data_18716 ####################### # 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-phosphatidyl-L-serine ; _BMRB_accession_number 18716 _BMRB_flat_file_name bmr18716.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" 749 "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 18715 'HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidylcholine' 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 'HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidyl-L-serine' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 myr(-) matrix protein' $MA 8SP $entity_8SP 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 18715 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_8SP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine _BMRB_code 8SP _PDB_code 8SP _Molecular_mass 511.543 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1A C1A C . 0 . ? C1B C1B C . 0 . ? C1C C1C C . 0 . ? C1G C1G C . 0 . ? C2A C2A C . 0 . ? C2B C2B C . 0 . ? C2C C2C C . 0 . ? C2G C2G C . 0 . ? C3A C3A C . 0 . ? C3B C3B C . 0 . ? C3C C3C C . 0 . ? C3G C3G C . 0 . ? C4A C4A C . 0 . ? C4B C4B C . 0 . ? C5A C5A C . 0 . ? C5B C5B C . 0 . ? C6A C6A C . 0 . ? C6B C6B C . 0 . ? C7A C7A C . 0 . ? C7B C7B C . 0 . ? C8A C8A C . 0 . ? C8B C8B C . 0 . ? H11C H11C H . 0 . ? H11G H11G H . 0 . ? H12A H12A H . 0 . ? H12B H12B H . 0 . ? H13A H13A H . 0 . ? H13B H13B H . 0 . ? H13G H13G H . 0 . ? H14A H14A H . 0 . ? H14B H14B H . 0 . ? H15A H15A H . 0 . ? H15B H15B H . 0 . ? H16A H16A H . 0 . ? H16B H16B H . 0 . ? H17A H17A H . 0 . ? H17B H17B H . 0 . ? H18A H18A H . 0 . ? H18B H18B H . 0 . ? H21C H21C H . 0 . ? H21G H21G H . 0 . ? H22A H22A H . 0 . ? H22B H22B H . 0 . ? H23A H23A H . 0 . ? H23B H23B H . 0 . ? H23G H23G H . 0 . ? H24A H24A H . 0 . ? H24B H24B H . 0 . ? H25A H25A H . 0 . ? H25B H25B H . 0 . ? H26A H26A H . 0 . ? H26B H26B H . 0 . ? H27A H27A H . 0 . ? H27B H27B H . 0 . ? H28A H28A H . 0 . ? H28B H28B H . 0 . ? H2C H2C H . 0 . ? H2G H2G H . 0 . ? H38A H38A H . 0 . ? H38B H38B H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? HN HN H . 0 . ? HNA HNA H . 0 . ? N N N . 0 . ? O0C O0C O . 0 . ? O1A O1A O . 0 . ? O1B O1B O . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O2P O2P O . 0 . ? O3C O3C O . 0 . ? O3D O3D O . 0 . ? O3G O3G O . 0 . ? O3P O3P O . 0 . ? P P 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 N C2C ? ? SING N HN ? ? SING N HNA ? ? SING P O0C ? ? DOUB P O2P ? ? SING P O3G ? ? SING P O3P ? ? SING O0C C1C ? ? DOUB C1A O1A ? ? SING C1A O1G ? ? SING C1A C2A ? ? DOUB C1B O1B ? ? SING C1B C2B ? ? SING C1B O2G ? ? SING C1C C2C ? ? SING C1C H11C ? ? SING C1C H21C ? ? SING C1G O1G ? ? SING C1G C2G ? ? SING C1G H11G ? ? SING C1G H21G ? ? SING C2A C3A ? ? SING C2A H12A ? ? SING C2A H22A ? ? SING C2B C3B ? ? SING C2B H12B ? ? SING C2B H22B ? ? SING C2C C3C ? ? SING C2C H2C ? ? SING C2G O2G ? ? SING C2G C3G ? ? SING C2G H2G ? ? SING C3A C4A ? ? SING C3A H13A ? ? SING C3A H23A ? ? SING C3B C4B ? ? SING C3B H13B ? ? SING C3B H23B ? ? DOUB C3C O3C ? ? SING C3C O3D ? ? SING C3G O3G ? ? SING C3G H13G ? ? SING C3G H23G ? ? SING C4A C5A ? ? SING C4A H14A ? ? SING C4A H24A ? ? SING C4B C5B ? ? SING C4B H14B ? ? SING C4B H24B ? ? SING C5A C6A ? ? SING C5A H15A ? ? SING C5A H25A ? ? SING C5B C6B ? ? SING C5B H15B ? ? SING C5B H25B ? ? SING C6A C7A ? ? SING C6A H16A ? ? SING C6A H26A ? ? SING C6B C7B ? ? SING C6B H16B ? ? SING C6B H26B ? ? SING C7A C8A ? ? SING C7A H17A ? ? SING C7A H27A ? ? SING C7B C8B ? ? SING C7B H17B ? ? SING C7B H27B ? ? SING C8A H18A ? ? SING C8A H28A ? ? SING C8A H38A ? ? SING C8B H18B ? ? SING C8B H28B ? ? SING C8B H38B ? ? SING O3D H41 ? ? SING O3P H42 ? ? stop_ _Mol_thiol_state . _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 11676 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 $MA 'recombinant technology' . . . . pET21 $entity_8SP '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_8SP . 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_8SP . 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 'HIV-1 myr(-) matrix protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 1 GLY HA2 H 3.973 0.000 1 2 2 1 GLY HA3 H 3.973 0.000 1 3 2 1 GLY CA C 47.792 0.000 1 4 2 1 GLY N N 110.842 0.000 1 5 3 2 ALA H H 8.183 0.000 1 6 3 2 ALA HA H 4.328 0.000 1 7 3 2 ALA HB H 1.538 0.000 1 8 3 2 ALA CA C 52.537 0.000 1 9 3 2 ALA CB C 17.251 0.000 1 10 3 2 ALA N N 123.842 0.000 1 11 4 3 ARG H H 8.429 0.000 1 12 4 3 ARG HA H 4.256 0.000 1 13 4 3 ARG HB2 H 1.788 0.000 1 14 4 3 ARG HB3 H 1.788 0.000 1 15 4 3 ARG HG2 H 1.664 0.000 1 16 4 3 ARG HG3 H 1.664 0.000 1 17 4 3 ARG HD2 H 3.187 0.000 1 18 4 3 ARG HD3 H 3.187 0.000 1 19 4 3 ARG CA C 55.965 0.000 1 20 4 3 ARG CB C 30.961 0.000 1 21 4 3 ARG CG C 27.313 0.000 1 22 4 3 ARG CD C 43.427 0.000 1 23 4 3 ARG N N 120.165 0.000 1 24 5 4 ALA H H 8.370 0.000 1 25 5 4 ALA HA H 4.282 0.000 1 26 5 4 ALA HB H 1.328 0.000 1 27 5 4 ALA CA C 52.371 0.000 1 28 5 4 ALA CB C 19.672 0.000 1 29 5 4 ALA N N 125.165 0.000 1 30 6 5 SER H H 8.134 0.000 1 31 6 5 SER HA H 4.479 0.000 1 32 6 5 SER HB2 H 3.790 0.000 1 33 6 5 SER HB3 H 3.790 0.000 1 34 6 5 SER CA C 57.804 0.000 1 35 6 5 SER CB C 64.034 0.000 1 36 6 5 SER N N 114.540 0.000 1 37 7 6 VAL H H 8.119 0.000 1 38 7 6 VAL HA H 3.617 0.000 1 39 7 6 VAL HB H 1.828 0.000 1 40 7 6 VAL HG1 H 0.819 0.000 1 41 7 6 VAL HG2 H 0.751 0.000 1 42 7 6 VAL CA C 65.711 0.014 1 43 7 6 VAL CB C 31.936 0.001 1 44 7 6 VAL CG1 C 22.353 0.000 1 45 7 6 VAL CG2 C 22.458 0.000 1 46 7 6 VAL N N 121.415 0.000 1 47 8 7 LEU H H 7.382 0.000 1 48 8 7 LEU HA H 4.914 0.000 1 49 8 7 LEU HB2 H 1.460 0.000 1 50 8 7 LEU HB3 H 1.460 0.000 1 51 8 7 LEU HG H 1.063 0.000 1 52 8 7 LEU HD1 H 0.201 0.007 1 53 8 7 LEU HD2 H 0.318 0.003 1 54 8 7 LEU CA C 52.475 0.009 1 55 8 7 LEU CB C 44.314 0.006 1 56 8 7 LEU CG C 26.109 0.000 1 57 8 7 LEU CD1 C 26.286 0.032 1 58 8 7 LEU CD2 C 23.058 0.057 1 59 8 7 LEU N N 115.478 0.000 1 60 9 8 SER H H 9.166 0.000 1 61 9 8 SER HA H 4.606 0.000 1 62 9 8 SER HB2 H 3.980 0.000 1 63 9 8 SER HB3 H 3.980 0.000 1 64 9 8 SER CA C 57.197 0.000 1 65 9 8 SER CB C 65.426 0.000 1 66 9 8 SER N N 118.290 0.000 1 67 10 9 GLY H H 8.959 0.000 1 68 10 9 GLY HA2 H 3.861 0.000 1 69 10 9 GLY HA3 H 3.997 0.000 1 70 10 9 GLY CA C 47.674 0.000 1 71 10 9 GLY N N 109.228 0.000 1 72 11 10 GLY H H 8.782 0.000 1 73 11 10 GLY HA2 H 3.933 0.000 1 74 11 10 GLY HA3 H 4.009 0.000 1 75 11 10 GLY CA C 46.661 0.000 1 76 11 10 GLY N N 111.102 0.000 1 77 12 11 GLU H H 7.751 0.000 1 78 12 11 GLU HA H 3.950 0.000 1 79 12 11 GLU HB2 H 2.276 0.000 1 80 12 11 GLU HB3 H 1.786 0.000 1 81 12 11 GLU HG2 H 2.129 0.000 1 82 12 11 GLU HG3 H 2.582 0.000 1 83 12 11 GLU CA C 59.096 0.000 1 84 12 11 GLU CB C 31.290 0.000 1 85 12 11 GLU CG C 37.323 0.000 1 86 12 11 GLU N N 120.165 0.000 1 87 13 12 LEU H H 8.340 0.000 1 88 13 12 LEU HA H 4.108 0.000 1 89 13 12 LEU HB2 H 1.390 0.000 1 90 13 12 LEU HB3 H 1.390 0.000 1 91 13 12 LEU HG H 1.702 0.000 1 92 13 12 LEU HD1 H 0.960 0.000 1 93 13 12 LEU HD2 H 0.947 0.000 1 94 13 12 LEU CA C 58.062 0.000 1 95 13 12 LEU CB C 40.936 0.000 1 96 13 12 LEU CG C 27.221 0.000 1 97 13 12 LEU CD1 C 25.304 0.000 1 98 13 12 LEU CD2 C 24.110 0.000 1 99 13 12 LEU N N 121.415 0.000 1 100 14 13 ASP H H 7.574 0.000 1 101 14 13 ASP HA H 4.393 0.000 1 102 14 13 ASP HB2 H 2.713 0.000 1 103 14 13 ASP HB3 H 2.713 0.000 1 104 14 13 ASP CA C 57.136 0.000 1 105 14 13 ASP CB C 41.086 0.000 1 106 14 13 ASP N N 116.415 0.000 1 107 15 14 LYS H H 7.117 0.000 1 108 15 14 LYS HA H 4.046 0.000 1 109 15 14 LYS HB2 H 2.128 0.000 1 110 15 14 LYS HB3 H 1.887 0.000 1 111 15 14 LYS HG2 H 1.610 0.000 1 112 15 14 LYS HG3 H 1.610 0.000 1 113 15 14 LYS HD2 H 1.672 0.000 1 114 15 14 LYS HD3 H 1.672 0.000 1 115 15 14 LYS HE2 H 2.960 0.000 1 116 15 14 LYS HE3 H 2.960 0.000 1 117 15 14 LYS CA C 58.402 0.000 1 118 15 14 LYS CB C 32.359 0.000 1 119 15 14 LYS CG C 24.625 0.000 1 120 15 14 LYS CD C 28.946 0.000 1 121 15 14 LYS CE C 42.375 0.000 1 122 15 14 LYS N N 115.478 0.000 1 123 16 15 TRP H H 8.646 0.000 1 124 16 15 TRP HA H 4.025 0.000 1 125 16 15 TRP HB2 H 3.181 0.000 1 126 16 15 TRP HB3 H 3.550 0.000 1 127 16 15 TRP HD1 H 6.514 0.000 1 128 16 15 TRP HE1 H 9.326 0.000 1 129 16 15 TRP HE3 H 7.129 0.000 1 130 16 15 TRP HZ2 H 7.103 0.000 1 131 16 15 TRP HZ3 H 6.452 0.000 1 132 16 15 TRP CA C 60.286 0.000 1 133 16 15 TRP CB C 31.113 0.000 1 134 16 15 TRP CD1 C 124.043 0.000 1 135 16 15 TRP CE3 C 119.504 0.000 1 136 16 15 TRP CZ2 C 113.953 0.000 1 137 16 15 TRP CZ3 C 122.324 0.000 1 138 16 15 TRP N N 121.693 0.000 1 139 16 15 TRP NE1 N 126.482 0.000 1 140 17 16 GLU H H 7.571 0.000 1 141 17 16 GLU HA H 4.691 0.000 1 142 17 16 GLU HB2 H 2.235 0.000 1 143 17 16 GLU HB3 H 2.103 0.000 1 144 17 16 GLU HG2 H 2.886 0.000 1 145 17 16 GLU HG3 H 2.487 0.000 1 146 17 16 GLU CA C 56.769 0.000 1 147 17 16 GLU CB C 29.745 0.000 1 148 17 16 GLU CG C 38.387 0.000 1 149 17 16 GLU N N 127.710 0.000 1 150 18 17 LYS H H 7.456 0.000 1 151 18 17 LYS HA H 4.497 0.000 1 152 18 17 LYS HB2 H 2.005 0.000 1 153 18 17 LYS HB3 H 1.781 0.000 1 154 18 17 LYS HG2 H 1.589 0.000 1 155 18 17 LYS HG3 H 1.589 0.000 1 156 18 17 LYS HD2 H 1.666 0.000 1 157 18 17 LYS HD3 H 1.666 0.000 1 158 18 17 LYS HE2 H 3.056 0.000 1 159 18 17 LYS HE3 H 3.056 0.000 1 160 18 17 LYS CA C 55.569 0.000 1 161 18 17 LYS CB C 33.939 0.000 1 162 18 17 LYS CG C 25.407 0.000 1 163 18 17 LYS CD C 29.060 0.000 1 164 18 17 LYS CE C 42.389 0.000 1 165 18 17 LYS N N 115.790 0.000 1 166 19 18 ILE H H 7.633 0.000 1 167 19 18 ILE HA H 3.557 0.000 1 168 19 18 ILE HB H 1.592 0.000 1 169 19 18 ILE HG12 H 1.961 0.000 1 170 19 18 ILE HG13 H 0.851 0.000 1 171 19 18 ILE HG2 H 0.565 0.041 1 172 19 18 ILE HD1 H 0.486 0.005 1 173 19 18 ILE CA C 63.120 0.013 1 174 19 18 ILE CB C 38.182 0.006 1 175 19 18 ILE CG1 C 27.919 0.191 1 176 19 18 ILE CG2 C 16.704 0.035 1 177 19 18 ILE CD1 C 14.968 0.008 1 178 19 18 ILE N N 124.228 0.000 1 179 20 19 ARG H H 8.031 0.000 1 180 20 19 ARG HA H 4.428 0.000 1 181 20 19 ARG HB2 H 1.832 0.000 1 182 20 19 ARG HB3 H 1.671 0.000 1 183 20 19 ARG HG2 H 1.773 0.000 1 184 20 19 ARG HG3 H 1.683 0.000 1 185 20 19 ARG HD2 H 3.311 0.000 1 186 20 19 ARG HD3 H 3.311 0.000 1 187 20 19 ARG CA C 56.495 0.000 1 188 20 19 ARG CB C 31.537 0.000 1 189 20 19 ARG CG C 28.781 0.000 1 190 20 19 ARG CD C 43.501 0.000 1 191 20 19 ARG N N 125.790 0.000 1 192 21 20 LEU H H 7.810 0.000 1 193 21 20 LEU HA H 3.431 0.000 1 194 21 20 LEU HB2 H 1.413 0.000 1 195 21 20 LEU HB3 H 1.228 0.002 1 196 21 20 LEU HG H 0.731 0.000 1 197 21 20 LEU HD1 H 0.237 0.004 1 198 21 20 LEU HD2 H -0.362 0.000 1 199 21 20 LEU CA C 58.235 0.004 1 200 21 20 LEU CB C 41.554 0.060 1 201 21 20 LEU CG C 28.175 0.000 1 202 21 20 LEU CD1 C 24.854 0.014 1 203 21 20 LEU CD2 C 21.744 0.000 1 204 21 20 LEU N N 120.165 0.000 1 205 22 21 ARG H H 8.974 0.000 1 206 22 21 ARG HA H 4.845 0.000 1 207 22 21 ARG HB2 H 1.843 0.000 1 208 22 21 ARG HB3 H 1.627 0.000 1 209 22 21 ARG HG2 H 1.540 0.000 1 210 22 21 ARG HG3 H 1.540 0.000 1 211 22 21 ARG HD2 H 3.185 0.000 1 212 22 21 ARG HD3 H 3.185 0.000 1 213 22 21 ARG CA C 52.844 0.000 1 214 22 21 ARG CB C 31.617 0.000 1 215 22 21 ARG CG C 26.607 0.000 1 216 22 21 ARG CD C 43.440 0.000 1 217 22 21 ARG N N 119.540 0.000 1 218 23 22 PRO HA H 4.360 0.000 1 219 23 22 PRO HB2 H 1.904 0.000 1 220 23 22 PRO HB3 H 2.249 0.000 1 221 23 22 PRO HG2 H 2.099 0.000 1 222 23 22 PRO HG3 H 2.099 0.000 1 223 23 22 PRO HD2 H 3.602 0.000 1 224 23 22 PRO HD3 H 3.602 0.000 1 225 23 22 PRO CA C 63.436 0.000 1 226 23 22 PRO CB C 31.565 0.000 1 227 23 22 PRO CG C 28.122 0.000 1 228 23 22 PRO CD C 50.485 0.000 1 229 24 23 GLY H H 9.138 0.000 1 230 24 23 GLY HA2 H 3.922 0.000 1 231 24 23 GLY HA3 H 3.804 0.000 1 232 24 23 GLY CA C 45.805 0.000 1 233 24 23 GLY N N 112.665 0.000 1 234 25 24 GLY H H 8.134 0.000 1 235 25 24 GLY HA2 H 4.132 0.000 1 236 25 24 GLY HA3 H 4.133 0.000 1 237 25 24 GLY CA C 44.572 0.000 1 238 25 24 GLY N N 107.978 0.000 1 239 26 25 LYS H H 8.665 0.000 1 240 26 25 LYS HA H 4.264 0.000 1 241 26 25 LYS HB2 H 1.787 0.000 1 242 26 25 LYS HB3 H 1.787 0.000 1 243 26 25 LYS HG2 H 1.450 0.000 1 244 26 25 LYS HG3 H 1.450 0.000 1 245 26 25 LYS CA C 56.853 0.000 1 246 26 25 LYS CB C 34.056 0.000 1 247 26 25 LYS CG C 25.363 0.000 1 248 26 25 LYS N N 117.665 0.000 1 249 27 26 LYS H H 7.817 0.000 1 250 27 26 LYS HA H 4.311 0.000 1 251 27 26 LYS HB2 H 1.801 0.000 1 252 27 26 LYS HB3 H 1.801 0.000 1 253 27 26 LYS HG2 H 1.632 0.000 1 254 27 26 LYS HG3 H 1.632 0.000 1 255 27 26 LYS HD2 H 1.813 0.000 1 256 27 26 LYS HD3 H 1.813 0.000 1 257 27 26 LYS CA C 57.211 0.000 1 258 27 26 LYS CB C 33.878 0.000 1 259 27 26 LYS CG C 25.868 0.000 1 260 27 26 LYS CD C 30.790 0.000 1 261 27 26 LYS N N 117.925 0.000 1 262 28 27 GLN H H 8.458 0.000 1 263 28 27 GLN HA H 4.816 0.000 1 264 28 27 GLN HB2 H 2.078 0.000 1 265 28 27 GLN HB3 H 1.918 0.000 1 266 28 27 GLN HG2 H 2.014 0.000 1 267 28 27 GLN HG3 H 2.014 0.000 1 268 28 27 GLN CA C 54.473 0.000 1 269 28 27 GLN CB C 34.054 0.000 1 270 28 27 GLN CG C 34.807 0.000 1 271 28 27 GLN N N 122.978 0.000 1 272 29 28 TYR H H 7.824 0.000 1 273 29 28 TYR HA H 3.732 0.000 1 274 29 28 TYR HB2 H 1.936 0.000 1 275 29 28 TYR HB3 H 1.556 0.000 1 276 29 28 TYR HD1 H 6.387 0.000 1 277 29 28 TYR HD2 H 6.387 0.000 1 278 29 28 TYR HE1 H 6.362 0.000 1 279 29 28 TYR HE2 H 6.362 0.000 1 280 29 28 TYR CA C 61.010 0.000 1 281 29 28 TYR CB C 37.216 0.000 1 282 29 28 TYR CD1 C 136.604 0.000 1 283 29 28 TYR CD2 C 136.604 0.000 1 284 29 28 TYR CE1 C 116.565 0.000 1 285 29 28 TYR CE2 C 116.565 0.000 1 286 29 28 TYR N N 119.540 0.000 1 287 30 29 LYS H H 10.610 0.000 1 288 30 29 LYS HA H 5.216 0.000 1 289 30 29 LYS HB2 H 1.929 0.000 1 290 30 29 LYS HB3 H 2.380 0.000 1 291 30 29 LYS HG2 H 1.666 0.000 1 292 30 29 LYS HG3 H 1.666 0.000 1 293 30 29 LYS HD2 H 1.778 0.000 1 294 30 29 LYS HD3 H 1.778 0.000 1 295 30 29 LYS CA C 54.065 0.000 1 296 30 29 LYS CB C 38.588 0.000 1 297 30 29 LYS CG C 24.645 0.000 1 298 30 29 LYS CD C 29.100 0.000 1 299 30 29 LYS N N 117.978 0.000 1 300 31 30 LEU H H 9.991 0.000 1 301 31 30 LEU HA H 4.181 0.000 1 302 31 30 LEU HB2 H 1.806 0.000 1 303 31 30 LEU HB3 H 1.782 0.000 1 304 31 30 LEU HG H 1.760 0.000 1 305 31 30 LEU HD1 H 0.974 0.000 1 306 31 30 LEU HD2 H 0.959 0.000 1 307 31 30 LEU CA C 59.234 0.000 1 308 31 30 LEU CB C 41.002 0.000 1 309 31 30 LEU CG C 27.208 0.000 1 310 31 30 LEU CD1 C 24.126 0.000 1 311 31 30 LEU CD2 C 24.040 0.000 1 312 31 30 LEU N N 128.602 0.000 1 313 32 31 LYS H H 8.399 0.000 1 314 32 31 LYS HA H 4.145 0.000 1 315 32 31 LYS HB2 H 1.786 0.000 1 316 32 31 LYS HB3 H 1.878 0.000 1 317 32 31 LYS HG2 H 1.634 0.000 1 318 32 31 LYS HG3 H 1.634 0.000 1 319 32 31 LYS HD2 H 1.461 0.000 1 320 32 31 LYS HD3 H 1.461 0.000 1 321 32 31 LYS HE2 H 3.030 0.000 1 322 32 31 LYS HE3 H 3.030 0.000 1 323 32 31 LYS CA C 59.097 0.000 1 324 32 31 LYS CB C 31.559 0.000 1 325 32 31 LYS CG C 24.535 0.000 1 326 32 31 LYS CD C 29.601 0.000 1 327 32 31 LYS CE C 42.318 0.000 1 328 32 31 LYS N N 115.165 0.000 1 329 33 32 HIS H H 8.193 0.000 1 330 33 32 HIS HA H 4.604 0.000 1 331 33 32 HIS HB2 H 3.893 0.000 1 332 33 32 HIS HB3 H 3.898 0.000 1 333 33 32 HIS HD2 H 7.182 0.000 1 334 33 32 HIS HE1 H 7.677 0.000 1 335 33 32 HIS CA C 62.891 0.000 1 336 33 32 HIS CB C 32.784 0.000 1 337 33 32 HIS CD2 C 117.159 0.000 1 338 33 32 HIS CE1 C 137.639 0.000 1 339 33 32 HIS N N 119.540 0.000 1 340 34 33 ILE H H 7.898 0.000 1 341 34 33 ILE HA H 3.794 0.000 1 342 34 33 ILE HB H 2.176 0.000 1 343 34 33 ILE HG12 H 1.379 0.004 1 344 34 33 ILE HG13 H 0.677 0.000 1 345 34 33 ILE HG2 H 0.721 0.042 1 346 34 33 ILE HD1 H -0.140 0.000 1 347 34 33 ILE CA C 63.848 0.011 1 348 34 33 ILE CB C 36.979 0.026 1 349 34 33 ILE CG1 C 28.931 0.000 1 350 34 33 ILE CG2 C 17.573 0.014 1 351 34 33 ILE CD1 C 11.712 0.000 1 352 34 33 ILE N N 119.540 0.000 1 353 35 34 VAL H H 7.706 0.000 1 354 35 34 VAL HA H 3.612 0.000 1 355 35 34 VAL HB H 2.144 0.000 1 356 35 34 VAL HG1 H 1.062 0.000 1 357 35 34 VAL HG2 H 1.026 0.000 1 358 35 34 VAL CA C 66.746 0.000 1 359 35 34 VAL CB C 32.142 0.000 1 360 35 34 VAL CG1 C 21.658 0.000 1 361 35 34 VAL CG2 C 22.130 0.000 1 362 35 34 VAL N N 122.040 0.000 1 363 36 35 TRP H H 8.452 0.000 1 364 36 35 TRP HA H 4.233 0.000 1 365 36 35 TRP HB2 H 3.495 0.000 1 366 36 35 TRP HB3 H 3.495 0.000 1 367 36 35 TRP HD1 H 7.427 0.000 1 368 36 35 TRP HE1 H 10.286 0.000 1 369 36 35 TRP HE3 H 6.922 0.000 1 370 36 35 TRP HZ2 H 7.439 0.000 1 371 36 35 TRP HH2 H 7.382 0.000 1 372 36 35 TRP CA C 62.110 0.000 1 373 36 35 TRP CB C 28.412 0.000 1 374 36 35 TRP CD1 C 127.807 0.000 1 375 36 35 TRP CZ2 C 114.684 0.000 1 376 36 35 TRP CZ3 C 119.764 0.000 1 377 36 35 TRP CH2 C 124.053 0.000 1 378 36 35 TRP N N 119.986 0.000 1 379 36 35 TRP NE1 N 131.102 0.000 1 380 37 36 ALA H H 8.311 0.000 1 381 37 36 ALA HA H 3.392 0.014 1 382 37 36 ALA HB H 1.539 0.031 1 383 37 36 ALA CA C 55.137 0.000 1 384 37 36 ALA CB C 17.430 0.006 1 385 37 36 ALA N N 120.478 0.000 1 386 38 37 SER H H 8.259 0.000 1 387 38 37 SER HA H 3.906 0.000 1 388 38 37 SER HB2 H 3.909 0.000 1 389 38 37 SER HB3 H 3.909 0.000 1 390 38 37 SER CA C 62.801 0.000 1 391 38 37 SER CB C 62.829 0.000 1 392 38 37 SER N N 111.415 0.000 1 393 39 38 ARG H H 7.559 0.000 1 394 39 38 ARG HA H 4.146 0.000 1 395 39 38 ARG HB2 H 1.882 0.000 1 396 39 38 ARG HB3 H 1.882 0.000 1 397 39 38 ARG HG2 H 1.761 0.000 1 398 39 38 ARG HG3 H 1.761 0.000 1 399 39 38 ARG HD2 H 3.207 0.021 1 400 39 38 ARG HD3 H 3.196 0.000 1 401 39 38 ARG CA C 58.410 0.000 1 402 39 38 ARG CB C 30.008 0.000 1 403 39 38 ARG CG C 27.216 0.000 1 404 39 38 ARG CD C 43.237 0.009 1 405 39 38 ARG N N 119.852 0.000 1 406 40 39 GLU H H 8.222 0.000 1 407 40 39 GLU HA H 3.787 0.000 1 408 40 39 GLU HB2 H 1.567 0.000 1 409 40 39 GLU HB3 H 1.567 0.000 1 410 40 39 GLU CA C 58.281 0.000 1 411 40 39 GLU CB C 29.674 0.000 1 412 40 39 GLU CG C 34.363 0.000 1 413 40 39 GLU N N 121.102 0.000 1 414 41 40 LEU H H 8.016 0.000 1 415 41 40 LEU HA H 3.960 0.009 1 416 41 40 LEU HB2 H 1.893 0.000 1 417 41 40 LEU HB3 H 1.430 0.000 1 418 41 40 LEU HG H 1.987 0.015 1 419 41 40 LEU HD1 H 0.856 0.009 1 420 41 40 LEU HD2 H 0.785 0.005 1 421 41 40 LEU CA C 58.297 0.023 1 422 41 40 LEU CB C 40.180 0.026 1 423 41 40 LEU CG C 26.867 0.016 1 424 41 40 LEU CD1 C 26.712 0.073 1 425 41 40 LEU CD2 C 22.760 0.041 1 426 41 40 LEU N N 117.040 0.000 1 427 42 41 GLU H H 7.559 0.000 1 428 42 41 GLU HA H 4.127 0.000 1 429 42 41 GLU HB2 H 2.130 0.000 1 430 42 41 GLU HB3 H 1.673 0.000 1 431 42 41 GLU HG2 H 2.543 0.000 1 432 42 41 GLU HG3 H 2.173 0.000 1 433 42 41 GLU CA C 59.571 0.000 1 434 42 41 GLU CB C 29.665 0.000 1 435 42 41 GLU CG C 36.819 0.000 1 436 42 41 GLU N N 117.352 0.000 1 437 43 42 ARG H H 7.647 0.000 1 438 43 42 ARG HA H 4.027 0.000 1 439 43 42 ARG HB2 H 1.662 0.000 1 440 43 42 ARG HB3 H 2.124 0.000 1 441 43 42 ARG HG2 H 1.441 0.000 1 442 43 42 ARG HG3 H 1.669 0.000 1 443 43 42 ARG HD2 H 3.040 0.000 1 444 43 42 ARG HD3 H 3.040 0.000 1 445 43 42 ARG CA C 58.601 0.000 1 446 43 42 ARG CB C 29.665 0.000 1 447 43 42 ARG CG C 27.281 0.000 1 448 43 42 ARG CD C 43.634 0.000 1 449 43 42 ARG N N 119.540 0.000 1 450 44 43 PHE H H 7.529 0.000 1 451 44 43 PHE HA H 4.616 0.007 1 452 44 43 PHE HB2 H 3.476 0.014 1 453 44 43 PHE HB3 H 2.755 0.019 1 454 44 43 PHE HD1 H 7.234 0.007 1 455 44 43 PHE HD2 H 7.234 0.007 1 456 44 43 PHE HE1 H 7.035 0.000 1 457 44 43 PHE HE2 H 7.035 0.000 1 458 44 43 PHE CA C 57.425 0.057 1 459 44 43 PHE CB C 39.154 0.046 1 460 44 43 PHE CD1 C 131.232 0.026 1 461 44 43 PHE CD2 C 131.232 0.026 1 462 44 43 PHE CE1 C 133.391 0.000 1 463 44 43 PHE CE2 C 133.391 0.000 1 464 44 43 PHE N N 117.665 0.000 1 465 45 44 ALA H H 7.928 0.000 1 466 45 44 ALA HA H 4.015 0.000 1 467 45 44 ALA HB H 1.466 0.041 1 468 45 44 ALA CA C 53.414 0.000 1 469 45 44 ALA CB C 16.281 0.005 1 470 45 44 ALA N N 118.915 0.000 1 471 46 45 VAL H H 7.765 0.000 1 472 46 45 VAL HA H 4.095 0.000 1 473 46 45 VAL HB H 1.822 0.000 1 474 46 45 VAL HG1 H 0.809 0.000 1 475 46 45 VAL HG2 H 0.894 0.008 1 476 46 45 VAL CA C 60.789 0.000 1 477 46 45 VAL CB C 33.420 0.000 1 478 46 45 VAL CG1 C 21.579 0.000 1 479 46 45 VAL CG2 C 21.600 0.039 1 480 46 45 VAL N N 119.540 0.000 1 481 47 46 ASN H H 8.399 0.000 1 482 47 46 ASN HA H 4.646 0.000 1 483 47 46 ASN HB2 H 2.878 0.000 1 484 47 46 ASN HB3 H 2.878 0.000 1 485 47 46 ASN CA C 50.997 0.000 1 486 47 46 ASN CB C 39.086 0.000 1 487 47 46 ASN N N 125.790 0.000 1 488 48 47 PRO HA H 4.222 0.000 1 489 48 47 PRO HB2 H 2.361 0.000 1 490 48 47 PRO HB3 H 2.025 0.000 1 491 48 47 PRO HG2 H 2.010 0.000 1 492 48 47 PRO HG3 H 1.786 0.000 1 493 48 47 PRO HD2 H 3.887 0.000 1 494 48 47 PRO HD3 H 4.253 0.000 1 495 48 47 PRO CA C 64.314 0.000 1 496 48 47 PRO CB C 31.740 0.000 1 497 48 47 PRO CG C 27.814 0.000 1 498 48 47 PRO CD C 50.938 0.000 1 499 49 48 GLY H H 8.620 0.000 1 500 49 48 GLY HA2 H 3.816 0.000 1 501 49 48 GLY HA3 H 3.770 0.000 1 502 49 48 GLY CA C 46.530 0.000 1 503 49 48 GLY N N 108.290 0.000 1 504 50 49 LEU H H 7.765 0.000 1 505 50 49 LEU HA H 4.137 0.000 1 506 50 49 LEU HB2 H 1.722 0.000 1 507 50 49 LEU HB3 H 1.477 0.000 1 508 50 49 LEU HG H 1.753 0.000 1 509 50 49 LEU HD1 H 0.950 0.000 1 510 50 49 LEU HD2 H 0.911 0.000 1 511 50 49 LEU CA C 57.299 0.000 1 512 50 49 LEU CB C 41.563 0.000 1 513 50 49 LEU CG C 27.825 0.000 1 514 50 49 LEU CD1 C 25.758 0.000 1 515 50 49 LEU CD2 C 22.435 0.000 1 516 50 49 LEU N N 121.728 0.000 1 517 51 50 LEU H H 7.412 0.000 1 518 51 50 LEU HA H 4.226 0.000 1 519 51 50 LEU HB2 H 1.385 0.000 1 520 51 50 LEU HB3 H 1.784 0.000 1 521 51 50 LEU HG H 1.625 0.000 1 522 51 50 LEU HD1 H 0.835 0.000 1 523 51 50 LEU HD2 H 0.807 0.000 1 524 51 50 LEU CA C 56.507 0.000 1 525 51 50 LEU CB C 42.490 0.000 1 526 51 50 LEU CG C 27.081 0.000 1 527 51 50 LEU CD1 C 23.088 0.000 1 528 51 50 LEU CD2 C 25.800 0.000 1 529 51 50 LEU N N 112.040 0.000 1 530 52 51 GLU H H 7.500 0.000 1 531 52 51 GLU HA H 4.055 0.000 1 532 52 51 GLU HB2 H 2.133 0.000 1 533 52 51 GLU HB3 H 2.176 0.000 1 534 52 51 GLU HG2 H 2.272 0.000 1 535 52 51 GLU HG3 H 2.315 0.000 1 536 52 51 GLU CA C 58.384 0.000 1 537 52 51 GLU CB C 31.058 0.000 1 538 52 51 GLU CG C 37.142 0.000 1 539 52 51 GLU N N 114.540 0.000 1 540 53 52 THR H H 7.235 0.000 1 541 53 52 THR HA H 4.402 0.000 1 542 53 52 THR HB H 4.544 0.000 1 543 53 52 THR HG2 H 1.086 0.000 1 544 53 52 THR CA C 58.306 0.000 1 545 53 52 THR CB C 73.222 0.000 1 546 53 52 THR CG2 C 21.482 0.000 1 547 53 52 THR N N 122.978 0.000 1 548 54 53 SER H H 9.313 0.000 1 549 54 53 SER HA H 4.043 0.000 1 550 54 53 SER HB2 H 3.752 0.000 1 551 54 53 SER HB3 H 3.752 0.000 1 552 54 53 SER CA C 62.657 0.000 1 553 54 53 SER CB C 62.562 0.000 1 554 54 53 SER N N 119.228 0.000 1 555 55 54 GLU H H 8.975 0.000 1 556 55 54 GLU HA H 4.069 0.000 1 557 55 54 GLU HB2 H 2.014 0.000 1 558 55 54 GLU HB3 H 2.000 0.000 1 559 55 54 GLU HG2 H 2.363 0.000 1 560 55 54 GLU HG3 H 2.307 0.000 1 561 55 54 GLU CA C 59.675 0.000 1 562 55 54 GLU CB C 28.999 0.000 1 563 55 54 GLU CG C 36.083 0.000 1 564 55 54 GLU N N 121.233 0.000 1 565 56 55 GLY H H 8.517 0.000 1 566 56 55 GLY HA2 H 4.628 0.000 1 567 56 55 GLY HA3 H 3.781 0.000 1 568 56 55 GLY CA C 47.866 0.000 1 569 56 55 GLY N N 110.790 0.000 1 570 57 56 CYS H H 8.134 0.000 1 571 57 56 CYS HA H 4.024 0.000 1 572 57 56 CYS HB2 H 2.499 0.000 1 573 57 56 CYS HB3 H 3.478 0.000 1 574 57 56 CYS CA C 64.602 0.000 1 575 57 56 CYS CB C 47.795 0.000 1 576 57 56 CYS N N 118.602 0.000 1 577 58 57 ARG H H 8.488 0.000 1 578 58 57 ARG HA H 3.550 0.000 1 579 58 57 ARG HB2 H 1.965 0.000 1 580 58 57 ARG HB3 H 1.989 0.000 1 581 58 57 ARG HG2 H 1.500 0.000 1 582 58 57 ARG HG3 H 1.500 0.000 1 583 58 57 ARG HD2 H 3.095 0.000 1 584 58 57 ARG HD3 H 3.095 0.000 1 585 58 57 ARG CA C 59.707 0.000 1 586 58 57 ARG CB C 29.449 0.000 1 587 58 57 ARG CG C 27.749 0.000 1 588 58 57 ARG CD C 43.247 0.000 1 589 58 57 ARG N N 119.540 0.000 1 590 59 58 GLN H H 8.016 0.000 1 591 59 58 GLN HA H 4.052 0.000 1 592 59 58 GLN HB2 H 2.349 0.000 1 593 59 58 GLN HB3 H 2.349 0.000 1 594 59 58 GLN HG2 H 2.427 0.000 1 595 59 58 GLN HG3 H 2.482 0.000 1 596 59 58 GLN CA C 59.400 0.000 1 597 59 58 GLN CB C 28.234 0.000 1 598 59 58 GLN CG C 33.835 0.000 1 599 59 58 GLN N N 119.852 0.000 1 600 60 59 ILE H H 8.163 0.000 1 601 60 59 ILE HA H 3.612 0.008 1 602 60 59 ILE HB H 1.912 0.000 1 603 60 59 ILE HG12 H 1.931 0.002 1 604 60 59 ILE HG13 H 0.843 0.000 1 605 60 59 ILE HG2 H 0.875 0.004 1 606 60 59 ILE HD1 H 0.757 0.031 1 607 60 59 ILE CA C 65.651 0.021 1 608 60 59 ILE CB C 37.850 0.015 1 609 60 59 ILE CG1 C 28.121 0.000 1 610 60 59 ILE CG2 C 19.403 0.053 1 611 60 59 ILE CD1 C 14.888 0.012 1 612 60 59 ILE N N 120.790 0.000 1 613 61 60 LEU H H 8.370 0.000 1 614 61 60 LEU HA H 3.895 0.000 1 615 61 60 LEU HB2 H 1.752 0.000 1 616 61 60 LEU HB3 H 1.270 0.000 1 617 61 60 LEU HG H 1.663 0.000 1 618 61 60 LEU HD1 H 0.404 0.008 1 619 61 60 LEU HD2 H 0.049 0.006 1 620 61 60 LEU CA C 58.654 0.009 1 621 61 60 LEU CB C 40.776 0.000 1 622 61 60 LEU CG C 25.965 0.000 1 623 61 60 LEU CD1 C 25.287 0.047 1 624 61 60 LEU CD2 C 22.453 0.020 1 625 61 60 LEU N N 118.915 0.000 1 626 62 61 GLY H H 7.883 0.000 1 627 62 61 GLY HA2 H 3.950 0.000 1 628 62 61 GLY HA3 H 4.018 0.000 1 629 62 61 GLY CA C 47.184 0.000 1 630 62 61 GLY N N 104.332 0.000 1 631 63 62 GLN H H 7.795 0.000 1 632 63 62 GLN HA H 4.148 0.000 1 633 63 62 GLN HB2 H 2.247 0.008 1 634 63 62 GLN HB3 H 2.139 0.013 1 635 63 62 GLN HG2 H 2.509 0.007 1 636 63 62 GLN HG3 H 2.395 0.003 1 637 63 62 GLN CA C 57.873 0.000 1 638 63 62 GLN CB C 29.115 0.119 1 639 63 62 GLN CG C 34.212 0.076 1 640 63 62 GLN N N 119.852 0.000 1 641 64 63 LEU H H 8.252 0.000 1 642 64 63 LEU HA H 4.258 0.000 1 643 64 63 LEU HB2 H 2.104 0.004 1 644 64 63 LEU HB3 H 1.494 0.000 1 645 64 63 LEU HG H 1.902 0.000 1 646 64 63 LEU HD1 H 0.774 0.009 1 647 64 63 LEU HD2 H 0.620 0.033 1 648 64 63 LEU CA C 56.183 0.000 1 649 64 63 LEU CB C 44.198 0.000 1 650 64 63 LEU CG C 26.595 0.000 1 651 64 63 LEU CD1 C 25.848 0.016 1 652 64 63 LEU CD2 C 21.746 0.113 1 653 64 63 LEU N N 117.040 0.000 1 654 65 64 GLN H H 8.104 0.000 1 655 65 64 GLN HA H 3.779 0.000 1 656 65 64 GLN HB2 H 2.576 0.000 1 657 65 64 GLN HB3 H 2.494 0.000 1 658 65 64 GLN HG2 H 2.377 0.000 1 659 65 64 GLN HG3 H 2.377 0.000 1 660 65 64 GLN CA C 61.547 0.000 1 661 65 64 GLN CB C 25.864 0.000 1 662 65 64 GLN CG C 34.077 0.000 1 663 65 64 GLN N N 118.915 0.000 1 664 66 65 PRO HA H 4.383 0.000 1 665 66 65 PRO HB2 H 1.834 0.000 1 666 66 65 PRO HB3 H 2.379 0.000 1 667 66 65 PRO HG2 H 2.042 0.000 1 668 66 65 PRO HG3 H 2.043 0.000 1 669 66 65 PRO HD2 H 3.768 0.000 1 670 66 65 PRO HD3 H 3.567 0.000 1 671 66 65 PRO CA C 65.917 0.000 1 672 66 65 PRO CB C 31.099 0.000 1 673 66 65 PRO CG C 28.237 0.000 1 674 66 65 PRO CD C 50.882 0.000 1 675 67 66 SER H H 7.824 0.000 1 676 67 66 SER HA H 4.493 0.000 1 677 67 66 SER HB2 H 3.933 0.000 1 678 67 66 SER HB3 H 3.933 0.000 1 679 67 66 SER CA C 59.696 0.000 1 680 67 66 SER CB C 64.031 0.000 1 681 67 66 SER N N 111.415 0.000 1 682 68 67 LEU H H 7.647 0.000 1 683 68 67 LEU HA H 3.816 0.000 1 684 68 67 LEU HB2 H 1.618 0.002 1 685 68 67 LEU HB3 H 1.360 0.000 1 686 68 67 LEU HG H 1.473 0.000 1 687 68 67 LEU HD1 H 0.162 0.004 1 688 68 67 LEU HD2 H 0.356 0.004 1 689 68 67 LEU CA C 57.948 0.073 1 690 68 67 LEU CB C 41.769 0.077 1 691 68 67 LEU CG C 26.187 0.065 1 692 68 67 LEU CD1 C 23.972 0.009 1 693 68 67 LEU CD2 C 22.164 0.004 1 694 68 67 LEU N N 121.102 0.000 1 695 69 68 GLN H H 8.060 0.000 1 696 69 68 GLN HA H 4.069 0.000 1 697 69 68 GLN HB2 H 2.132 0.000 1 698 69 68 GLN HB3 H 2.132 0.000 1 699 69 68 GLN HG2 H 2.398 0.000 1 700 69 68 GLN HG3 H 2.398 0.000 1 701 69 68 GLN CA C 58.470 0.000 1 702 69 68 GLN CB C 28.428 0.000 1 703 69 68 GLN CG C 33.771 0.000 1 704 69 68 GLN N N 116.415 0.000 1 705 70 69 THR H H 7.515 0.000 1 706 70 69 THR HA H 4.481 0.000 1 707 70 69 THR HB H 4.527 0.002 1 708 70 69 THR HG2 H 1.192 0.000 1 709 70 69 THR CA C 61.291 0.068 1 710 70 69 THR CB C 69.415 0.052 1 711 70 69 THR CG2 C 21.573 0.000 1 712 70 69 THR N N 106.728 0.000 1 713 71 70 GLY H H 7.692 0.000 1 714 71 70 GLY HA2 H 4.211 0.000 1 715 71 70 GLY HA3 H 3.909 0.000 1 716 71 70 GLY CA C 45.553 0.000 1 717 71 70 GLY N N 109.540 0.000 1 718 72 71 SER H H 8.045 0.000 1 719 72 71 SER HA H 4.625 0.000 1 720 72 71 SER HB2 H 4.387 0.000 1 721 72 71 SER HB3 H 4.027 0.000 1 722 72 71 SER CA C 57.319 0.000 1 723 72 71 SER CB C 64.599 0.000 1 724 72 71 SER N N 114.540 0.000 1 725 73 72 GLU H H 9.092 0.000 1 726 73 72 GLU HA H 4.087 0.000 1 727 73 72 GLU HB2 H 2.114 0.000 1 728 73 72 GLU HB3 H 2.037 0.000 1 729 73 72 GLU HG2 H 2.382 0.000 1 730 73 72 GLU HG3 H 2.382 0.000 1 731 73 72 GLU CA C 59.380 0.000 1 732 73 72 GLU CB C 29.302 0.000 1 733 73 72 GLU CG C 36.063 0.000 1 734 73 72 GLU N N 124.228 0.000 1 735 74 73 GLU H H 8.665 0.000 1 736 74 73 GLU HA H 4.258 0.000 1 737 74 73 GLU HB2 H 2.228 0.000 1 738 74 73 GLU HB3 H 2.128 0.000 1 739 74 73 GLU HG2 H 2.504 0.000 1 740 74 73 GLU HG3 H 2.406 0.000 1 741 74 73 GLU CA C 60.306 0.000 1 742 74 73 GLU CB C 29.462 0.000 1 743 74 73 GLU CG C 36.623 0.000 1 744 74 73 GLU N N 120.165 0.000 1 745 75 74 LEU H H 7.765 0.000 1 746 75 74 LEU HA H 4.183 0.005 1 747 75 74 LEU HB2 H 1.803 0.000 1 748 75 74 LEU HB3 H 1.695 0.000 1 749 75 74 LEU HG H 1.695 0.000 1 750 75 74 LEU HD1 H 0.873 0.013 1 751 75 74 LEU HD2 H 0.828 0.000 1 752 75 74 LEU CA C 57.932 0.032 1 753 75 74 LEU CB C 41.178 0.000 1 754 75 74 LEU CG C 27.826 0.000 1 755 75 74 LEU CD1 C 25.015 0.043 1 756 75 74 LEU CD2 C 25.243 0.000 1 757 75 74 LEU N N 121.415 0.000 1 758 76 75 ARG H H 7.868 0.000 1 759 76 75 ARG HA H 3.933 0.000 1 760 76 75 ARG HB2 H 2.022 0.000 1 761 76 75 ARG HB3 H 2.022 0.000 1 762 76 75 ARG HG2 H 1.672 0.000 1 763 76 75 ARG HG3 H 1.672 0.000 1 764 76 75 ARG HD2 H 3.246 0.000 1 765 76 75 ARG HD3 H 3.246 0.000 1 766 76 75 ARG CA C 59.682 0.000 1 767 76 75 ARG CB C 29.197 0.000 1 768 76 75 ARG CG C 27.371 0.000 1 769 76 75 ARG CD C 43.051 0.000 1 770 76 75 ARG N N 119.228 0.000 1 771 77 76 SER H H 8.576 0.000 1 772 77 76 SER HA H 4.263 0.000 1 773 77 76 SER HB2 H 4.217 0.000 1 774 77 76 SER HB3 H 4.217 0.000 1 775 77 76 SER CA C 62.668 0.000 1 776 77 76 SER CB C 62.849 0.000 1 777 77 76 SER N N 114.228 0.000 1 778 78 77 LEU H H 8.458 0.000 1 779 78 77 LEU HA H 4.421 0.000 1 780 78 77 LEU HB2 H 2.380 0.002 1 781 78 77 LEU HB3 H 1.710 0.000 1 782 78 77 LEU HG H 1.501 0.002 1 783 78 77 LEU HD1 H 0.850 0.012 1 784 78 77 LEU HD2 H 0.819 0.008 1 785 78 77 LEU CA C 58.962 0.068 1 786 78 77 LEU CB C 41.918 0.042 1 787 78 77 LEU CG C 27.059 0.000 1 788 78 77 LEU CD1 C 24.050 0.039 1 789 78 77 LEU CD2 C 26.278 0.011 1 790 78 77 LEU N N 125.790 0.000 1 791 79 78 TYR H H 8.694 0.000 1 792 79 78 TYR HA H 3.661 0.000 1 793 79 78 TYR HB2 H 3.311 0.000 1 794 79 78 TYR HB3 H 2.791 0.000 1 795 79 78 TYR HD1 H 7.049 0.000 1 796 79 78 TYR HD2 H 7.049 0.000 1 797 79 78 TYR HE1 H 6.858 0.000 1 798 79 78 TYR HE2 H 6.858 0.000 1 799 79 78 TYR CA C 62.802 0.000 1 800 79 78 TYR CB C 39.194 0.000 1 801 79 78 TYR CD1 C 133.569 0.000 1 802 79 78 TYR CD2 C 133.569 0.000 1 803 79 78 TYR CE1 C 118.606 0.000 1 804 79 78 TYR CE2 C 118.606 0.000 1 805 79 78 TYR N N 119.852 0.000 1 806 80 79 ASN H H 8.871 0.000 1 807 80 79 ASN HA H 4.284 0.000 1 808 80 79 ASN HB2 H 3.211 0.000 1 809 80 79 ASN HB3 H 2.728 0.000 1 810 80 79 ASN HD21 H 6.409 0.000 1 811 80 79 ASN HD22 H 7.485 0.000 1 812 80 79 ASN CA C 55.787 0.000 1 813 80 79 ASN CB C 37.839 0.000 1 814 80 79 ASN N N 117.040 0.000 1 815 80 79 ASN ND2 N 104.540 0.000 1 816 81 80 THR H H 8.119 0.000 1 817 81 80 THR HA H 3.945 0.000 1 818 81 80 THR HB H 4.725 0.000 1 819 81 80 THR HG2 H 1.552 0.000 1 820 81 80 THR CA C 67.855 0.000 1 821 81 80 THR CB C 69.140 0.000 1 822 81 80 THR CG2 C 21.025 0.000 1 823 81 80 THR N N 115.790 0.000 1 824 82 81 ILE H H 8.090 0.000 1 825 82 81 ILE HA H 3.668 0.000 1 826 82 81 ILE HB H 1.842 0.000 1 827 82 81 ILE HG12 H 1.182 0.000 1 828 82 81 ILE HG13 H 1.792 0.000 1 829 82 81 ILE HG2 H 0.887 0.001 1 830 82 81 ILE HD1 H 0.799 0.004 1 831 82 81 ILE CA C 64.520 0.044 1 832 82 81 ILE CB C 36.486 0.000 1 833 82 81 ILE CG1 C 28.847 0.000 1 834 82 81 ILE CG2 C 17.831 0.021 1 835 82 81 ILE CD1 C 13.895 0.045 1 836 82 81 ILE N N 121.102 0.000 1 837 83 82 ALA H H 8.782 0.000 1 838 83 82 ALA HA H 3.891 0.000 1 839 83 82 ALA HB H 1.354 0.035 1 840 83 82 ALA CA C 55.855 0.000 1 841 83 82 ALA CB C 17.841 0.009 1 842 83 82 ALA N N 125.165 0.000 1 843 84 83 VAL H H 7.795 0.000 1 844 84 83 VAL HA H 3.328 0.000 1 845 84 83 VAL HB H 1.946 0.000 1 846 84 83 VAL HG1 H 0.420 0.000 1 847 84 83 VAL HG2 H 0.993 0.000 1 848 84 83 VAL CA C 67.465 0.019 1 849 84 83 VAL CB C 30.695 0.009 1 850 84 83 VAL CG1 C 25.013 0.000 1 851 84 83 VAL CG2 C 23.410 0.000 1 852 84 83 VAL N N 117.665 0.000 1 853 85 84 LEU H H 8.163 0.000 1 854 85 84 LEU HA H 3.815 0.000 1 855 85 84 LEU HB2 H 1.881 0.001 1 856 85 84 LEU HB3 H 1.753 0.000 1 857 85 84 LEU HG H 1.393 0.000 1 858 85 84 LEU HD1 H 0.509 0.003 1 859 85 84 LEU HD2 H 0.196 0.005 1 860 85 84 LEU CA C 58.310 0.022 1 861 85 84 LEU CB C 42.148 0.035 1 862 85 84 LEU CG C 26.528 0.000 1 863 85 84 LEU CD1 C 27.028 0.017 1 864 85 84 LEU CD2 C 23.881 0.029 1 865 85 84 LEU N N 122.040 0.000 1 866 86 85 TYR H H 9.062 0.000 1 867 86 85 TYR HA H 3.912 0.000 1 868 86 85 TYR HB2 H 3.448 0.000 1 869 86 85 TYR HB3 H 2.861 0.000 1 870 86 85 TYR HD1 H 7.204 0.000 1 871 86 85 TYR HD2 H 7.204 0.000 1 872 86 85 TYR HE1 H 6.620 0.000 1 873 86 85 TYR HE2 H 6.620 0.000 1 874 86 85 TYR CA C 62.818 0.000 1 875 86 85 TYR CB C 38.287 0.000 1 876 86 85 TYR CD1 C 133.410 0.000 1 877 86 85 TYR CD2 C 133.410 0.000 1 878 86 85 TYR CE1 C 118.231 0.000 1 879 86 85 TYR CE2 C 118.231 0.000 1 880 86 85 TYR N N 118.915 0.000 1 881 87 86 CYS H H 7.515 0.000 1 882 87 86 CYS HA H 3.794 0.000 1 883 87 86 CYS HB2 H 3.324 0.000 1 884 87 86 CYS HB3 H 2.868 0.000 1 885 87 86 CYS CA C 65.966 0.000 1 886 87 86 CYS CB C 46.557 0.000 1 887 87 86 CYS N N 116.102 0.000 1 888 88 87 VAL H H 8.429 0.000 1 889 88 87 VAL HA H 3.878 0.000 1 890 88 87 VAL HB H 2.116 0.000 1 891 88 87 VAL HG1 H 0.960 0.000 1 892 88 87 VAL HG2 H 1.139 0.000 1 893 88 87 VAL CA C 66.421 0.000 1 894 88 87 VAL CB C 31.587 0.000 1 895 88 87 VAL CG1 C 21.656 0.000 1 896 88 87 VAL CG2 C 24.085 0.000 1 897 88 87 VAL N N 119.978 0.000 1 898 89 88 HIS H H 8.797 0.000 1 899 89 88 HIS HA H 4.875 0.000 1 900 89 88 HIS HB2 H 3.240 0.000 1 901 89 88 HIS HB3 H 3.240 0.000 1 902 89 88 HIS HD2 H 6.891 0.000 1 903 89 88 HIS HE1 H 8.946 0.000 1 904 89 88 HIS CA C 57.120 0.000 1 905 89 88 HIS CB C 29.083 0.000 1 906 89 88 HIS CD2 C 118.455 0.000 1 907 89 88 HIS N N 118.915 0.000 1 908 90 89 GLN H H 7.986 0.000 1 909 90 89 GLN HA H 4.385 0.000 1 910 90 89 GLN HB2 H 1.901 0.000 1 911 90 89 GLN HB3 H 1.667 0.000 1 912 90 89 GLN HG2 H 1.817 0.000 1 913 90 89 GLN HG3 H 1.817 0.000 1 914 90 89 GLN CA C 55.289 0.000 1 915 90 89 GLN CB C 30.952 0.000 1 916 90 89 GLN CG C 33.398 0.000 1 917 90 89 GLN N N 116.728 0.000 1 918 91 90 ARG H H 7.883 0.000 1 919 91 90 ARG HA H 4.013 0.000 1 920 91 90 ARG HB2 H 2.129 0.000 1 921 91 90 ARG HB3 H 1.920 0.000 1 922 91 90 ARG HG2 H 1.562 0.000 1 923 91 90 ARG HG3 H 1.562 0.000 1 924 91 90 ARG HD2 H 3.201 0.000 1 925 91 90 ARG HD3 H 3.201 0.000 1 926 91 90 ARG CA C 57.183 0.000 1 927 91 90 ARG CB C 26.049 0.000 1 928 91 90 ARG CG C 27.681 0.000 1 929 91 90 ARG CD C 43.435 0.000 1 930 91 90 ARG N N 115.165 0.000 1 931 92 91 ILE H H 8.335 0.000 1 932 92 91 ILE HA H 3.985 0.000 1 933 92 91 ILE HB H 1.544 0.000 1 934 92 91 ILE HG12 H 1.503 0.000 1 935 92 91 ILE HG13 H 0.961 0.000 1 936 92 91 ILE HG2 H 0.848 0.000 1 937 92 91 ILE HD1 H 0.900 0.000 1 938 92 91 ILE CA C 60.656 0.016 1 939 92 91 ILE CB C 38.930 0.002 1 940 92 91 ILE CG1 C 27.141 0.014 1 941 92 91 ILE CG2 C 17.725 0.000 1 942 92 91 ILE CD1 C 13.537 0.000 1 943 92 91 ILE N N 120.087 0.000 1 944 93 92 ASP H H 8.620 0.000 1 945 93 92 ASP HA H 4.485 0.000 1 946 93 92 ASP HB2 H 2.653 0.000 1 947 93 92 ASP HB3 H 2.535 0.000 1 948 93 92 ASP CA C 55.043 0.000 1 949 93 92 ASP CB C 40.396 0.000 1 950 93 92 ASP N N 129.228 0.000 1 951 94 93 VAL H H 7.751 0.000 1 952 94 93 VAL HA H 4.633 0.000 1 953 94 93 VAL HB H 2.147 0.000 1 954 94 93 VAL HG1 H 0.842 0.000 1 955 94 93 VAL HG2 H 0.916 0.000 1 956 94 93 VAL CA C 59.120 0.000 1 957 94 93 VAL CB C 35.512 0.000 1 958 94 93 VAL CG1 C 17.92 0.000 1 959 94 93 VAL CG2 C 23.416 0.000 1 960 94 93 VAL N N 115.790 0.000 1 961 95 94 LYS H H 9.239 0.000 1 962 95 94 LYS HA H 4.393 0.000 1 963 95 94 LYS HB2 H 1.834 0.000 1 964 95 94 LYS HB3 H 1.788 0.000 1 965 95 94 LYS HG2 H 1.558 0.000 1 966 95 94 LYS HG3 H 1.558 0.000 1 967 95 94 LYS HD2 H 2.128 0.000 1 968 95 94 LYS HD3 H 2.128 0.000 1 969 95 94 LYS HE2 H 2.989 0.000 1 970 95 94 LYS HE3 H 2.989 0.000 1 971 95 94 LYS CA C 56.671 0.000 1 972 95 94 LYS CB C 34.008 0.000 1 973 95 94 LYS CG C 24.586 0.000 1 974 95 94 LYS CD C 30.297 0.000 1 975 95 94 LYS CE C 42.045 0.000 1 976 95 94 LYS N N 118.915 0.000 1 977 96 95 ASP H H 7.412 0.000 1 978 96 95 ASP HA H 5.562 0.000 1 979 96 95 ASP HB2 H 2.609 0.000 1 980 96 95 ASP HB3 H 2.089 0.000 1 981 96 95 ASP CA C 52.829 0.000 1 982 96 95 ASP CB C 44.604 0.000 1 983 96 95 ASP N N 112.040 0.000 1 984 97 96 THR H H 7.250 0.000 1 985 97 96 THR HA H 3.661 0.000 1 986 97 96 THR HB H 4.023 0.000 1 987 97 96 THR HG2 H 1.314 0.000 1 988 97 96 THR CA C 65.947 0.000 1 989 97 96 THR CB C 70.285 0.000 1 990 97 96 THR CG2 C 22.771 0.000 1 991 97 96 THR N N 109.540 0.000 1 992 98 97 LYS H H 7.868 0.000 1 993 98 97 LYS HA H 3.945 0.000 1 994 98 97 LYS HB2 H 2.112 0.000 1 995 98 97 LYS HB3 H 1.781 0.000 1 996 98 97 LYS HG2 H 1.444 0.000 1 997 98 97 LYS HG3 H 1.444 0.000 1 998 98 97 LYS HD2 H 2.026 0.000 1 999 98 97 LYS HD3 H 2.026 0.000 1 1000 98 97 LYS HE2 H 3.229 0.000 1 1001 98 97 LYS HE3 H 3.229 0.000 1 1002 98 97 LYS CA C 59.628 0.000 1 1003 98 97 LYS CB C 31.927 0.000 1 1004 98 97 LYS CG C 24.990 0.000 1 1005 98 97 LYS CD C 27.954 0.000 1 1006 98 97 LYS CE C 43.076 0.000 1 1007 98 97 LYS N N 121.102 0.000 1 1008 99 98 GLU H H 8.384 0.000 1 1009 99 98 GLU HA H 4.077 0.000 1 1010 99 98 GLU HB2 H 2.129 0.000 1 1011 99 98 GLU HB3 H 2.129 0.000 1 1012 99 98 GLU HG2 H 2.547 0.000 1 1013 99 98 GLU HG3 H 2.253 0.000 1 1014 99 98 GLU CA C 59.795 0.000 1 1015 99 98 GLU CB C 30.246 0.000 1 1016 99 98 GLU CG C 37.198 0.000 1 1017 99 98 GLU N N 119.228 0.000 1 1018 100 99 ALA H H 7.382 0.000 1 1019 100 99 ALA HA H 4.386 0.000 1 1020 100 99 ALA HB H 1.519 0.000 1 1021 100 99 ALA CA C 55.396 0.000 1 1022 100 99 ALA CB C 19.759 0.000 1 1023 100 99 ALA N N 118.915 0.000 1 1024 101 100 LEU H H 8.119 0.000 1 1025 101 100 LEU HA H 4.020 0.000 1 1026 101 100 LEU HB2 H 2.090 0.000 1 1027 101 100 LEU HB3 H 1.567 0.000 1 1028 101 100 LEU HG H 1.887 0.000 1 1029 101 100 LEU HD1 H 0.940 0.000 1 1030 101 100 LEU HD2 H 1.063 0.000 1 1031 101 100 LEU CA C 57.975 0.000 1 1032 101 100 LEU CB C 41.493 0.000 1 1033 101 100 LEU CG C 27.207 0.000 1 1034 101 100 LEU CD1 C 25.611 0.000 1 1035 101 100 LEU CD2 C 22.225 0.000 1 1036 101 100 LEU N N 117.978 0.000 1 1037 102 101 ASP H H 8.679 0.000 1 1038 102 101 ASP HA H 4.367 0.000 1 1039 102 101 ASP HB2 H 2.826 0.000 1 1040 102 101 ASP HB3 H 2.706 0.000 1 1041 102 101 ASP CA C 57.352 0.000 1 1042 102 101 ASP CB C 39.722 0.000 1 1043 102 101 ASP N N 120.478 0.000 1 1044 103 102 LYS H H 8.207 0.000 1 1045 103 102 LYS HA H 4.164 0.000 1 1046 103 102 LYS HB2 H 2.263 0.000 1 1047 103 102 LYS HB3 H 1.894 0.000 1 1048 103 102 LYS HG2 H 1.772 0.000 1 1049 103 102 LYS HG3 H 1.772 0.000 1 1050 103 102 LYS HD2 H 1.760 0.000 1 1051 103 102 LYS HD3 H 1.760 0.000 1 1052 103 102 LYS CA C 58.364 0.000 1 1053 103 102 LYS CB C 31.532 0.000 1 1054 103 102 LYS CG C 24.625 0.000 1 1055 103 102 LYS CD C 27.950 0.000 1 1056 103 102 LYS N N 120.165 0.000 1 1057 104 103 ILE H H 8.163 0.000 1 1058 104 103 ILE HA H 3.810 0.000 1 1059 104 103 ILE HB H 1.987 0.000 1 1060 104 103 ILE HG12 H 1.564 0.000 1 1061 104 103 ILE HG13 H 1.362 0.000 1 1062 104 103 ILE HG2 H 0.840 0.000 1 1063 104 103 ILE HD1 H 0.719 0.000 1 1064 104 103 ILE CA C 64.608 0.000 1 1065 104 103 ILE CB C 37.434 0.000 1 1066 104 103 ILE CG1 C 28.545 0.000 1 1067 104 103 ILE CG2 C 17.860 0.000 1 1068 104 103 ILE CD1 C 14.192 0.000 1 1069 104 103 ILE N N 119.852 0.000 1 1070 105 104 GLU H H 8.001 0.000 1 1071 105 104 GLU HA H 4.035 0.000 1 1072 105 104 GLU HB2 H 1.808 0.000 1 1073 105 104 GLU HB3 H 1.808 0.000 1 1074 105 104 GLU HG2 H 2.366 0.000 1 1075 105 104 GLU HG3 H 2.366 0.000 1 1076 105 104 GLU CA C 59.634 0.000 1 1077 105 104 GLU CB C 32.756 0.000 1 1078 105 104 GLU CG C 36.082 0.000 1 1079 105 104 GLU N N 121.415 0.000 1 1080 106 105 GLU H H 8.031 0.000 1 1081 106 105 GLU HA H 4.090 0.000 1 1082 106 105 GLU HB2 H 2.191 0.000 1 1083 106 105 GLU HB3 H 2.191 0.000 1 1084 106 105 GLU HG2 H 2.381 0.000 1 1085 106 105 GLU HG3 H 2.381 0.000 1 1086 106 105 GLU CA C 59.267 0.000 1 1087 106 105 GLU CB C 29.597 0.000 1 1088 106 105 GLU CG C 36.284 0.000 1 1089 106 105 GLU N N 119.228 0.000 1 1090 107 106 GLU H H 8.016 0.000 1 1091 107 106 GLU HA H 4.073 0.000 1 1092 107 106 GLU HB2 H 2.230 0.000 1 1093 107 106 GLU HB3 H 2.185 0.000 1 1094 107 106 GLU HG2 H 2.410 0.000 1 1095 107 106 GLU HG3 H 2.288 0.000 1 1096 107 106 GLU CA C 59.341 0.000 1 1097 107 106 GLU CB C 29.870 0.000 1 1098 107 106 GLU CG C 36.435 0.000 1 1099 107 106 GLU N N 118.915 0.000 1 1100 108 107 GLN H H 8.252 0.000 1 1101 108 107 GLN HA H 4.147 0.000 1 1102 108 107 GLN HB2 H 2.159 0.000 1 1103 108 107 GLN HB3 H 2.159 0.000 1 1104 108 107 GLN HG2 H 2.516 0.000 1 1105 108 107 GLN HG3 H 2.516 0.000 1 1106 108 107 GLN CA C 58.407 0.000 1 1107 108 107 GLN CB C 28.845 0.000 1 1108 108 107 GLN CG C 34.085 0.000 1 1109 108 107 GLN N N 118.290 0.000 1 1110 109 108 ASN H H 8.252 0.000 1 1111 109 108 ASN HA H 4.617 0.000 1 1112 109 108 ASN HB2 H 2.880 0.000 1 1113 109 108 ASN HB3 H 2.880 0.000 1 1114 109 108 ASN CA C 54.882 0.000 1 1115 109 108 ASN CB C 38.525 0.000 1 1116 109 108 ASN N N 118.290 0.000 1 1117 110 109 LYS H H 8.031 0.000 1 1118 110 109 LYS HA H 4.230 0.000 1 1119 110 109 LYS HB2 H 1.883 0.000 1 1120 110 109 LYS HB3 H 1.883 0.000 1 1121 110 109 LYS HG2 H 1.526 0.000 1 1122 110 109 LYS HG3 H 1.526 0.000 1 1123 110 109 LYS HD2 H 1.689 0.000 1 1124 110 109 LYS HD3 H 1.689 0.000 1 1125 110 109 LYS HE2 H 3.007 0.000 1 1126 110 109 LYS HE3 H 3.007 0.000 1 1127 110 109 LYS CA C 58.311 0.000 1 1128 110 109 LYS CB C 32.691 0.000 1 1129 110 109 LYS CG C 24.558 0.000 1 1130 110 109 LYS CD C 29.136 0.000 1 1131 110 109 LYS CE C 42.075 0.000 1 1132 110 109 LYS N N 120.478 0.000 1 1133 111 110 SER H H 8.031 0.000 1 1134 111 110 SER HA H 4.368 0.000 1 1135 111 110 SER HB2 H 3.932 0.000 1 1136 111 110 SER HB3 H 3.932 0.000 1 1137 111 110 SER CA C 59.764 0.000 1 1138 111 110 SER CB C 63.442 0.000 1 1139 111 110 SER N N 114.540 0.000 1 1140 112 111 LYS H H 7.957 0.000 1 1141 112 111 LYS HA H 4.245 0.000 1 1142 112 111 LYS HB2 H 1.866 0.000 1 1143 112 111 LYS HB3 H 1.866 0.000 1 1144 112 111 LYS HG2 H 1.562 0.000 1 1145 112 111 LYS HG3 H 1.430 0.000 1 1146 112 111 LYS HD2 H 1.663 0.000 1 1147 112 111 LYS HD3 H 1.663 0.000 1 1148 112 111 LYS CA C 57.329 0.000 1 1149 112 111 LYS CB C 32.775 0.000 1 1150 112 111 LYS CG C 24.654 0.000 1 1151 112 111 LYS CD C 29.137 0.000 1 1152 112 111 LYS N N 122.040 0.000 1 1153 113 112 LYS H H 8.016 0.000 1 1154 113 112 LYS HA H 4.150 0.000 1 1155 113 112 LYS HB2 H 1.835 0.000 1 1156 113 112 LYS HB3 H 1.835 0.000 1 1157 113 112 LYS HG2 H 1.504 0.000 1 1158 113 112 LYS HG3 H 1.504 0.000 1 1159 113 112 LYS HD2 H 1.681 0.000 1 1160 113 112 LYS HD3 H 1.681 0.000 1 1161 113 112 LYS CA C 59.134 0.000 1 1162 113 112 LYS CB C 32.766 0.000 1 1163 113 112 LYS CG C 24.593 0.000 1 1164 113 112 LYS CD C 29.053 0.000 1 1165 113 112 LYS N N 120.790 0.000 1 1166 114 113 LYS H H 8.119 0.000 1 1167 114 113 LYS HA H 4.263 0.000 1 1168 114 113 LYS HB2 H 1.830 0.000 1 1169 114 113 LYS HB3 H 1.830 0.000 1 1170 114 113 LYS HG2 H 1.430 0.000 1 1171 114 113 LYS HG3 H 1.430 0.000 1 1172 114 113 LYS HD2 H 1.676 0.000 1 1173 114 113 LYS HD3 H 1.676 0.000 1 1174 114 113 LYS CA C 57.185 0.000 1 1175 114 113 LYS CB C 32.857 0.000 1 1176 114 113 LYS CG C 24.621 0.000 1 1177 114 113 LYS CD C 29.082 0.000 1 1178 114 113 LYS N N 121.728 0.000 1 1179 115 114 ALA H H 8.178 0.000 1 1180 115 114 ALA HA H 4.268 0.000 1 1181 115 114 ALA HB H 1.426 0.000 1 1182 115 114 ALA CA C 53.035 0.000 1 1183 115 114 ALA CB C 19.038 0.000 1 1184 115 114 ALA N N 124.228 0.000 1 1185 116 115 GLN H H 8.237 0.000 1 1186 116 115 GLN HA H 4.248 0.000 1 1187 116 115 GLN HB2 H 2.075 0.000 1 1188 116 115 GLN HB3 H 2.075 0.000 1 1189 116 115 GLN HG2 H 2.419 0.000 1 1190 116 115 GLN HG3 H 2.419 0.000 1 1191 116 115 GLN CA C 56.549 0.000 1 1192 116 115 GLN CG C 34.036 0.000 1 1193 116 115 GLN N N 119.228 0.000 1 1194 117 116 GLN H H 8.266 0.000 1 1195 117 116 GLN HA H 4.269 0.000 1 1196 117 116 GLN HB2 H 2.018 0.000 1 1197 117 116 GLN HB3 H 2.018 0.000 1 1198 117 116 GLN HG2 H 2.383 0.000 1 1199 117 116 GLN HG3 H 2.383 0.000 1 1200 117 116 GLN CA C 56.324 0.000 1 1201 117 116 GLN CB C 29.606 0.000 1 1202 117 116 GLN CG C 33.976 0.000 1 1203 117 116 GLN N N 120.478 0.000 1 1204 118 117 ALA H H 8.266 0.000 1 1205 118 117 ALA HA H 4.276 0.000 1 1206 118 117 ALA HB H 1.415 0.000 1 1207 118 117 ALA CA C 52.837 0.000 1 1208 118 117 ALA CB C 19.062 0.000 1 1209 118 117 ALA N N 124.852 0.000 1 1210 119 118 ALA H H 8.163 0.000 1 1211 119 118 ALA HA H 4.294 0.000 1 1212 119 118 ALA HB H 1.404 0.000 1 1213 119 118 ALA CA C 52.637 0.000 1 1214 119 118 ALA CB C 19.201 0.000 1 1215 119 118 ALA N N 122.978 0.000 1 1216 120 119 ALA H H 8.163 0.000 1 1217 120 119 ALA HA H 4.277 0.000 1 1218 120 119 ALA HB H 1.393 0.000 1 1219 120 119 ALA CA C 52.736 0.000 1 1220 120 119 ALA CB C 19.167 0.000 1 1221 120 119 ALA N N 122.665 0.000 1 1222 121 120 ASP H H 8.252 0.000 1 1223 121 120 ASP HA H 4.682 0.000 1 1224 121 120 ASP HB2 H 2.718 0.000 1 1225 121 120 ASP HB3 H 2.718 0.000 1 1226 121 120 ASP CA C 54.264 0.000 1 1227 121 120 ASP CB C 41.128 0.000 1 1228 121 120 ASP N N 119.228 0.000 1 1229 122 121 THR H H 8.075 0.000 1 1230 122 121 THR HA H 4.358 0.000 1 1231 122 121 THR HB H 4.358 0.000 1 1232 122 121 THR HG2 H 1.194 0.000 1 1233 122 121 THR CA C 61.971 0.000 1 1234 122 121 THR CB C 69.586 0.101 1 1235 122 121 THR CG2 C 21.619 0.000 1 1236 122 121 THR N N 113.602 0.000 1 1237 123 122 GLY H H 8.414 0.000 1 1238 123 122 GLY HA2 H 3.934 0.000 1 1239 123 122 GLY HA3 H 3.976 0.000 1 1240 123 122 GLY CA C 45.603 0.000 1 1241 123 122 GLY N N 110.478 0.000 1 1242 124 123 ASN H H 8.266 0.000 1 1243 124 123 ASN HA H 4.608 0.000 1 1244 124 123 ASN HB2 H 2.840 0.000 1 1245 124 123 ASN HB3 H 2.840 0.000 1 1246 124 123 ASN CA C 54.733 0.000 1 1247 124 123 ASN CB C 38.538 0.000 1 1248 124 123 ASN N N 118.602 0.000 1 1249 125 124 ASN H H 8.443 0.000 1 1250 125 124 ASN HA H 4.724 0.000 1 1251 125 124 ASN HB2 H 2.798 0.000 1 1252 125 124 ASN HB3 H 2.798 0.000 1 1253 125 124 ASN CA C 53.453 0.000 1 1254 125 124 ASN CB C 38.813 0.000 1 1255 125 124 ASN N N 119.228 0.000 1 1256 126 125 SER H H 8.266 0.000 1 1257 126 125 SER HA H 4.388 0.000 1 1258 126 125 SER HB2 H 3.887 0.000 1 1259 126 125 SER HB3 H 3.887 0.000 1 1260 126 125 SER CA C 58.851 0.000 1 1261 126 125 SER CB C 63.926 0.000 1 1262 126 125 SER N N 115.790 0.000 1 1263 127 126 GLN H H 8.355 0.000 1 1264 127 126 GLN HA H 4.323 0.000 1 1265 127 126 GLN HB2 H 1.964 0.000 1 1266 127 126 GLN HB3 H 1.964 0.000 1 1267 127 126 GLN HG2 H 2.346 0.000 1 1268 127 126 GLN HG3 H 2.298 0.000 1 1269 127 126 GLN CA C 56.223 0.000 1 1270 127 126 GLN CB C 29.168 0.000 1 1271 127 126 GLN CG C 33.774 0.000 1 1272 127 126 GLN N N 121.728 0.000 1 1273 128 127 VAL H H 7.986 0.000 1 1274 128 127 VAL HA H 4.109 0.000 1 1275 128 127 VAL HB H 2.023 0.000 1 1276 128 127 VAL HG1 H 0.929 0.000 1 1277 128 127 VAL HG2 H 0.900 0.000 1 1278 128 127 VAL CA C 62.665 0.000 1 1279 128 127 VAL CB C 32.769 0.000 1 1280 128 127 VAL CG1 C 19.196 0.000 1 1281 128 127 VAL CG2 C 20.601 0.000 1 1282 128 127 VAL N N 119.852 0.000 1 1283 129 128 SER H H 8.252 0.000 1 1284 129 128 SER HA H 4.136 0.000 1 1285 129 128 SER HB2 H 3.839 0.000 1 1286 129 128 SER HB3 H 3.839 0.000 1 1287 129 128 SER CA C 58.404 0.000 1 1288 129 128 SER CB C 63.755 0.000 1 1289 129 128 SER N N 117.978 0.000 1 1290 130 129 GLN H H 8.355 0.000 1 1291 130 129 GLN HA H 4.355 0.000 1 1292 130 129 GLN HB2 H 1.995 0.000 1 1293 130 129 GLN HB3 H 1.995 0.000 1 1294 130 129 GLN HG2 H 2.333 0.000 1 1295 130 129 GLN HG3 H 2.333 0.000 1 1296 130 129 GLN CA C 56.150 0.000 1 1297 130 129 GLN CB C 29.373 0.000 1 1298 130 129 GLN CG C 34.034 0.000 1 1299 130 129 GLN N N 121.728 0.000 1 1300 131 130 ASN H H 8.252 0.000 1 1301 131 130 ASN HA H 4.632 0.000 1 1302 131 130 ASN CA C 53.568 0.000 1 1303 131 130 ASN N N 118.290 0.000 1 1304 132 131 TYR H H 7.957 0.000 1 1305 132 131 TYR HA H 4.431 0.000 1 1306 132 131 TYR HB2 H 2.826 0.000 1 1307 132 131 TYR HB3 H 2.826 0.000 1 1308 132 131 TYR HE1 H 6.954 0.000 1 1309 132 131 TYR HE2 H 6.954 0.000 1 1310 132 131 TYR CA C 58.185 0.000 1 1311 132 131 TYR CB C 38.492 0.000 1 1312 132 131 TYR CE1 C 118.192 0.000 1 1313 132 131 TYR CE2 C 118.192 0.000 1 1314 132 131 TYR N N 120.165 0.000 1 stop_ save_