data_15116 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of V7R mutant of HIV-1 myristoylated matrix protein ; _BMRB_accession_number 15116 _BMRB_flat_file_name bmr15116.str _Entry_type original _Submission_date 2007-01-29 _Accession_date 2007-01-29 _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 Saad J. S. . 2 Loeliger E. . . 3 Luncsford P. . . 4 Liriano M. . . 5 Tai J. . . 6 Kim A. . . 7 Miller J. . . 8 Joshi A. . . 9 Freed E. O. . 10 Summers M. F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 661 "13C chemical shifts" 438 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-06 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15114 'HIV-1 L8A-myrMA' stop_ _Original_release_date 2007-03-06 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Point Mutations in the HIV-1 Matrix Protein Turn Off the Myristyl Switch.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17188710 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saad J. S. . 2 Loeliger E. . . 3 Luncsford P. . . 4 Liriano M. . . 5 Tai J. . . 6 Kim A. . . 7 Miller J. . . 8 Joshi A. . . 9 Freed E. O. . 10 Summers M. F. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 366 _Journal_issue 2 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 574 _Page_last 585 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-1 V7R-myrMA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 V7R-myrMA' $Gag_polyprotein myr $entity_MYR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'V7R mutant of HIV-1 myrMA' save_ ######################## # Monomeric polymers # ######################## save_Gag_polyprotein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Gag_polyprotein _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GARASRLSGGELDKWEKIRL 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 ARG 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 2015-02-06 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 98.47 98.47 1.42e-87 BMRB 18715 MA 100.00 131 99.24 99.24 2.06e-88 BMRB 18716 MA 100.00 131 99.24 99.24 2.06e-88 PDB 1HIW "Trimeric Hiv-1 Matrix Protein" 100.00 133 99.24 99.24 1.91e-88 PDB 1L6N "Structure Of The N-Terminal 283-Residue Fragment Of The Hiv- 1 Gag Polyprotein" 100.00 289 99.24 99.24 7.40e-87 PDB 1UPH "Hiv-1 Myristoylated Matrix" 99.24 132 99.23 99.23 2.54e-87 PDB 2GOL "Xray Structure Of Gag278" 100.00 133 99.24 99.24 1.91e-88 PDB 2H3F "Solution Structure Of The Hiv-1 Ma Protein" 99.24 131 99.23 99.23 2.45e-87 PDB 2H3I "Solution Structure Of The Hiv-1 Myristoylated Matrix Protein" 98.47 131 99.22 99.22 1.73e-86 PDB 2H3Q "Solution Structure Of Hiv-1 Myrma Bound To Di-c4-phosphatidylinositol- (4,5)-bisphosphate" 98.47 131 99.22 99.22 1.73e-86 PDB 2H3V "Structure Of The Hiv-1 Matrix Protein Bound To Di-C8- Phosphatidylinositol-(4,5)-Bisphosphate" 99.24 131 99.23 99.23 2.45e-87 PDB 2H3Z "Structure Of The Hiv-1 Matrix Protein Bound To Di-c4- Phosphatidylinositol-(4,5)-bisphosphate" 99.24 131 99.23 99.23 2.45e-87 PDB 2HMX "Human Immunodeficiency Virus Type 1 Matrix Protein" 99.24 133 99.23 99.23 2.27e-87 PDB 2JMG "Solution Structure Of V7r Mutant Of Hiv-1 Myristoylated Matrix Protein" 98.47 131 100.00 100.00 1.30e-87 PDB 2LYA "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidylcholine" 100.00 137 99.24 99.24 1.75e-88 PDB 2LYB "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidyl-l-serine" 100.00 137 99.24 99.24 1.75e-88 PDB 2NV3 "Solution Structure Of L8a Mutant Of Hiv-1 Myristoylated Matrix Protein" 98.47 131 98.45 98.45 1.17e-85 PDB 4JMU "Crystal Structure Of Hiv Matrix Residues 1-111 In Complex With Inhibitor" 83.97 112 99.09 99.09 2.49e-72 DBJ BAF34641 "gag polyprotein [HIV-1 vector pNL-DT5R]" 100.00 498 99.24 99.24 8.40e-84 DBJ BAG48474 "gag protein [Human immunodeficiency virus 1]" 100.00 147 99.24 99.24 1.89e-88 EMBL CBI61180 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 98.47 98.47 1.60e-82 EMBL CBI61181 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 98.47 98.47 4.76e-83 EMBL CBI61182 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 98.47 99.24 3.07e-83 EMBL CBI61183 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 98.47 98.47 5.19e-83 EMBL CBI61184 "gag polyprotein [HIV-1 M:B 2003_KC005]" 100.00 497 99.24 99.24 7.93e-84 GB AAA44987 "gag polyprotein [Human immunodeficiency virus 1]" 100.00 500 99.24 99.24 8.29e-84 GB AAB00898 "p17 protein, partial [Human immunodeficiency virus 1]" 78.63 117 97.09 99.03 6.38e-64 GB AAB60571 "Gag polyprotein precursor [Human immunodeficiency virus 1]" 100.00 500 99.24 99.24 9.53e-84 GB AAC28445 "gag protein [Human immunodeficiency virus 1]" 100.00 500 96.95 97.71 7.04e-82 GB AAC29216 "Gag [Human immunodeficiency virus 1]" 63.36 83 98.80 100.00 2.12e-52 SP P12493 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 100.00 500 99.24 99.24 8.29e-84 SP P12497 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 100.00 1435 99.24 99.24 6.60e-79 stop_ save_ ############# # Ligands # ############# save_MYR _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'MYRISTIC ACID' _BMRB_code MYR _PDB_code MYR _Molecular_mass 228.371 _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 C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 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 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 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 DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C9 C10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? 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 _Gene_mnemonic $Gag_polyprotein virus . . . Human "immunodeficiency virus 1" gag 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 $Gag_polyprotein 'recombinant technology' bacteria Escherichia coli . 'pET11 and pET19' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C, U-100% 15N] HIV-1 V7R-myrMA, 50 mM Sodium phosphate, 100 mM NaCl, 5 mM DTT, 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Gag_polyprotein 1 mM '[U-100% 13C; U-100% 15N]' 'Sodium phosphate' 50 mM 'natural abundance' NaCL 100 mM . DTT 5 mM . D2O 90 mM . H2O 10 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 15N] HIV-1 V7R-myrMA, 50 mM Sodium phosphate, 100 mM NaCl, 5 mM DTT, 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Gag_polyprotein 1 mM '[U-100% 15N]' 'Sodium phosphate' 50 mM 'natural abundance' NaCL 100 mM . DTT 5 mM . D2O 90 mM . H2O 10 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM HIV-1 V7R-myrMA, 50 mM Sodium phosphate, 100 mM NaCl, 5 mM DTT, 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Gag_polyprotein 1 mM 'natural abundance' 'Sodium phosphate' 50 mM 'natural abundance' NaCL 100 mM . DTT 5 mM . D2O 90 mM . H2O 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_2 save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_4D_13C/15N-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 4D_13C/15N-separated_NOESY _Sample_label $sample_1 save_ save_4D_13C-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 4D_13C-separated_NOESY _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 water H 1 protons ppm 4.706 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external 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_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY 4D_13C/15N-separated_NOESY stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name myr _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MYR C14 C 15.978 0.05 1 2 1 1 MYR H141 H 0.480 0.02 1 3 1 1 MYR H142 H 0.480 0.02 1 4 1 1 MYR H143 H 0.480 0.02 1 5 1 1 MYR C13 C 24.302 0.05 1 6 1 1 MYR H131 H 0.931 0.02 1 7 1 1 MYR H132 H 0.931 0.02 1 8 1 1 MYR C12 C 33.665 0.05 1 9 1 1 MYR H121 H 1.030 0.02 1 10 1 1 MYR H122 H 1.030 0.02 1 11 1 1 MYR C11 C 31.432 0.05 1 12 1 1 MYR H111 H 1.050 0.02 1 13 1 1 MYR H112 H 1.050 0.02 1 14 1 1 MYR C10 C 31.432 0.05 1 15 1 1 MYR H101 H 1.050 0.02 1 16 1 1 MYR H102 H 1.050 0.02 1 17 1 1 MYR C9 C 31.432 0.05 1 18 1 1 MYR H91 H 1.050 0.02 1 19 1 1 MYR H92 H 1.050 0.02 1 20 1 1 MYR C8 C 31.432 0.05 1 21 1 1 MYR H81 H 1.050 0.02 1 22 1 1 MYR H82 H 1.050 0.02 1 23 1 1 MYR C7 C 31.432 0.05 1 24 1 1 MYR H71 H 1.050 0.02 1 25 1 1 MYR H72 H 1.050 0.02 1 26 1 1 MYR C6 C 31.432 0.05 1 27 1 1 MYR H61 H 1.050 0.02 1 28 1 1 MYR H62 H 1.050 0.02 1 29 1 1 MYR C5 C 31.432 0.05 1 30 1 1 MYR H51 H 1.050 0.02 1 31 1 1 MYR H52 H 1.050 0.02 1 32 1 1 MYR C4 C 31.100 0.05 1 33 1 1 MYR H41 H 1.091 0.02 1 34 1 1 MYR H42 H 1.091 0.02 1 35 1 1 MYR C3 C 27.350 0.05 1 36 1 1 MYR H31 H 1.401 0.02 1 37 1 1 MYR H32 H 1.401 0.02 1 38 1 1 MYR C2 C 37.355 0.05 1 39 1 1 MYR H21 H 2.146 0.02 1 40 1 1 MYR H22 H 2.146 0.02 1 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY 4D_13C/15N-separated_NOESY stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'HIV-1 V7R-myrMA' _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 N N 113.250 0.05 1 2 2 1 GLY CA C 43.854 0.05 1 3 2 1 GLY HA2 H 3.999 0.02 2 4 2 1 GLY HA3 H 3.750 0.02 2 5 3 2 ALA N N 126.375 0.05 1 6 3 2 ALA H H 8.730 0.02 1 7 3 2 ALA CA C 51.390 0.05 1 8 3 2 ALA HA H 4.210 0.02 1 9 3 2 ALA CB C 15.747 0.05 1 10 3 2 ALA HB H 1.409 0.02 1 11 4 3 ARG N N 117.000 0.05 1 12 4 3 ARG H H 7.978 0.02 1 13 4 3 ARG CA C 55.172 0.05 1 14 4 3 ARG HA H 4.071 0.02 1 15 4 3 ARG CB C 27.292 0.05 1 16 4 3 ARG HB2 H 1.898 0.02 2 17 4 3 ARG HB3 H 1.765 0.02 2 18 4 3 ARG CG C 25.052 0.05 1 19 4 3 ARG HG2 H 1.640 0.02 2 20 5 4 ALA N N 120.125 0.05 1 21 5 4 ALA H H 7.860 0.02 1 22 5 4 ALA CA C 51.067 0.05 1 23 5 4 ALA HA H 4.074 0.02 1 24 5 4 ALA CB C 15.734 0.05 1 25 5 4 ALA HB H 1.358 0.02 1 26 6 5 SER N N 112.677 0.05 1 27 6 5 SER H H 7.796 0.02 1 28 6 5 SER CA C 56.839 0.05 1 29 6 5 SER HA H 4.173 0.02 1 30 6 5 SER CB C 62.287 0.05 1 31 6 5 SER HB2 H 3.888 0.02 2 32 7 6 ARG N N 119.812 0.05 1 33 7 6 ARG H H 7.652 0.02 1 34 7 6 ARG CA C 53.254 0.05 1 35 7 6 ARG HA H 4.367 0.02 1 36 7 6 ARG CB C 27.580 0.05 1 37 7 6 ARG HB2 H 1.852 0.02 2 38 7 6 ARG HB3 H 1.872 0.02 2 39 7 6 ARG CG C 24.617 0.05 1 40 7 6 ARG HG2 H 1.636 0.02 2 41 7 6 ARG CD C 40.640 0.05 1 42 7 6 ARG HD2 H 3.108 0.02 1 43 7 6 ARG HD3 H 3.129 0.02 1 44 8 7 LEU N N 120.750 0.05 1 45 8 7 LEU H H 7.477 0.02 1 46 8 7 LEU CA C 52.780 0.05 1 47 8 7 LEU HA H 4.351 0.02 1 48 8 7 LEU CB C 39.551 0.05 1 49 8 7 LEU HB2 H 1.679 0.02 1 50 8 7 LEU HB3 H 1.450 0.02 1 51 8 7 LEU CG C 24.402 0.05 1 52 8 7 LEU HG H 1.658 0.02 1 53 8 7 LEU CD1 C 21.363 0.05 1 54 8 7 LEU HD1 H 0.767 0.02 1 55 8 7 LEU CD2 C 21.363 0.05 1 56 8 7 LEU HD2 H 0.767 0.02 1 57 9 8 SER N N 1.679 0.05 1 58 9 8 SER H H 1.450 0.02 1 59 9 8 SER CA C 24.402 0.05 1 60 9 8 SER HA H 1.658 0.02 1 61 9 8 SER CB C 21.363 0.05 1 62 9 8 SER HB2 H 0.767 0.02 2 63 10 9 GLY N N 21.363 0.05 1 64 10 9 GLY H H 0.767 0.02 1 65 10 9 GLY CA C 43.903 0.05 1 66 10 9 GLY HA2 H 4.053 0.02 2 67 10 9 GLY HA3 H 4.164 0.02 2 68 11 10 GLY N N 108.641 0.05 1 69 11 10 GLY H H 8.524 0.02 1 70 11 10 GLY CA C 43.907 0.05 1 71 11 10 GLY HA2 H 3.890 0.02 2 72 11 10 GLY HA3 H 4.154 0.02 2 73 12 11 GLU N N 121.062 0.05 1 74 12 11 GLU H H 8.347 0.02 1 75 12 11 GLU CA C 56.833 0.05 1 76 12 11 GLU HA H 4.046 0.02 1 77 12 11 GLU CB C 27.007 0.05 1 78 12 11 GLU HB2 H 1.993 0.02 2 79 12 11 GLU CG C 34.520 0.05 1 80 12 11 GLU HG2 H 2.336 0.02 2 81 13 12 LEU N N 119.812 0.05 1 82 13 12 LEU H H 7.934 0.02 1 83 13 12 LEU CA C 54.521 0.05 1 84 13 12 LEU HA H 4.155 0.02 1 85 13 12 LEU CB C 38.515 0.05 1 86 13 12 LEU HB2 H 1.436 0.02 2 87 13 12 LEU HB3 H 1.865 0.02 2 88 13 12 LEU CG C 24.484 0.05 1 89 13 12 LEU HG H 1.739 0.02 1 90 13 12 LEU CD1 C 21.905 0.05 1 91 13 12 LEU HD1 H 0.905 0.02 1 92 13 12 LEU CD2 C 21.905 0.05 1 93 13 12 LEU HD2 H 0.905 0.02 1 94 14 13 ASP N N 117.312 0.05 1 95 14 13 ASP H H 7.816 0.02 1 96 14 13 ASP CA C 54.467 0.05 1 97 14 13 ASP HA H 4.322 0.02 1 98 14 13 ASP CB C 38.260 0.05 1 99 14 13 ASP HB2 H 2.704 0.02 2 100 15 14 LYS N N 116.062 0.05 1 101 15 14 LYS H H 7.344 0.02 1 102 15 14 LYS CA C 56.273 0.05 1 103 15 14 LYS HA H 4.024 0.02 1 104 15 14 LYS CB C 29.846 0.05 1 105 15 14 LYS HB2 H 2.093 0.02 2 106 15 14 LYS CG C 22.716 0.05 1 107 15 14 LYS HG2 H 1.535 0.02 2 108 15 14 LYS CD C 26.417 0.05 1 109 15 14 LYS HD2 H 1.689 0.02 2 110 16 15 TRP N N 121.062 0.05 1 111 16 15 TRP H H 8.096 0.02 1 112 16 15 TRP CA C 56.986 0.05 1 113 16 15 TRP HA H 4.121 0.02 1 114 16 15 TRP CB C 28.280 0.05 1 115 16 15 TRP HB2 H 3.164 0.02 2 116 16 15 TRP HB3 H 3.574 0.02 2 117 16 15 TRP CD1 C 121.369 0.05 1 118 16 15 TRP HD1 H 6.602 0.02 1 119 16 15 TRP NE1 N 126.688 0.05 1 120 16 15 TRP HE1 H 9.349 0.02 1 121 16 15 TRP CZ2 C 111.378 0.05 1 122 16 15 TRP HZ2 H 7.091 0.02 1 123 16 15 TRP CZ3 C 119.509 0.05 1 124 16 15 TRP HZ3 H 6.411 0.02 1 125 16 15 TRP CE3 C 116.814 0.05 1 126 16 15 TRP HE3 H 7.106 0.02 1 127 17 16 GLU N N 128.250 0.05 1 128 17 16 GLU H H 7.698 0.02 1 129 17 16 GLU CA C 54.180 0.05 1 130 17 16 GLU HA H 4.694 0.02 1 131 17 16 GLU CB C 27.040 0.05 1 132 17 16 GLU HB2 H 2.260 0.02 2 133 17 16 GLU CG C 35.744 0.05 1 134 17 16 GLU HG2 H 2.931 0.02 2 135 18 17 LYS N N 115.438 0.05 1 136 18 17 LYS H H 7.271 0.02 1 137 18 17 LYS CA C 53.274 0.05 1 138 18 17 LYS HA H 4.408 0.02 1 139 18 17 LYS CB C 30.992 0.05 1 140 18 17 LYS HB2 H 2.014 0.02 2 141 18 17 LYS CG C 22.731 0.05 1 142 18 17 LYS HG2 H 1.590 0.02 2 143 18 17 LYS CD C 26.364 0.05 1 144 18 17 LYS HD2 H 1.648 0.02 2 145 18 17 LYS CE C 39.434 0.05 1 146 18 17 LYS HE2 H 2.951 0.02 2 147 19 18 ILE N N 123.875 0.05 1 148 19 18 ILE H H 7.610 0.02 1 149 19 18 ILE CA C 60.408 0.05 1 150 19 18 ILE HA H 3.543 0.02 1 151 19 18 ILE CB C 35.352 0.05 1 152 19 18 ILE HB H 1.570 0.02 1 153 19 18 ILE CG1 C 25.140 0.05 1 154 19 18 ILE HG12 H 1.883 0.02 9 155 19 18 ILE HG13 H 0.813 0.02 9 156 19 18 ILE CD1 C 12.022 0.05 1 157 19 18 ILE HD1 H 0.462 0.02 1 158 19 18 ILE CG2 C 13.848 0.05 1 159 19 18 ILE HG2 H 0.497 0.02 1 160 20 19 ARG N N 125.750 0.05 1 161 20 19 ARG H H 8.022 0.02 1 162 20 19 ARG CA C 53.702 0.05 1 163 20 19 ARG HA H 4.426 0.02 1 164 20 19 ARG CB C 28.846 0.05 1 165 20 19 ARG HB2 H 1.987 0.02 2 166 20 19 ARG HB3 H 1.767 0.02 2 167 20 19 ARG CG C 26.103 0.05 1 168 20 19 ARG HG2 H 1.836 0.02 2 169 20 19 ARG HG3 H 1.692 0.02 2 170 21 20 LEU N N 120.438 0.05 1 171 21 20 LEU H H 7.772 0.02 1 172 21 20 LEU CA C 55.726 0.05 1 173 21 20 LEU HA H 3.415 0.02 1 174 21 20 LEU CB C 38.810 0.05 1 175 21 20 LEU HB2 H 1.386 0.02 2 176 21 20 LEU HB3 H 1.277 0.02 2 177 21 20 LEU CG C 25.500 0.05 1 178 21 20 LEU HG H 0.726 0.02 1 179 21 20 LEU CD1 C 22.228 0.05 1 180 21 20 LEU HD1 H 0.235 0.02 1 181 21 20 LEU CD2 C 18.921 0.05 1 182 21 20 LEU HD2 H -0.366 0.02 1 183 22 21 ARG N N 119.500 0.05 1 184 22 21 ARG H H 8.951 0.02 1 185 22 21 ARG CA C 51.025 0.05 1 186 22 21 ARG HA H 4.821 0.02 1 187 22 21 ARG CB C 29.005 0.05 1 188 22 21 ARG HB2 H 1.691 0.02 2 189 22 21 ARG HB3 H 2.000 0.02 2 190 22 21 ARG CG C 23.876 0.05 1 191 22 21 ARG HG2 H 1.518 0.02 2 192 22 21 ARG HG3 H 1.368 0.02 2 193 22 21 ARG CD C 40.899 0.05 1 194 22 21 ARG HD2 H 3.280 0.02 2 195 23 22 PRO CA C 60.710 0.05 1 196 23 22 PRO HA H 4.372 0.02 1 197 23 22 PRO CB C 28.750 0.05 1 198 23 22 PRO HB2 H 1.941 0.02 2 199 23 22 PRO HB3 H 2.234 0.02 2 200 23 22 PRO CG C 25.449 0.05 1 201 23 22 PRO HG2 H 2.100 0.02 2 202 23 22 PRO CD C 47.716 0.05 1 203 23 22 PRO HD2 H 3.619 0.02 2 204 24 23 GLY N N 112.625 0.05 1 205 24 23 GLY H H 9.128 0.02 1 206 24 23 GLY CA C 43.437 0.05 1 207 24 23 GLY HA2 H 4.066 0.02 2 208 24 23 GLY HA3 H 3.687 0.02 2 209 25 24 GLY N N 107.938 0.05 1 210 25 24 GLY H H 8.126 0.02 1 211 25 24 GLY CA C 41.840 0.05 1 212 25 24 GLY HA2 H 4.183 0.02 2 213 25 24 GLY HA3 H 4.119 0.02 2 214 26 25 LYS N N 117.625 0.05 1 215 26 25 LYS H H 8.450 0.02 1 216 26 25 LYS CA C 56.591 0.05 1 217 26 25 LYS HA H 4.276 0.02 1 218 26 25 LYS CB C 31.335 0.05 1 219 26 25 LYS HB2 H 1.834 0.02 2 220 26 25 LYS CG C 23.191 0.05 1 221 26 25 LYS HG2 H 1.461 0.02 2 222 26 25 LYS CD C 26.380 0.05 1 223 26 25 LYS HD2 H 1.683 0.02 2 224 27 26 LYS N N 117.625 0.05 1 225 27 26 LYS H H 7.683 0.02 1 226 27 26 LYS CA C 54.505 0.05 1 227 27 26 LYS HA H 4.357 0.02 1 228 27 26 LYS CB C 31.077 0.05 1 229 27 26 LYS HB2 H 1.839 0.02 2 230 27 26 LYS CG C 23.107 0.05 1 231 27 26 LYS HG2 H 1.528 0.02 2 232 27 26 LYS CD C 26.411 0.05 1 233 27 26 LYS HD2 H 1.638 0.02 2 234 27 26 LYS CE C 39.552 0.05 1 235 27 26 LYS HE2 H 3.016 0.02 2 236 28 27 GLN N N 122.938 0.05 1 237 28 27 GLN H H 8.435 0.02 1 238 28 27 GLN CA C 51.890 0.05 1 239 28 27 GLN HA H 4.801 0.02 1 240 28 27 GLN CB C 30.896 0.05 1 241 28 27 GLN HB2 H 1.911 0.02 2 242 28 27 GLN HB3 H 1.798 0.02 2 243 28 27 GLN CG C 31.976 0.05 1 244 28 27 GLN HG2 H 1.996 0.02 2 245 29 28 TYR N N 119.812 0.05 1 246 29 28 TYR H H 7.860 0.02 1 247 29 28 TYR CA C 58.334 0.05 1 248 29 28 TYR HA H 3.709 0.02 1 249 29 28 TYR CB C 34.838 0.05 1 250 29 28 TYR HB2 H 1.979 0.02 2 251 29 28 TYR HB3 H 1.698 0.02 2 252 29 28 TYR CE2 C 113.851 0.05 1 253 29 28 TYR HE2 H 6.461 0.02 1 254 29 28 TYR CD2 C 130.140 0.05 1 255 29 28 TYR HD2 H 6.356 0.02 1 256 30 29 LYS N N 117.938 0.05 1 257 30 29 LYS H H 10.587 0.02 1 258 30 29 LYS CA C 51.323 0.05 1 259 30 29 LYS HA H 5.262 0.02 1 260 30 29 LYS CB C 34.529 0.05 1 261 30 29 LYS HB2 H 2.172 0.02 2 262 30 29 LYS HB3 H 1.773 0.02 2 263 30 29 LYS CG C 21.941 0.05 1 264 30 29 LYS HG2 H 1.643 0.02 2 265 30 29 LYS CD C 26.430 0.05 1 266 30 29 LYS HD2 H 1.819 0.02 2 267 31 30 LEU N N 128.562 0.05 1 268 31 30 LEU H H 10.012 0.02 1 269 31 30 LEU CA C 56.711 0.05 1 270 31 30 LEU HA H 4.135 0.02 1 271 31 30 LEU CB C 38.453 0.05 1 272 31 30 LEU HB2 H 1.921 0.02 2 273 31 30 LEU HB3 H 1.277 0.02 2 274 31 30 LEU CG C 24.571 0.05 1 275 31 30 LEU HG H 1.699 0.02 1 276 31 30 LEU CD1 C 21.382 0.05 1 277 31 30 LEU HD1 H 0.940 0.02 1 278 31 30 LEU CD2 C 22.797 0.05 1 279 31 30 LEU HD2 H 0.932 0.02 1 280 32 31 LYS N N 114.812 0.05 1 281 32 31 LYS H H 8.420 0.02 1 282 32 31 LYS CA C 56.352 0.05 1 283 32 31 LYS HA H 4.107 0.02 1 284 32 31 LYS CB C 29.058 0.05 1 285 32 31 LYS HB2 H 1.778 0.02 2 286 32 31 LYS HB3 H 1.978 0.02 2 287 32 31 LYS CG C 21.912 0.05 1 288 32 31 LYS HG2 H 1.660 0.02 2 289 32 31 LYS CD C 26.638 0.05 1 290 32 31 LYS HD2 H 1.532 0.02 2 291 33 32 HIS N N 118.875 0.05 1 292 33 32 HIS H H 8.199 0.02 1 293 33 32 HIS CA C 60.280 0.05 1 294 33 32 HIS HA H 4.567 0.02 1 295 33 32 HIS CB C 30.054 0.05 1 296 33 32 HIS HB2 H 3.872 0.02 2 297 33 32 HIS HB3 H 3.900 0.02 2 298 33 32 HIS CD2 C 114.394 0.05 1 299 33 32 HIS HD2 H 7.169 0.02 1 300 33 32 HIS CE1 C 134.949 0.05 1 301 33 32 HIS HE1 H 7.647 0.02 1 302 34 33 ILE N N 119.500 0.05 1 303 34 33 ILE H H 7.875 0.02 1 304 34 33 ILE CA C 61.775 0.05 1 305 34 33 ILE HA H 3.719 0.02 1 306 34 33 ILE CB C 35.099 0.05 1 307 34 33 ILE HB H 1.982 0.02 1 308 34 33 ILE CG1 C 26.543 0.05 1 309 34 33 ILE HG12 H 1.404 0.02 9 310 34 33 ILE HG13 H 0.335 0.02 9 311 34 33 ILE CD1 C 9.443 0.05 1 312 34 33 ILE HD1 H -0.262 0.02 1 313 34 33 ILE CG2 C 15.083 0.05 1 314 34 33 ILE HG2 H 0.691 0.02 1 315 35 34 VAL N N 120.750 0.05 1 316 35 34 VAL H H 7.742 0.02 1 317 35 34 VAL CA C 64.364 0.05 1 318 35 34 VAL HA H 3.420 0.02 1 319 35 34 VAL CB C 29.155 0.05 1 320 35 34 VAL HB H 2.131 0.02 1 321 35 34 VAL CG2 C 19.215 0.05 1 322 35 34 VAL HG2 H 1.026 0.02 1 323 35 34 VAL CG1 C 19.100 0.05 1 324 35 34 VAL HG1 H 0.938 0.02 1 325 36 35 TRP N N 120.750 0.05 1 326 36 35 TRP H H 8.656 0.02 1 327 36 35 TRP CA C 59.361 0.05 1 328 36 35 TRP HA H 4.217 0.02 1 329 36 35 TRP CB C 25.646 0.05 1 330 36 35 TRP HB2 H 3.543 0.02 2 331 36 35 TRP HB3 H 3.460 0.02 2 332 36 35 TRP CD1 C 125.117 0.05 1 333 36 35 TRP HD1 H 7.404 0.02 1 334 36 35 TRP NE1 N 131.062 0.05 1 335 36 35 TRP HE1 H 10.248 0.02 1 336 36 35 TRP CZ2 C 111.994 0.05 1 337 36 35 TRP HZ2 H 7.416 0.02 1 338 36 35 TRP CH2 C 121.363 0.05 1 339 36 35 TRP HH2 H 7.359 0.02 1 340 36 35 TRP CZ3 C 124.232 0.05 1 341 36 35 TRP HZ3 H 7.395 0.02 1 342 37 36 ALA N N 120.438 0.05 1 343 37 36 ALA H H 8.288 0.02 1 344 37 36 ALA CA C 52.526 0.05 1 345 37 36 ALA HA H 3.388 0.02 1 346 37 36 ALA CB C 14.591 0.05 1 347 37 36 ALA HB H 1.525 0.02 1 348 38 37 SER N N 111.375 0.05 1 349 38 37 SER H H 8.184 0.02 1 350 38 37 SER CA C 60.253 0.05 1 351 38 37 SER HA H 3.884 0.02 1 352 38 37 SER CB C 60.262 0.05 1 353 38 37 SER HB2 H 3.850 0.02 2 354 39 38 ARG N N 120.750 0.05 1 355 39 38 ARG H H 7.506 0.02 1 356 39 38 ARG CA C 55.764 0.05 1 357 39 38 ARG HA H 4.139 0.02 1 358 39 38 ARG CB C 27.200 0.05 1 359 39 38 ARG HB2 H 1.960 0.02 2 360 39 38 ARG CG C 24.502 0.05 1 361 39 38 ARG HG2 H 1.715 0.02 2 362 39 38 ARG CD C 40.708 0.05 1 363 39 38 ARG HD2 H 3.177 0.02 2 364 40 39 GLU N N 121.062 0.05 1 365 40 39 GLU H H 8.258 0.02 1 366 40 39 GLU CA C 55.531 0.05 1 367 40 39 GLU HA H 3.761 0.02 1 368 40 39 GLU CB C 27.062 0.05 1 369 40 39 GLU HB2 H 1.556 0.02 2 370 40 39 GLU CG C 34.549 0.05 1 371 40 39 GLU HG2 H 2.348 0.02 2 372 41 40 LEU N N 116.688 0.05 1 373 41 40 LEU H H 7.978 0.02 1 374 41 40 LEU CA C 55.203 0.05 1 375 41 40 LEU HA H 3.978 0.02 1 376 41 40 LEU CB C 37.625 0.05 1 377 41 40 LEU HB2 H 1.786 0.02 2 378 41 40 LEU HB3 H 1.398 0.02 2 379 41 40 LEU CG C 24.244 0.05 1 380 41 40 LEU HG H 1.699 0.02 1 381 41 40 LEU CD1 C 23.966 0.05 1 382 41 40 LEU HD1 H 0.830 0.02 1 383 41 40 LEU CD2 C 19.584 0.05 1 384 41 40 LEU HD2 H 0.767 0.02 1 385 42 41 GLU N N 117.312 0.05 1 386 42 41 GLU H H 7.536 0.02 1 387 42 41 GLU CA C 56.790 0.05 1 388 42 41 GLU HA H 4.102 0.02 1 389 42 41 GLU CB C 26.991 0.05 1 390 42 41 GLU HB2 H 2.103 0.02 2 391 42 41 GLU CG C 34.372 0.05 1 392 42 41 GLU HG2 H 2.587 0.02 2 393 43 42 ARG N N 119.812 0.05 1 394 43 42 ARG H H 7.654 0.02 1 395 43 42 ARG CA C 55.856 0.05 1 396 43 42 ARG HA H 4.033 0.02 1 397 43 42 ARG CB C 26.957 0.05 1 398 43 42 ARG HB2 H 1.668 0.02 2 399 43 42 ARG CG C 24.621 0.05 1 400 43 42 ARG HG2 H 1.496 0.02 2 401 43 42 ARG CD C 40.709 0.05 1 402 43 42 ARG HD2 H 3.056 0.02 2 403 44 43 PHE N N 117.625 0.05 1 404 44 43 PHE H H 7.521 0.02 1 405 44 43 PHE CA C 54.556 0.05 1 406 44 43 PHE HA H 4.607 0.02 1 407 44 43 PHE CB C 38.530 0.05 1 408 44 43 PHE HB2 H 3.410 0.02 2 409 44 43 PHE HB3 H 2.721 0.02 2 410 44 43 PHE CD1 C 128.427 0.05 1 411 44 43 PHE HD1 H 7.185 0.02 1 412 45 44 ALA N N 118.562 0.05 1 413 45 44 ALA H H 7.934 0.02 1 414 45 44 ALA CA C 50.714 0.05 1 415 45 44 ALA HA H 3.995 0.02 1 416 45 44 ALA CB C 13.537 0.05 1 417 45 44 ALA HB H 1.441 0.02 1 418 46 45 VAL N N 119.500 0.05 1 419 46 45 VAL H H 7.772 0.02 1 420 46 45 VAL CA C 57.920 0.05 1 421 46 45 VAL HA H 4.097 0.02 1 422 46 45 VAL CB C 30.788 0.05 1 423 46 45 VAL HB H 1.765 0.02 1 424 46 45 VAL CG2 C 18.775 0.05 1 425 46 45 VAL HG2 H 0.847 0.02 1 426 46 45 VAL CG1 C 19.128 0.05 1 427 46 45 VAL HG1 H 0.805 0.02 1 428 47 46 ASN N N 125.750 0.05 1 429 47 46 ASN H H 8.376 0.02 1 430 47 46 ASN CA C 48.285 0.05 1 431 47 46 ASN HA H 4.692 0.02 1 432 47 46 ASN CB C 36.450 0.05 1 433 47 46 ASN HB2 H 2.861 0.02 2 434 48 47 PRO CA C 61.643 0.05 1 435 48 47 PRO HA H 4.208 0.02 1 436 48 47 PRO CB C 29.446 0.05 1 437 48 47 PRO HB2 H 1.941 0.02 2 438 48 47 PRO HB3 H 2.371 0.02 2 439 48 47 PRO CG C 25.110 0.05 1 440 48 47 PRO HG2 H 1.999 0.02 2 441 48 47 PRO HG3 H 1.736 0.02 2 442 48 47 PRO CD C 48.204 0.05 1 443 48 47 PRO HD2 H 4.091 0.02 2 444 48 47 PRO HD3 H 3.885 0.02 2 445 49 48 GLY N N 106.375 0.05 1 446 49 48 GLY H H 8.494 0.02 1 447 49 48 GLY CA C 43.863 0.05 1 448 49 48 GLY HA2 H 3.743 0.02 2 449 49 48 GLY HA3 H 3.957 0.02 2 450 50 49 LEU N N 122.312 0.05 1 451 50 49 LEU H H 7.816 0.02 1 452 50 49 LEU CA C 54.548 0.05 1 453 50 49 LEU HA H 4.092 0.02 1 454 50 49 LEU CB C 39.186 0.05 1 455 50 49 LEU HB2 H 1.696 0.02 2 456 50 49 LEU HB3 H 1.413 0.02 2 457 50 49 LEU CG C 25.211 0.05 1 458 50 49 LEU HG H 1.742 0.02 1 459 50 49 LEU CD1 C 23.225 0.05 1 460 50 49 LEU HD1 H 0.939 0.02 1 461 50 49 LEU CD2 C 19.913 0.05 1 462 50 49 LEU HD2 H 0.840 0.02 1 463 51 50 LEU N N 112.312 0.05 1 464 51 50 LEU H H 7.492 0.02 1 465 51 50 LEU CA C 53.870 0.05 1 466 51 50 LEU HA H 4.136 0.02 1 467 51 50 LEU CB C 39.524 0.05 1 468 51 50 LEU HB2 H 1.305 0.02 2 469 51 50 LEU HB3 H 1.793 0.02 2 470 51 50 LEU CG C 24.441 0.05 1 471 51 50 LEU HG H 1.648 0.02 1 472 51 50 LEU CD1 C 21.657 0.05 1 473 51 50 LEU HD1 H 0.726 0.02 1 474 51 50 LEU CD2 C 22.926 0.05 1 475 51 50 LEU HD2 H 0.741 0.02 1 476 52 51 GLU N N 113.562 0.05 1 477 52 51 GLU H H 7.433 0.02 1 478 52 51 GLU CA C 55.841 0.05 1 479 52 51 GLU HA H 3.843 0.02 1 480 52 51 GLU CB C 28.772 0.05 1 481 52 51 GLU HB2 H 2.098 0.02 2 482 52 51 GLU HB3 H 2.124 0.02 2 483 52 51 GLU CG C 34.915 0.05 1 484 52 51 GLU HG2 H 2.325 0.02 2 485 52 51 GLU HG3 H 2.198 0.02 2 486 53 52 THR N N 123.562 0.05 1 487 53 52 THR H H 7.212 0.02 1 488 53 52 THR CA C 55.710 0.05 1 489 53 52 THR HA H 4.350 0.02 1 490 53 52 THR CB C 70.529 0.05 1 491 53 52 THR HB H 4.482 0.02 1 492 53 52 THR CG2 C 18.843 0.05 1 493 53 52 THR HG2 H 1.045 0.02 1 494 54 53 SER N N 119.188 0.05 1 495 54 53 SER H H 9.187 0.02 1 496 54 53 SER CA C 59.659 0.05 1 497 54 53 SER HA H 3.838 0.02 1 498 54 53 SER CB C 59.589 0.05 1 499 54 53 SER HB2 H 3.829 0.02 2 500 55 54 GLU N N 121.375 0.05 1 501 55 54 GLU H H 8.848 0.02 1 502 55 54 GLU CA C 57.101 0.05 1 503 55 54 GLU HA H 4.066 0.02 1 504 55 54 GLU CB C 26.326 0.05 1 505 55 54 GLU HB2 H 1.982 0.02 2 506 55 54 GLU HB3 H 1.923 0.02 2 507 55 54 GLU CG C 33.402 0.05 1 508 55 54 GLU HG2 H 2.342 0.02 2 509 55 54 GLU HG3 H 2.277 0.02 2 510 56 55 GLY N N 110.750 0.05 1 511 56 55 GLY H H 8.465 0.02 1 512 56 55 GLY CA C 45.206 0.05 1 513 56 55 GLY HA2 H 4.629 0.02 2 514 56 55 GLY HA3 H 3.786 0.02 2 515 57 56 CYS N N 118.562 0.05 1 516 57 56 CYS H H 8.126 0.02 1 517 57 56 CYS CA C 61.665 0.05 1 518 57 56 CYS HA H 4.009 0.02 1 519 57 56 CYS CB C 45.100 0.05 1 520 57 56 CYS HB2 H 2.499 0.02 2 521 57 56 CYS HB3 H 3.483 0.02 2 522 58 57 ARG N N 119.500 0.05 1 523 58 57 ARG H H 8.479 0.02 1 524 58 57 ARG CA C 57.048 0.05 1 525 58 57 ARG HA H 3.537 0.02 1 526 58 57 ARG CB C 27.353 0.05 1 527 58 57 ARG HB2 H 1.969 0.02 2 528 58 57 ARG CG C 25.042 0.05 1 529 58 57 ARG HG2 H 1.534 0.02 2 530 58 57 ARG CD C 40.638 0.05 1 531 58 57 ARG HD2 H 3.129 0.02 2 532 59 58 GLN N N 119.812 0.05 1 533 59 58 GLN H H 7.963 0.02 1 534 59 58 GLN CA C 56.638 0.05 1 535 59 58 GLN HA H 4.065 0.02 1 536 59 58 GLN CB C 25.548 0.05 1 537 59 58 GLN HB2 H 2.274 0.02 2 538 59 58 GLN CG C 31.315 0.05 1 539 59 58 GLN HG2 H 2.459 0.02 2 540 59 58 GLN HG3 H 2.279 0.02 2 541 60 59 ILE N N 120.750 0.05 1 542 60 59 ILE H H 8.155 0.02 1 543 60 59 ILE CA C 63.249 0.05 1 544 60 59 ILE HA H 3.526 0.02 1 545 60 59 ILE CB C 38.685 0.05 1 546 60 59 ILE HB H 1.870 0.02 1 547 60 59 ILE CG1 C 16.000 0.05 1 548 60 59 ILE HG12 H 0.798 0.02 1 549 60 59 ILE HG13 H 0.798 0.02 1 550 60 59 ILE CD1 C 12.041 0.05 1 551 60 59 ILE HD1 H 0.736 0.02 1 552 60 59 ILE CG2 C 15.726 0.05 1 553 60 59 ILE HG2 H 0.798 0.02 1 554 61 60 LEU N N 118.875 0.05 1 555 61 60 LEU H H 8.376 0.02 1 556 61 60 LEU CA C 56.026 0.05 1 557 61 60 LEU HA H 3.873 0.02 1 558 61 60 LEU CB C 38.224 0.05 1 559 61 60 LEU HB2 H 1.762 0.02 2 560 61 60 LEU HB3 H 1.285 0.02 2 561 61 60 LEU CG C 23.320 0.05 1 562 61 60 LEU HG H 1.635 0.02 1 563 61 60 LEU CD1 C 22.742 0.05 1 564 61 60 LEU HD1 H 0.353 0.02 1 565 61 60 LEU CD2 C 19.567 0.05 1 566 61 60 LEU HD2 H 0.014 0.02 1 567 62 61 GLY N N 103.562 0.05 1 568 62 61 GLY H H 7.875 0.02 1 569 62 61 GLY CA C 44.565 0.05 1 570 62 61 GLY HA2 H 3.905 0.02 2 571 62 61 GLY HA3 H 3.999 0.02 2 572 63 62 GLN N N 119.812 0.05 1 573 63 62 GLN H H 7.772 0.02 1 574 63 62 GLN CA C 55.496 0.05 1 575 63 62 GLN HA H 4.185 0.02 1 576 63 62 GLN CB C 26.408 0.05 1 577 63 62 GLN HB2 H 2.137 0.02 2 578 63 62 GLN CG C 31.407 0.05 1 579 63 62 GLN HG2 H 2.421 0.02 2 580 64 63 LEU N N 117.000 0.05 1 581 64 63 LEU H H 8.214 0.02 1 582 64 63 LEU CA C 53.312 0.05 1 583 64 63 LEU HA H 4.213 0.02 1 584 64 63 LEU CB C 41.354 0.05 1 585 64 63 LEU HB2 H 2.013 0.02 2 586 64 63 LEU HB3 H 1.409 0.02 2 587 64 63 LEU CG C 23.882 0.05 1 588 64 63 LEU HG H 1.936 0.02 1 589 64 63 LEU CD1 C 23.278 0.05 1 590 64 63 LEU HD1 H 0.706 0.02 1 591 64 63 LEU CD2 C 18.838 0.05 1 592 64 63 LEU HD2 H 0.564 0.02 1 593 65 64 GLN N N 118.875 0.05 1 594 65 64 GLN H H 8.111 0.02 1 595 65 64 GLN CA C 58.862 0.05 1 596 65 64 GLN HA H 3.766 0.02 1 597 65 64 GLN CB C 23.463 0.05 1 598 65 64 GLN HB2 H 2.600 0.02 2 599 65 64 GLN HB3 H 2.165 0.02 2 600 65 64 GLN CG C 31.253 0.05 1 601 65 64 GLN HG2 H 2.549 0.02 2 602 65 64 GLN HG3 H 2.300 0.02 2 603 66 65 PRO CA C 63.201 0.05 1 604 66 65 PRO HA H 4.359 0.02 1 605 66 65 PRO CB C 28.451 0.05 1 606 66 65 PRO HB2 H 2.372 0.02 2 607 66 65 PRO HB3 H 1.865 0.02 2 608 66 65 PRO CG C 25.332 0.05 1 609 66 65 PRO HG2 H 2.058 0.02 2 610 66 65 PRO HG3 H 1.992 0.02 2 611 66 65 PRO CD C 48.220 0.05 1 612 66 65 PRO HD3 H 3.503 0.02 2 613 66 65 PRO HD2 H 3.786 0.02 2 614 67 66 SER N N 111.375 0.05 1 615 67 66 SER H H 7.816 0.02 1 616 67 66 SER CA C 56.938 0.05 1 617 67 66 SER HA H 4.474 0.02 1 618 67 66 SER CB C 61.336 0.05 1 619 67 66 SER HB2 H 3.957 0.02 2 620 68 67 LEU N N 121.062 0.05 1 621 68 67 LEU H H 7.639 0.02 1 622 68 67 LEU CA C 55.246 0.05 1 623 68 67 LEU HA H 3.818 0.02 1 624 68 67 LEU CB C 39.082 0.05 1 625 68 67 LEU HB2 H 1.629 0.02 2 626 68 67 LEU HB3 H 1.430 0.02 2 627 68 67 LEU CG C 23.460 0.05 1 628 68 67 LEU HG H 1.430 0.02 1 629 68 67 LEU CD1 C 21.326 0.05 1 630 68 67 LEU HD1 H 0.102 0.02 1 631 68 67 LEU CD2 C 19.545 0.05 1 632 68 67 LEU HD2 H 0.335 0.02 1 633 69 68 GLN N N 116.375 0.05 1 634 69 68 GLN H H 8.052 0.02 1 635 69 68 GLN CA C 55.767 0.05 1 636 69 68 GLN HA H 4.077 0.02 1 637 69 68 GLN CB C 25.780 0.05 1 638 69 68 GLN HB2 H 2.125 0.02 2 639 69 68 GLN HB3 H 1.748 0.02 2 640 69 68 GLN CG C 31.119 0.05 1 641 69 68 GLN HG2 H 2.392 0.02 2 642 69 68 GLN C C 175.700 0.05 1 643 70 69 THR N N 106.688 0.05 1 644 70 69 THR H H 7.506 0.02 1 645 70 69 THR CA C 58.852 0.05 1 646 70 69 THR HA H 4.470 0.02 1 647 70 69 THR CB C 66.758 0.05 1 648 70 69 THR HB H 4.492 0.02 1 649 70 69 THR CG2 C 18.903 0.05 1 650 70 69 THR HG2 H 1.192 0.02 1 651 71 70 GLY N N 109.812 0.05 1 652 71 70 GLY H H 7.683 0.02 1 653 71 70 GLY CA C 42.788 0.05 1 654 71 70 GLY HA2 H 4.128 0.02 2 655 71 70 GLY HA3 H 3.884 0.02 2 656 72 71 SER N N 114.500 0.05 1 657 72 71 SER H H 8.022 0.02 1 658 72 71 SER CA C 54.677 0.05 1 659 72 71 SER HA H 4.610 0.02 1 660 72 71 SER CB C 62.027 0.05 1 661 72 71 SER HB2 H 4.342 0.02 2 662 72 71 SER HB3 H 3.838 0.02 2 663 73 72 GLU N N 123.875 0.05 1 664 73 72 GLU H H 9.084 0.02 1 665 73 72 GLU CA C 56.859 0.05 1 666 73 72 GLU HA H 4.118 0.02 1 667 73 72 GLU CB C 26.599 0.05 1 668 73 72 GLU HB2 H 2.110 0.02 2 669 73 72 GLU HB3 H 2.014 0.02 2 670 73 72 GLU CG C 33.375 0.05 1 671 73 72 GLU HG2 H 2.362 0.02 2 672 74 73 GLU N N 120.264 0.05 1 673 74 73 GLU H H 8.569 0.02 1 674 74 73 GLU CA C 57.541 0.05 1 675 74 73 GLU HA H 4.273 0.02 1 676 74 73 GLU CB C 26.712 0.05 1 677 74 73 GLU HB2 H 2.194 0.02 2 678 74 73 GLU HB3 H 2.127 0.02 2 679 74 73 GLU CG C 33.946 0.05 1 680 74 73 GLU HG2 H 2.527 0.02 2 681 75 74 LEU N N 121.375 0.05 1 682 75 74 LEU H H 7.757 0.02 1 683 75 74 LEU CA C 55.927 0.05 1 684 75 74 LEU HA H 4.128 0.02 1 685 75 74 LEU CB C 38.450 0.05 1 686 75 74 LEU HB2 H 1.856 0.02 2 687 75 74 LEU HB3 H 1.732 0.02 2 688 75 74 LEU CG C 24.963 0.05 1 689 75 74 LEU HG H 1.670 0.02 1 690 75 74 LEU CD1 C 21.930 0.05 1 691 75 74 LEU HD1 H 0.804 0.02 1 692 75 74 LEU CD2 C 22.376 0.05 1 693 75 74 LEU HD2 H 0.805 0.02 1 694 76 75 ARG N N 119.500 0.05 1 695 76 75 ARG H H 7.845 0.02 1 696 76 75 ARG CA C 57.023 0.05 1 697 76 75 ARG HA H 3.878 0.02 1 698 76 75 ARG CB C 26.732 0.05 1 699 76 75 ARG HB2 H 2.021 0.02 2 700 76 75 ARG CG C 24.705 0.05 1 701 76 75 ARG HG2 H 1.689 0.02 2 702 76 75 ARG CD C 40.374 0.05 1 703 76 75 ARG HD2 H 3.321 0.02 2 704 77 76 SER N N 114.188 0.05 1 705 77 76 SER H H 8.553 0.02 1 706 77 76 SER CA C 60.070 0.05 1 707 77 76 SER HA H 4.249 0.02 1 708 77 76 SER CB C 60.068 0.05 1 709 77 76 SER HB2 H 4.257 0.02 2 710 78 77 LEU N N 125.750 0.05 1 711 78 77 LEU H H 8.435 0.02 1 712 78 77 LEU CA C 56.358 0.05 1 713 78 77 LEU HA H 4.441 0.02 1 714 78 77 LEU CB C 39.491 0.05 1 715 78 77 LEU HB2 H 2.376 0.02 2 716 78 77 LEU HB3 H 1.762 0.02 2 717 78 77 LEU CG C 24.498 0.05 1 718 78 77 LEU HG H 1.536 0.02 1 719 78 77 LEU CD1 C 21.685 0.05 1 720 78 77 LEU HD1 H 0.819 0.02 1 721 78 77 LEU CD2 C 23.141 0.05 1 722 78 77 LEU HD2 H 0.778 0.02 1 723 79 78 TYR N N 120.375 0.05 1 724 79 78 TYR H H 8.671 0.02 1 725 79 78 TYR CA C 60.103 0.05 1 726 79 78 TYR HA H 3.657 0.02 1 727 79 78 TYR CB C 37.010 0.05 1 728 79 78 TYR HB2 H 3.290 0.02 2 729 79 78 TYR HB3 H 2.693 0.02 2 730 79 78 TYR CD1 C 130.789 0.05 1 731 79 78 TYR HD1 H 7.065 0.02 1 732 79 78 TYR CE1 C 115.769 0.05 1 733 79 78 TYR HE1 H 6.826 0.02 1 734 80 79 ASN N N 117.000 0.05 1 735 80 79 ASN H H 8.863 0.02 1 736 80 79 ASN CA C 53.129 0.05 1 737 80 79 ASN HA H 4.354 0.02 1 738 80 79 ASN CB C 35.129 0.05 1 739 80 79 ASN HB2 H 2.982 0.02 2 740 80 79 ASN HB3 H 2.745 0.02 2 741 81 80 THR N N 115.750 0.05 1 742 81 80 THR H H 8.096 0.02 1 743 81 80 THR CA C 65.142 0.05 1 744 81 80 THR HA H 3.917 0.02 1 745 81 80 THR CB C 66.645 0.05 1 746 81 80 THR HB H 4.755 0.02 1 747 81 80 THR CG2 C 18.319 0.05 1 748 81 80 THR HG2 H 1.441 0.02 1 749 82 81 ILE N N 121.062 0.05 1 750 82 81 ILE H H 8.022 0.02 1 751 82 81 ILE CA C 61.411 0.05 1 752 82 81 ILE HA H 3.644 0.02 1 753 82 81 ILE CB C 33.881 0.05 1 754 82 81 ILE HB H 1.866 0.02 1 755 82 81 ILE CG1 C 26.189 0.05 1 756 82 81 ILE HG12 H 1.222 0.02 9 757 82 81 ILE HG13 H 1.698 0.02 9 758 82 81 ILE CD1 C 11.341 0.05 1 759 82 81 ILE HD1 H 0.809 0.02 1 760 82 81 ILE CG2 C 15.256 0.05 1 761 82 81 ILE HG2 H 0.819 0.02 1 762 83 82 ALA N N 125.125 0.05 1 763 83 82 ALA H H 8.759 0.02 1 764 83 82 ALA CA C 53.136 0.05 1 765 83 82 ALA HA H 3.885 0.02 1 766 83 82 ALA CB C 15.103 0.05 1 767 83 82 ALA HB H 1.306 0.02 1 768 84 83 VAL N N 117.312 0.05 1 769 84 83 VAL H H 7.801 0.02 1 770 84 83 VAL CA C 64.662 0.05 1 771 84 83 VAL HA H 3.338 0.02 1 772 84 83 VAL CB C 28.256 0.05 1 773 84 83 VAL HB H 1.982 0.02 1 774 84 83 VAL CG2 C 20.787 0.05 1 775 84 83 VAL HG2 H 0.939 0.02 1 776 84 83 VAL CG1 C 21.978 0.05 1 777 84 83 VAL HG1 H 0.374 0.02 1 778 85 84 LEU N N 122.000 0.05 1 779 85 84 LEU H H 8.140 0.02 1 780 85 84 LEU CA C 55.714 0.05 1 781 85 84 LEU HA H 3.827 0.02 1 782 85 84 LEU CB C 39.387 0.05 1 783 85 84 LEU HB2 H 1.853 0.02 2 784 85 84 LEU HB3 H 1.558 0.02 2 785 85 84 LEU CG C 24.010 0.05 1 786 85 84 LEU HG H 1.418 0.02 1 787 85 84 LEU CD1 C 23.151 0.05 1 788 85 84 LEU HD1 H 0.501 0.02 1 789 85 84 LEU CD2 C 20.670 0.05 1 790 85 84 LEU HD2 H 0.279 0.02 1 791 86 85 TYR N N 118.875 0.05 1 792 86 85 TYR H H 9.054 0.02 1 793 86 85 TYR CA C 60.033 0.05 1 794 86 85 TYR HA H 3.950 0.02 1 795 86 85 TYR CB C 35.700 0.05 1 796 86 85 TYR HB2 H 3.441 0.02 2 797 86 85 TYR HB3 H 2.902 0.02 2 798 86 85 TYR CD1 C 130.751 0.05 1 799 86 85 TYR HD1 H 7.170 0.02 1 800 86 85 TYR CE1 C 115.737 0.05 1 801 86 85 TYR HE1 H 6.660 0.02 1 802 86 85 TYR CE2 C 115.550 0.05 1 803 86 85 TYR HE2 H 6.747 0.02 1 804 86 85 TYR CD2 C 130.808 0.05 1 805 86 85 TYR HD2 H 7.135 0.02 1 806 87 86 CYS N N 116.085 0.05 1 807 87 86 CYS H H 7.550 0.02 1 808 87 86 CYS CA C 63.472 0.05 1 809 87 86 CYS HA H 3.677 0.02 1 810 87 86 CYS CB C 43.911 0.05 1 811 87 86 CYS HB2 H 3.368 0.02 2 812 87 86 CYS HB3 H 2.849 0.02 2 813 88 87 VAL N N 120.438 0.05 1 814 88 87 VAL H H 8.302 0.02 1 815 88 87 VAL CA C 63.741 0.05 1 816 88 87 VAL HA H 3.857 0.02 1 817 88 87 VAL CB C 28.529 0.05 1 818 88 87 VAL HB H 2.126 0.02 1 819 88 87 VAL CG2 C 20.882 0.05 1 820 88 87 VAL HG2 H 1.067 0.02 1 821 88 87 VAL CG1 C 18.802 0.05 1 822 88 87 VAL HG1 H 0.912 0.02 1 823 89 88 HIS N N 120.125 0.05 1 824 89 88 HIS H H 8.789 0.02 1 825 89 88 HIS CA C 55.695 0.05 1 826 89 88 HIS HA H 4.615 0.02 1 827 89 88 HIS CB C 27.943 0.05 1 828 89 88 HIS HB3 H 3.067 0.02 2 829 89 88 HIS HB2 H 3.250 0.02 2 830 89 88 HIS CD2 C 115.606 0.05 1 831 89 88 HIS HD2 H 6.757 0.02 1 832 89 88 HIS HE1 H 7.209 0.02 1 833 90 89 GLN N N 115.750 0.05 1 834 90 89 GLN H H 7.816 0.02 1 835 90 89 GLN CA C 52.701 0.05 1 836 90 89 GLN HA H 4.366 0.02 1 837 90 89 GLN CB C 28.285 0.05 1 838 90 89 GLN HB2 H 2.010 0.02 2 839 90 89 GLN HB3 H 1.668 0.02 2 840 90 89 GLN CG C 30.735 0.05 1 841 90 89 GLN HG2 H 1.782 0.02 2 842 91 90 ARG N N 115.750 0.05 1 843 91 90 ARG H H 7.949 0.02 1 844 91 90 ARG CA C 54.411 0.05 1 845 91 90 ARG HA H 3.954 0.02 1 846 91 90 ARG CB C 23.443 0.05 1 847 91 90 ARG HB2 H 2.092 0.02 2 848 91 90 ARG HB3 H 1.995 0.02 2 849 91 90 ARG CG C 24.954 0.05 1 850 91 90 ARG HG2 H 1.596 0.02 2 851 91 90 ARG CD C 40.783 0.05 1 852 91 90 ARG HD2 H 3.193 0.02 2 853 92 91 ILE N N 120.438 0.05 1 854 92 91 ILE H H 8.302 0.02 1 855 92 91 ILE CA C 58.145 0.05 1 856 92 91 ILE HA H 4.014 0.02 1 857 92 91 ILE CB C 36.428 0.05 1 858 92 91 ILE HB H 1.523 0.02 1 859 92 91 ILE CG1 C 24.530 0.05 1 860 92 91 ILE HG12 H 1.459 0.02 9 861 92 91 ILE HG13 H 0.939 0.02 9 862 92 91 ILE CD1 C 10.794 0.05 1 863 92 91 ILE HD1 H 0.840 0.02 1 864 92 91 ILE CG2 C 15.115 0.05 1 865 92 91 ILE HG2 H 0.798 0.02 1 866 93 92 ASP N N 129.188 0.05 1 867 93 92 ASP H H 8.597 0.02 1 868 93 92 ASP CA C 52.106 0.05 1 869 93 92 ASP HA H 4.480 0.02 1 870 93 92 ASP CB C 37.691 0.05 1 871 93 92 ASP HB2 H 2.685 0.02 2 872 93 92 ASP HB3 H 2.414 0.02 2 873 94 93 VAL N N 116.062 0.05 1 874 94 93 VAL H H 7.742 0.02 1 875 94 93 VAL CA C 56.393 0.05 1 876 94 93 VAL HA H 4.610 0.02 1 877 94 93 VAL CB C 32.580 0.05 1 878 94 93 VAL HB H 2.126 0.02 1 879 94 93 VAL CG2 C 19.637 0.05 1 880 94 93 VAL HG2 H 0.892 0.02 1 881 94 93 VAL CG1 C 16.543 0.05 1 882 94 93 VAL HG1 H 0.819 0.02 1 883 95 94 LYS N N 118.875 0.05 1 884 95 94 LYS H H 9.231 0.02 1 885 95 94 LYS CA C 53.882 0.05 1 886 95 94 LYS HA H 4.364 0.02 1 887 95 94 LYS CB C 31.382 0.05 1 888 95 94 LYS HB2 H 1.778 0.02 2 889 95 94 LYS CG C 21.746 0.05 1 890 95 94 LYS HG2 H 1.546 0.02 2 891 95 94 LYS CD C 27.611 0.05 1 892 95 94 LYS HD2 H 2.112 0.02 2 893 95 94 LYS CE C 39.227 0.05 1 894 95 94 LYS HE2 H 3.013 0.02 2 895 96 95 ASP N N 112.000 0.05 1 896 96 95 ASP H H 7.403 0.02 1 897 96 95 ASP CA C 50.167 0.05 1 898 96 95 ASP HA H 5.573 0.02 1 899 96 95 ASP CB C 41.940 0.05 1 900 96 95 ASP HB2 H 2.593 0.02 2 901 96 95 ASP HB3 H 2.089 0.02 2 902 97 96 THR N N 109.500 0.05 1 903 97 96 THR H H 7.212 0.02 1 904 97 96 THR CA C 63.270 0.05 1 905 97 96 THR HA H 3.650 0.02 1 906 97 96 THR CB C 67.614 0.05 1 907 97 96 THR HB H 4.030 0.02 1 908 97 96 THR CG2 C 19.802 0.05 1 909 97 96 THR HG2 H 1.310 0.02 1 910 98 97 LYS N N 121.062 0.05 1 911 98 97 LYS H H 7.860 0.02 1 912 98 97 LYS CA C 57.019 0.05 1 913 98 97 LYS HA H 3.918 0.02 1 914 98 97 LYS CB C 29.240 0.05 1 915 98 97 LYS HB2 H 2.103 0.02 2 916 98 97 LYS CG C 21.812 0.05 1 917 98 97 LYS HG2 H 1.448 0.02 2 918 98 97 LYS CD C 25.442 0.05 1 919 98 97 LYS HD2 H 2.060 0.02 2 920 99 98 GLU N N 119.188 0.05 1 921 99 98 GLU H H 8.347 0.02 1 922 99 98 GLU CA C 57.074 0.05 1 923 99 98 GLU HA H 4.090 0.02 1 924 99 98 GLU CB C 27.631 0.05 1 925 99 98 GLU HB2 H 2.105 0.02 2 926 99 98 GLU CG C 34.514 0.05 1 927 99 98 GLU HG2 H 2.442 0.02 2 928 99 98 GLU HG3 H 2.709 0.02 2 929 100 99 ALA N N 118.875 0.05 1 930 100 99 ALA H H 7.374 0.02 1 931 100 99 ALA CA C 52.681 0.05 1 932 100 99 ALA HA H 4.423 0.02 1 933 100 99 ALA CB C 17.069 0.05 1 934 100 99 ALA HB H 1.519 0.02 1 935 101 100 LEU N N 117.938 0.05 1 936 101 100 LEU H H 8.140 0.02 1 937 101 100 LEU CA C 55.324 0.05 1 938 101 100 LEU HA H 4.015 0.02 1 939 101 100 LEU CB C 38.813 0.05 1 940 101 100 LEU HB2 H 2.062 0.02 2 941 101 100 LEU HB3 H 1.627 0.02 2 942 101 100 LEU CG C 24.428 0.05 1 943 101 100 LEU HG H 1.879 0.02 1 944 101 100 LEU CD1 C 23.091 0.05 1 945 101 100 LEU HD1 H 0.913 0.02 1 946 101 100 LEU CD2 C 19.250 0.05 1 947 101 100 LEU HD2 H 0.985 0.02 1 948 102 101 ASP N N 120.438 0.05 1 949 102 101 ASP H H 8.671 0.02 1 950 102 101 ASP CA C 54.647 0.05 1 951 102 101 ASP HA H 4.334 0.02 1 952 102 101 ASP CB C 37.104 0.05 1 953 102 101 ASP HB2 H 2.868 0.02 2 954 102 101 ASP HB3 H 2.538 0.02 2 955 103 102 LYS N N 120.438 0.05 1 956 103 102 LYS H H 8.170 0.02 1 957 103 102 LYS CA C 55.548 0.05 1 958 103 102 LYS HA H 4.116 0.02 1 959 103 102 LYS CB C 28.798 0.05 1 960 103 102 LYS HB2 H 2.233 0.02 2 961 103 102 LYS HB3 H 1.907 0.02 2 962 103 102 LYS CG C 21.449 0.05 1 963 103 102 LYS HG2 H 1.793 0.02 2 964 103 102 LYS CD C 25.317 0.05 1 965 103 102 LYS HD2 H 1.867 0.02 2 966 104 103 ILE N N 120.125 0.05 1 967 104 103 ILE H H 8.155 0.02 1 968 104 103 ILE CA C 60.414 0.05 1 969 104 103 ILE HA H 3.810 0.02 1 970 104 103 ILE CB C 35.048 0.05 1 971 104 103 ILE HB H 1.956 0.02 1 972 104 103 ILE HG12 H 1.627 0.02 9 973 104 103 ILE HG13 H 1.264 0.02 9 974 104 103 ILE CD1 C 11.426 0.05 1 975 104 103 ILE HD1 H 0.812 0.02 1 976 104 103 ILE CG2 C 15.175 0.05 1 977 104 103 ILE HG2 H 0.809 0.02 1 978 105 104 GLU N N 121.375 0.05 1 979 105 104 GLU H H 8.008 0.02 1 980 105 104 GLU CA C 56.877 0.05 1 981 105 104 GLU HA H 4.102 0.02 1 982 105 104 GLU CB C 30.097 0.05 1 983 105 104 GLU HB2 H 1.803 0.02 2 984 105 104 GLU CG C 33.347 0.05 1 985 105 104 GLU HG2 H 2.342 0.02 2 986 106 105 GLU N N 119.188 0.05 1 987 106 105 GLU H H 7.993 0.02 1 988 106 105 GLU CA C 56.471 0.05 1 989 106 105 GLU HA H 3.999 0.02 1 990 106 105 GLU CB C 26.786 0.05 1 991 106 105 GLU HB2 H 2.180 0.02 2 992 106 105 GLU CG C 33.806 0.05 1 993 106 105 GLU HG2 H 2.445 0.02 2 994 107 106 GLU N N 118.875 0.05 1 995 107 106 GLU H H 7.978 0.02 1 996 107 106 GLU CA C 56.713 0.05 1 997 107 106 GLU HA H 4.091 0.02 1 998 107 106 GLU CB C 27.044 0.05 1 999 107 106 GLU HB2 H 2.197 0.02 2 1000 107 106 GLU CG C 33.844 0.05 1 1001 107 106 GLU HG2 H 2.451 0.02 2 1002 108 107 GLN N N 118.562 0.05 1 1003 108 107 GLN H H 8.243 0.02 1 1004 108 107 GLN CA C 55.634 0.05 1 1005 108 107 GLN HA H 4.159 0.02 1 1006 108 107 GLN CB C 26.229 0.05 1 1007 108 107 GLN HB2 H 2.144 0.02 2 1008 108 107 GLN CG C 31.389 0.05 1 1009 108 107 GLN HG2 H 2.603 0.02 2 1010 109 108 ASN N N 118.562 0.05 1 1011 109 108 ASN H H 8.229 0.02 1 1012 109 108 ASN CA C 52.108 0.05 1 1013 109 108 ASN HA H 4.591 0.02 1 1014 109 108 ASN CB C 35.790 0.05 1 1015 109 108 ASN HB2 H 2.891 0.02 2 1016 110 109 LYS N N 120.125 0.05 1 1017 110 109 LYS H H 8.022 0.02 1 1018 110 109 LYS CA C 55.519 0.05 1 1019 110 109 LYS HA H 4.193 0.02 1 1020 110 109 LYS CB C 30.011 0.05 1 1021 110 109 LYS HB2 H 1.888 0.02 2 1022 110 109 LYS CG C 21.951 0.05 1 1023 110 109 LYS HG2 H 1.581 0.02 2 1024 110 109 LYS HG3 H 1.495 0.02 2 1025 110 109 LYS CD C 26.866 0.05 1 1026 110 109 LYS HD2 H 2.201 0.02 2 1027 110 109 LYS CE C 39.566 0.05 1 1028 110 109 LYS HE2 H 3.003 0.02 2 1029 111 110 SER N N 114.500 0.05 1 1030 111 110 SER H H 8.037 0.02 1 1031 111 110 SER CA C 57.144 0.05 1 1032 111 110 SER HA H 4.371 0.02 1 1033 111 110 SER CB C 60.783 0.05 1 1034 111 110 SER HB2 H 3.983 0.02 2 1035 112 111 LYS N N 122.000 0.05 1 1036 112 111 LYS H H 7.949 0.02 1 1037 112 111 LYS CA C 54.617 0.05 1 1038 112 111 LYS HA H 4.257 0.02 1 1039 112 111 LYS CB C 30.097 0.05 1 1040 112 111 LYS HB2 H 1.865 0.02 2 1041 112 111 LYS CG C 21.881 0.05 1 1042 112 111 LYS HG2 H 1.497 0.02 2 1043 112 111 LYS CD C 26.376 0.05 1 1044 112 111 LYS HD2 H 1.640 0.02 2 1045 113 112 LYS N N 120.750 0.05 1 1046 113 112 LYS H H 8.022 0.02 1 1047 113 112 LYS CA C 56.143 0.05 1 1048 113 112 LYS HA H 4.127 0.02 1 1049 113 112 LYS CB C 30.062 0.05 1 1050 113 112 LYS HB2 H 1.864 0.02 2 1051 113 112 LYS CG C 21.884 0.05 1 1052 113 112 LYS HG2 H 1.527 0.02 2 1053 113 112 LYS CD C 26.353 0.05 1 1054 113 112 LYS HD2 H 1.684 0.02 2 1055 113 112 LYS CE C 39.513 0.05 1 1056 113 112 LYS HE2 H 2.971 0.02 2 1057 114 113 LYS N N 121.688 0.05 1 1058 114 113 LYS H H 8.126 0.02 1 1059 114 113 LYS CA C 54.323 0.05 1 1060 114 113 LYS HA H 4.212 0.02 1 1061 114 113 LYS CB C 30.135 0.05 1 1062 114 113 LYS HB2 H 1.834 0.02 2 1063 114 113 LYS CG C 21.921 0.05 1 1064 114 113 LYS HG2 H 1.469 0.02 2 1065 114 113 LYS CD C 26.474 0.05 1 1066 114 113 LYS HD2 H 1.754 0.02 2 1067 114 113 LYS CE C 39.501 0.05 1 1068 114 113 LYS HE2 H 3.053 0.02 2 1069 115 114 ALA N N 123.188 0.05 1 1070 115 114 ALA H H 8.164 0.02 1 1071 115 114 ALA CA C 50.260 0.05 1 1072 115 114 ALA HA H 4.242 0.02 1 1073 115 114 ALA CB C 16.359 0.05 1 1074 115 114 ALA HB H 1.400 0.02 1 1075 116 115 GLN N N 119.188 0.05 1 1076 116 115 GLN H H 8.199 0.02 1 1077 116 115 GLN CA C 53.793 0.05 1 1078 116 115 GLN HA H 4.254 0.02 1 1079 116 115 GLN CB C 26.508 0.05 1 1080 116 115 GLN HB2 H 2.093 0.02 2 1081 116 115 GLN CG C 31.235 0.05 1 1082 116 115 GLN HG2 H 2.412 0.02 2 1083 117 116 GLN N N 121.062 0.05 1 1084 117 116 GLN H H 8.243 0.02 1 1085 117 116 GLN CA C 53.677 0.05 1 1086 117 116 GLN HA H 4.259 0.02 1 1087 117 116 GLN CB C 26.905 0.05 1 1088 117 116 GLN HB2 H 2.003 0.02 2 1089 117 116 GLN CG C 31.309 0.05 1 1090 117 116 GLN HG2 H 2.346 0.02 2 1091 118 117 ALA N N 124.812 0.05 1 1092 118 117 ALA H H 8.243 0.02 1 1093 118 117 ALA CA C 50.114 0.05 1 1094 118 117 ALA HA H 4.256 0.02 1 1095 118 117 ALA CB C 16.343 0.05 1 1096 118 117 ALA HB H 1.389 0.02 1 1097 119 118 ALA N N 122.938 0.05 1 1098 119 118 ALA H H 8.155 0.02 1 1099 119 118 ALA CA C 50.047 0.05 1 1100 119 118 ALA HA H 4.250 0.02 1 1101 119 118 ALA CB C 16.377 0.05 1 1102 119 118 ALA HB H 1.395 0.02 1 1103 120 119 ALA N N 122.625 0.05 1 1104 120 119 ALA H H 8.140 0.02 1 1105 120 119 ALA CA C 50.062 0.05 1 1106 120 119 ALA HA H 4.286 0.02 1 1107 120 119 ALA CB C 16.437 0.05 1 1108 120 119 ALA HB H 1.375 0.02 1 1109 121 120 ASP N N 118.875 0.05 1 1110 121 120 ASP H H 8.229 0.02 1 1111 121 120 ASP CA C 51.735 0.05 1 1112 121 120 ASP HA H 4.650 0.02 1 1113 121 120 ASP CB C 38.458 0.05 1 1114 121 120 ASP HB3 H 2.651 0.02 2 1115 121 120 ASP HB2 H 2.698 0.02 2 1116 122 121 THR N N 113.250 0.05 1 1117 122 121 THR H H 8.067 0.02 1 1118 122 121 THR CA C 59.492 0.05 1 1119 122 121 THR HA H 4.314 0.02 1 1120 122 121 THR CB C 67.111 0.05 1 1121 122 121 THR HB H 4.336 0.02 1 1122 122 121 THR CG2 C 18.827 0.05 1 1123 122 121 THR HG2 H 1.226 0.02 1 1124 123 122 GLY N N 110.438 0.05 1 1125 123 122 GLY H H 8.406 0.02 1 1126 123 122 GLY CA C 42.972 0.05 1 1127 123 122 GLY HA2 H 3.962 0.02 2 1128 123 122 GLY HA3 H 3.969 0.02 2 1129 124 123 ASN N N 118.875 0.05 1 1130 124 123 ASN H H 8.258 0.02 1 1131 124 123 ASN CA C 51.759 0.05 1 1132 124 123 ASN HA H 4.591 0.02 1 1133 124 123 ASN CB C 35.831 0.05 1 1134 124 123 ASN HB2 H 2.821 0.02 2 1135 125 124 ASN N N 119.188 0.05 1 1136 125 124 ASN H H 8.435 0.02 1 1137 125 124 ASN CA C 50.718 0.05 1 1138 125 124 ASN HA H 4.685 0.02 1 1139 125 124 ASN CB C 36.127 0.05 1 1140 125 124 ASN HB2 H 2.821 0.02 2 1141 126 125 SER N N 115.438 0.05 1 1142 126 125 SER H H 8.273 0.02 1 1143 126 125 SER CA C 55.770 0.05 1 1144 126 125 SER HA H 4.400 0.02 1 1145 126 125 SER CB C 61.604 0.05 1 1146 126 125 SER HB2 H 3.891 0.02 2 1147 127 126 GLN N N 121.688 0.05 1 1148 127 126 GLN H H 8.332 0.02 1 1149 127 126 GLN CA C 53.379 0.05 1 1150 127 126 GLN HA H 4.338 0.02 1 1151 127 126 GLN CB C 26.644 0.05 1 1152 127 126 GLN HB2 H 1.993 0.02 2 1153 127 126 GLN CG C 31.139 0.05 1 1154 127 126 GLN HG2 H 2.322 0.02 2 1155 128 127 VAL N N 119.812 0.05 1 1156 128 127 VAL H H 7.978 0.02 1 1157 128 127 VAL CA C 59.984 0.05 1 1158 128 127 VAL HA H 4.118 0.02 1 1159 128 127 VAL CB C 30.082 0.05 1 1160 128 127 VAL HB H 2.011 0.02 1 1161 128 127 VAL CG2 C 18.104 0.05 1 1162 128 127 VAL HG2 H 0.936 0.02 1 1163 128 127 VAL CG1 C 17.904 0.05 1 1164 128 127 VAL HG1 H 0.827 0.02 1 1165 129 128 SER N N 117.938 0.05 1 1166 129 128 SER H H 8.243 0.02 1 1167 129 128 SER CA C 55.872 0.05 1 1168 129 128 SER HA H 4.238 0.02 1 1169 129 128 SER CB C 61.126 0.05 1 1170 129 128 SER HB2 H 3.872 0.02 2 1171 130 129 GLN N N 121.375 0.05 1 1172 130 129 GLN H H 8.347 0.02 1 1173 130 129 GLN CA C 53.288 0.05 1 1174 130 129 GLN HA H 4.316 0.02 1 1175 130 129 GLN CB C 26.957 0.05 1 1176 130 129 GLN HB2 H 1.973 0.02 2 1177 130 129 GLN CG C 30.976 0.05 1 1178 130 129 GLN HG2 H 2.312 0.02 2 1179 131 130 ASN N N 118.250 0.05 1 1180 131 130 ASN H H 8.243 0.02 1 1181 131 130 ASN CA C 51.093 0.05 1 1182 131 130 ASN HA H 4.603 0.02 1 1183 132 131 TYR N N 120.125 0.05 1 1184 132 131 TYR H H 7.949 0.02 1 1185 132 131 TYR CA C 55.573 0.05 1 1186 132 131 TYR HA H 4.336 0.02 1 1187 132 131 TYR CB C 35.748 0.05 1 1188 132 131 TYR HB2 H 2.876 0.02 2 1189 132 131 TYR HE2 H 6.968 0.02 1 stop_ save_