.000 1 458 45 44 ALA H H 7.928 0.000 1 459 45 44 ALA HA H 4.015 0.000 1 460 45 44 ALA HB H 1.468 0.041 1 461 45 44 ALA CA C 53.414 0.000 1 462 45 44 ALA CB C 16.279 0.004 1 463 45 44 ALA N N 118.915 0.000 1 464 46 45 VAL H H 7.765 0.000 1 465 46 45 VAL HA H 4.095 0.000 1 466 46 45 VAL HB H 1.812 0.010 1 467 46 45 VAL HG1 H 0.892 0.004 1 468 46 45 VAL HG2 H 0.809 0.000 1 469 46 45 VAL CA C 60.821 0.032 1 470 46 45 VAL CB C 33.366 0.046 1 471 46 45 VAL CG1 C 21.579 0.000 1 472 46 45 VAL CG2 C 21.574 0.020 1 473 46 45 VAL N N 119.540 0.000 1 474 47 46 ASN H H 8.399 0.000 1 475 47 46 ASN HA H 4.646 0.000 1 476 47 46 ASN HB2 H 2.878 0.000 1 477 47 46 ASN HB3 H 2.878 0.000 1 478 47 46 ASN CA C 50.997 0.000 1 479 47 46 ASN CB C 39.086 0.000 1 480 47 46 ASN N N 125.790 0.000 1 481 48 47 PRO HA H 4.222 0.000 1 482 48 47 PRO HB2 H 2.361 0.000 1 483 48 47 PRO HB3 H 2.025 0.000 1 484 48 47 PRO HG2 H 2.010 0.000 1 485 48 47 PRO HG3 H 1.786 0.000 1 486 48 47 PRO HD2 H 3.887 0.000 1 487 48 47 PRO HD3 H 4.253 0.000 1 488 48 47 PRO CA C 64.314 0.000 1 489 48 47 PRO CB C 31.740 0.000 1 490 48 47 PRO CG C 27.814 0.000 1 491 48 47 PRO CD C 50.938 0.000 1 492 49 48 GLY H H 8.620 0.000 1 493 49 48 GLY HA2 H 3.816 0.000 1 494 49 48 GLY HA3 H 3.770 0.000 1 495 49 48 GLY CA C 46.530 0.000 1 496 49 48 GLY N N 108.290 0.000 1 497 50 49 LEU H H 7.765 0.000 1 498 50 49 LEU HA H 4.146 0.006 1 499 50 49 LEU HB2 H 1.722 0.000 1 500 50 49 LEU HB3 H 1.477 0.000 1 501 50 49 LEU HG H 1.753 0.000 1 502 50 49 LEU HD1 H 0.905 0.003 1 503 50 49 LEU HD2 H 0.992 0.003 1 504 50 49 LEU CA C 57.241 0.049 1 505 50 49 LEU CB C 41.563 0.000 1 506 50 49 LEU CG C 27.887 0.013 1 507 50 49 LEU CD1 C 25.658 0.032 1 508 50 49 LEU CD2 C 22.593 0.037 1 509 50 49 LEU N N 121.728 0.000 1 510 51 50 LEU H H 7.412 0.000 1 511 51 50 LEU HA H 4.238 0.000 1 512 51 50 LEU HB2 H 1.385 0.000 1 513 51 50 LEU HB3 H 1.784 0.000 1 514 51 50 LEU HG H 1.625 0.000 1 515 51 50 LEU HD1 H 0.835 0.000 1 516 51 50 LEU HD2 H 0.807 0.000 1 517 51 50 LEU CA C 56.507 0.000 1 518 51 50 LEU CB C 42.490 0.000 1 519 51 50 LEU CG C 27.081 0.000 1 520 51 50 LEU CD1 C 23.088 0.000 1 521 51 50 LEU CD2 C 25.800 0.000 1 522 51 50 LEU N N 112.040 0.000 1 523 52 51 GLU H H 7.500 0.000 1 524 52 51 GLU HA H 4.055 0.000 1 525 52 51 GLU HB2 H 2.133 0.000 1 526 52 51 GLU HB3 H 2.176 0.000 1 527 52 51 GLU HG2 H 2.272 0.000 1 528 52 51 GLU HG3 H 2.315 0.000 1 529 52 51 GLU CA C 58.384 0.000 1 530 52 51 GLU CB C 31.058 0.000 1 531 52 51 GLU CG C 37.142 0.000 1 532 52 51 GLU N N 114.540 0.000 1 533 53 52 THR H H 7.235 0.000 1 534 53 52 THR HA H 4.402 0.000 1 535 53 52 THR HB H 4.544 0.000 1 536 53 52 THR HG2 H 1.086 0.000 1 537 53 52 THR CA C 58.306 0.000 1 538 53 52 THR CB C 73.222 0.000 1 539 53 52 THR CG2 C 21.482 0.000 1 540 53 52 THR N N 122.978 0.000 1 541 54 53 SER H H 9.313 0.000 1 542 54 53 SER HA H 4.043 0.000 1 543 54 53 SER HB2 H 3.752 0.000 1 544 54 53 SER HB3 H 3.752 0.000 1 545 54 53 SER CA C 62.657 0.000 1 546 54 53 SER CB C 62.562 0.000 1 547 54 53 SER N N 119.228 0.000 1 548 55 54 GLU H H 8.975 0.000 1 549 55 54 GLU HA H 4.069 0.000 1 550 55 54 GLU HB2 H 2.014 0.000 1 551 55 54 GLU HB3 H 2.000 0.000 1 552 55 54 GLU HG2 H 2.363 0.000 1 553 55 54 GLU HG3 H 2.307 0.000 1 554 55 54 GLU CA C 59.675 0.000 1 555 55 54 GLU CB C 28.999 0.000 1 556 55 54 GLU CG C 36.083 0.000 1 557 55 54 GLU N N 121.233 0.000 1 558 56 55 GLY H H 8.517 0.000 1 559 56 55 GLY HA2 H 4.628 0.000 1 560 56 55 GLY HA3 H 3.781 0.000 1 561 56 55 GLY CA C 47.866 0.000 1 562 56 55 GLY N N 110.790 0.000 1 563 57 56 CYS H H 8.122 0.000 1 564 57 56 CYS HA H 4.020 0.000 1 565 57 56 CYS HB2 H 2.499 0.000 1 566 57 56 CYS HB3 H 3.478 0.000 1 567 57 56 CYS CA C 64.602 0.000 1 568 57 56 CYS CB C 47.795 0.000 1 569 57 56 CYS N N 118.602 0.000 1 570 58 57 ARG H H 8.488 0.000 1 571 58 57 ARG HA H 3.550 0.000 1 572 58 57 ARG HB2 H 1.965 0.000 1 573 58 57 ARG HB3 H 1.989 0.000 1 574 58 57 ARG HG2 H 1.500 0.000 1 575 58 57 ARG HG3 H 1.500 0.000 1 576 58 57 ARG HD2 H 3.095 0.000 1 577 58 57 ARG HD3 H 3.095 0.000 1 578 58 57 ARG CA C 59.707 0.000 1 579 58 57 ARG CB C 29.449 0.000 1 580 58 57 ARG CG C 27.749 0.000 1 581 58 57 ARG CD C 43.247 0.000 1 582 58 57 ARG N N 119.540 0.000 1 583 59 58 GLN H H 8.016 0.000 1 584 59 58 GLN HA H 4.052 0.000 1 585 59 58 GLN HB2 H 2.349 0.000 1 586 59 58 GLN HB3 H 2.349 0.000 1 587 59 58 GLN HG2 H 2.427 0.000 1 588 59 58 GLN HG3 H 2.482 0.000 1 589 59 58 GLN CA C 59.400 0.000 1 590 59 58 GLN CB C 28.234 0.000 1 591 59 58 GLN CG C 33.835 0.000 1 592 59 58 GLN N N 119.852 0.000 1 593 60 59 ILE H H 8.163 0.000 1 594 60 59 ILE HA H 3.611 0.006 1 595 60 59 ILE HB H 1.912 0.000 1 596 60 59 ILE HG12 H 1.921 0.017 1 597 60 59 ILE HG13 H 0.850 0.001 1 598 60 59 ILE HG2 H 0.878 0.003 1 599 60 59 ILE HD1 H 0.765 0.023 1 600 60 59 ILE CA C 65.590 0.037 1 601 60 59 ILE CB C 37.850 0.015 1 602 60 59 ILE CG1 C 28.193 0.076 1 603 60 59 ILE CG2 C 19.328 0.058 1 604 60 59 ILE CD1 C 14.884 0.031 1 605 60 59 ILE N N 120.790 0.000 1 606 61 60 LEU H H 8.370 0.000 1 607 61 60 LEU HA H 3.895 0.000 1 608 61 60 LEU HB2 H 1.752 0.000 1 609 61 60 LEU HB3 H 1.270 0.000 1 610 61 60 LEU HG H 1.663 0.000 1 611 61 60 LEU HD1 H 0.405 0.005 1 612 61 60 LEU HD2 H 0.055 0.002 1 613 61 60 LEU CA C 58.654 0.009 1 614 61 60 LEU CB C 40.776 0.000 1 615 61 60 LEU CG C 25.965 0.000 1 616 61 60 LEU CD1 C 25.415 0.080 1 617 61 60 LEU CD2 C 22.465 0.032 1 618 61 60 LEU N N 118.915 0.000 1 619 62 61 GLY H H 7.883 0.000 1 620 62 61 GLY HA2 H 3.950 0.000 1 621 62 61 GLY HA3 H 4.018 0.000 1 622 62 61 GLY CA C 47.184 0.000 1 623 62 61 GLY N N 104.332 0.000 1 624 63 62 GLN H H 7.795 0.000 1 625 63 62 GLN HA H 4.152 0.003 1 626 63 62 GLN HB2 H 2.240 0.006 1 627 63 62 GLN HB3 H 2.124 0.003 1 628 63 62 GLN HG2 H 2.508 0.006 1 629 63 62 GLN HG3 H 2.386 0.000 1 630 63 62 GLN CA C 57.994 0.080 1 631 63 62 GLN CB C 29.199 0.098 1 632 63 62 GLN CG C 34.205 0.105 1 633 63 62 GLN N N 119.852 0.000 1 634 64 63 LEU H H 8.252 0.000 1 635 64 63 LEU HA H 4.281 0.002 1 636 64 63 LEU HB2 H 2.104 0.004 1 637 64 63 LEU HB3 H 1.508 0.006 1 638 64 63 LEU HG H 1.902 0.000 1 639 64 63 LEU HD1 H 0.770 0.004 1 640 64 63 LEU HD2 H 0.641 0.018 1 641 64 63 LEU CA C 56.101 0.113 1 642 64 63 LEU CB C 44.243 0.079 1 643 64 63 LEU CG C 26.595 0.000 1 644 64 63 LEU CD1 C 25.896 0.062 1 645 64 63 LEU CD2 C 21.811 0.052 1 646 64 63 LEU N N 117.040 0.000 1 647 65 64 GLN H H 8.104 0.000 1 648 65 64 GLN HA H 3.779 0.000 1 649 65 64 GLN HB2 H 2.576 0.000 1 650 65 64 GLN HB3 H 2.494 0.000 1 651 65 64 GLN HG2 H 2.377 0.000 1 652 65 64 GLN HG3 H 2.377 0.000 1 653 65 64 GLN CA C 61.547 0.000 1 654 65 64 GLN CB C 25.864 0.000 1 655 65 64 GLN CG C 34.077 0.000 1 656 65 64 GLN N N 118.915 0.000 1 657 66 65 PRO HA H 4.383 0.000 1 658 66 65 PRO HB2 H 1.834 0.000 1 659 66 65 PRO HB3 H 2.379 0.000 1 660 66 65 PRO HG2 H 2.042 0.000 1 661 66 65 PRO HG3 H 2.043 0.000 1 662 66 65 PRO HD2 H 3.768 0.000 1 663 66 65 PRO HD3 H 3.567 0.000 1 664 66 65 PRO CA C 65.917 0.000 1 665 66 65 PRO CB C 31.099 0.000 1 666 66 65 PRO CG C 28.237 0.000 1 667 66 65 PRO CD C 50.882 0.000 1 668 67 66 SER H H 7.824 0.000 1 669 67 66 SER HA H 4.493 0.000 1 670 67 66 SER HB2 H 3.933 0.000 1 671 67 66 SER HB3 H 3.933 0.000 1 672 67 66 SER CA C 59.696 0.000 1 673 67 66 SER CB C 64.031 0.000 1 674 67 66 SER N N 111.415 0.000 1 675 68 67 LEU H H 7.647 0.000 1 676 68 67 LEU HA H 3.816 0.000 1 677 68 67 LEU HB2 H 1.618 0.002 1 678 68 67 LEU HB3 H 1.360 0.000 1 679 68 67 LEU HG H 1.473 0.000 1 680 68 67 LEU HD1 H 0.164 0.003 1 681 68 67 LEU HD2 H 0.359 0.003 1 682 68 67 LEU CA C 57.948 0.073 1 683 68 67 LEU CB C 41.769 0.077 1 684 68 67 LEU CG C 26.187 0.065 1 685 68 67 LEU CD1 C 23.983 0.061 1 686 68 67 LEU CD2 C 22.155 0.023 1 687 68 67 LEU N N 121.102 0.000 1 688 69 68 GLN H H 8.060 0.000 1 689 69 68 GLN HA H 4.069 0.000 1 690 69 68 GLN HB2 H 2.132 0.000 1 691 69 68 GLN HB3 H 2.132 0.000 1 692 69 68 GLN HG2 H 2.398 0.000 1 693 69 68 GLN HG3 H 2.398 0.000 1 694 69 68 GLN CA C 58.470 0.000 1 695 69 68 GLN CB C 28.428 0.000 1 696 69 68 GLN CG C 33.771 0.000 1 697 69 68 GLN N N 116.415 0.000 1 698 70 69 THR H H 7.515 0.000 1 699 70 69 THR HA H 4.481 0.000 1 700 70 69 THR HB H 4.527 0.002 1 701 70 69 THR HG2 H 1.192 0.000 1 702 70 69 THR CA C 61.291 0.068 1 703 70 69 THR CB C 69.415 0.052 1 704 70 69 THR CG2 C 21.573 0.000 1 705 70 69 THR N N 106.728 0.000 1 706 71 70 GLY H H 7.692 0.000 1 707 71 70 GLY HA2 H 4.211 0.000 1 708 71 70 GLY HA3 H 3.909 0.000 1 709 71 70 GLY CA C 45.553 0.000 1 710 71 70 GLY N N 109.540 0.000 1 711 72 71 SER H H 8.045 0.000 1 712 72 71 SER HA H 4.625 0.000 1 713 72 71 SER HB2 H 4.387 0.000 1 714 72 71 SER HB3 H 4.027 0.000 1 715 72 71 SER CA C 57.319 0.000 1 716 72 71 SER CB C 64.599 0.000 1 717 72 71 SER N N 114.540 0.000 1 718 73 72 GLU H H 9.092 0.000 1 719 73 72 GLU HA H 4.087 0.000 1 720 73 72 GLU HB2 H 2.114 0.000 1 721 73 72 GLU HB3 H 2.037 0.000 1 722 73 72 GLU HG2 H 2.382 0.000 1 723 73 72 GLU HG3 H 2.382 0.000 1 724 73 72 GLU CA C 59.380 0.000 1 725 73 72 GLU CB C 29.302 0.000 1 726 73 72 GLU CG C 36.063 0.000 1 727 73 72 GLU N N 124.228 0.000 1 728 74 73 GLU H H 8.665 0.000 1 729 74 73 GLU HA H 4.289 0.000 1 730 74 73 GLU HB2 H 2.228 0.000 1 731 74 73 GLU HB3 H 2.128 0.000 1 732 74 73 GLU HG2 H 2.504 0.000 1 733 74 73 GLU HG3 H 2.406 0.000 1 734 74 73 GLU CA C 60.228 0.000 1 735 74 73 GLU CB C 29.462 0.000 1 736 74 73 GLU CG C 36.623 0.000 1 737 74 73 GLU N N 120.165 0.000 1 738 75 74 LEU H H 7.765 0.000 1 739 75 74 LEU HA H 4.161 0.011 1 740 75 74 LEU HB2 H 1.803 0.000 1 741 75 74 LEU HB3 H 1.695 0.000 1 742 75 74 LEU HG H 1.695 0.000 1 743 75 74 LEU HD1 H 0.884 0.014 1 744 75 74 LEU HD2 H 0.828 0.004 1 745 75 74 LEU CA C 57.953 0.022 1 746 75 74 LEU CB C 41.268 0.078 1 747 75 74 LEU CG C 27.826 0.000 1 748 75 74 LEU CD1 C 25.039 0.063 1 749 75 74 LEU CD2 C 25.216 0.014 1 750 75 74 LEU N N 121.415 0.000 1 751 76 75 ARG H H 7.868 0.000 1 752 76 75 ARG HA H 3.933 0.000 1 753 76 75 ARG HB2 H 2.022 0.000 1 754 76 75 ARG HB3 H 2.022 0.000 1 755 76 75 ARG HG2 H 1.672 0.000 1 756 76 75 ARG HG3 H 1.672 0.000 1 757 76 75 ARG HD2 H 3.246 0.000 1 758 76 75 ARG HD3 H 3.246 0.000 1 759 76 75 ARG CA C 59.682 0.000 1 760 76 75 ARG CB C 29.197 0.000 1 761 76 75 ARG CG C 27.371 0.000 1 762 76 75 ARG CD C 43.051 0.000 1 763 76 75 ARG N N 119.228 0.000 1 764 77 76 SER H H 8.576 0.000 1 765 77 76 SER HA H 4.263 0.000 1 766 77 76 SER HB2 H 4.217 0.000 1 767 77 76 SER HB3 H 4.217 0.000 1 768 77 76 SER CA C 62.668 0.000 1 769 77 76 SER CB C 62.849 0.000 1 770 77 76 SER N N 114.228 0.000 1 771 78 77 LEU H H 8.458 0.000 1 772 78 77 LEU HA H 4.421 0.000 1 773 78 77 LEU HB2 H 2.386 0.006 1 774 78 77 LEU HB3 H 1.710 0.000 1 775 78 77 LEU HG H 1.563 0.001 1 776 78 77 LEU HD1 H 0.848 0.006 1 777 78 77 LEU HD2 H 0.826 0.001 1 778 78 77 LEU CA C 58.962 0.068 1 779 78 77 LEU CB C 42.043 0.043 1 780 78 77 LEU CG C 27.305 0.096 1 781 78 77 LEU CD1 C 24.102 0.085 1 782 78 77 LEU CD2 C 26.272 0.018 1 783 78 77 LEU N N 125.790 0.000 1 784 79 78 TYR H H 8.694 0.000 1 785 79 78 TYR HA H 3.661 0.000 1 786 79 78 TYR HB2 H 3.311 0.000 1 787 79 78 TYR HB3 H 2.791 0.000 1 788 79 78 TYR HD1 H 7.049 0.000 1 789 79 78 TYR HD2 H 7.049 0.000 1 790 79 78 TYR HE1 H 6.858 0.000 1 791 79 78 TYR HE2 H 6.858 0.000 1 792 79 78 TYR CA C 62.802 0.000 1 793 79 78 TYR CB C 39.194 0.000 1 794 79 78 TYR CD1 C 133.569 0.000 1 795 79 78 TYR CD2 C 133.569 0.000 1 796 79 78 TYR CE1 C 118.606 0.000 1 797 79 78 TYR CE2 C 118.606 0.000 1 798 79 78 TYR N N 119.852 0.000 1 799 80 79 ASN H H 8.871 0.000 1 800 80 79 ASN HA H 4.284 0.000 1 801 80 79 ASN HB2 H 3.211 0.000 1 802 80 79 ASN HB3 H 2.728 0.000 1 803 80 79 ASN HD21 H 6.409 0.000 1 804 80 79 ASN HD22 H 7.485 0.000 1 805 80 79 ASN CA C 55.787 0.000 1 806 80 79 ASN CB C 37.839 0.000 1 807 80 79 ASN N N 117.040 0.000 1 808 80 79 ASN ND2 N 104.540 0.000 1 809 81 80 THR H H 8.119 0.000 1 810 81 80 THR HA H 3.945 0.000 1 811 81 80 THR HB H 4.725 0.000 1 812 81 80 THR HG2 H 1.593 0.000 1 813 81 80 THR CA C 67.855 0.000 1 814 81 80 THR CB C 69.140 0.000 1 815 81 80 THR CG2 C 21.134 0.000 1 816 81 80 THR N N 115.790 0.000 1 817 82 81 ILE H H 8.090 0.000 1 818 82 81 ILE HA H 3.668 0.000 1 819 82 81 ILE HB H 1.842 0.000 1 820 82 81 ILE HG12 H 1.175 0.000 1 821 82 81 ILE HG13 H 1.792 0.000 1 822 82 81 ILE HG2 H 0.875 0.029 1 823 82 81 ILE HD1 H 0.801 0.002 1 824 82 81 ILE CA C 64.520 0.044 1 825 82 81 ILE CB C 36.486 0.000 1 826 82 81 ILE CG1 C 28.885 0.044 1 827 82 81 ILE CG2 C 17.978 0.129 1 828 82 81 ILE CD1 C 13.903 0.032 1 829 82 81 ILE N N 121.102 0.000 1 830 83 82 ALA H H 8.782 0.000 1 831 83 82 ALA HA H 3.891 0.000 1 832 83 82 ALA HB H 1.349 0.041 1 833 83 82 ALA CA C 55.855 0.000 1 834 83 82 ALA CB C 17.848 0.009 1 835 83 82 ALA N N 125.165 0.000 1 836 84 83 VAL H H 7.795 0.000 1 837 84 83 VAL HA H 3.328 0.000 1 838 84 83 VAL HB H 1.946 0.000 1 839 84 83 VAL HG1 H 0.420 0.002 1 840 84 83 VAL HG2 H 0.993 0.001 1 841 84 83 VAL CA C 67.465 0.019 1 842 84 83 VAL CB C 30.695 0.009 1 843 84 83 VAL CG1 C 24.990 0.021 1 844 84 83 VAL CG2 C 23.426 0.004 1 845 84 83 VAL N N 117.665 0.000 1 846 85 84 LEU H H 8.163 0.000 1 847 85 84 LEU HA H 3.815 0.000 1 848 85 84 LEU HB2 H 1.881 0.001 1 849 85 84 LEU HB3 H 1.753 0.000 1 850 85 84 LEU HG H 1.393 0.000 1 851 85 84 LEU HD1 H 0.510 0.002 1 852 85 84 LEU HD2 H 0.203 0.003 1 853 85 84 LEU CA C 58.310 0.022 1 854 85 84 LEU CB C 42.148 0.035 1 855 85 84 LEU CG C 26.528 0.000 1 856 85 84 LEU CD1 C 26.950 0.054 1 857 85 84 LEU CD2 C 23.883 0.087 1 858 85 84 LEU N N 122.040 0.000 1 859 86 85 TYR H H 9.062 0.000 1 860 86 85 TYR HA H 3.912 0.000 1 861 86 85 TYR HB2 H 3.448 0.000 1 862 86 85 TYR HB3 H 2.861 0.000 1 863 86 85 TYR HD1 H 7.198 0.000 1 864 86 85 TYR HD2 H 7.198 0.000 1 865 86 85 TYR HE1 H 6.620 0.000 1 866 86 85 TYR HE2 H 6.620 0.000 1 867 86 85 TYR CA C 62.818 0.000 1 868 86 85 TYR CB C 38.287 0.000 1 869 86 85 TYR CD1 C 133.327 0.000 1 870 86 85 TYR CD2 C 133.327 0.000 1 871 86 85 TYR CE1 C 118.231 0.000 1 872 86 85 TYR CE2 C 118.231 0.000 1 873 86 85 TYR N N 118.915 0.000 1 874 87 86 CYS H H 7.515 0.000 1 875 87 86 CYS HA H 3.794 0.000 1 876 87 86 CYS HB2 H 3.324 0.000 1 877 87 86 CYS HB3 H 2.868 0.000 1 878 87 86 CYS CA C 65.966 0.000 1 879 87 86 CYS CB C 46.557 0.000 1 880 87 86 CYS N N 116.102 0.000 1 881 88 87 VAL H H 8.448 0.000 1 882 88 87 VAL HA H 3.878 0.000 1 883 88 87 VAL HB H 2.116 0.000 1 884 88 87 VAL HG1 H 0.969 0.001 1 885 88 87 VAL HG2 H 1.167 0.000 1 886 88 87 VAL CA C 66.446 0.004 1 887 88 87 VAL CB C 31.496 0.001 1 888 88 87 VAL CG1 C 24.066 0.021 1 889 88 87 VAL CG2 C 21.776 0.018 1 890 88 87 VAL N N 119.978 0.000 1 891 89 88 HIS H H 8.797 0.000 1 892 89 88 HIS HA H 4.875 0.000 1 893 89 88 HIS HB2 H 3.240 0.000 1 894 89 88 HIS HB3 H 3.240 0.000 1 895 89 88 HIS HD2 H 6.891 0.000 1 896 89 88 HIS HE1 H 8.946 0.000 1 897 89 88 HIS CA C 57.120 0.000 1 898 89 88 HIS CB C 29.083 0.000 1 899 89 88 HIS CD2 C 118.455 0.000 1 900 89 88 HIS N N 118.915 0.000 1 901 90 89 GLN H H 7.986 0.000 1 902 90 89 GLN HA H 4.385 0.000 1 903 90 89 GLN HB2 H 1.901 0.000 1 904 90 89 GLN HB3 H 1.667 0.000 1 905 90 89 GLN HG2 H 1.817 0.000 1 906 90 89 GLN HG3 H 1.817 0.000 1 907 90 89 GLN CA C 55.289 0.000 1 908 90 89 GLN CB C 30.952 0.000 1 909 90 89 GLN CG C 33.398 0.000 1 910 90 89 GLN N N 116.728 0.000 1 911 91 90 ARG H H 7.883 0.000 1 912 91 90 ARG HA H 4.013 0.000 1 913 91 90 ARG HB2 H 2.129 0.000 1 914 91 90 ARG HB3 H 1.920 0.000 1 915 91 90 ARG HG2 H 1.562 0.000 1 916 91 90 ARG HG3 H 1.562 0.000 1 917 91 90 ARG HD2 H 3.201 0.000 1 918 91 90 ARG HD3 H 3.201 0.000 1 919 91 90 ARG CA C 57.183 0.000 1 920 91 90 ARG CB C 26.049 0.000 1 921 91 90 ARG CG C 27.681 0.000 1 922 91 90 ARG CD C 43.435 0.000 1 923 91 90 ARG N N 115.165 0.000 1 924 92 91 ILE H H 8.335 0.000 1 925 92 91 ILE HA H 3.985 0.000 1 926 92 91 ILE HB H 1.544 0.000 1 927 92 91 ILE HG12 H 1.503 0.000 1 928 92 91 ILE HG13 H 0.961 0.000 1 929 92 91 ILE HG2 H 0.854 0.018 1 930 92 91 ILE HD1 H 0.899 0.001 1 931 92 91 ILE CA C 60.656 0.016 1 932 92 91 ILE CB C 38.930 0.002 1 933 92 91 ILE CG1 C 27.141 0.014 1 934 92 91 ILE CG2 C 17.744 0.062 1 935 92 91 ILE CD1 C 13.491 0.063 1 936 92 91 ILE N N 120.087 0.000 1 937 93 92 ASP H H 8.620 0.000 1 938 93 92 ASP HA H 4.485 0.000 1 939 93 92 ASP HB2 H 2.653 0.000 1 940 93 92 ASP HB3 H 2.535 0.000 1 941 93 92 ASP CA C 55.043 0.000 1 942 93 92 ASP CB C 40.396 0.000 1 943 93 92 ASP N N 129.228 0.000 1 944 94 93 VAL H H 7.751 0.000 1 945 94 93 VAL HA H 4.633 0.000 1 946 94 93 VAL HB H 2.147 0.000 1 947 94 93 VAL HG1 H 0.842 0.000 1 948 94 93 VAL HG2 H 0.916 0.000 1 949 94 93 VAL CA C 59.120 0.000 1 950 94 93 VAL CB C 35.512 0.000 1 951 94 93 VAL CG1 C 17.92 0.000 1 952 94 93 VAL CG2 C 23.416 0.000 1 953 94 93 VAL N N 115.790 0.000 1 954 95 94 LYS H H 9.239 0.000 1 955 95 94 LYS HA H 4.393 0.000 1 956 95 94 LYS HB2 H 1.834 0.000 1 957 95 94 LYS HB3 H 1.788 0.000 1 958 95 94 LYS HG2 H 1.558 0.000 1 959 95 94 LYS HG3 H 1.558 0.000 1 960 95 94 LYS HD2 H 2.128 0.000 1 961 95 94 LYS HD3 H 2.128 0.000 1 962 95 94 LYS HE2 H 2.989 0.000 1 963 95 94 LYS HE3 H 2.989 0.000 1 964 95 94 LYS CA C 56.671 0.000 1 965 95 94 LYS CB C 34.008 0.000 1 966 95 94 LYS CG C 24.586 0.000 1 967 95 94 LYS CD C 30.297 0.000 1 968 95 94 LYS CE C 42.045 0.000 1 969 95 94 LYS N N 118.915 0.000 1 970 96 95 ASP H H 7.412 0.000 1 971 96 95 ASP HA H 5.562 0.000 1 972 96 95 ASP HB2 H 2.609 0.000 1 973 96 95 ASP HB3 H 2.089 0.000 1 974 96 95 ASP CA C 52.829 0.000 1 975 96 95 ASP CB C 44.604 0.000 1 976 96 95 ASP N N 112.040 0.000 1 977 97 96 THR H H 7.250 0.000 1 978 97 96 THR HA H 3.661 0.000 1 979 97 96 THR HB H 4.023 0.000 1 980 97 96 THR HG2 H 1.314 0.000 1 981 97 96 THR CA C 65.947 0.000 1 982 97 96 THR CB C 70.285 0.000 1 983 97 96 THR CG2 C 22.771 0.000 1 984 97 96 THR N N 109.540 0.000 1 985 98 97 LYS H H 7.868 0.000 1 986 98 97 LYS HA H 3.945 0.000 1 987 98 97 LYS HB2 H 2.112 0.000 1 988 98 97 LYS HB3 H 1.781 0.000 1 989 98 97 LYS HG2 H 1.444 0.000 1 990 98 97 LYS HG3 H 1.444 0.000 1 991 98 97 LYS HD2 H 2.026 0.000 1 992 98 97 LYS HD3 H 2.026 0.000 1 993 98 97 LYS HE2 H 3.229 0.000 1 994 98 97 LYS HE3 H 3.229 0.000 1 995 98 97 LYS CA C 59.628 0.000 1 996 98 97 LYS CB C 31.927 0.000 1 997 98 97 LYS CG C 24.990 0.000 1 998 98 97 LYS CD C 27.954 0.000 1 999 98 97 LYS CE C 43.076 0.000 1 1000 98 97 LYS N N 121.102 0.000 1 1001 99 98 GLU H H 8.384 0.000 1 1002 99 98 GLU HA H 4.077 0.000 1 1003 99 98 GLU HB2 H 2.129 0.000 1 1004 99 98 GLU HB3 H 2.129 0.000 1 1005 99 98 GLU HG2 H 2.547 0.000 1 1006 99 98 GLU HG3 H 2.253 0.000 1 1007 99 98 GLU CA C 59.795 0.000 1 1008 99 98 GLU CB C 30.246 0.000 1 1009 99 98 GLU CG C 37.198 0.000 1 1010 99 98 GLU N N 119.228 0.000 1 1011 100 99 ALA H H 7.382 0.000 1 1012 100 99 ALA HA H 4.386 0.000 1 1013 100 99 ALA HB H 1.519 0.000 1 1014 100 99 ALA CA C 55.396 0.000 1 1015 100 99 ALA CB C 19.759 0.000 1 1016 100 99 ALA N N 118.915 0.000 1 1017 101 100 LEU H H 8.119 0.000 1 1018 101 100 LEU HA H 4.020 0.000 1 1019 101 100 LEU HB2 H 2.090 0.000 1 1020 101 100 LEU HB3 H 1.567 0.000 1 1021 101 100 LEU HG H 1.887 0.000 1 1022 101 100 LEU HD1 H 0.940 0.000 1 1023 101 100 LEU HD2 H 1.063 0.000 1 1024 101 100 LEU CA C 57.975 0.000 1 1025 101 100 LEU CB C 41.493 0.000 1 1026 101 100 LEU CG C 27.207 0.000 1 1027 101 100 LEU CD1 C 25.611 0.000 1 1028 101 100 LEU CD2 C 22.225 0.000 1 1029 101 100 LEU N N 117.978 0.000 1 1030 102 101 ASP H H 8.679 0.000 1 1031 102 101 ASP HA H 4.367 0.000 1 1032 102 101 ASP HB2 H 2.826 0.000 1 1033 102 101 ASP HB3 H 2.706 0.000 1 1034 102 101 ASP CA C 57.352 0.000 1 1035 102 101 ASP CB C 39.722 0.000 1 1036 102 101 ASP N N 120.478 0.000 1 1037 103 102 LYS H H 8.207 0.000 1 1038 103 102 LYS HA H 4.164 0.000 1 1039 103 102 LYS HB2 H 2.263 0.000 1 1040 103 102 LYS HB3 H 1.894 0.000 1 1041 103 102 LYS HG2 H 1.772 0.000 1 1042 103 102 LYS HG3 H 1.772 0.000 1 1043 103 102 LYS HD2 H 1.760 0.000 1 1044 103 102 LYS HD3 H 1.760 0.000 1 1045 103 102 LYS CA C 58.364 0.000 1 1046 103 102 LYS CB C 31.532 0.000 1 1047 103 102 LYS CG C 24.625 0.000 1 1048 103 102 LYS CD C 27.950 0.000 1 1049 103 102 LYS N N 120.165 0.000 1 1050 104 103 ILE H H 8.163 0.000 1 1051 104 103 ILE HA H 3.810 0.000 1 1052 104 103 ILE HB H 1.987 0.000 1 1053 104 103 ILE HG12 H 1.564 0.000 1 1054 104 103 ILE HG13 H 1.362 0.000 1 1055 104 103 ILE HG2 H 0.840 0.000 1 1056 104 103 ILE HD1 H 0.719 0.000 1 1057 104 103 ILE CA C 64.608 0.000 1 1058 104 103 ILE CB C 37.434 0.000 1 1059 104 103 ILE CG1 C 28.545 0.000 1 1060 104 103 ILE CG2 C 17.860 0.000 1 1061 104 103 ILE CD1 C 14.192 0.000 1 1062 104 103 ILE N N 119.852 0.000 1 1063 105 104 GLU H H 8.001 0.000 1 1064 105 104 GLU HA H 4.035 0.000 1 1065 105 104 GLU HB2 H 1.808 0.000 1 1066 105 104 GLU HB3 H 1.808 0.000 1 1067 105 104 GLU HG2 H 2.366 0.000 1 1068 105 104 GLU HG3 H 2.366 0.000 1 1069 105 104 GLU CA C 59.634 0.000 1 1070 105 104 GLU CB C 32.756 0.000 1 1071 105 104 GLU CG C 36.082 0.000 1 1072 105 104 GLU N N 121.415 0.000 1 1073 106 105 GLU H H 8.031 0.000 1 1074 106 105 GLU HA H 4.090 0.000 1 1075 106 105 GLU HB2 H 2.191 0.000 1 1076 106 105 GLU HB3 H 2.191 0.000 1 1077 106 105 GLU HG2 H 2.381 0.000 1 1078 106 105 GLU HG3 H 2.381 0.000 1 1079 106 105 GLU CA C 59.267 0.000 1 1080 106 105 GLU CB C 29.597 0.000 1 1081 106 105 GLU CG C 36.284 0.000 1 1082 106 105 GLU N N 119.228 0.000 1 1083 107 106 GLU H H 8.016 0.000 1 1084 107 106 GLU HA H 4.073 0.000 1 1085 107 106 GLU HB2 H 2.230 0.000 1 1086 107 106 GLU HB3 H 2.185 0.000 1 1087 107 106 GLU HG2 H 2.410 0.000 1 1088 107 106 GLU HG3 H 2.288 0.000 1 1089 107 106 GLU CA C 59.341 0.000 1 1090 107 106 GLU CB C 29.870 0.000 1 1091 107 106 GLU CG C 36.435 0.000 1 1092 107 106 GLU N N 118.915 0.000 1 1093 108 107 GLN H H 8.252 0.000 1 1094 108 107 GLN HA H 4.147 0.000 1 1095 108 107 GLN HB2 H 2.159 0.000 1 1096 108 107 GLN HB3 H 2.159 0.000 1 1097 108 107 GLN HG2 H 2.511 0.000 1 1098 108 107 GLN HG3 H 2.516 0.000 1 1099 108 107 GLN CA C 58.407 0.000 1 1100 108 107 GLN CB C 28.845 0.000 1 1101 108 107 GLN CG C 34.085 0.000 1 1102 108 107 GLN N N 118.290 0.000 1 1103 109 108 ASN H H 8.252 0.000 1 1104 109 108 ASN HA H 4.617 0.000 1 1105 109 108 ASN HB2 H 2.880 0.000 1 1106 109 108 ASN HB3 H 2.880 0.000 1 1107 109 108 ASN CA C 54.882 0.000 1 1108 109 108 ASN CB C 38.525 0.000 1 1109 109 108 ASN N N 118.290 0.000 1 1110 110 109 LYS H H 8.031 0.000 1 1111 110 109 LYS HA H 4.230 0.000 1 1112 110 109 LYS HB2 H 1.883 0.000 1 1113 110 109 LYS HB3 H 1.883 0.000 1 1114 110 109 LYS HG2 H 1.526 0.000 1 1115 110 109 LYS HG3 H 1.526 0.000 1 1116 110 109 LYS HD2 H 1.689 0.000 1 1117 110 109 LYS HD3 H 1.689 0.000 1 1118 110 109 LYS HE2 H 3.007 0.000 1 1119 110 109 LYS HE3 H 3.007 0.000 1 1120 110 109 LYS CA C 58.311 0.000 1 1121 110 109 LYS CB C 32.691 0.000 1 1122 110 109 LYS CG C 24.558 0.000 1 1123 110 109 LYS CD C 29.136 0.000 1 1124 110 109 LYS CE C 42.075 0.000 1 1125 110 109 LYS N N 120.478 0.000 1 1126 111 110 SER H H 8.031 0.000 1 1127 111 110 SER HA H 4.368 0.000 1 1128 111 110 SER HB2 H 3.932 0.000 1 1129 111 110 SER HB3 H 3.932 0.000 1 1130 111 110 SER CA C 59.764 0.000 1 1131 111 110 SER CB C 63.442 0.000 1 1132 111 110 SER N N 114.540 0.000 1 1133 112 111 LYS H H 7.957 0.000 1 1134 112 111 LYS HA H 4.245 0.000 1 1135 112 111 LYS HB2 H 1.866 0.000 1 1136 112 111 LYS HB3 H 1.866 0.000 1 1137 112 111 LYS HG2 H 1.562 0.000 1 1138 112 111 LYS HG3 H 1.430 0.000 1 1139 112 111 LYS HD2 H 1.663 0.000 1 1140 112 111 LYS HD3 H 1.663 0.000 1 1141 112 111 LYS CA C 57.329 0.000 1 1142 112 111 LYS CB C 32.775 0.000 1 1143 112 111 LYS CG C 24.654 0.000 1 1144 112 111 LYS CD C 29.137 0.000 1 1145 112 111 LYS N N 122.040 0.000 1 1146 113 112 LYS H H 8.016 0.000 1 1147 113 112 LYS HA H 4.150 0.000 1 1148 113 112 LYS HB2 H 1.835 0.000 1 1149 113 112 LYS HB3 H 1.835 0.000 1 1150 113 112 LYS HG2 H 1.504 0.000 1 1151 113 112 LYS HG3 H 1.504 0.000 1 1152 113 112 LYS HD2 H 1.681 0.000 1 1153 113 112 LYS HD3 H 1.681 0.000 1 1154 113 112 LYS CA C 59.134 0.000 1 1155 113 112 LYS CB C 32.766 0.000 1 1156 113 112 LYS CG C 24.593 0.000 1 1157 113 112 LYS CD C 29.053 0.000 1 1158 113 112 LYS N N 120.790 0.000 1 1159 114 113 LYS H H 8.119 0.000 1 1160 114 113 LYS HA H 4.263 0.000 1 1161 114 113 LYS HB2 H 1.830 0.000 1 1162 114 113 LYS HB3 H 1.830 0.000 1 1163 114 113 LYS HG2 H 1.430 0.000 1 1164 114 113 LYS HG3 H 1.430 0.000 1 1165 114 113 LYS HD2 H 1.676 0.000 1 1166 114 113 LYS HD3 H 1.676 0.000 1 1167 114 113 LYS CA C 57.185 0.000 1 1168 114 113 LYS CB C 32.857 0.000 1 1169 114 113 LYS CG C 24.621 0.000 1 1170 114 113 LYS CD C 29.082 0.000 1 1171 114 113 LYS N N 121.728 0.000 1 1172 115 114 ALA H H 8.178 0.000 1 1173 115 114 ALA HA H 4.268 0.000 1 1174 115 114 ALA HB H 1.517 0.000 1 1175 115 114 ALA CA C 53.035 0.000 1 1176 115 114 ALA CB C 19.038 0.000 1 1177 115 114 ALA N N 124.228 0.000 1 1178 116 115 GLN H H 8.237 0.000 1 1179 116 115 GLN HA H 4.248 0.000 1 1180 116 115 GLN HB2 H 2.075 0.000 1 1181 116 115 GLN HB3 H 2.075 0.000 1 1182 116 115 GLN HG2 H 2.419 0.000 1 1183 116 115 GLN HG3 H 2.419 0.000 1 1184 116 115 GLN CA C 56.549 0.000 1 1185 116 115 GLN CG C 34.036 0.000 1 1186 116 115 GLN N N 119.228 0.000 1 1187 117 116 GLN H H 8.266 0.000 1 1188 117 116 GLN HA H 4.269 0.000 1 1189 117 116 GLN HB2 H 2.018 0.000 1 1190 117 116 GLN HB3 H 2.018 0.000 1 1191 117 116 GLN HG2 H 2.383 0.000 1 1192 117 116 GLN HG3 H 2.383 0.000 1 1193 117 116 GLN CA C 56.324 0.000 1 1194 117 116 GLN CB C 29.606 0.000 1 1195 117 116 GLN CG C 33.976 0.000 1 1196 117 116 GLN N N 120.478 0.000 1 1197 118 117 ALA H H 8.266 0.000 1 1198 118 117 ALA HA H 4.276 0.000 1 1199 118 117 ALA HB H 1.415 0.000 1 1200 118 117 ALA CA C 52.837 0.000 1 1201 118 117 ALA CB C 19.062 0.000 1 1202 118 117 ALA N N 124.852 0.000 1 1203 119 118 ALA H H 8.163 0.000 1 1204 119 118 ALA HA H 4.294 0.000 1 1205 119 118 ALA HB H 1.404 0.000 1 1206 119 118 ALA CA C 52.637 0.000 1 1207 119 118 ALA CB C 19.201 0.000 1 1208 119 118 ALA N N 122.978 0.000 1 1209 120 119 ALA H H 8.163 0.000 1 1210 120 119 ALA HA H 4.277 0.000 1 1211 120 119 ALA HB H 1.393 0.000 1 1212 120 119 ALA CA C 52.736 0.000 1 1213 120 119 ALA CB C 19.167 0.000 1 1214 120 119 ALA N N 122.665 0.000 1 1215 121 120 ASP H H 8.252 0.000 1 1216 121 120 ASP HA H 4.682 0.000 1 1217 121 120 ASP HB2 H 2.718 0.000 1 1218 121 120 ASP HB3 H 2.718 0.000 1 1219 121 120 ASP CA C 54.264 0.000 1 1220 121 120 ASP CB C 41.128 0.000 1 1221 121 120 ASP N N 119.228 0.000 1 1222 122 121 THR H H 8.075 0.000 1 1223 122 121 THR HA H 4.358 0.000 1 1224 122 121 THR HB H 4.358 0.000 1 1225 122 121 THR HG2 H 1.194 0.000 1 1226 122 121 THR CA C 61.971 0.000 1 1227 122 121 THR CB C 69.586 0.101 1 1228 122 121 THR CG2 C 21.619 0.000 1 1229 122 121 THR N N 113.602 0.000 1 1230 123 122 GLY H H 8.414 0.000 1 1231 123 122 GLY HA2 H 3.934 0.000 1 1232 123 122 GLY HA3 H 3.976 0.000 1 1233 123 122 GLY CA C 45.603 0.000 1 1234 123 122 GLY N N 110.478 0.000 1 1235 124 123 ASN H H 8.266 0.000 1 1236 124 123 ASN HA H 4.608 0.000 1 1237 124 123 ASN HB2 H 2.840 0.000 1 1238 124 123 ASN HB3 H 2.840 0.000 1 1239 124 123 ASN CA C 54.733 0.000 1 1240 124 123 ASN CB C 38.538 0.000 1 1241 124 123 ASN N N 118.602 0.000 1 1242 125 124 ASN H H 8.443 0.000 1 1243 125 124 ASN HA H 4.724 0.000 1 1244 125 124 ASN HB2 H 2.798 0.000 1 1245 125 124 ASN HB3 H 2.798 0.000 1 1246 125 124 ASN CA C 53.453 0.000 1 1247 125 124 ASN CB C 38.813 0.000 1 1248 125 124 ASN N N 119.228 0.000 1 1249 126 125 SER H H 8.266 0.000 1 1250 126 125 SER HA H 4.388 0.000 1 1251 126 125 SER HB2 H 3.887 0.000 1 1252 126 125 SER HB3 H 3.887 0.000 1 1253 126 125 SER CA C 58.851 0.000 1 1254 126 125 SER CB C 63.926 0.000 1 1255 126 125 SER N N 115.790 0.000 1 1256 127 126 GLN H H 8.355 0.000 1 1257 127 126 GLN HA H 4.323 0.000 1 1258 127 126 GLN HB2 H 1.964 0.000 1 1259 127 126 GLN HB3 H 1.964 0.000 1 1260 127 126 GLN HG2 H 2.346 0.000 1 1261 127 126 GLN HG3 H 2.298 0.000 1 1262 127 126 GLN CA C 56.223 0.000 1 1263 127 126 GLN CB C 29.168 0.000 1 1264 127 126 GLN CG C 33.774 0.000 1 1265 127 126 GLN N N 121.728 0.000 1 1266 128 127 VAL H H 7.986 0.000 1 1267 128 127 VAL HA H 4.109 0.000 1 1268 128 127 VAL HB H 2.023 0.000 1 1269 128 127 VAL HG1 H 0.935 0.000 1 1270 128 127 VAL HG2 H 0.947 0.000 1 1271 128 127 VAL CA C 62.665 0.000 1 1272 128 127 VAL CB C 32.769 0.000 1 1273 128 127 VAL CG1 C 21.110 0.000 1 1274 128 127 VAL CG2 C 20.512 0.000 1 1275 128 127 VAL N N 119.852 0.000 1 1276 129 128 SER H H 8.252 0.000 1 1277 129 128 SER HA H 4.136 0.000 1 1278 129 128 SER HB2 H 3.839 0.000 1 1279 129 128 SER HB3 H 3.839 0.000 1 1280 129 128 SER CA C 58.404 0.000 1 1281 129 128 SER CB C 63.755 0.000 1 1282 129 128 SER N N 117.978 0.000 1 1283 130 129 GLN H H 8.355 0.000 1 1284 130 129 GLN HA H 4.355 0.000 1 1285 130 129 GLN HB2 H 1.995 0.000 1 1286 130 129 GLN HB3 H 1.995 0.000 1 1287 130 129 GLN HG2 H 2.333 0.000 1 1288 130 129 GLN HG3 H 2.333 0.000 1 1289 130 129 GLN CA C 56.150 0.000 1 1290 130 129 GLN CB C 29.373 0.000 1 1291 130 129 GLN CG C 34.034 0.000 1 1292 130 129 GLN N N 121.728 0.000 1 1293 131 130 ASN H H 8.252 0.000 1 1294 131 130 ASN HA H 4.632 0.000 1 1295 131 130 ASN CA C 53.568 0.000 1 1296 131 130 ASN N N 118.290 0.000 1 1297 132 131 TYR H H 7.957 0.000 1 1298 132 131 TYR HA H 4.431 0.000 1 1299 132 131 TYR HB2 H 2.826 0.000 1 1300 132 131 TYR HB3 H 2.826 0.000 1 1301 132 131 TYR HE1 H 6.954 0.000 1 1302 132 131 TYR HE2 H 6.954 0.000 1 1303 132 131 TYR CA C 58.185 0.000 1 1304 132 131 TYR CB C 38.492 0.000 1 1305 132 131 TYR CE1 C 118.192 0.000 1 1306 132 131 TYR CE2 C 118.192 0.000 1 1307 132 131 TYR N N 120.165 0.000 1 stop_ save_