data_7309 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N Chemical Shift Assignments for HIV-1 myristoylated matrix protein ; _BMRB_accession_number 7309 _BMRB_flat_file_name bmr7309.str _Entry_type original _Submission_date 2006-09-28 _Accession_date 2006-09-29 _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 Jamil S. . 2 Miller Jaime . . 3 Tai Janet . . 4 Kim Andrew . . 5 Ghanam Ruba H. . 6 Summers Michael F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 627 "13C chemical shifts" 432 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-20 original author . stop_ _Original_release_date 2006-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for targeting HIV-1 Gag proteins to the plasma membrane for virus assembly' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16840558 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saad Jamil S. . 2 Miller Jaime . . 3 Tai Janet . . 4 Kim Andrew . . 5 Ghanam Ruba H. . 6 Summers Michael F. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 103 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11364 _Page_last 11369 _Year 2006 _Details . loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-1 myristoylated Matrix protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 myristoylated Matrix protein' $HIV-1_myrMA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_myrMA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'myristyl matrix protein' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; XGARASVLSGGELDKWEKIR LRPGGKKQYKLKHIVWASRE LERFAVNPGLLETSEGCRQI LGQLQPSLQTGSEELRSLYN TIAVLYCVHQRIDVKDTKEA LDKIEEEQNKSKKKAQQAAA DTGNNSQVSQNY ; loop_ _Residue_seq_code _Residue_label 1 MYR 2 GLY 3 ALA 4 ARG 5 ALA 6 SER 7 VAL 8 LEU 9 SER 10 GLY 11 GLY 12 GLU 13 LEU 14 ASP 15 LYS 16 TRP 17 GLU 18 LYS 19 ILE 20 ARG 21 LEU 22 ARG 23 PRO 24 GLY 25 GLY 26 LYS 27 LYS 28 GLN 29 TYR 30 LYS 31 LEU 32 LYS 33 HIS 34 ILE 35 VAL 36 TRP 37 ALA 38 SER 39 ARG 40 GLU 41 LEU 42 GLU 43 ARG 44 PHE 45 ALA 46 VAL 47 ASN 48 PRO 49 GLY 50 LEU 51 LEU 52 GLU 53 THR 54 SER 55 GLU 56 GLY 57 CYS 58 ARG 59 GLN 60 ILE 61 LEU 62 GLY 63 GLN 64 LEU 65 GLN 66 PRO 67 SER 68 LEU 69 GLN 70 THR 71 GLY 72 SER 73 GLU 74 GLU 75 LEU 76 ARG 77 SER 78 LEU 79 TYR 80 ASN 81 THR 82 ILE 83 ALA 84 VAL 85 LEU 86 TYR 87 CYS 88 VAL 89 HIS 90 GLN 91 ARG 92 ILE 93 ASP 94 VAL 95 LYS 96 ASP 97 THR 98 LYS 99 GLU 100 ALA 101 LEU 102 ASP 103 LYS 104 ILE 105 GLU 106 GLU 107 GLU 108 GLN 109 ASN 110 LYS 111 SER 112 LYS 113 LYS 114 LYS 115 ALA 116 GLN 117 GLN 118 ALA 119 ALA 120 ALA 121 ASP 122 THR 123 GLY 124 ASN 125 ASN 126 SER 127 GLN 128 VAL 129 SER 130 GLN 131 ASN 132 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 99.24 131 99.24 99.24 1.30e-88 BMRB 15116 Gag_polyprotein 99.24 131 99.24 99.24 2.13e-88 BMRB 18715 MA 99.24 131 100.00 100.00 1.74e-89 BMRB 18716 MA 99.24 131 100.00 100.00 1.74e-89 BMRB 5316 Gag283 99.24 288 100.00 100.00 6.35e-88 BMRB 5960 MA 99.24 132 100.00 100.00 1.80e-89 BMRB 7250 HIV-1_MA 99.24 131 100.00 100.00 1.74e-89 BMRB 7267 HIV-1_MA 99.24 131 100.00 100.00 1.74e-89 BMRB 7275 HIV-1_MA 99.24 131 100.00 100.00 1.74e-89 PDB 1HIW "Trimeric Hiv-1 Matrix Protein" 99.24 133 100.00 100.00 1.40e-89 PDB 1L6N "Structure Of The N-Terminal 283-Residue Fragment Of The Hiv- 1 Gag Polyprotein" 99.24 289 100.00 100.00 6.14e-88 PDB 1UPH "Hiv-1 Myristoylated Matrix" 98.48 132 100.00 100.00 2.13e-88 PDB 2GOL "Xray Structure Of Gag278" 99.24 133 100.00 100.00 1.40e-89 PDB 2H3F "Solution Structure Of The Hiv-1 Ma Protein" 98.48 131 100.00 100.00 2.06e-88 PDB 2H3I "Solution Structure Of The Hiv-1 Myristoylated Matrix Protein" 97.73 131 100.00 100.00 1.45e-87 PDB 2H3Q "Solution Structure Of Hiv-1 Myrma Bound To Di-c4-phosphatidylinositol- (4,5)-bisphosphate" 97.73 131 100.00 100.00 1.45e-87 PDB 2H3V "Structure Of The Hiv-1 Matrix Protein Bound To Di-C8- Phosphatidylinositol-(4,5)-Bisphosphate" 98.48 131 100.00 100.00 2.06e-88 PDB 2H3Z "Structure Of The Hiv-1 Matrix Protein Bound To Di-c4- Phosphatidylinositol-(4,5)-bisphosphate" 98.48 131 100.00 100.00 2.06e-88 PDB 2HMX "Human Immunodeficiency Virus Type 1 Matrix Protein" 98.48 133 100.00 100.00 1.62e-88 PDB 2JMG "Solution Structure Of V7r Mutant Of Hiv-1 Myristoylated Matrix Protein" 97.73 131 99.22 99.22 1.83e-86 PDB 2LYA "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidylcholine" 99.24 137 100.00 100.00 1.62e-89 PDB 2LYB "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidyl-l-serine" 99.24 137 100.00 100.00 1.62e-89 PDB 2NV3 "Solution Structure Of L8a Mutant Of Hiv-1 Myristoylated Matrix Protein" 97.73 131 99.22 99.22 1.04e-86 PDB 4JMU "Crystal Structure Of Hiv Matrix Residues 1-111 In Complex With Inhibitor" 83.33 112 100.00 100.00 2.18e-73 DBJ BAF34641 "gag polyprotein [HIV-1 vector pNL-DT5R]" 99.24 498 100.00 100.00 7.35e-85 DBJ BAG48474 "gag protein [Human immunodeficiency virus 1]" 99.24 147 100.00 100.00 1.23e-89 EMBL CBI61180 "gag polyprotein [HIV-1 M:B 2003_KC005]" 99.24 497 99.24 99.24 1.50e-83 EMBL CBI61181 "gag polyprotein [HIV-1 M:B 2003_KC005]" 99.24 497 99.24 99.24 2.99e-84 EMBL CBI61182 "gag polyprotein [HIV-1 M:B 2003_KC005]" 99.24 497 99.24 100.00 2.10e-84 EMBL CBI61183 "gag polyprotein [HIV-1 M:B 2003_KC005]" 99.24 497 99.24 99.24 3.83e-84 EMBL CBI61184 "gag polyprotein [HIV-1 M:B 2003_KC005]" 99.24 497 100.00 100.00 5.54e-85 GB AAA44987 "gag polyprotein [Human immunodeficiency virus 1]" 99.24 500 100.00 100.00 7.49e-85 GB AAB00898 "p17 protein, partial [Human immunodeficiency virus 1]" 78.03 117 97.09 99.03 6.95e-64 GB AAB60571 "Gag polyprotein precursor [Human immunodeficiency virus 1]" 99.24 500 100.00 100.00 7.49e-85 GB AAC28445 "gag protein [Human immunodeficiency virus 1]" 99.24 500 97.71 98.47 7.73e-83 GB AAC29216 "Gag [Human immunodeficiency virus 1]" 62.88 83 98.80 100.00 2.07e-52 SP P12493 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 99.24 500 100.00 100.00 7.49e-85 SP P12497 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 99.24 1435 100.00 100.00 7.29e-80 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_MYR _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'MYRISTIC ACID' _BMRB_code MYR _PDB_code MYR _Standard_residue_derivative . _Molecular_mass 228.371 _Mol_paramagnetic . _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_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_myrMA HIV-1 11676 Viruses . Lentivirus HIV-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HIV-1_myrMA 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N and 15N,13C-labeled proteins were used' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_myrMA 0.3 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM . DTT 5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H,1H-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,1H-NOESY _Sample_label $sample_1 save_ save_3D_13C-edited_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label $sample_1 save_ save_4D_13C-,15N-edited_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-,15N-edited NOESY' _Sample_label $sample_1 save_ save_3D_double-half-filtered_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D double-half-filtered NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH temperature 308 0.05 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H2O H 1 protons ppm 4.706 internal direct spherical . parallel 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'HIV-1 myristoylated 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 1 1 MYR C14 C 15.978 0.05 1 2 1 1 MYR H141 H 0.552 0.02 1 3 1 1 MYR H142 H 0.552 0.02 1 4 1 1 MYR H143 H 0.552 0.02 1 5 1 1 MYR C13 C 24.302 0.05 1 6 1 1 MYR H131 H 0.941 0.02 1 7 1 1 MYR H132 H 0.941 0.02 1 8 1 1 MYR C12 C 33.665 0.05 1 9 1 1 MYR H121 H 0.980 0.02 2 10 1 1 MYR H122 H 0.944 0.02 2 11 1 1 MYR C11 C 31.432 0.05 1 12 1 1 MYR H111 H 1.019 0.02 1 13 1 1 MYR H112 H 1.019 0.02 1 14 1 1 MYR C10 C 31.432 0.05 1 15 1 1 MYR H101 H 1.019 0.02 1 16 1 1 MYR H102 H 1.019 0.02 1 17 1 1 MYR C9 C 31.432 0.05 1 18 1 1 MYR H91 H 1.019 0.02 1 19 1 1 MYR H92 H 1.019 0.02 1 20 1 1 MYR C8 C 31.432 0.05 1 21 1 1 MYR H81 H 1.019 0.02 1 22 1 1 MYR H82 H 1.019 0.02 1 23 1 1 MYR C7 C 31.432 0.05 1 24 1 1 MYR H71 H 1.019 0.02 1 25 1 1 MYR H72 H 1.019 0.02 1 26 1 1 MYR C6 C 31.432 0.05 1 27 1 1 MYR H61 H 1.019 0.02 1 28 1 1 MYR H62 H 1.019 0.02 1 29 1 1 MYR C5 C 31.432 0.05 1 30 1 1 MYR H51 H 1.019 0.02 1 31 1 1 MYR H52 H 1.019 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 41 2 2 GLY H H 8.295 0.02 1 42 2 2 GLY HA2 H 3.788 0.02 2 43 2 2 GLY CA C 43.251 0.05 1 44 2 2 GLY N N 113.250 0.05 1 45 3 3 ALA H H 8.450 0.02 1 46 3 3 ALA HA H 4.227 0.02 1 47 3 3 ALA HB H 1.356 0.02 1 48 3 3 ALA CA C 50.756 0.05 1 49 3 3 ALA CB C 16.225 0.05 1 50 3 3 ALA N N 124.812 0.05 1 51 4 4 ARG H H 8.081 0.02 1 52 4 4 ARG HA H 4.059 0.02 1 53 4 4 ARG HB2 H 1.802 0.02 2 54 4 4 ARG HG2 H 1.641 0.02 2 55 4 4 ARG CA C 54.545 0.05 1 56 4 4 ARG CB C 27.679 0.05 1 57 4 4 ARG CG C 24.453 0.05 1 58 4 4 ARG N N 117.625 0.05 1 59 5 5 ALA H H 7.934 0.02 1 60 5 5 ALA HA H 4.142 0.02 1 61 5 5 ALA HB H 1.323 0.02 1 62 5 5 ALA CA C 50.778 0.05 1 63 5 5 ALA CB C 16.299 0.05 1 64 5 5 ALA N N 121.375 0.05 1 65 6 6 SER H H 7.905 0.02 1 66 6 6 SER HA H 4.327 0.02 1 67 6 6 SER HB2 H 3.843 0.02 2 68 6 6 SER CA C 56.292 0.05 1 69 6 6 SER CB C 60.897 0.05 1 70 6 6 SER N N 111.688 0.05 1 71 7 7 VAL H H 7.624 0.02 1 72 7 7 VAL HA H 3.864 0.02 1 73 7 7 VAL HB H 2.083 0.02 1 74 7 7 VAL HG1 H 0.830 0.02 1 75 7 7 VAL HG2 H 0.816 0.02 1 76 7 7 VAL CA C 61.312 0.05 1 77 7 7 VAL CB C 29.260 0.05 1 78 7 7 VAL CG1 C 18.765 0.05 1 79 7 7 VAL CG2 C 18.878 0.05 1 80 7 7 VAL N N 118.250 0.05 1 81 8 8 LEU H H 7.330 0.02 1 82 8 8 LEU HA H 4.330 0.02 1 83 8 8 LEU HB2 H 1.495 0.02 2 84 8 8 LEU HG H 1.462 0.02 1 85 8 8 LEU HD1 H 0.886 0.02 1 86 8 8 LEU HD2 H 0.858 0.02 1 87 8 8 LEU CA C 52.233 0.05 1 88 8 8 LEU CB C 40.677 0.05 1 89 8 8 LEU CG C 23.676 0.05 1 90 8 8 LEU CD1 C 20.747 0.05 1 91 8 8 LEU CD2 C 20.701 0.05 1 92 8 8 LEU N N 118.875 0.05 1 93 9 9 SER H H 8.553 0.02 1 94 9 9 SER HA H 4.448 0.02 1 95 9 9 SER HB2 H 3.846 0.02 2 96 9 9 SER CA C 55.138 0.05 1 97 9 9 SER CB C 61.877 0.05 1 98 9 9 SER N N 115.750 0.05 1 99 10 10 GLY H H 8.759 0.02 1 100 10 10 GLY HA2 H 4.014 0.02 2 101 10 10 GLY HA3 H 3.802 0.02 2 102 10 10 GLY CA C 44.149 0.05 1 103 10 10 GLY N N 109.812 0.05 1 104 11 11 GLY H H 8.568 0.02 1 105 11 11 GLY HA2 H 3.880 0.02 2 106 11 11 GLY HA3 H 3.996 0.02 2 107 11 11 GLY CA C 43.948 0.05 1 108 11 11 GLY N N 109.188 0.05 1 109 12 12 GLU H H 8.126 0.02 1 110 12 12 GLU HA H 3.992 0.02 1 111 12 12 GLU HB2 H 1.878 0.02 2 112 12 12 GLU HG2 H 1.977 0.02 2 113 12 12 GLU CA C 56.409 0.05 1 114 12 12 GLU CB C 26.273 0.05 1 115 12 12 GLU CG C 34.745 0.05 1 116 12 12 GLU N N 120.438 0.05 1 117 13 13 LEU H H 8.140 0.02 1 118 13 13 LEU HA H 4.012 0.02 1 119 13 13 LEU HB2 H 1.565 0.02 2 120 13 13 LEU HB3 H 1.867 0.02 2 121 13 13 LEU HG H 1.707 0.02 1 122 13 13 LEU HD1 H 0.954 0.02 1 123 13 13 LEU HD2 H 0.865 0.02 1 124 13 13 LEU CA C 55.178 0.05 1 125 13 13 LEU CB C 38.463 0.05 1 126 13 13 LEU CG C 24.873 0.05 1 127 13 13 LEU CD1 C 21.889 0.05 1 128 13 13 LEU CD2 C 23.132 0.05 1 129 13 13 LEU N N 120.438 0.05 1 130 14 14 ASP H H 7.683 0.02 1 131 14 14 ASP HA H 4.269 0.02 1 132 14 14 ASP HB2 H 2.681 0.02 2 133 14 14 ASP CA C 54.283 0.05 1 134 14 14 ASP CB C 38.264 0.05 1 135 14 14 ASP N N 116.688 0.05 1 136 15 15 LYS H H 7.212 0.02 1 137 15 15 LYS HA H 4.037 0.02 1 138 15 15 LYS HB2 H 2.119 0.02 2 139 15 15 LYS HB3 H 1.973 0.02 2 140 15 15 LYS HG2 H 1.542 0.02 2 141 15 15 LYS HD2 H 1.635 0.02 2 142 15 15 LYS CA C 56.334 0.05 1 143 15 15 LYS CB C 30.085 0.05 1 144 15 15 LYS CG C 21.905 0.05 1 145 15 15 LYS CD C 26.332 0.05 1 146 15 15 LYS N N 116.062 0.05 1 147 16 16 TRP H H 8.391 0.02 1 148 16 16 TRP HA H 4.040 0.02 1 149 16 16 TRP HB2 H 3.145 0.02 2 150 16 16 TRP HB3 H 3.538 0.02 2 151 16 16 TRP HD1 H 6.488 0.02 1 152 16 16 TRP HE1 H 9.309 0.02 1 153 16 16 TRP HE3 H 7.124 0.02 1 154 16 16 TRP HZ2 H 7.079 0.02 1 155 16 16 TRP HZ3 H 6.411 0.02 1 156 16 16 TRP CA C 57.013 0.05 1 157 16 16 TRP CB C 28.506 0.05 1 158 16 16 TRP CD1 C 121.169 0.05 1 159 16 16 TRP CE3 C 116.513 0.05 1 160 16 16 TRP CZ2 C 111.375 0.05 1 161 16 16 TRP CZ3 C 119.509 0.05 1 162 16 16 TRP N N 121.688 0.05 1 163 16 16 TRP NE1 N 126.534 0.05 1 164 17 17 GLU H H 7.536 0.02 1 165 17 17 GLU HA H 4.514 0.02 1 166 17 17 GLU HB2 H 2.123 0.02 2 167 17 17 GLU HG2 H 2.952 0.02 2 168 17 17 GLU CA C 53.997 0.05 1 169 17 17 GLU CB C 26.970 0.05 1 170 17 17 GLU CG C 35.730 0.05 1 171 17 17 GLU N N 127.625 0.05 1 172 18 18 LYS H H 7.344 0.02 1 173 18 18 LYS HA H 4.457 0.02 1 174 18 18 LYS HB2 H 1.814 0.02 2 175 18 18 LYS HG2 H 1.581 0.02 2 176 18 18 LYS HD2 H 1.635 0.02 2 177 18 18 LYS CA C 52.973 0.05 1 178 18 18 LYS CB C 30.945 0.05 1 179 18 18 LYS CG C 22.718 0.05 1 180 18 18 LYS CD C 26.492 0.05 1 181 18 18 LYS N N 115.438 0.05 1 182 19 19 ILE H H 7.595 0.02 1 183 19 19 ILE HA H 3.630 0.02 1 184 19 19 ILE HB H 1.545 0.02 1 185 19 19 ILE HG12 H 1.707 0.02 9 186 19 19 ILE HG13 H 0.807 0.02 9 187 19 19 ILE HG2 H 0.595 0.02 1 188 19 19 ILE HD1 H 0.422 0.02 1 189 19 19 ILE CA C 60.404 0.05 1 190 19 19 ILE CB C 35.080 0.05 1 191 19 19 ILE CG1 C 24.892 0.05 1 192 19 19 ILE CG2 C 13.739 0.05 1 193 19 19 ILE CD1 C 11.838 0.05 1 194 19 19 ILE N N 123.875 0.05 1 195 20 20 ARG H H 8.008 0.02 1 196 20 20 ARG HA H 4.529 0.02 1 197 20 20 ARG HB2 H 1.979 0.02 2 198 20 20 ARG HG2 H 1.782 0.02 2 199 20 20 ARG CA C 53.532 0.05 1 200 20 20 ARG CB C 28.367 0.05 1 201 20 20 ARG CG C 25.844 0.05 1 202 20 20 ARG N N 125.750 0.05 1 203 21 21 LEU H H 7.860 0.02 1 204 21 21 LEU HA H 3.521 0.02 1 205 21 21 LEU HB2 H 1.327 0.02 2 206 21 21 LEU HB3 H 1.182 0.02 2 207 21 21 LEU HG H 0.612 0.02 1 208 21 21 LEU HD1 H 0.212 0.02 1 209 21 21 LEU HD2 H -0.412 0.02 1 210 21 21 LEU CA C 55.751 0.05 1 211 21 21 LEU CB C 38.855 0.05 1 212 21 21 LEU CG C 25.876 0.05 1 213 21 21 LEU CD1 C 21.937 0.05 1 214 21 21 LEU CD2 C 19.230 0.05 1 215 21 21 LEU N N 120.438 0.05 1 216 22 22 ARG H H 9.054 0.02 1 217 22 22 ARG HA H 4.847 0.02 1 218 22 22 ARG HB2 H 1.608 0.02 2 219 22 22 ARG HG2 H 1.481 0.02 2 220 22 22 ARG HD2 H 3.269 0.02 2 221 22 22 ARG CA C 50.844 0.05 1 222 22 22 ARG CB C 28.638 0.05 1 223 22 22 ARG CG C 23.778 0.05 1 224 22 22 ARG CD C 40.748 0.05 1 225 22 22 ARG N N 119.812 0.05 1 226 23 23 PRO HA H 4.362 0.02 1 227 23 23 PRO HB2 H 1.881 0.02 2 228 23 23 PRO HG2 H 2.075 0.02 2 229 23 23 PRO HD2 H 3.625 0.02 2 230 23 23 PRO CA C 60.786 0.05 1 231 23 23 PRO CB C 28.538 0.05 1 232 23 23 PRO CG C 25.218 0.05 1 233 23 23 PRO CD C 47.882 0.05 1 234 24 24 GLY H H 9.113 0.02 1 235 24 24 GLY HA2 H 3.885 0.02 2 236 24 24 GLY HA3 H 3.667 0.02 2 237 24 24 GLY CA C 43.174 0.05 1 238 24 24 GLY N N 112.625 0.05 1 239 25 25 GLY H H 8.081 0.02 1 240 25 25 GLY HA2 H 4.478 0.02 2 241 25 25 GLY CA C 43.070 0.05 1 242 25 25 GLY N N 107.938 0.05 1 243 26 26 LYS H H 8.759 0.02 1 244 26 26 LYS HA H 4.323 0.02 1 245 26 26 LYS HG2 H 1.350 0.02 2 246 26 26 LYS HD2 H 1.683 0.02 2 247 26 26 LYS CA C 54.306 0.05 1 248 26 26 LYS CG C 21.843 0.05 1 249 26 26 LYS CD C 26.380 0.05 1 250 26 26 LYS N N 117.312 0.05 1 251 27 27 LYS H H 7.683 0.02 1 252 27 27 LYS HA H 4.357 0.02 1 253 27 27 LYS HB2 H 1.839 0.02 2 254 27 27 LYS HG2 H 1.528 0.02 2 255 27 27 LYS HD2 H 1.638 0.02 2 256 27 27 LYS HE2 H 3.016 0.02 2 257 27 27 LYS CA C 54.505 0.05 1 258 27 27 LYS CB C 31.077 0.05 1 259 27 27 LYS CG C 23.107 0.05 1 260 27 27 LYS CD C 26.411 0.05 1 261 27 27 LYS CE C 39.552 0.05 1 262 27 27 LYS N N 117.625 0.05 1 263 28 28 GLN H H 8.435 0.02 1 264 28 28 GLN HA H 4.801 0.02 1 265 28 28 GLN HB2 H 1.911 0.02 2 266 28 28 GLN HG2 H 1.996 0.02 2 267 28 28 GLN CA C 51.890 0.05 1 268 28 28 GLN CB C 30.896 0.05 1 269 28 28 GLN CG C 31.976 0.05 1 270 28 28 GLN N N 122.938 0.05 1 271 29 29 TYR H H 7.860 0.02 1 272 29 29 TYR HA H 3.709 0.02 1 273 29 29 TYR HB2 H 1.979 0.02 2 274 29 29 TYR HB3 H 1.869 0.02 2 275 29 29 TYR HD2 H 6.356 0.02 1 276 29 29 TYR HE2 H 6.461 0.02 1 277 29 29 TYR CA C 58.334 0.05 1 278 29 29 TYR CB C 34.838 0.05 1 279 29 29 TYR CD2 C 130.140 0.05 1 280 29 29 TYR CE2 C 113.851 0.05 1 281 29 29 TYR N N 119.812 0.05 1 282 30 30 LYS H H 10.587 0.02 1 283 30 30 LYS HA H 5.262 0.02 1 284 30 30 LYS HB2 H 2.172 0.02 2 285 30 30 LYS HG2 H 1.643 0.02 2 286 30 30 LYS HD2 H 1.819 0.02 2 287 30 30 LYS CA C 51.323 0.05 1 288 30 30 LYS CB C 34.529 0.05 1 289 30 30 LYS CG C 21.941 0.05 1 290 30 30 LYS CD C 26.430 0.05 1 291 30 30 LYS N N 117.938 0.05 1 292 31 31 LEU H H 10.012 0.02 1 293 31 31 LEU HA H 4.135 0.02 1 294 31 31 LEU HB2 H 1.921 0.02 2 295 31 31 LEU HB3 H 1.894 0.02 2 296 31 31 LEU HG H 1.699 0.02 1 297 31 31 LEU HD1 H 0.910 0.02 1 298 31 31 LEU HD2 H 0.932 0.02 1 299 31 31 LEU CA C 56.711 0.05 1 300 31 31 LEU CB C 38.453 0.05 1 301 31 31 LEU CG C 24.571 0.05 1 302 31 31 LEU CD1 C 21.382 0.05 1 303 31 31 LEU CD2 C 22.797 0.05 1 304 31 31 LEU N N 128.562 0.05 1 305 32 32 LYS H H 8.479 0.02 1 306 32 32 LYS HA H 4.183 0.02 1 307 32 32 LYS HB2 H 1.785 0.02 2 308 32 32 LYS HG2 H 1.660 0.02 2 309 32 32 LYS HD2 H 1.532 0.02 2 310 32 32 LYS CA C 56.496 0.05 1 311 32 32 LYS CB C 28.876 0.05 1 312 32 32 LYS CG C 21.912 0.05 1 313 32 32 LYS CD C 26.638 0.05 1 314 32 32 LYS N N 115.125 0.05 1 315 33 33 HIS H H 8.199 0.02 1 316 33 33 HIS HA H 4.567 0.02 1 317 33 33 HIS HB2 H 3.872 0.02 2 318 33 33 HIS HB3 H 3.951 0.02 2 319 33 33 HIS HD2 H 7.169 0.02 1 320 33 33 HIS HE1 H 7.647 0.02 1 321 33 33 HIS CA C 60.280 0.05 1 322 33 33 HIS CB C 30.054 0.05 1 323 33 33 HIS CD2 C 114.394 0.05 1 324 33 33 HIS CE1 C 134.949 0.05 1 325 33 33 HIS N N 118.875 0.05 1 326 34 34 ILE H H 7.875 0.02 1 327 34 34 ILE HA H 3.719 0.02 1 328 34 34 ILE HB H 1.982 0.02 1 329 34 34 ILE HG12 H 1.404 0.02 9 330 34 34 ILE HG13 H 0.487 0.02 9 331 34 34 ILE HG2 H 0.690 0.02 1 332 34 34 ILE HD1 H -0.255 0.02 1 333 34 34 ILE CA C 61.775 0.05 1 334 34 34 ILE CB C 35.099 0.05 1 335 34 34 ILE CG1 C 26.543 0.05 1 336 34 34 ILE CG2 C 15.083 0.05 1 337 34 34 ILE CD1 C 9.443 0.05 1 338 34 34 ILE N N 119.500 0.05 1 339 35 35 VAL H H 7.728 0.02 1 340 35 35 VAL HA H 3.405 0.02 1 341 35 35 VAL HB H 1.920 0.02 1 342 35 35 VAL HG1 H 0.922 0.02 1 343 35 35 VAL HG2 H 0.882 0.02 1 344 35 35 VAL CA C 64.710 0.05 1 345 35 35 VAL CB C 29.480 0.05 1 346 35 35 VAL CG1 C 19.251 0.05 1 347 35 35 VAL CG2 C 19.672 0.05 1 348 35 35 VAL N N 121.375 0.05 1 349 36 36 TRP H H 8.656 0.02 1 350 36 36 TRP HA H 4.217 0.02 1 351 36 36 TRP HB2 H 3.543 0.02 2 352 36 36 TRP HD1 H 7.404 0.02 1 353 36 36 TRP HE1 H 10.248 0.02 1 354 36 36 TRP HZ2 H 7.416 0.02 1 355 36 36 TRP HZ3 H 7.395 0.02 1 356 36 36 TRP HH2 H 7.359 0.02 1 357 36 36 TRP CA C 59.361 0.05 1 358 36 36 TRP CB C 25.646 0.05 1 359 36 36 TRP CD1 C 125.117 0.05 1 360 36 36 TRP CZ2 C 111.994 0.05 1 361 36 36 TRP CZ3 C 124.232 0.05 1 362 36 36 TRP CH2 C 121.363 0.05 1 363 36 36 TRP N N 120.750 0.05 1 364 36 36 TRP NE1 N 131.062 0.05 1 365 37 37 ALA HA H 3.413 0.02 1 366 37 37 ALA HB H 1.523 0.02 1 367 37 37 ALA CA C 52.358 0.05 1 368 37 37 ALA CB C 14.620 0.05 1 369 38 38 SER H H 8.199 0.02 1 370 38 38 SER HA H 3.903 0.02 1 371 38 38 SER HB2 H 3.844 0.02 1 372 38 38 SER CA C 60.119 0.05 1 373 38 38 SER CB C 60.316 0.05 1 374 38 38 SER N N 111.375 0.05 1 375 39 39 ARG H H 7.551 0.02 1 376 39 39 ARG HA H 4.119 0.02 1 377 39 39 ARG HB2 H 1.929 0.02 2 378 39 39 ARG HG2 H 1.686 0.02 2 379 39 39 ARG HD2 H 3.159 0.02 2 380 39 39 ARG CA C 56.267 0.05 1 381 39 39 ARG CB C 26.998 0.05 1 382 39 39 ARG CG C 24.875 0.05 1 383 39 39 ARG CD C 40.735 0.05 1 384 39 39 ARG N N 120.750 0.05 1 385 40 40 GLU H H 8.199 0.02 1 386 40 40 GLU HA H 3.699 0.02 1 387 40 40 GLU HB2 H 1.482 0.02 2 388 40 40 GLU CA C 55.594 0.05 1 389 40 40 GLU CB C 27.014 0.05 1 390 40 40 GLU N N 120.750 0.05 1 391 41 41 LEU H H 7.890 0.02 1 392 41 41 LEU HA H 3.996 0.02 1 393 41 41 LEU HB2 H 1.865 0.02 2 394 41 41 LEU HG H 1.709 0.02 1 395 41 41 LEU HD1 H 0.798 0.02 1 396 41 41 LEU HD2 H 0.773 0.02 1 397 41 41 LEU CA C 55.711 0.05 1 398 41 41 LEU CB C 37.987 0.05 1 399 41 41 LEU CG C 24.064 0.05 1 400 41 41 LEU CD1 C 21.639 0.05 1 401 41 41 LEU CD2 C 19.921 0.05 1 402 41 41 LEU N N 116.777 0.05 1 403 42 42 GLU H H 7.536 0.02 1 404 42 42 GLU HA H 4.081 0.02 1 405 42 42 GLU HB2 H 2.118 0.02 2 406 42 42 GLU HB3 H 1.646 0.02 2 407 42 42 GLU HG2 H 2.534 0.02 2 408 42 42 GLU HG3 H 2.145 0.02 2 409 42 42 GLU CA C 56.911 0.05 1 410 42 42 GLU CB C 27.010 0.05 1 411 42 42 GLU CG C 33.940 0.05 1 412 42 42 GLU N N 117.312 0.05 1 413 43 43 ARG H H 7.624 0.02 1 414 43 43 ARG HA H 4.011 0.02 1 415 43 43 ARG HB2 H 1.656 0.02 2 416 43 43 ARG HG2 H 1.426 0.02 2 417 43 43 ARG HD2 H 3.056 0.02 2 418 43 43 ARG CA C 55.857 0.05 1 419 43 43 ARG CB C 26.952 0.05 1 420 43 43 ARG CG C 24.536 0.05 1 421 43 43 ARG CD C 40.709 0.05 1 422 43 43 ARG N N 119.812 0.05 1 423 44 44 PHE H H 7.492 0.02 1 424 44 44 PHE HA H 4.610 0.02 1 425 44 44 PHE HB2 H 3.413 0.02 2 426 44 44 PHE HD1 H 7.193 0.02 1 427 44 44 PHE CA C 54.599 0.05 1 428 44 44 PHE CB C 40.031 0.05 1 429 44 44 PHE CD1 C 129.022 0.05 1 430 44 44 PHE N N 117.625 0.05 1 431 45 45 ALA H H 7.919 0.02 1 432 45 45 ALA HA H 3.952 0.02 1 433 45 45 ALA HB H 1.447 0.02 1 434 45 45 ALA CA C 50.476 0.05 1 435 45 45 ALA CB C 13.571 0.05 1 436 45 45 ALA N N 118.875 0.05 1 437 46 46 VAL H H 7.787 0.02 1 438 46 46 VAL HA H 4.054 0.02 1 439 46 46 VAL HB H 1.723 0.02 1 440 46 46 VAL HG1 H 0.834 0.02 1 441 46 46 VAL HG2 H 0.791 0.02 1 442 46 46 VAL CA C 57.928 0.05 1 443 46 46 VAL CB C 30.794 0.05 1 444 46 46 VAL CG1 C 19.228 0.05 1 445 46 46 VAL CG2 C 19.113 0.05 1 446 46 46 VAL N N 119.500 0.05 1 447 47 47 ASN H H 8.376 0.02 1 448 47 47 ASN HA H 4.511 0.02 1 449 47 47 ASN HB2 H 2.836 0.02 2 450 47 47 ASN CA C 48.503 0.05 1 451 47 47 ASN CB C 36.518 0.05 1 452 47 47 ASN N N 125.438 0.05 1 453 48 48 PRO HA H 4.282 0.02 1 454 48 48 PRO HB2 H 2.009 0.02 2 455 48 48 PRO HG2 H 1.891 0.02 2 456 48 48 PRO HD2 H 4.091 0.02 2 457 48 48 PRO CA C 61.702 0.05 1 458 48 48 PRO CB C 29.394 0.05 1 459 48 48 PRO CG C 25.071 0.05 1 460 48 48 PRO CD C 48.204 0.05 1 461 49 49 GLY H H 8.509 0.02 1 462 49 49 GLY HA2 H 3.818 0.02 2 463 49 49 GLY HA3 H 3.687 0.02 2 464 49 49 GLY CA C 43.778 0.05 1 465 49 49 GLY N N 106.688 0.05 1 466 50 50 LEU H H 7.757 0.02 1 467 50 50 LEU HA H 4.153 0.02 1 468 50 50 LEU HB2 H 1.761 0.02 2 469 50 50 LEU HG H 1.641 0.02 1 470 50 50 LEU HD1 H 0.930 0.02 1 471 50 50 LEU HD2 H 0.753 0.02 1 472 50 50 LEU CA C 54.336 0.05 1 473 50 50 LEU CB C 39.865 0.05 1 474 50 50 LEU CG C 25.054 0.05 1 475 50 50 LEU CD1 C 23.031 0.05 1 476 50 50 LEU CD2 C 20.032 0.05 1 477 50 50 LEU N N 122.000 0.05 1 478 51 51 LEU H H 7.448 0.02 1 479 51 51 LEU HA H 3.943 0.02 1 480 51 51 LEU HB2 H 1.259 0.02 2 481 51 51 LEU HG H 1.645 0.02 1 482 51 51 LEU HD1 H 0.737 0.02 1 483 51 51 LEU HD2 H 0.751 0.02 1 484 51 51 LEU CA C 53.418 0.05 1 485 51 51 LEU CB C 39.792 0.05 1 486 51 51 LEU CG C 24.587 0.05 1 487 51 51 LEU CD1 C 21.518 0.05 1 488 51 51 LEU CD2 C 23.110 0.05 1 489 51 51 LEU N N 112.000 0.05 1 490 52 52 GLU H H 7.462 0.02 1 491 52 52 GLU HA H 4.433 0.02 1 492 52 52 GLU HB2 H 2.145 0.02 2 493 52 52 GLU HB3 H 2.079 0.02 2 494 52 52 GLU HG2 H 2.238 0.02 2 495 52 52 GLU HG3 H 2.210 0.02 2 496 52 52 GLU CA C 56.161 0.05 1 497 52 52 GLU CB C 28.656 0.05 1 498 52 52 GLU CG C 34.374 0.05 1 499 52 52 GLU N N 114.500 0.05 1 500 53 53 THR H H 7.182 0.02 1 501 53 53 THR HA H 4.398 0.02 1 502 53 53 THR HB H 4.514 0.02 1 503 53 53 THR HG2 H 1.044 0.02 1 504 53 53 THR CA C 55.600 0.05 1 505 53 53 THR CB C 70.532 0.05 1 506 53 53 THR CG2 C 18.741 0.05 1 507 53 53 THR N N 123.250 0.05 1 508 54 54 SER H H 9.246 0.02 1 509 54 54 SER HA H 3.779 0.02 1 510 54 54 SER HB2 H 3.719 0.02 2 511 54 54 SER CA C 59.672 0.05 1 512 54 54 SER CB C 59.563 0.05 1 513 54 54 SER N N 118.875 0.05 1 514 55 55 GLU H H 8.892 0.02 1 515 55 55 GLU HA H 4.071 0.02 1 516 55 55 GLU HB2 H 1.990 0.02 2 517 55 55 GLU HG2 H 2.359 0.02 2 518 55 55 GLU CA C 57.033 0.05 1 519 55 55 GLU CB C 26.498 0.05 1 520 55 55 GLU CG C 33.367 0.05 1 521 55 55 GLU N N 121.375 0.05 1 522 56 56 GLY H H 8.479 0.02 1 523 56 56 GLY HA2 H 4.573 0.02 2 524 56 56 GLY CA C 45.379 0.05 1 525 56 56 GLY N N 110.750 0.05 1 526 57 57 CYS H H 8.140 0.02 1 527 57 57 CYS HA H 3.987 0.02 1 528 57 57 CYS HB2 H 2.475 0.02 2 529 57 57 CYS HB3 H 3.371 0.02 2 530 57 57 CYS CA C 61.932 0.05 1 531 57 57 CYS CB C 44.946 0.05 1 532 57 57 CYS N N 117.938 0.05 1 533 58 58 ARG H H 8.479 0.02 1 534 58 58 ARG HA H 3.551 0.02 1 535 58 58 ARG HB2 H 1.952 0.02 2 536 58 58 ARG HG2 H 1.419 0.02 2 537 58 58 ARG HD2 H 3.076 0.02 2 538 58 58 ARG CA C 57.294 0.05 1 539 58 58 ARG CB C 27.401 0.05 1 540 58 58 ARG CG C 25.139 0.05 1 541 58 58 ARG CD C 40.858 0.05 1 542 58 58 ARG N N 119.500 0.05 1 543 59 59 GLN H H 8.008 0.02 1 544 59 59 GLN HA H 4.089 0.02 1 545 59 59 GLN HB2 H 2.302 0.02 2 546 59 59 GLN HG2 H 2.466 0.02 2 547 59 59 GLN CA C 56.415 0.05 1 548 59 59 GLN CB C 25.463 0.05 1 549 59 59 GLN CG C 31.220 0.05 1 550 59 59 GLN N N 119.812 0.05 1 551 60 60 ILE H H 8.126 0.02 1 552 60 60 ILE HA H 3.434 0.02 1 553 60 60 ILE HB H 1.867 0.02 1 554 60 60 ILE HG12 H 1.762 0.02 9 555 60 60 ILE HG2 H 0.859 0.02 1 556 60 60 ILE HD1 H 0.713 0.02 1 557 60 60 ILE CA C 63.200 0.05 1 558 60 60 ILE CB C 35.179 0.05 1 559 60 60 ILE CG1 C 26.206 0.05 1 560 60 60 ILE CG2 C 15.726 0.05 1 561 60 60 ILE CD1 C 11.744 0.05 1 562 60 60 ILE N N 120.438 0.05 1 563 61 61 LEU H H 8.347 0.02 1 564 61 61 LEU HA H 3.811 0.02 1 565 61 61 LEU HB2 H 1.761 0.02 2 566 61 61 LEU HB3 H 1.329 0.02 2 567 61 61 LEU HG H 1.646 0.02 1 568 61 61 LEU HD1 H 0.343 0.02 1 569 61 61 LEU HD2 H -0.015 0.02 1 570 61 61 LEU CA C 56.125 0.05 1 571 61 61 LEU CB C 38.272 0.05 1 572 61 61 LEU CG C 23.326 0.05 1 573 61 61 LEU CD1 C 22.836 0.05 1 574 61 61 LEU CD2 C 19.760 0.05 1 575 61 61 LEU N N 118.875 0.05 1 576 62 62 GLY H H 7.875 0.02 1 577 62 62 GLY HA2 H 3.951 0.02 2 578 62 62 GLY HA3 H 3.857 0.02 2 579 62 62 GLY CA C 44.549 0.05 1 580 62 62 GLY N N 103.562 0.05 1 581 63 63 GLN H H 7.772 0.02 1 582 63 63 GLN HA H 4.126 0.02 1 583 63 63 GLN HB2 H 2.122 0.02 2 584 63 63 GLN HG2 H 2.389 0.02 2 585 63 63 GLN CA C 55.730 0.05 1 586 63 63 GLN CB C 26.380 0.05 1 587 63 63 GLN CG C 31.553 0.05 1 588 63 63 GLN N N 119.812 0.05 1 589 64 64 LEU H H 8.214 0.02 1 590 64 64 LEU HA H 4.259 0.02 1 591 64 64 LEU HB2 H 1.994 0.02 2 592 64 64 LEU HB3 H 1.510 0.02 2 593 64 64 LEU HG H 1.916 0.02 1 594 64 64 LEU HD1 H 0.680 0.02 1 595 64 64 LEU HD2 H 0.559 0.02 1 596 64 64 LEU CA C 52.410 0.05 1 597 64 64 LEU CB C 41.317 0.05 1 598 64 64 LEU CG C 23.865 0.05 1 599 64 64 LEU CD1 C 23.224 0.05 1 600 64 64 LEU CD2 C 18.563 0.05 1 601 64 64 LEU N N 117.000 0.05 1 602 65 65 GLN H H 8.096 0.02 1 603 65 65 GLN HA H 3.753 0.02 1 604 65 65 GLN HB2 H 2.568 0.02 2 605 65 65 GLN HB3 H 2.295 0.02 2 606 65 65 GLN HG2 H 2.439 0.02 2 607 65 65 GLN HG3 H 2.327 0.02 2 608 65 65 GLN CA C 58.861 0.05 1 609 65 65 GLN CB C 23.313 0.05 1 610 65 65 GLN CG C 31.185 0.05 1 611 65 65 GLN N N 118.562 0.05 1 612 66 66 PRO HA H 4.353 0.02 1 613 66 66 PRO HB2 H 2.399 0.02 2 614 66 66 PRO HB3 H 1.834 0.02 2 615 66 66 PRO HG2 H 2.088 0.02 2 616 66 66 PRO HG3 H 2.047 0.02 2 617 66 66 PRO HD2 H 3.786 0.02 2 618 66 66 PRO HD3 H 3.503 0.02 2 619 66 66 PRO CA C 62.672 0.05 1 620 66 66 PRO CB C 28.691 0.05 1 621 66 66 PRO CG C 25.529 0.05 1 622 66 66 PRO CD C 48.220 0.05 1 623 67 67 SER H H 7.801 0.02 1 624 67 67 SER HA H 4.458 0.02 1 625 67 67 SER HB2 H 3.943 0.02 2 626 67 67 SER CA C 56.937 0.05 1 627 67 67 SER CB C 61.340 0.05 1 628 67 67 SER N N 111.375 0.05 1 629 68 68 LEU H H 7.624 0.02 1 630 68 68 LEU HA H 3.840 0.02 1 631 68 68 LEU HB2 H 1.536 0.02 2 632 68 68 LEU HB3 H 1.337 0.02 2 633 68 68 LEU HG H 1.437 0.02 1 634 68 68 LEU HD1 H 0.093 0.02 1 635 68 68 LEU HD2 H 0.336 0.02 1 636 68 68 LEU CA C 55.290 0.05 1 637 68 68 LEU CB C 38.925 0.05 1 638 68 68 LEU CG C 23.453 0.05 1 639 68 68 LEU CD1 C 21.603 0.05 1 640 68 68 LEU CD2 C 19.607 0.05 1 641 68 68 LEU N N 121.062 0.05 1 642 69 69 GLN H H 8.037 0.02 1 643 69 69 GLN HA H 4.024 0.02 1 644 69 69 GLN HB2 H 2.116 0.02 2 645 69 69 GLN HG2 H 2.361 0.02 2 646 69 69 GLN CA C 55.729 0.05 1 647 69 69 GLN CB C 25.771 0.05 1 648 69 69 GLN CG C 30.796 0.05 1 649 69 69 GLN N N 116.375 0.05 1 650 70 70 THR H H 7.506 0.02 1 651 70 70 THR HA H 4.455 0.02 1 652 70 70 THR HB H 4.375 0.02 1 653 70 70 THR HG2 H 1.188 0.02 1 654 70 70 THR CA C 58.992 0.05 1 655 70 70 THR CB C 66.608 0.05 1 656 70 70 THR CG2 C 18.827 0.05 1 657 70 70 THR N N 106.688 0.05 1 658 71 71 GLY H H 7.669 0.02 1 659 71 71 GLY HA2 H 4.253 0.02 2 660 71 71 GLY HA3 H 3.963 0.02 1 661 71 71 GLY CA C 42.863 0.05 1 662 71 71 GLY N N 109.812 0.05 1 663 72 72 SER H H 7.993 0.02 1 664 72 72 SER HA H 4.567 0.02 1 665 72 72 SER HB2 H 4.422 0.02 2 666 72 72 SER HB3 H 4.107 0.02 2 667 72 72 SER CA C 54.524 0.05 1 668 72 72 SER CB C 61.931 0.05 1 669 72 72 SER N N 114.500 0.05 1 670 73 73 GLU H H 9.069 0.02 1 671 73 73 GLU HA H 4.121 0.02 1 672 73 73 GLU HB2 H 2.121 0.02 2 673 73 73 GLU HB3 H 1.996 0.02 2 674 73 73 GLU HG2 H 2.343 0.02 2 675 73 73 GLU CA C 56.371 0.05 1 676 73 73 GLU CB C 26.641 0.05 1 677 73 73 GLU CG C 33.354 0.05 1 678 73 73 GLU N N 124.188 0.05 1 679 74 74 GLU H H 8.656 0.02 1 680 74 74 GLU HA H 4.081 0.02 1 681 74 74 GLU HB2 H 2.181 0.02 2 682 74 74 GLU HB3 H 2.059 0.02 2 683 74 74 GLU HG2 H 2.467 0.02 2 684 74 74 GLU CA C 57.206 0.05 1 685 74 74 GLU CB C 26.874 0.05 1 686 74 74 GLU CG C 33.596 0.05 1 687 74 74 GLU N N 120.125 0.05 1 688 75 75 LEU H H 7.698 0.02 1 689 75 75 LEU HA H 4.164 0.02 1 690 75 75 LEU HB2 H 1.808 0.02 2 691 75 75 LEU HB3 H 1.735 0.02 2 692 75 75 LEU HG H 1.629 0.02 1 693 75 75 LEU HD1 H 0.816 0.02 1 694 75 75 LEU HD2 H 0.767 0.02 1 695 75 75 LEU CA C 56.034 0.05 1 696 75 75 LEU CB C 38.573 0.05 1 697 75 75 LEU CG C 25.043 0.05 1 698 75 75 LEU CD1 C 21.897 0.05 1 699 75 75 LEU CD2 C 21.954 0.05 1 700 75 75 LEU N N 121.062 0.05 1 701 76 76 ARG H H 7.845 0.02 1 702 76 76 ARG HA H 3.950 0.02 1 703 76 76 ARG HB2 H 2.067 0.02 2 704 76 76 ARG HG2 H 1.713 0.02 2 705 76 76 ARG HD2 H 3.223 0.02 2 706 76 76 ARG CA C 56.900 0.05 1 707 76 76 ARG CB C 26.795 0.05 1 708 76 76 ARG CG C 24.760 0.05 1 709 76 76 ARG CD C 40.361 0.05 1 710 76 76 ARG N N 119.188 0.05 1 711 77 77 SER H H 8.568 0.02 1 712 77 77 SER HA H 4.219 0.02 1 713 77 77 SER HB2 H 4.217 0.02 2 714 77 77 SER HB3 H 4.005 0.02 2 715 77 77 SER CA C 59.956 0.05 1 716 77 77 SER CB C 60.159 0.05 1 717 77 77 SER N N 114.188 0.05 1 718 78 78 LEU H H 8.465 0.02 1 719 78 78 LEU HA H 4.313 0.02 1 720 78 78 LEU HB2 H 2.415 0.02 2 721 78 78 LEU HD1 H 0.823 0.02 1 722 78 78 LEU HD2 H 0.778 0.02 1 723 78 78 LEU CA C 56.009 0.05 1 724 78 78 LEU CB C 39.565 0.05 1 725 78 78 LEU CD1 C 21.743 0.05 1 726 78 78 LEU CD2 C 23.141 0.05 1 727 78 78 LEU N N 126.062 0.05 1 728 79 79 TYR H H 8.671 0.02 1 729 79 79 TYR HA H 3.645 0.02 1 730 79 79 TYR HB2 H 3.350 0.02 2 731 79 79 TYR HB3 H 2.818 0.02 2 732 79 79 TYR HD1 H 7.065 0.02 1 733 79 79 TYR HE1 H 6.826 0.02 1 734 79 79 TYR CA C 60.101 0.05 1 735 79 79 TYR CB C 36.979 0.05 1 736 79 79 TYR CD1 C 130.789 0.05 1 737 79 79 TYR CE1 C 115.769 0.05 1 738 79 79 TYR N N 120.125 0.05 1 739 80 80 ASN H H 8.818 0.02 1 740 80 80 ASN HA H 4.307 0.02 1 741 80 80 ASN HB2 H 3.119 0.02 2 742 80 80 ASN HB3 H 2.745 0.02 2 743 80 80 ASN CA C 53.033 0.05 1 744 80 80 ASN CB C 34.988 0.05 1 745 80 80 ASN N N 116.688 0.05 1 746 81 81 THR H H 8.096 0.02 1 747 81 81 THR HA H 3.887 0.02 1 748 81 81 THR HB H 4.547 0.02 1 749 81 81 THR HG2 H 1.441 0.02 1 750 81 81 THR CA C 65.441 0.05 1 751 81 81 THR CB C 66.669 0.05 1 752 81 81 THR CG2 C 18.416 0.05 1 753 81 81 THR N N 115.438 0.05 1 754 82 82 ILE H H 8.015 0.02 1 755 82 82 ILE HA H 3.711 0.02 1 756 82 82 ILE HB H 1.866 0.02 1 757 82 82 ILE HG12 H 1.222 0.02 9 758 82 82 ILE HG13 H 1.690 0.02 9 759 82 82 ILE HG2 H 0.809 0.02 1 760 82 82 ILE HD1 H 0.821 0.02 1 761 82 82 ILE CA C 61.604 0.05 1 762 82 82 ILE CB C 33.881 0.05 1 763 82 82 ILE CG1 C 26.198 0.05 1 764 82 82 ILE CG2 C 15.313 0.05 1 765 82 82 ILE CD1 C 11.495 0.05 1 766 82 82 ILE N N 120.802 0.05 1 767 83 83 ALA H H 8.759 0.02 1 768 83 83 ALA HA H 3.805 0.02 1 769 83 83 ALA HB H 1.303 0.02 1 770 83 83 ALA CA C 53.279 0.05 1 771 83 83 ALA CB C 15.152 0.05 1 772 83 83 ALA N N 125.125 0.05 1 773 84 84 VAL H H 7.772 0.02 1 774 84 84 VAL HA H 3.294 0.02 1 775 84 84 VAL HB H 1.912 0.02 1 776 84 84 VAL HG1 H 0.359 0.02 1 777 84 84 VAL HG2 H 0.930 0.02 1 778 84 84 VAL CA C 65.095 0.05 1 779 84 84 VAL CB C 28.234 0.05 1 780 84 84 VAL CG1 C 22.710 0.05 1 781 84 84 VAL CG2 C 21.025 0.05 1 782 84 84 VAL N N 117.625 0.05 1 783 85 85 LEU H H 8.096 0.02 1 784 85 85 LEU HA H 3.858 0.02 1 785 85 85 LEU HB2 H 1.971 0.02 2 786 85 85 LEU HB3 H 1.655 0.02 2 787 85 85 LEU HG H 1.371 0.02 1 788 85 85 LEU HD1 H 0.399 0.02 1 789 85 85 LEU HD2 H 0.248 0.02 1 790 85 85 LEU CA C 55.648 0.05 1 791 85 85 LEU CB C 39.466 0.05 1 792 85 85 LEU CG C 23.910 0.05 1 793 85 85 LEU CD1 C 22.382 0.05 1 794 85 85 LEU CD2 C 20.556 0.05 1 795 85 85 LEU N N 121.688 0.05 1 796 86 86 TYR H H 8.939 0.02 1 797 86 86 TYR HA H 3.871 0.02 1 798 86 86 TYR HB2 H 3.486 0.02 2 799 86 86 TYR HB3 H 2.868 0.02 2 800 86 86 TYR HD1 H 7.155 0.02 1 801 86 86 TYR HD2 H 7.174 0.02 1 802 86 86 TYR HE2 H 6.613 0.02 1 803 86 86 TYR CA C 60.055 0.05 1 804 86 86 TYR CB C 35.643 0.05 1 805 86 86 TYR CD1 C 130.732 0.05 1 806 86 86 TYR CD2 C 130.780 0.05 1 807 86 86 TYR CE2 C 115.213 0.05 1 808 86 86 TYR N N 119.000 0.05 1 809 87 87 CYS H H 7.492 0.02 1 810 87 87 CYS HA H 3.756 0.02 1 811 87 87 CYS HB2 H 3.315 0.02 2 812 87 87 CYS HB3 H 2.825 0.02 2 813 87 87 CYS CA C 62.968 0.05 1 814 87 87 CYS CB C 43.826 0.05 1 815 87 87 CYS N N 116.062 0.05 1 816 88 88 VAL H H 8.332 0.02 1 817 88 88 VAL HA H 3.822 0.02 1 818 88 88 VAL HB H 2.091 0.02 1 819 88 88 VAL HG1 H 0.931 0.02 1 820 88 88 VAL HG2 H 1.075 0.02 1 821 88 88 VAL CA C 63.561 0.05 1 822 88 88 VAL CB C 28.773 0.05 1 823 88 88 VAL CG1 C 18.819 0.05 1 824 88 88 VAL CG2 C 21.134 0.05 1 825 88 88 VAL N N 120.438 0.05 1 826 89 89 HIS H H 8.759 0.02 1 827 89 89 HIS HA H 4.860 0.02 1 828 89 89 HIS HB2 H 3.295 0.02 2 829 89 89 HIS HB3 H 3.238 0.02 2 830 89 89 HIS HD2 H 6.757 0.02 1 831 89 89 HIS HE1 H 7.216 0.02 1 832 89 89 HIS CA C 55.278 0.05 1 833 89 89 HIS CB C 27.092 0.05 1 834 89 89 HIS CD2 C 115.606 0.05 1 835 89 89 HIS N N 119.500 0.05 1 836 90 90 GLN H H 7.890 0.02 1 837 90 90 GLN HA H 4.362 0.02 1 838 90 90 GLN HB2 H 2.037 0.02 2 839 90 90 GLN HB3 H 1.905 0.02 2 840 90 90 GLN HG2 H 1.825 0.02 2 841 90 90 GLN CA C 52.533 0.05 1 842 90 90 GLN CB C 28.653 0.05 1 843 90 90 GLN CG C 30.639 0.05 1 844 90 90 GLN N N 116.062 0.05 1 845 91 91 ARG H H 7.890 0.02 1 846 91 91 ARG HA H 3.940 0.02 1 847 91 91 ARG HB2 H 1.872 0.02 2 848 91 91 ARG HG2 H 1.563 0.02 2 849 91 91 ARG HD2 H 3.183 0.02 2 850 91 91 ARG CA C 54.516 0.05 1 851 91 91 ARG CB C 23.800 0.05 1 852 91 91 ARG CG C 25.148 0.05 1 853 91 91 ARG CD C 40.802 0.05 1 854 91 91 ARG N N 115.438 0.05 1 855 92 92 ILE H H 8.317 0.02 1 856 92 92 ILE HA H 3.968 0.02 1 857 92 92 ILE HB H 1.526 0.02 1 858 92 92 ILE HG12 H 1.493 0.02 9 859 92 92 ILE HG13 H 0.909 0.02 9 860 92 92 ILE HG2 H 0.802 0.02 1 861 92 92 ILE HD1 H 0.829 0.02 1 862 92 92 ILE CA C 58.155 0.05 1 863 92 92 ILE CB C 36.458 0.05 1 864 92 92 ILE CG1 C 24.512 0.05 1 865 92 92 ILE CG2 C 15.233 0.05 1 866 92 92 ILE CD1 C 11.035 0.05 1 867 92 92 ILE N N 120.438 0.05 1 868 93 93 ASP H H 8.583 0.02 1 869 93 93 ASP HA H 4.459 0.02 1 870 93 93 ASP HB2 H 2.640 0.02 2 871 93 93 ASP HB3 H 2.491 0.02 2 872 93 93 ASP CA C 52.227 0.05 1 873 93 93 ASP CB C 37.785 0.05 1 874 93 93 ASP N N 129.188 0.05 1 875 94 94 VAL H H 7.742 0.02 1 876 94 94 VAL HA H 4.549 0.02 1 877 94 94 VAL HB H 2.116 0.02 1 878 94 94 VAL HG1 H 0.818 0.02 1 879 94 94 VAL HG2 H 0.894 0.02 1 880 94 94 VAL CA C 56.279 0.05 1 881 94 94 VAL CB C 32.671 0.05 1 882 94 94 VAL CG1 C 25.19 0.05 1 883 94 94 VAL CG2 C 20.589 0.05 1 884 94 94 VAL N N 116.062 0.05 1 885 95 95 LYS H H 9.202 0.02 1 886 95 95 LYS HA H 4.412 0.02 1 887 95 95 LYS HB2 H 1.793 0.02 2 888 95 95 LYS HG2 H 1.536 0.02 2 889 95 95 LYS HD2 H 2.093 0.02 2 890 95 95 LYS CA C 54.380 0.05 1 891 95 95 LYS CB C 31.449 0.05 1 892 95 95 LYS CG C 21.937 0.05 1 893 95 95 LYS CD C 27.585 0.05 1 894 95 95 LYS N N 118.875 0.05 1 895 96 96 ASP H H 7.389 0.02 1 896 96 96 ASP HA H 5.593 0.02 1 897 96 96 ASP HB2 H 2.593 0.02 2 898 96 96 ASP CA C 50.149 0.05 1 899 96 96 ASP CB C 41.940 0.05 1 900 96 96 ASP N N 112.000 0.05 1 901 97 97 THR H H 7.182 0.02 1 902 97 97 THR HA H 3.650 0.02 1 903 97 97 THR HB H 4.023 0.02 1 904 97 97 THR HG2 H 1.310 0.02 1 905 97 97 THR CA C 63.296 0.05 1 906 97 97 THR CB C 67.644 0.05 1 907 97 97 THR CG2 C 19.802 0.05 1 908 97 97 THR N N 109.500 0.05 1 909 98 98 LYS H H 7.860 0.02 1 910 98 98 LYS HA H 3.926 0.02 1 911 98 98 LYS HB2 H 2.182 0.02 2 912 98 98 LYS HG2 H 1.338 0.02 2 913 98 98 LYS HD2 H 2.113 0.02 2 914 98 98 LYS CA C 57.045 0.05 1 915 98 98 LYS CB C 29.440 0.05 1 916 98 98 LYS CG C 21.938 0.05 1 917 98 98 LYS CD C 25.830 0.05 1 918 98 98 LYS N N 121.062 0.05 1 919 99 99 GLU H H 8.347 0.02 1 920 99 99 GLU HA H 4.005 0.02 1 921 99 99 GLU HB2 H 2.103 0.02 2 922 99 99 GLU HG2 H 2.466 0.02 2 923 99 99 GLU HG3 H 2.238 0.02 2 924 99 99 GLU CA C 57.062 0.05 1 925 99 99 GLU CB C 27.639 0.05 1 926 99 99 GLU CG C 34.518 0.05 1 927 99 99 GLU N N 119.188 0.05 1 928 100 100 ALA H H 7.359 0.02 1 929 100 100 ALA HA H 4.397 0.02 1 930 100 100 ALA HB H 1.478 0.02 1 931 100 100 ALA CA C 52.555 0.05 1 932 100 100 ALA CB C 17.068 0.05 1 933 100 100 ALA N N 118.875 0.05 1 934 101 101 LEU H H 8.111 0.02 1 935 101 101 LEU HA H 4.017 0.02 1 936 101 101 LEU HB2 H 1.981 0.02 2 937 101 101 LEU HB3 H 1.491 0.02 2 938 101 101 LEU HG H 1.901 0.02 1 939 101 101 LEU HD1 H 0.921 0.02 1 940 101 101 LEU HD2 H 1.001 0.02 1 941 101 101 LEU CA C 55.919 0.05 1 942 101 101 LEU CB C 38.580 0.05 1 943 101 101 LEU CG C 24.441 0.05 1 944 101 101 LEU CD1 C 23.239 0.05 1 945 101 101 LEU CD2 C 19.476 0.05 1 946 101 101 LEU N N 117.938 0.05 1 947 102 102 ASP H H 8.671 0.02 1 948 102 102 ASP HA H 4.375 0.02 1 949 102 102 ASP HB2 H 2.806 0.02 2 950 102 102 ASP HB3 H 2.644 0.02 2 951 102 102 ASP CA C 54.501 0.05 1 952 102 102 ASP CB C 36.936 0.05 1 953 102 102 ASP N N 120.438 0.05 1 954 103 103 LYS H H 8.155 0.02 1 955 103 103 LYS HA H 4.116 0.02 1 956 103 103 LYS HB2 H 1.907 0.02 2 957 103 103 LYS HB3 H 2.233 0.02 2 958 103 103 LYS HG2 H 1.793 0.02 2 959 103 103 LYS HD2 H 1.867 0.02 2 960 103 103 LYS CA C 55.548 0.05 1 961 103 103 LYS CB C 28.798 0.05 1 962 103 103 LYS CG C 21.449 0.05 1 963 103 103 LYS CD C 25.317 0.05 1 964 103 103 LYS N N 120.297 0.05 1 965 104 104 ILE H H 8.153 0.02 1 966 104 104 ILE HA H 3.810 0.02 1 967 104 104 ILE HB H 1.956 0.02 1 968 104 104 ILE HG12 H 1.627 0.02 9 969 104 104 ILE HG13 H 1.305 0.02 9 970 104 104 ILE HG2 H 0.833 0.02 1 971 104 104 ILE HD1 H 0.809 0.02 1 972 104 104 ILE CA C 60.414 0.05 1 973 104 104 ILE CB C 35.048 0.05 1 974 104 104 ILE CG2 C 15.175 0.05 1 975 104 104 ILE CD1 C 11.426 0.05 1 976 104 104 ILE N N 120.112 0.05 1 977 105 105 GLU H H 8.004 0.02 1 978 105 105 GLU HA H 4.102 0.02 1 979 105 105 GLU HB2 H 1.803 0.02 2 980 105 105 GLU HG2 H 2.342 0.02 2 981 105 105 GLU CA C 56.877 0.05 1 982 105 105 GLU CB C 30.097 0.05 1 983 105 105 GLU CG C 33.347 0.05 1 984 105 105 GLU N N 121.492 0.05 1 985 106 106 GLU H H 8.015 0.02 1 986 106 106 GLU HA H 3.999 0.02 1 987 106 106 GLU HB2 H 2.180 0.02 2 988 106 106 GLU HG2 H 2.445 0.02 2 989 106 106 GLU CA C 56.471 0.05 1 990 106 106 GLU CB C 26.786 0.05 1 991 106 106 GLU CG C 33.806 0.05 1 992 106 106 GLU N N 119.264 0.05 1 993 107 107 GLU H H 7.991 0.02 1 994 107 107 GLU HA H 4.091 0.02 1 995 107 107 GLU HB2 H 2.197 0.02 2 996 107 107 GLU HG2 H 2.451 0.02 2 997 107 107 GLU CA C 56.713 0.05 1 998 107 107 GLU CB C 27.044 0.05 1 999 107 107 GLU CG C 33.844 0.05 1 1000 107 107 GLU N N 118.975 0.05 1 1001 108 108 GLN H H 8.251 0.02 1 1002 108 108 GLN HA H 4.159 0.02 1 1003 108 108 GLN HB2 H 2.144 0.02 2 1004 108 108 GLN HG2 H 2.603 0.02 2 1005 108 108 GLN HG3 H 2.300 0.02 2 1006 108 108 GLN CA C 55.634 0.05 1 1007 108 108 GLN CB C 26.229 0.05 1 1008 108 108 GLN CG C 31.389 0.05 1 1009 108 108 GLN N N 118.640 0.05 1 1010 109 109 ASN H H 8.243 0.02 1 1011 109 109 ASN HA H 4.591 0.02 1 1012 109 109 ASN HB2 H 2.891 0.02 2 1013 109 109 ASN CA C 52.108 0.05 1 1014 109 109 ASN CB C 35.790 0.05 1 1015 109 109 ASN N N 118.326 0.05 1 1016 110 110 LYS H H 8.022 0.02 1 1017 110 110 LYS HA H 4.131 0.02 1 1018 110 110 LYS HB2 H 1.894 0.02 2 1019 110 110 LYS HG2 H 1.581 0.02 2 1020 110 110 LYS HD2 H 2.201 0.02 2 1021 110 110 LYS HE2 H 3.003 0.02 2 1022 110 110 LYS CA C 55.702 0.05 1 1023 110 110 LYS CB C 29.954 0.05 1 1024 110 110 LYS CG C 21.951 0.05 1 1025 110 110 LYS CD C 26.866 0.05 1 1026 110 110 LYS CE C 39.566 0.05 1 1027 110 110 LYS N N 120.281 0.05 1 1028 111 111 SER H H 7.993 0.02 1 1029 111 111 SER HA H 4.345 0.02 1 1030 111 111 SER HB2 H 3.916 0.02 2 1031 111 111 SER CA C 57.157 0.05 1 1032 111 111 SER CB C 60.746 0.05 1 1033 111 111 SER N N 114.420 0.05 1 1034 112 112 LYS H H 7.916 0.02 1 1035 112 112 LYS HA H 4.257 0.02 1 1036 112 112 LYS HB2 H 1.865 0.02 2 1037 112 112 LYS HG2 H 1.497 0.02 2 1038 112 112 LYS HD2 H 1.640 0.02 2 1039 112 112 LYS CA C 54.617 0.05 1 1040 112 112 LYS CB C 30.097 0.05 1 1041 112 112 LYS CG C 21.881 0.05 1 1042 112 112 LYS CD C 26.376 0.05 1 1043 112 112 LYS N N 122.125 0.05 1 1044 113 113 LYS H H 7.992 0.02 1 1045 113 113 LYS HA H 4.127 0.02 1 1046 113 113 LYS HB2 H 1.864 0.02 2 1047 113 113 LYS HG2 H 1.527 0.02 2 1048 113 113 LYS HD2 H 1.684 0.02 2 1049 113 113 LYS HE2 H 2.971 0.02 2 1050 113 113 LYS CA C 56.143 0.05 1 1051 113 113 LYS CB C 30.062 0.05 1 1052 113 113 LYS CG C 21.884 0.05 1 1053 113 113 LYS CD C 26.353 0.05 1 1054 113 113 LYS CE C 39.513 0.05 1 1055 113 113 LYS N N 120.750 0.05 1 1056 114 114 LYS H H 8.106 0.02 1 1057 114 114 LYS HA H 4.212 0.02 1 1058 114 114 LYS HB2 H 1.834 0.02 2 1059 114 114 LYS HG2 H 1.469 0.02 2 1060 114 114 LYS HD2 H 1.754 0.02 2 1061 114 114 LYS HE2 H 3.053 0.02 2 1062 114 114 LYS CA C 54.323 0.05 1 1063 114 114 LYS CB C 30.135 0.05 1 1064 114 114 LYS CG C 21.921 0.05 1 1065 114 114 LYS CD C 26.474 0.05 1 1066 114 114 LYS CE C 39.501 0.05 1 1067 114 114 LYS N N 121.574 0.05 1 1068 115 115 ALA H H 8.162 0.02 1 1069 115 115 ALA HA H 4.242 0.02 1 1070 115 115 ALA HB H 1.400 0.02 1 1071 115 115 ALA CA C 50.260 0.05 1 1072 115 115 ALA CB C 16.359 0.05 1 1073 115 115 ALA N N 124.108 0.05 1 1074 116 116 GLN H H 8.211 0.02 1 1075 116 116 GLN HA H 4.254 0.02 1 1076 116 116 GLN HB2 H 2.093 0.02 2 1077 116 116 GLN HG2 H 2.412 0.02 2 1078 116 116 GLN CA C 53.793 0.05 1 1079 116 116 GLN CB C 26.508 0.05 1 1080 116 116 GLN CG C 31.235 0.05 1 1081 116 116 GLN N N 119.025 0.05 1 1082 117 117 GLN H H 8.206 0.02 1 1083 117 117 GLN HA H 4.259 0.02 1 1084 117 117 GLN HB2 H 2.003 0.02 2 1085 117 117 GLN HG2 H 2.346 0.02 2 1086 117 117 GLN CA C 53.677 0.05 1 1087 117 117 GLN CB C 26.905 0.05 1 1088 117 117 GLN CG C 31.309 0.05 1 1089 117 117 GLN N N 120.906 0.05 1 1090 118 118 ALA H H 8.258 0.02 1 1091 118 118 ALA HA H 4.256 0.02 1 1092 118 118 ALA HB H 1.389 0.02 1 1093 118 118 ALA CA C 50.114 0.05 1 1094 118 118 ALA CB C 16.343 0.05 1 1095 118 118 ALA N N 124.890 0.05 1 1096 119 119 ALA H H 8.152 0.02 1 1097 119 119 ALA HA H 4.250 0.02 1 1098 119 119 ALA HB H 1.395 0.02 1 1099 119 119 ALA CA C 50.047 0.05 1 1100 119 119 ALA CB C 16.377 0.05 1 1101 119 119 ALA N N 122.928 0.05 1 1102 120 120 ALA H H 8.148 0.02 1 1103 120 120 ALA HA H 4.286 0.02 1 1104 120 120 ALA HB H 1.375 0.02 1 1105 120 120 ALA CA C 50.062 0.05 1 1106 120 120 ALA CB C 16.437 0.05 1 1107 120 120 ALA N N 122.547 0.05 1 1108 121 121 ASP H H 8.238 0.02 1 1109 121 121 ASP HA H 4.650 0.02 1 1110 121 121 ASP HB2 H 2.698 0.02 2 1111 121 121 ASP HB3 H 2.651 0.02 2 1112 121 121 ASP CA C 51.735 0.05 1 1113 121 121 ASP CB C 38.458 0.05 1 1114 121 121 ASP N N 119.263 0.05 1 1115 122 122 THR H H 8.064 0.02 1 1116 122 122 THR HA H 4.314 0.02 1 1117 122 122 THR HB H 4.336 0.02 1 1118 122 122 THR HG2 H 1.226 0.02 1 1119 122 122 THR CA C 59.492 0.05 1 1120 122 122 THR CB C 67.111 0.05 1 1121 122 122 THR CG2 C 18.827 0.05 1 1122 122 122 THR N N 113.483 0.05 1 1123 123 123 GLY H H 8.411 0.02 1 1124 123 123 GLY HA2 H 3.962 0.02 2 1125 123 123 GLY CA C 42.972 0.05 1 1126 123 123 GLY N N 110.504 0.05 1 1127 124 124 ASN H H 8.241 0.02 1 1128 124 124 ASN HA H 4.591 0.02 1 1129 124 124 ASN HB2 H 2.821 0.02 2 1130 124 124 ASN CA C 51.759 0.05 1 1131 124 124 ASN CB C 35.831 0.05 1 1132 124 124 ASN N N 118.646 0.05 1 1133 125 125 ASN H H 8.431 0.02 1 1134 125 125 ASN HA H 4.685 0.02 1 1135 125 125 ASN HB2 H 2.821 0.02 2 1136 125 125 ASN CA C 50.718 0.05 1 1137 125 125 ASN CB C 36.127 0.05 1 1138 125 125 ASN N N 119.088 0.05 1 1139 126 126 SER H H 8.251 0.02 1 1140 126 126 SER HA H 4.400 0.02 1 1141 126 126 SER HB2 H 3.891 0.02 2 1142 126 126 SER CA C 55.770 0.05 1 1143 126 126 SER CB C 61.604 0.05 1 1144 126 126 SER N N 115.692 0.05 1 1145 127 127 GLN H H 8.340 0.02 1 1146 127 127 GLN HA H 4.338 0.02 1 1147 127 127 GLN HB2 H 1.993 0.02 2 1148 127 127 GLN HG2 H 2.322 0.02 2 1149 127 127 GLN CA C 53.379 0.05 1 1150 127 127 GLN CB C 26.644 0.05 1 1151 127 127 GLN CG C 31.139 0.05 1 1152 127 127 GLN N N 121.582 0.05 1 1153 128 128 VAL H H 7.980 0.02 1 1154 128 128 VAL HA H 4.118 0.02 1 1155 128 128 VAL HB H 2.011 0.02 1 1156 128 128 VAL HG1 H 0.827 0.02 1 1157 128 128 VAL HG2 H 0.936 0.02 1 1158 128 128 VAL CA C 59.984 0.05 1 1159 128 128 VAL CB C 30.082 0.05 1 1160 128 128 VAL CG1 C 17.904 0.05 1 1161 128 128 VAL CG2 C 18.104 0.05 1 1162 128 128 VAL N N 119.732 0.05 1 1163 129 129 SER H H 8.251 0.02 1 1164 129 129 SER HA H 4.238 0.02 1 1165 129 129 SER HB2 H 3.872 0.02 2 1166 129 129 SER CA C 55.872 0.05 1 1167 129 129 SER CB C 61.126 0.05 1 1168 129 129 SER N N 118.050 0.05 1 1169 130 130 GLN H H 8.253 0.02 1 1170 130 130 GLN HA H 4.316 0.02 1 1171 130 130 GLN HB2 H 1.973 0.02 2 1172 130 130 GLN HG2 H 2.312 0.02 2 1173 130 130 GLN CA C 53.288 0.05 1 1174 130 130 GLN CB C 26.957 0.05 1 1175 130 130 GLN CG C 30.976 0.05 1 1176 130 130 GLN N N 121.071 0.05 1 1177 131 131 ASN H H 8.266 0.02 1 1178 131 131 ASN HA H 4.603 0.02 1 1179 131 131 ASN CA C 51.093 0.05 1 1180 131 131 ASN N N 118.379 0.05 1 1181 132 132 TYR H H 7.939 0.02 1 1182 132 132 TYR HA H 4.336 0.02 1 1183 132 132 TYR HB2 H 2.876 0.02 2 1184 132 132 TYR HE2 H 6.968 0.02 1 1185 132 132 TYR CA C 55.573 0.05 1 1186 132 132 TYR CB C 35.748 0.05 1 1187 132 132 TYR CE2 C 115.5 0.05 1 1188 132 132 TYR N N 120.262 0.05 1 stop_ save_