data_16049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human brain-type fatty acid binding protein (hb-FABP bound to linoleic acid (LNA)) ; _BMRB_accession_number 16049 _BMRB_flat_file_name bmr16049.str _Entry_type original _Submission_date 2008-12-01 _Accession_date 2008-12-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 15N and 13C assignments' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Oeemig Jesper S. . 2 Jorgensen Mathilde L. . 3 Hansen Mikka S. . 4 Petersen Evamaria I. . 5 Duroux Laurent P. . 6 Wimmer Reinhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 707 "13C chemical shifts" 388 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-20 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-03-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16042 'human brain-type fatty acid binding protein (hb-FABP)' 16046 'human brain-type fatty acid binding protein (hb-FABP bound to docosahexaenoic acid (DHA))' 16047 'human brain-type fatty acid binding protein (hb-FABP bound to elaidic acid)' 16048 'human brain-type fatty acid binding protein (hb-FABP bound to oleic acid (OLA))' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and sidechain 1H, 13C and 15N resonance assignments of the human brain-type fatty acid binding protein (FABP7) in its apo form and the holo forms binding to DHA, oleic acid, linoleic acid and elaidic acid' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636954 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Oeemig Jesper S. . 2 Jorgensen Mathilde L. . 3 Hansen Mikka S. . 4 Petersen Evamaria I. . 5 Duroux Laurent . . 6 Wimmer Reinhard . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 89 _Page_last 93 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EIC-hb-FABP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hb-FABP $hb-FABP 'LINOLEIC ACID' $EIC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hb-FABP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hb-FABP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; VEAFCATWKLTNSQNFDEYM KALGVGFATRQVGNVTKPTV IISQEGDKVVIRTLSTFKNT EISFQLGEEFDETTADDRNC KSVVSLDGDKLVHIQKWDGK ETNFVREIKDGKMVMTLTFG DVVAVRHYEKA ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 GLU 3 ALA 4 PHE 5 CYS 6 ALA 7 THR 8 TRP 9 LYS 10 LEU 11 THR 12 ASN 13 SER 14 GLN 15 ASN 16 PHE 17 ASP 18 GLU 19 TYR 20 MET 21 LYS 22 ALA 23 LEU 24 GLY 25 VAL 26 GLY 27 PHE 28 ALA 29 THR 30 ARG 31 GLN 32 VAL 33 GLY 34 ASN 35 VAL 36 THR 37 LYS 38 PRO 39 THR 40 VAL 41 ILE 42 ILE 43 SER 44 GLN 45 GLU 46 GLY 47 ASP 48 LYS 49 VAL 50 VAL 51 ILE 52 ARG 53 THR 54 LEU 55 SER 56 THR 57 PHE 58 LYS 59 ASN 60 THR 61 GLU 62 ILE 63 SER 64 PHE 65 GLN 66 LEU 67 GLY 68 GLU 69 GLU 70 PHE 71 ASP 72 GLU 73 THR 74 THR 75 ALA 76 ASP 77 ASP 78 ARG 79 ASN 80 CYS 81 LYS 82 SER 83 VAL 84 VAL 85 SER 86 LEU 87 ASP 88 GLY 89 ASP 90 LYS 91 LEU 92 VAL 93 HIS 94 ILE 95 GLN 96 LYS 97 TRP 98 ASP 99 GLY 100 LYS 101 GLU 102 THR 103 ASN 104 PHE 105 VAL 106 ARG 107 GLU 108 ILE 109 LYS 110 ASP 111 GLY 112 LYS 113 MET 114 VAL 115 MET 116 THR 117 LEU 118 THR 119 PHE 120 GLY 121 ASP 122 VAL 123 VAL 124 ALA 125 VAL 126 ARG 127 HIS 128 TYR 129 GLU 130 LYS 131 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16042 hb-FABP 100.00 131 100.00 100.00 3.74e-90 BMRB 16046 hb-FABP 100.00 131 100.00 100.00 3.74e-90 BMRB 16047 hb-FABP 100.00 131 100.00 100.00 3.74e-90 BMRB 16048 hb-FABP 100.00 131 100.00 100.00 3.74e-90 PDB 1FDQ "Crystal Structure Of Human Brain Fatty Acid Binding Protein" 100.00 131 100.00 100.00 3.74e-90 PDB 1FE3 "Crystal Structure Of Human Brain Fatty Acid Binding Protein Oleic Acid" 100.00 131 100.00 100.00 3.74e-90 PDB 1JJX "Solution Structure Of Recombinant Human Brain-Type Fatty Acid Binding Protein" 100.00 131 100.00 100.00 3.74e-90 DBJ BAA23324 "fatty acid binding protein [Homo sapiens]" 100.00 132 99.24 100.00 2.10e-89 DBJ BAA23645 "B-FABP [Homo sapiens]" 100.00 132 100.00 100.00 3.50e-90 DBJ BAD92052 "Hypothetical protein DKFZp547J2313 variant [Homo sapiens]" 61.83 103 100.00 100.00 1.95e-50 DBJ BAE90445 "unnamed protein product [Macaca fascicularis]" 100.00 132 97.71 99.24 2.45e-88 DBJ BAF82525 "unnamed protein product [Homo sapiens]" 87.79 166 100.00 100.00 6.74e-78 EMBL CAA05773 "hB-FABP [Homo sapiens]" 100.00 132 100.00 100.00 3.50e-90 EMBL CAC21646 "hypothetical protein [Homo sapiens]" 87.79 166 100.00 100.00 6.74e-78 EMBL CAG33338 "FABP7 [Homo sapiens]" 100.00 132 99.24 100.00 7.85e-90 GB AAB87141 "fatty acid binding protein [Homo sapiens]" 100.00 132 100.00 100.00 3.50e-90 GB AAD00507 "mammary derived growth inhibitor related [Homo sapiens]" 100.00 132 100.00 100.00 3.50e-90 GB AAH12299 "Fatty acid binding protein 7, brain [Homo sapiens]" 100.00 132 100.00 100.00 3.50e-90 GB AAY17257 "brain-type fatty acid-binding protein [Sus scrofa]" 100.00 132 96.95 98.47 2.68e-87 GB ABM82363 "fatty acid binding protein 7, brain [synthetic construct]" 100.00 132 100.00 100.00 3.50e-90 REF NP_001020400 "fatty acid-binding protein, brain [Sus scrofa]" 100.00 132 96.95 98.47 2.68e-87 REF NP_001244643 "fatty acid-binding protein, brain [Macaca mulatta]" 100.00 132 97.71 99.24 2.45e-88 REF NP_001270567 "uncharacterized protein LOC101865805 [Macaca fascicularis]" 100.00 132 97.71 99.24 2.45e-88 REF NP_001437 "fatty acid-binding protein, brain [Homo sapiens]" 100.00 132 100.00 100.00 3.50e-90 REF XP_002746967 "PREDICTED: fatty acid-binding protein, brain [Callithrix jacchus]" 100.00 132 97.71 99.24 2.45e-88 SP O15540 "RecName: Full=Fatty acid-binding protein, brain; AltName: Full=Brain lipid-binding protein; Short=BLBP; AltName: Full=Brain-typ" 100.00 132 100.00 100.00 3.50e-90 stop_ save_ ############# # Ligands # ############# save_EIC _Saveframe_category ligand _Mol_type non-polymer _Name_common "EIC (LINOLEIC ACID)" _BMRB_code . _PDB_code EIC _Molecular_mass 280.445 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:48:39 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C N 0 . ? C10 C10 C N 0 . ? C11 C11 C N 0 . ? C12 C12 C N 0 . ? C13 C13 C N 0 . ? C14 C14 C N 0 . ? C15 C15 C N 0 . ? C16 C16 C N 0 . ? C17 C17 C N 0 . ? C18 C18 C N 0 . ? C2 C2 C N 0 . ? C3 C3 C N 0 . ? C4 C4 C N 0 . ? C5 C5 C N 0 . ? C6 C6 C N 0 . ? C7 C7 C N 0 . ? C8 C8 C N 0 . ? C9 C9 C N 0 . ? H111 H111 H N 0 . ? H112 H112 H N 0 . ? H121 H121 H N 0 . ? H131 H131 H N 0 . ? H141 H141 H N 0 . ? H142 H142 H N 0 . ? H151 H151 H N 0 . ? H152 H152 H N 0 . ? H161 H161 H N 0 . ? H162 H162 H N 0 . ? H171 H171 H N 0 . ? H172 H172 H N 0 . ? H181 H181 H N 0 . ? H182 H182 H N 0 . ? H183 H183 H N 0 . ? H1O1 H1O1 H N 0 . ? H21 H21 H N 0 . ? H22 H22 H N 0 . ? H31 H31 H N 0 . ? H32 H32 H N 0 . ? H41 H41 H N 0 . ? H42 H42 H N 0 . ? H51 H51 H N 0 . ? H52 H52 H N 0 . ? H61 H61 H N 0 . ? H62 H62 H N 0 . ? H71 H71 H N 0 . ? H72 H72 H N 0 . ? H81 H81 H N 0 . ? H82 H82 H N 0 . ? H91 H91 H N 0 . ? HO2 HO2 H N 0 . ? O1 O1 O N 0 . ? O2 O2 O N 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? DOUB C1 O1 ? ? SING C1 O2 ? ? 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 ? ? DOUB C9 C10 ? ? SING C9 H91 ? ? SING C10 C11 ? ? SING C10 H1O1 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? DOUB C12 C13 ? ? SING C12 H121 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C14 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 C18 ? ? SING C17 H171 ? ? SING C17 H172 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? SING O2 HO2 ? ? 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 $hb-FABP Human 9606 Eukaryota Metazoa Homo sapiens 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 $hb-FABP 'recombinant technology' . Escherichia coli BL21 pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hb-FABP 0.85 mM '[U-98% 13C; U-98% 15N]' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' DSS 1 mM 'natural abundance' TRIS 10 mM 'natural abundance' $EIC 7.2 mM '[U-95% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address CARA . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 'ionic strength' 0.01 . M pH 7.4 0.05 pH pressure 1 . atm temperature 298.1 0.1 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hb-FABP _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 VAL HA H 4.123 0.01 1 2 1 1 VAL HB H 2.181 0.01 1 3 1 1 VAL HG1 H 0.854 0.01 2 4 1 1 VAL HG2 H 0.765 0.01 2 5 1 1 VAL CA C 63.858 0.1 1 6 1 1 VAL CB C 31.954 0.1 1 7 1 1 VAL CG1 C 22.021 0.1 2 8 2 2 GLU H H 9.470 0.01 1 9 2 2 GLU HA H 4.090 0.01 1 10 2 2 GLU HB2 H 1.999 0.01 2 11 2 2 GLU HB3 H 1.990 0.01 2 12 2 2 GLU HG2 H 2.364 0.01 2 13 2 2 GLU HG3 H 2.308 0.01 2 14 2 2 GLU CA C 61.133 0.1 1 15 2 2 GLU CB C 28.708 0.1 1 16 2 2 GLU CG C 36.786 0.1 1 17 2 2 GLU N N 122.658 0.1 1 18 3 3 ALA H H 8.033 0.01 1 19 3 3 ALA HA H 3.980 0.01 1 20 3 3 ALA HB H 1.123 0.01 1 21 3 3 ALA CA C 54.557 0.1 1 22 3 3 ALA CB C 18.709 0.1 1 23 3 3 ALA N N 121.774 0.1 1 24 4 4 PHE H H 7.993 0.01 1 25 4 4 PHE HA H 4.313 0.01 1 26 4 4 PHE HB2 H 2.952 0.01 2 27 4 4 PHE HB3 H 3.186 0.01 2 28 4 4 PHE CA C 59.720 0.1 1 29 4 4 PHE CB C 39.998 0.1 1 30 4 4 PHE N N 111.932 0.1 1 31 5 5 CYS H H 7.427 0.01 1 32 5 5 CYS HA H 4.455 0.01 1 33 5 5 CYS HB2 H 3.239 0.01 2 34 5 5 CYS HB3 H 2.660 0.01 2 35 5 5 CYS CA C 61.082 0.1 1 36 5 5 CYS CB C 26.706 0.1 1 37 5 5 CYS N N 117.365 0.1 1 38 6 6 ALA H H 8.404 0.01 1 39 6 6 ALA HA H 4.130 0.01 1 40 6 6 ALA HB H 0.581 0.01 1 41 6 6 ALA CA C 50.927 0.1 1 42 6 6 ALA CB C 19.561 0.1 1 43 6 6 ALA N N 130.149 0.1 1 44 7 7 THR H H 7.850 0.01 1 45 7 7 THR HA H 4.579 0.01 1 46 7 7 THR HB H 3.850 0.01 1 47 7 7 THR HG2 H 0.947 0.01 1 48 7 7 THR CA C 63.332 0.1 1 49 7 7 THR CB C 69.021 0.1 1 50 7 7 THR CG2 C 21.809 0.1 1 51 7 7 THR N N 116.293 0.1 1 52 8 8 TRP H H 9.704 0.01 1 53 8 8 TRP HA H 5.206 0.01 1 54 8 8 TRP HB2 H 3.120 0.01 2 55 8 8 TRP HB3 H 3.120 0.01 2 56 8 8 TRP HE1 H 10.044 0.01 1 57 8 8 TRP CA C 55.324 0.1 1 58 8 8 TRP CB C 32.365 0.1 1 59 8 8 TRP N N 128.497 0.1 1 60 8 8 TRP NE1 N 129.931 0.1 1 61 9 9 LYS H H 9.806 0.01 1 62 9 9 LYS HA H 5.313 0.01 1 63 9 9 LYS HB2 H 1.731 0.01 2 64 9 9 LYS HB3 H 1.841 0.01 2 65 9 9 LYS HD2 H 1.620 0.01 2 66 9 9 LYS HD3 H 1.620 0.01 2 67 9 9 LYS HE2 H 2.845 0.01 2 68 9 9 LYS HE3 H 2.846 0.01 2 69 9 9 LYS HG2 H 1.480 0.01 2 70 9 9 LYS HG3 H 1.331 0.01 2 71 9 9 LYS CA C 54.680 0.1 1 72 9 9 LYS CB C 35.801 0.1 1 73 9 9 LYS CD C 29.563 0.1 1 74 9 9 LYS CE C 42.276 0.1 1 75 9 9 LYS CG C 25.025 0.1 1 76 9 9 LYS N N 121.810 0.1 1 77 10 10 LEU H H 7.758 0.01 1 78 10 10 LEU HA H 3.807 0.01 1 79 10 10 LEU HB2 H 1.465 0.01 2 80 10 10 LEU HB3 H 1.181 0.01 2 81 10 10 LEU HD1 H 0.754 0.01 2 82 10 10 LEU HD2 H 0.261 0.01 2 83 10 10 LEU HG H 1.238 0.01 1 84 10 10 LEU CA C 56.461 0.1 1 85 10 10 LEU CB C 42.864 0.1 1 86 10 10 LEU CD1 C 26.898 0.1 2 87 10 10 LEU CD2 C 23.755 0.1 2 88 10 10 LEU CG C 26.574 0.1 1 89 10 10 LEU N N 126.293 0.1 1 90 11 11 THR H H 9.508 0.01 1 91 11 11 THR HA H 4.473 0.01 1 92 11 11 THR HB H 4.089 0.01 1 93 11 11 THR HG2 H 1.117 0.01 1 94 11 11 THR CA C 61.994 0.1 1 95 11 11 THR CB C 69.875 0.1 1 96 11 11 THR CG2 C 22.547 0.1 1 97 11 11 THR N N 118.923 0.1 1 98 12 12 ASN H H 7.631 0.01 1 99 12 12 ASN HA H 4.790 0.01 1 100 12 12 ASN HB2 H 2.618 0.01 2 101 12 12 ASN HB3 H 2.484 0.01 2 102 12 12 ASN HD21 H 7.770 0.01 2 103 12 12 ASN HD22 H 7.205 0.01 2 104 12 12 ASN CA C 53.550 0.1 1 105 12 12 ASN CB C 42.039 0.1 1 106 12 12 ASN N N 119.046 0.1 1 107 12 12 ASN ND2 N 111.704 0.1 1 108 13 13 SER H H 8.354 0.01 1 109 13 13 SER HA H 4.975 0.01 1 110 13 13 SER HB2 H 3.360 0.01 2 111 13 13 SER HB3 H 3.640 0.01 2 112 13 13 SER CA C 57.417 0.1 1 113 13 13 SER CB C 64.881 0.1 1 114 13 13 SER N N 117.094 0.1 1 115 14 14 GLN H H 9.318 0.01 1 116 14 14 GLN HA H 4.723 0.01 1 117 14 14 GLN HB2 H 1.950 0.01 2 118 14 14 GLN HB3 H 2.100 0.01 2 119 14 14 GLN HE21 H 7.637 0.01 2 120 14 14 GLN HE22 H 6.874 0.01 2 121 14 14 GLN HG2 H 2.243 0.01 2 122 14 14 GLN HG3 H 2.249 0.01 2 123 14 14 GLN CA C 55.121 0.1 1 124 14 14 GLN CB C 32.154 0.1 1 125 14 14 GLN CG C 33.815 0.1 1 126 14 14 GLN N N 127.960 0.1 1 127 14 14 GLN NE2 N 112.746 0.1 1 128 15 15 ASN H H 9.404 0.01 1 129 15 15 ASN HA H 4.750 0.01 1 130 15 15 ASN HB2 H 2.647 0.01 2 131 15 15 ASN HB3 H 3.725 0.01 2 132 15 15 ASN HD21 H 7.362 0.01 2 133 15 15 ASN HD22 H 6.755 0.01 2 134 15 15 ASN CA C 54.255 0.1 1 135 15 15 ASN CB C 39.791 0.1 1 136 15 15 ASN N N 123.249 0.1 1 137 15 15 ASN ND2 N 115.183 0.1 1 138 16 16 PHE H H 8.729 0.01 1 139 16 16 PHE HA H 4.395 0.01 1 140 16 16 PHE HB2 H 2.834 0.01 2 141 16 16 PHE HB3 H 3.107 0.01 2 142 16 16 PHE HZ H 6.860 0.01 1 143 16 16 PHE CA C 59.967 0.1 1 144 16 16 PHE CB C 40.016 0.1 1 145 16 16 PHE N N 120.439 0.1 1 146 17 17 ASP H H 8.695 0.01 1 147 17 17 ASP HA H 4.210 0.01 1 148 17 17 ASP HB2 H 2.453 0.01 2 149 17 17 ASP HB3 H 2.794 0.01 2 150 17 17 ASP CA C 58.573 0.1 1 151 17 17 ASP CB C 41.835 0.1 1 152 17 17 ASP N N 120.442 0.1 1 153 18 18 GLU H H 8.229 0.01 1 154 18 18 GLU HA H 3.706 0.01 1 155 18 18 GLU HB2 H 1.963 0.01 2 156 18 18 GLU HB3 H 1.853 0.01 2 157 18 18 GLU HG2 H 2.391 0.01 2 158 18 18 GLU HG3 H 2.302 0.01 2 159 18 18 GLU CA C 59.646 0.1 1 160 18 18 GLU CB C 28.583 0.1 1 161 18 18 GLU CG C 37.033 0.1 1 162 18 18 GLU N N 118.619 0.1 1 163 19 19 TYR H H 7.619 0.01 1 164 19 19 TYR HA H 3.853 0.01 1 165 19 19 TYR HB2 H 2.960 0.01 2 166 19 19 TYR HB3 H 2.797 0.01 2 167 19 19 TYR CA C 62.695 0.1 1 168 19 19 TYR CB C 39.420 0.1 1 169 19 19 TYR N N 121.666 0.1 1 170 20 20 MET H H 8.230 0.01 1 171 20 20 MET HA H 3.194 0.01 1 172 20 20 MET HB2 H 2.043 0.01 2 173 20 20 MET HB3 H 1.173 0.01 2 174 20 20 MET HE H 2.040 0.01 1 175 20 20 MET HG2 H 1.101 0.01 2 176 20 20 MET HG3 H 1.121 0.01 2 177 20 20 MET CA C 60.342 0.1 1 178 20 20 MET CB C 34.612 0.1 1 179 20 20 MET CG C 32.124 0.1 1 180 20 20 MET N N 117.538 0.1 1 181 21 21 LYS H H 8.509 0.01 1 182 21 21 LYS HA H 3.670 0.01 1 183 21 21 LYS HB2 H 1.735 0.01 2 184 21 21 LYS HB3 H 1.567 0.01 2 185 21 21 LYS HD2 H 1.550 0.01 2 186 21 21 LYS HD3 H 1.506 0.01 2 187 21 21 LYS HE2 H 2.777 0.01 2 188 21 21 LYS HE3 H 2.774 0.01 2 189 21 21 LYS HG2 H 1.321 0.01 2 190 21 21 LYS HG3 H 1.097 0.01 2 191 21 21 LYS CA C 60.129 0.1 1 192 21 21 LYS CB C 32.486 0.1 1 193 21 21 LYS CD C 29.634 0.1 1 194 21 21 LYS CE C 41.792 0.1 1 195 21 21 LYS CG C 25.320 0.1 1 196 21 21 LYS N N 119.619 0.1 1 197 22 22 ALA H H 8.048 0.01 1 198 22 22 ALA HA H 3.958 0.01 1 199 22 22 ALA HB H 1.525 0.01 1 200 22 22 ALA CA C 54.857 0.1 1 201 22 22 ALA CB C 18.053 0.1 1 202 22 22 ALA N N 124.770 0.1 1 203 23 23 LEU H H 7.382 0.01 1 204 23 23 LEU HA H 3.276 0.01 1 205 23 23 LEU HB2 H 1.078 0.01 2 206 23 23 LEU HB3 H 1.064 0.01 2 207 23 23 LEU HD1 H 0.120 0.01 2 208 23 23 LEU HD2 H 0.145 0.01 2 209 23 23 LEU HG H 0.931 0.01 1 210 23 23 LEU CA C 55.576 0.1 1 211 23 23 LEU CB C 43.709 0.1 1 212 23 23 LEU CD1 C 23.615 0.1 2 213 23 23 LEU CD2 C 25.019 0.1 2 214 23 23 LEU CG C 26.524 0.1 1 215 23 23 LEU N N 117.082 0.1 1 216 24 24 GLY H H 7.590 0.01 1 217 24 24 GLY HA2 H 3.519 0.01 2 218 24 24 GLY HA3 H 4.058 0.01 2 219 24 24 GLY CA C 44.977 0.1 1 220 24 24 GLY N N 106.649 0.1 1 221 25 25 VAL H H 7.547 0.01 1 222 25 25 VAL HA H 3.599 0.01 1 223 25 25 VAL HB H 1.308 0.01 1 224 25 25 VAL HG1 H 0.695 0.01 2 225 25 25 VAL HG2 H 0.847 0.01 2 226 25 25 VAL CA C 63.163 0.1 1 227 25 25 VAL CB C 31.808 0.1 1 228 25 25 VAL CG1 C 22.710 0.1 2 229 25 25 VAL N N 122.646 0.1 1 230 26 26 GLY H H 8.877 0.01 1 231 26 26 GLY HA2 H 3.960 0.01 2 232 26 26 GLY HA3 H 3.920 0.01 2 233 26 26 GLY CA C 45.418 0.1 1 234 26 26 GLY N N 116.376 0.1 1 235 27 27 PHE H H 8.621 0.01 1 236 27 27 PHE HA H 3.770 0.01 1 237 27 27 PHE HB2 H 3.144 0.01 2 238 27 27 PHE HB3 H 2.920 0.01 2 239 27 27 PHE CA C 62.796 0.1 1 240 27 27 PHE CB C 39.497 0.1 1 241 27 27 PHE N N 121.985 0.1 1 242 28 28 ALA H H 8.803 0.01 1 243 28 28 ALA HA H 3.870 0.01 1 244 28 28 ALA HB H 1.354 0.01 1 245 28 28 ALA CA C 55.472 0.1 1 246 28 28 ALA CB C 17.947 0.1 1 247 28 28 ALA N N 121.468 0.1 1 248 29 29 THR H H 7.606 0.01 1 249 29 29 THR HA H 3.567 0.01 1 250 29 29 THR HB H 3.822 0.01 1 251 29 29 THR HG2 H 0.833 0.01 1 252 29 29 THR CA C 65.842 0.1 1 253 29 29 THR CB C 67.641 0.1 1 254 29 29 THR CG2 C 22.540 0.1 1 255 29 29 THR N N 116.463 0.1 1 256 30 30 ARG H H 8.436 0.01 1 257 30 30 ARG HA H 3.816 0.01 1 258 30 30 ARG HB2 H 1.590 0.01 2 259 30 30 ARG HB3 H 1.578 0.01 2 260 30 30 ARG HD2 H 2.646 0.01 2 261 30 30 ARG HD3 H 3.046 0.01 2 262 30 30 ARG HG2 H 1.212 0.01 2 263 30 30 ARG HG3 H 1.212 0.01 2 264 30 30 ARG CA C 59.588 0.1 1 265 30 30 ARG CB C 29.685 0.1 1 266 30 30 ARG CD C 44.440 0.1 1 267 30 30 ARG CG C 27.226 0.1 1 268 30 30 ARG N N 123.841 0.1 1 269 31 31 GLN H H 7.742 0.01 1 270 31 31 GLN HA H 3.751 0.01 1 271 31 31 GLN HB2 H 1.810 0.01 2 272 31 31 GLN HB3 H 1.810 0.01 2 273 31 31 GLN HE21 H 6.901 0.01 2 274 31 31 GLN HE22 H 6.823 0.01 2 275 31 31 GLN HG2 H 1.843 0.01 2 276 31 31 GLN HG3 H 1.915 0.01 2 277 31 31 GLN CA C 58.842 0.1 1 278 31 31 GLN CB C 28.091 0.1 1 279 31 31 GLN CG C 33.773 0.1 1 280 31 31 GLN N N 116.872 0.1 1 281 31 31 GLN NE2 N 114.048 0.1 1 282 32 32 VAL H H 6.807 0.01 1 283 32 32 VAL HA H 3.569 0.01 1 284 32 32 VAL HB H 1.629 0.01 1 285 32 32 VAL HG1 H 0.390 0.01 2 286 32 32 VAL HG2 H 0.662 0.01 2 287 32 32 VAL CA C 65.197 0.1 1 288 32 32 VAL CB C 31.716 0.1 1 289 32 32 VAL CG1 C 20.995 0.1 2 290 32 32 VAL CG2 C 21.534 0.1 2 291 32 32 VAL N N 117.693 0.1 1 292 33 33 GLY H H 8.852 0.01 1 293 33 33 GLY HA2 H 3.434 0.01 2 294 33 33 GLY HA3 H 3.574 0.01 2 295 33 33 GLY CA C 47.354 0.1 1 296 33 33 GLY N N 111.400 0.1 1 297 34 34 ASN H H 8.260 0.01 1 298 34 34 ASN HA H 4.750 0.01 1 299 34 34 ASN HB2 H 2.680 0.01 2 300 34 34 ASN HB3 H 2.595 0.01 2 301 34 34 ASN HD21 H 7.400 0.01 2 302 34 34 ASN HD22 H 6.794 0.01 2 303 34 34 ASN CA C 55.576 0.1 1 304 34 34 ASN CB C 39.455 0.1 1 305 34 34 ASN N N 117.842 0.1 1 306 34 34 ASN ND2 N 113.462 0.1 1 307 35 35 VAL H H 7.267 0.01 1 308 35 35 VAL HA H 4.440 0.01 1 309 35 35 VAL HB H 2.190 0.01 1 310 35 35 VAL HG1 H 0.906 0.01 2 311 35 35 VAL HG2 H 0.865 0.01 2 312 35 35 VAL CA C 61.968 0.1 1 313 35 35 VAL CB C 33.297 0.1 1 314 35 35 VAL CG1 C 19.663 0.1 2 315 35 35 VAL CG2 C 21.060 0.1 2 316 35 35 VAL N N 112.885 0.1 1 317 36 36 THR H H 7.462 0.01 1 318 36 36 THR HA H 4.138 0.01 1 319 36 36 THR HB H 3.934 0.01 1 320 36 36 THR HG2 H 1.157 0.01 1 321 36 36 THR CA C 64.010 0.1 1 322 36 36 THR CB C 69.460 0.1 1 323 36 36 THR CG2 C 21.701 0.1 1 324 36 36 THR N N 118.401 0.1 1 325 38 38 PRO HA H 4.751 0.01 1 326 38 38 PRO HB2 H 1.865 0.01 2 327 38 38 PRO HB3 H 2.023 0.01 2 328 38 38 PRO HD2 H 3.676 0.01 2 329 38 38 PRO HD3 H 3.602 0.01 2 330 38 38 PRO HG2 H 1.918 0.01 2 331 38 38 PRO HG3 H 1.600 0.01 2 332 38 38 PRO CA C 62.674 0.1 1 333 38 38 PRO CB C 33.434 0.1 1 334 38 38 PRO CD C 51.538 0.1 1 335 38 38 PRO CG C 27.456 0.1 1 336 39 39 THR H H 8.524 0.01 1 337 39 39 THR HA H 5.195 0.01 1 338 39 39 THR HB H 3.962 0.01 1 339 39 39 THR HG2 H 1.143 0.01 1 340 39 39 THR CA C 62.014 0.1 1 341 39 39 THR CB C 71.009 0.1 1 342 39 39 THR CG2 C 21.580 0.1 1 343 39 39 THR N N 118.089 0.1 1 344 40 40 VAL H H 9.742 0.01 1 345 40 40 VAL HA H 5.021 0.01 1 346 40 40 VAL HB H 1.600 0.01 1 347 40 40 VAL HG1 H 0.630 0.01 2 348 40 40 VAL HG2 H 0.789 0.01 2 349 40 40 VAL CA C 60.971 0.1 1 350 40 40 VAL CB C 34.983 0.1 1 351 40 40 VAL CG1 C 20.395 0.1 2 352 40 40 VAL CG2 C 21.709 0.1 2 353 40 40 VAL N N 129.429 0.1 1 354 41 41 ILE H H 9.807 0.01 1 355 41 41 ILE HA H 5.010 0.01 1 356 41 41 ILE HB H 1.606 0.01 1 357 41 41 ILE HD1 H 0.778 0.01 1 358 41 41 ILE HG12 H 1.143 0.01 2 359 41 41 ILE HG13 H 1.462 0.01 2 360 41 41 ILE HG2 H 0.752 0.01 1 361 41 41 ILE CA C 61.061 0.1 1 362 41 41 ILE CB C 40.521 0.1 1 363 41 41 ILE CD1 C 14.860 0.1 1 364 41 41 ILE CG1 C 27.963 0.1 1 365 41 41 ILE CG2 C 18.166 0.1 1 366 41 41 ILE N N 128.862 0.1 1 367 42 42 ILE H H 8.356 0.01 1 368 42 42 ILE HA H 5.217 0.01 1 369 42 42 ILE HB H 2.480 0.01 1 370 42 42 ILE HD1 H 0.691 0.01 1 371 42 42 ILE HG12 H 0.990 0.01 2 372 42 42 ILE HG13 H 0.990 0.01 2 373 42 42 ILE HG2 H 0.705 0.01 1 374 42 42 ILE CA C 60.589 0.1 1 375 42 42 ILE CB C 38.264 0.1 1 376 42 42 ILE CD1 C 12.415 0.1 1 377 42 42 ILE CG1 C 28.829 0.1 1 378 42 42 ILE CG2 C 15.519 0.1 1 379 42 42 ILE N N 130.831 0.1 1 380 43 43 SER H H 9.251 0.01 1 381 43 43 SER HA H 4.693 0.01 1 382 43 43 SER HB2 H 3.710 0.01 2 383 43 43 SER HB3 H 3.553 0.01 2 384 43 43 SER CA C 57.008 0.1 1 385 43 43 SER CB C 66.111 0.1 1 386 43 43 SER N N 122.698 0.1 1 387 44 44 GLN H H 8.481 0.01 1 388 44 44 GLN HA H 4.859 0.01 1 389 44 44 GLN HB2 H 1.904 0.01 2 390 44 44 GLN HB3 H 1.761 0.01 2 391 44 44 GLN HE21 H 6.728 0.01 2 392 44 44 GLN HE22 H 7.327 0.01 2 393 44 44 GLN HG2 H 2.010 0.01 2 394 44 44 GLN HG3 H 2.180 0.01 2 395 44 44 GLN CA C 54.905 0.1 1 396 44 44 GLN CB C 31.906 0.1 1 397 44 44 GLN CG C 35.034 0.1 1 398 44 44 GLN N N 118.697 0.1 1 399 44 44 GLN NE2 N 111.136 0.1 1 400 45 45 GLU H H 8.512 0.01 1 401 45 45 GLU HA H 4.395 0.01 1 402 45 45 GLU HB2 H 1.527 0.01 2 403 45 45 GLU HB3 H 1.692 0.01 2 404 45 45 GLU HG2 H 1.928 0.01 2 405 45 45 GLU HG3 H 1.928 0.01 2 406 45 45 GLU CA C 54.613 0.1 1 407 45 45 GLU CB C 30.707 0.1 1 408 45 45 GLU CG C 35.597 0.1 1 409 45 45 GLU N N 126.401 0.1 1 410 46 46 GLY H H 8.963 0.01 1 411 46 46 GLY HA2 H 3.520 0.01 2 412 46 46 GLY HA3 H 3.845 0.01 2 413 46 46 GLY CA C 47.342 0.1 1 414 46 46 GLY N N 117.830 0.1 1 415 47 47 ASP H H 8.735 0.01 1 416 47 47 ASP HA H 4.500 0.01 1 417 47 47 ASP HB2 H 2.640 0.01 2 418 47 47 ASP HB3 H 2.626 0.01 2 419 47 47 ASP CA C 54.313 0.1 1 420 47 47 ASP CB C 40.632 0.1 1 421 47 47 ASP N N 127.375 0.1 1 422 48 48 LYS H H 7.779 0.01 1 423 48 48 LYS HA H 4.449 0.01 1 424 48 48 LYS HB2 H 1.570 0.01 2 425 48 48 LYS HB3 H 1.556 0.01 2 426 48 48 LYS HD2 H 1.310 0.01 2 427 48 48 LYS HD3 H 1.224 0.01 2 428 48 48 LYS HE2 H 2.739 0.01 2 429 48 48 LYS HE3 H 2.739 0.01 2 430 48 48 LYS HG2 H 1.344 0.01 2 431 48 48 LYS HG3 H 1.003 0.01 2 432 48 48 LYS CA C 54.568 0.1 1 433 48 48 LYS CB C 34.397 0.1 1 434 48 48 LYS CD C 28.936 0.1 1 435 48 48 LYS CE C 41.969 0.1 1 436 48 48 LYS CG C 25.047 0.1 1 437 48 48 LYS N N 119.248 0.1 1 438 49 49 VAL H H 8.562 0.01 1 439 49 49 VAL HA H 4.100 0.01 1 440 49 49 VAL HB H 0.757 0.01 1 441 49 49 VAL HG1 H 0.444 0.01 2 442 49 49 VAL HG2 H 0.586 0.01 2 443 49 49 VAL CA C 61.095 0.1 1 444 49 49 VAL CB C 32.108 0.1 1 445 49 49 VAL CG1 C 21.493 0.1 2 446 49 49 VAL CG2 C 21.911 0.1 2 447 49 49 VAL N N 125.728 0.1 1 448 50 50 VAL H H 8.564 0.01 1 449 50 50 VAL HA H 4.579 0.01 1 450 50 50 VAL HB H 1.744 0.01 1 451 50 50 VAL HG1 H 0.624 0.01 2 452 50 50 VAL HG2 H 0.492 0.01 2 453 50 50 VAL CA C 60.219 0.1 1 454 50 50 VAL CB C 33.883 0.1 1 455 50 50 VAL CG1 C 20.748 0.1 2 456 50 50 VAL CG2 C 20.609 0.1 2 457 50 50 VAL N N 125.745 0.1 1 458 51 51 ILE H H 8.650 0.01 1 459 51 51 ILE HA H 4.773 0.01 1 460 51 51 ILE HB H 1.719 0.01 1 461 51 51 ILE HD1 H 0.715 0.01 1 462 51 51 ILE HG12 H 0.958 0.01 2 463 51 51 ILE HG13 H 0.942 0.01 2 464 51 51 ILE HG2 H 0.541 0.01 1 465 51 51 ILE CA C 61.538 0.1 1 466 51 51 ILE CB C 39.378 0.1 1 467 51 51 ILE CD1 C 12.351 0.1 1 468 51 51 ILE CG1 C 26.819 0.1 1 469 51 51 ILE CG2 C 16.050 0.1 1 470 51 51 ILE N N 123.328 0.1 1 471 52 52 ARG H H 9.458 0.01 1 472 52 52 ARG HA H 5.078 0.01 1 473 52 52 ARG HB2 H 1.743 0.01 2 474 52 52 ARG HB3 H 1.631 0.01 2 475 52 52 ARG HD2 H 3.038 0.01 2 476 52 52 ARG HD3 H 3.050 0.01 2 477 52 52 ARG HG2 H 1.652 0.01 2 478 52 52 ARG HG3 H 1.417 0.01 2 479 52 52 ARG CA C 55.002 0.1 1 480 52 52 ARG CB C 32.670 0.1 1 481 52 52 ARG CD C 43.628 0.1 1 482 52 52 ARG CG C 28.567 0.1 1 483 52 52 ARG N N 133.106 0.1 1 484 53 53 THR H H 8.996 0.01 1 485 53 53 THR HA H 5.000 0.01 1 486 53 53 THR HB H 4.258 0.01 1 487 53 53 THR HG2 H 1.017 0.01 1 488 53 53 THR CA C 62.297 0.1 1 489 53 53 THR CB C 68.880 0.1 1 490 53 53 THR CG2 C 21.158 0.1 1 491 53 53 THR N N 122.235 0.1 1 492 54 54 LEU H H 9.720 0.01 1 493 54 54 LEU HA H 5.322 0.01 1 494 54 54 LEU HB2 H 1.456 0.01 2 495 54 54 LEU HB3 H 1.671 0.01 2 496 54 54 LEU HD1 H 0.767 0.01 2 497 54 54 LEU HD2 H 0.710 0.01 2 498 54 54 LEU HG H 1.463 0.01 1 499 54 54 LEU CA C 53.482 0.1 1 500 54 54 LEU CB C 43.514 0.1 1 501 54 54 LEU CD1 C 23.845 0.1 2 502 54 54 LEU CD2 C 25.568 0.1 2 503 54 54 LEU CG C 27.439 0.1 1 504 54 54 LEU N N 127.728 0.1 1 505 55 55 SER H H 8.547 0.01 1 506 55 55 SER HA H 4.860 0.01 1 507 55 55 SER HB2 H 3.877 0.01 2 508 55 55 SER HB3 H 4.054 0.01 2 509 55 55 SER CA C 58.234 0.1 1 510 55 55 SER CB C 68.001 0.1 1 511 55 55 SER N N 116.062 0.1 1 512 56 56 THR H H 8.327 0.01 1 513 56 56 THR HA H 3.985 0.01 1 514 56 56 THR HB H 4.202 0.01 1 515 56 56 THR HG2 H 1.171 0.01 1 516 56 56 THR CA C 63.945 0.1 1 517 56 56 THR CB C 68.730 0.1 1 518 56 56 THR CG2 C 22.311 0.1 1 519 56 56 THR N N 111.277 0.1 1 520 57 57 PHE H H 7.631 0.01 1 521 57 57 PHE HA H 4.555 0.01 1 522 57 57 PHE HB2 H 2.663 0.01 2 523 57 57 PHE HB3 H 3.081 0.01 2 524 57 57 PHE CA C 58.257 0.1 1 525 57 57 PHE CB C 40.662 0.1 1 526 57 57 PHE N N 121.127 0.1 1 527 58 58 LYS H H 6.916 0.01 1 528 58 58 LYS HA H 4.119 0.01 1 529 58 58 LYS HB2 H 1.246 0.01 2 530 58 58 LYS HB3 H 1.340 0.01 2 531 58 58 LYS HD2 H 1.444 0.01 2 532 58 58 LYS HD3 H 1.296 0.01 2 533 58 58 LYS HE2 H 2.639 0.01 2 534 58 58 LYS HE3 H 2.642 0.01 2 535 58 58 LYS HG2 H 0.950 0.01 2 536 58 58 LYS HG3 H 0.795 0.01 2 537 58 58 LYS CA C 56.086 0.1 1 538 58 58 LYS CB C 36.272 0.1 1 539 58 58 LYS CD C 29.216 0.1 1 540 58 58 LYS CE C 41.589 0.1 1 541 58 58 LYS CG C 24.302 0.1 1 542 58 58 LYS N N 116.547 0.1 1 543 59 59 ASN H H 8.490 0.01 1 544 59 59 ASN HA H 5.870 0.01 1 545 59 59 ASN HB2 H 2.590 0.01 2 546 59 59 ASN HB3 H 2.792 0.01 2 547 59 59 ASN HD21 H 7.377 0.01 2 548 59 59 ASN HD22 H 6.432 0.01 2 549 59 59 ASN CA C 51.411 0.1 1 550 59 59 ASN CB C 40.294 0.1 1 551 59 59 ASN N N 122.860 0.1 1 552 59 59 ASN ND2 N 111.649 0.1 1 553 60 60 THR H H 9.424 0.01 1 554 60 60 THR HA H 4.770 0.01 1 555 60 60 THR HB H 4.327 0.01 1 556 60 60 THR HG2 H 0.945 0.01 1 557 60 60 THR CA C 60.162 0.1 1 558 60 60 THR CB C 72.694 0.1 1 559 60 60 THR CG2 C 20.577 0.1 1 560 60 60 THR N N 112.989 0.1 1 561 61 61 GLU H H 8.664 0.01 1 562 61 61 GLU HA H 5.052 0.01 1 563 61 61 GLU HB2 H 1.964 0.01 2 564 61 61 GLU HB3 H 1.826 0.01 2 565 61 61 GLU HG2 H 1.817 0.01 2 566 61 61 GLU HG3 H 1.826 0.01 2 567 61 61 GLU CA C 56.359 0.1 1 568 61 61 GLU CB C 33.371 0.1 1 569 61 61 GLU CG C 37.037 0.1 1 570 61 61 GLU N N 123.313 0.1 1 571 62 62 ILE H H 8.362 0.01 1 572 62 62 ILE HA H 4.797 0.01 1 573 62 62 ILE HB H 1.794 0.01 1 574 62 62 ILE HD1 H 0.857 0.01 1 575 62 62 ILE HG12 H 1.562 0.01 2 576 62 62 ILE HG13 H 1.563 0.01 2 577 62 62 ILE HG2 H 1.187 0.01 1 578 62 62 ILE CA C 59.830 0.1 1 579 62 62 ILE CB C 42.479 0.1 1 580 62 62 ILE CD1 C 14.216 0.1 1 581 62 62 ILE CG1 C 25.612 0.1 1 582 62 62 ILE CG2 C 19.425 0.1 1 583 62 62 ILE N N 119.883 0.1 1 584 63 63 SER H H 8.100 0.01 1 585 63 63 SER HA H 5.186 0.01 1 586 63 63 SER HB2 H 3.378 0.01 2 587 63 63 SER HB3 H 3.490 0.01 2 588 63 63 SER CA C 56.148 0.1 1 589 63 63 SER CB C 65.251 0.1 1 590 63 63 SER N N 116.118 0.1 1 591 64 64 PHE H H 8.077 0.01 1 592 64 64 PHE HA H 4.614 0.01 1 593 64 64 PHE HB2 H 2.694 0.01 2 594 64 64 PHE HB3 H 1.614 0.01 2 595 64 64 PHE CA C 55.648 0.1 1 596 64 64 PHE CB C 40.293 0.1 1 597 64 64 PHE N N 120.258 0.1 1 598 65 65 GLN H H 8.846 0.01 1 599 65 65 GLN HA H 4.720 0.01 1 600 65 65 GLN HB2 H 1.798 0.01 2 601 65 65 GLN HB3 H 1.988 0.01 2 602 65 65 GLN HE21 H 7.535 0.01 2 603 65 65 GLN HE22 H 6.771 0.01 2 604 65 65 GLN HG2 H 2.277 0.01 2 605 65 65 GLN HG3 H 2.244 0.01 2 606 65 65 GLN CA C 54.018 0.1 1 607 65 65 GLN CB C 30.611 0.1 1 608 65 65 GLN CG C 34.652 0.1 1 609 65 65 GLN N N 118.259 0.1 1 610 65 65 GLN NE2 N 112.325 0.1 1 611 66 66 LEU H H 9.207 0.01 1 612 66 66 LEU HA H 4.388 0.01 1 613 66 66 LEU HB2 H 1.562 0.01 2 614 66 66 LEU HB3 H 1.765 0.01 2 615 66 66 LEU HD1 H 0.875 0.01 2 616 66 66 LEU HD2 H 0.727 0.01 2 617 66 66 LEU HG H 1.742 0.01 1 618 66 66 LEU CA C 56.631 0.1 1 619 66 66 LEU CB C 40.799 0.1 1 620 66 66 LEU CD1 C 26.199 0.1 2 621 66 66 LEU CD2 C 23.650 0.1 2 622 66 66 LEU CG C 27.251 0.1 1 623 66 66 LEU N N 127.261 0.1 1 624 67 67 GLY H H 9.513 0.01 1 625 67 67 GLY HA2 H 3.386 0.01 2 626 67 67 GLY HA3 H 4.176 0.01 2 627 67 67 GLY CA C 45.786 0.1 1 628 67 67 GLY N N 110.739 0.1 1 629 68 68 GLU H H 7.740 0.01 1 630 68 68 GLU HA H 4.667 0.01 1 631 68 68 GLU HB2 H 1.930 0.01 2 632 68 68 GLU HB3 H 2.179 0.01 2 633 68 68 GLU HG2 H 2.223 0.01 2 634 68 68 GLU HG3 H 2.180 0.01 2 635 68 68 GLU CA C 54.750 0.1 1 636 68 68 GLU CB C 31.357 0.1 1 637 68 68 GLU CG C 35.681 0.1 1 638 68 68 GLU N N 121.182 0.1 1 639 69 69 GLU H H 8.960 0.01 1 640 69 69 GLU HA H 4.946 0.01 1 641 69 69 GLU HB2 H 1.890 0.01 2 642 69 69 GLU HB3 H 1.890 0.01 2 643 69 69 GLU HG2 H 2.021 0.01 2 644 69 69 GLU HG3 H 2.022 0.01 2 645 69 69 GLU CA C 57.008 0.1 1 646 69 69 GLU CB C 31.222 0.1 1 647 69 69 GLU CG C 37.760 0.1 1 648 69 69 GLU N N 131.312 0.1 1 649 70 70 PHE H H 9.431 0.01 1 650 70 70 PHE HA H 5.130 0.01 1 651 70 70 PHE HB2 H 3.190 0.01 2 652 70 70 PHE HB3 H 3.230 0.01 2 653 70 70 PHE CA C 55.464 0.1 1 654 70 70 PHE CB C 42.070 0.1 1 655 70 70 PHE N N 124.141 0.1 1 656 71 71 ASP H H 8.498 0.01 1 657 71 71 ASP HA H 5.122 0.01 1 658 71 71 ASP HB2 H 2.560 0.01 2 659 71 71 ASP HB3 H 2.645 0.01 2 660 71 71 ASP CA C 54.276 0.1 1 661 71 71 ASP CB C 41.755 0.1 1 662 71 71 ASP N N 120.586 0.1 1 663 72 72 GLU H H 8.697 0.01 1 664 72 72 GLU HA H 4.700 0.01 1 665 72 72 GLU HB2 H 1.716 0.01 2 666 72 72 GLU HB3 H 1.740 0.01 2 667 72 72 GLU CA C 54.928 0.1 1 668 72 72 GLU CB C 33.827 0.1 1 669 72 72 GLU CG C 36.206 0.1 1 670 72 72 GLU N N 126.606 0.1 1 671 73 73 THR H H 8.997 0.01 1 672 73 73 THR HA H 5.337 0.01 1 673 73 73 THR HB H 3.940 0.01 1 674 73 73 THR HG2 H 1.131 0.01 1 675 73 73 THR CA C 61.659 0.1 1 676 73 73 THR CB C 69.439 0.1 1 677 73 73 THR CG2 C 21.685 0.1 1 678 73 73 THR N N 126.545 0.1 1 679 74 74 THR H H 8.867 0.01 1 680 74 74 THR HA H 4.336 0.01 1 681 74 74 THR HB H 4.252 0.01 1 682 74 74 THR HG1 H 5.960 0.01 1 683 74 74 THR HG2 H 0.898 0.01 1 684 74 74 THR CA C 61.968 0.1 1 685 74 74 THR CB C 71.116 0.1 1 686 74 74 THR CG2 C 23.858 0.1 1 687 74 74 THR N N 119.394 0.1 1 688 75 75 ALA H H 9.512 0.01 1 689 75 75 ALA HA H 3.817 0.01 1 690 75 75 ALA HB H 1.340 0.01 1 691 75 75 ALA CA C 54.767 0.1 1 692 75 75 ALA CB C 18.672 0.1 1 693 75 75 ALA N N 123.170 0.1 1 694 76 76 ASP H H 9.052 0.01 1 695 76 76 ASP HA H 4.480 0.01 1 696 76 76 ASP HB2 H 2.731 0.01 2 697 76 76 ASP HB3 H 2.002 0.01 2 698 76 76 ASP CA C 52.716 0.1 1 699 76 76 ASP CB C 38.636 0.1 1 700 76 76 ASP N N 111.021 0.1 1 701 77 77 ASP H H 7.956 0.01 1 702 77 77 ASP HA H 3.963 0.01 1 703 77 77 ASP HB2 H 2.616 0.01 2 704 77 77 ASP HB3 H 2.743 0.01 2 705 77 77 ASP CA C 56.220 0.1 1 706 77 77 ASP CB C 38.528 0.1 1 707 77 77 ASP N N 115.710 0.1 1 708 78 78 ARG H H 7.384 0.01 1 709 78 78 ARG HA H 4.118 0.01 1 710 78 78 ARG HB2 H 1.140 0.01 2 711 78 78 ARG HB3 H 0.496 0.01 2 712 78 78 ARG HD2 H 2.340 0.01 2 713 78 78 ARG HD3 H 0.230 0.01 2 714 78 78 ARG HE H 9.450 0.01 1 715 78 78 ARG HG2 H 0.950 0.01 2 716 78 78 ARG HG3 H 0.730 0.01 2 717 78 78 ARG CA C 55.759 0.1 1 718 78 78 ARG CB C 30.880 0.1 1 719 78 78 ARG CD C 42.563 0.1 1 720 78 78 ARG N N 117.194 0.1 1 721 79 79 ASN H H 8.683 0.01 1 722 79 79 ASN HA H 5.140 0.01 1 723 79 79 ASN HB2 H 2.690 0.01 2 724 79 79 ASN HB3 H 2.673 0.01 2 725 79 79 ASN HD21 H 7.524 0.01 2 726 79 79 ASN HD22 H 6.932 0.01 2 727 79 79 ASN CA C 53.050 0.1 1 728 79 79 ASN CB C 39.019 0.1 1 729 79 79 ASN N N 122.623 0.1 1 730 79 79 ASN ND2 N 114.058 0.1 1 731 80 80 CYS H H 9.180 0.01 1 732 80 80 CYS HA H 5.159 0.01 1 733 80 80 CYS HB2 H 2.733 0.01 2 734 80 80 CYS HB3 H 2.530 0.01 2 735 80 80 CYS CA C 57.417 0.1 1 736 80 80 CYS CB C 31.652 0.1 1 737 80 80 CYS N N 121.440 0.1 1 738 81 81 LYS H H 9.042 0.01 1 739 81 81 LYS HA H 4.830 0.01 1 740 81 81 LYS HB2 H 1.773 0.01 2 741 81 81 LYS HB3 H 1.518 0.01 2 742 81 81 LYS HD2 H 1.530 0.01 2 743 81 81 LYS HD3 H 1.506 0.01 2 744 81 81 LYS HE2 H 2.872 0.01 2 745 81 81 LYS HE3 H 2.813 0.01 2 746 81 81 LYS HG2 H 1.409 0.01 2 747 81 81 LYS HG3 H 1.323 0.01 2 748 81 81 LYS CA C 54.680 0.1 1 749 81 81 LYS CB C 33.438 0.1 1 750 81 81 LYS CD C 28.315 0.1 1 751 81 81 LYS CE C 42.073 0.1 1 752 81 81 LYS CG C 24.080 0.1 1 753 81 81 LYS N N 123.971 0.1 1 754 82 82 SER H H 9.041 0.01 1 755 82 82 SER HA H 5.703 0.01 1 756 82 82 SER HB2 H 2.035 0.01 2 757 82 82 SER HB3 H 3.104 0.01 2 758 82 82 SER CA C 56.721 0.1 1 759 82 82 SER CB C 67.644 0.1 1 760 82 82 SER N N 125.011 0.1 1 761 83 83 VAL H H 8.208 0.01 1 762 83 83 VAL HA H 4.070 0.01 1 763 83 83 VAL HB H 1.776 0.01 1 764 83 83 VAL HG1 H 0.703 0.01 2 765 83 83 VAL HG2 H 0.725 0.01 2 766 83 83 VAL CA C 61.692 0.1 1 767 83 83 VAL CB C 35.520 0.1 1 768 83 83 VAL CG1 C 20.283 0.1 2 769 83 83 VAL CG2 C 21.207 0.1 2 770 83 83 VAL N N 118.000 0.1 1 771 84 84 VAL H H 9.758 0.01 1 772 84 84 VAL HA H 5.183 0.01 1 773 84 84 VAL HB H 0.940 0.01 1 774 84 84 VAL HG1 H -0.470 0.01 2 775 84 84 VAL HG2 H 0.381 0.01 2 776 84 84 VAL CA C 59.880 0.1 1 777 84 84 VAL CB C 32.250 0.1 1 778 84 84 VAL CG1 C 18.845 0.1 2 779 84 84 VAL CG2 C 21.773 0.1 2 780 84 84 VAL N N 131.462 0.1 1 781 85 85 SER H H 9.142 0.01 1 782 85 85 SER HA H 4.669 0.01 1 783 85 85 SER HB2 H 3.620 0.01 2 784 85 85 SER HB3 H 3.606 0.01 2 785 85 85 SER CA C 56.681 0.1 1 786 85 85 SER CB C 66.086 0.1 1 787 85 85 SER N N 121.284 0.1 1 788 86 86 LEU H H 8.774 0.01 1 789 86 86 LEU HA H 5.001 0.01 1 790 86 86 LEU HB2 H 1.340 0.01 2 791 86 86 LEU HB3 H 1.667 0.01 2 792 86 86 LEU HD1 H 0.742 0.01 2 793 86 86 LEU HD2 H 0.749 0.01 2 794 86 86 LEU HG H 1.440 0.01 1 795 86 86 LEU CA C 54.097 0.1 1 796 86 86 LEU CB C 43.678 0.1 1 797 86 86 LEU CD1 C 25.102 0.1 2 798 86 86 LEU CD2 C 25.083 0.1 2 799 86 86 LEU CG C 27.310 0.1 1 800 86 86 LEU N N 123.490 0.1 1 801 87 87 ASP H H 9.008 0.01 1 802 87 87 ASP HA H 4.730 0.01 1 803 87 87 ASP HB2 H 2.328 0.01 2 804 87 87 ASP HB3 H 2.593 0.01 2 805 87 87 ASP CA C 52.569 0.1 1 806 87 87 ASP CB C 41.605 0.1 1 807 87 87 ASP N N 127.408 0.1 1 808 88 88 GLY H H 8.777 0.01 1 809 88 88 GLY HA2 H 3.516 0.01 2 810 88 88 GLY HA3 H 3.957 0.01 2 811 88 88 GLY CA C 47.671 0.1 1 812 88 88 GLY N N 115.591 0.1 1 813 89 89 ASP H H 8.669 0.01 1 814 89 89 ASP HA H 4.710 0.01 1 815 89 89 ASP HB2 H 2.753 0.01 2 816 89 89 ASP HB3 H 2.743 0.01 2 817 89 89 ASP CA C 53.868 0.1 1 818 89 89 ASP CB C 41.038 0.1 1 819 89 89 ASP N N 126.970 0.1 1 820 90 90 LYS H H 7.902 0.01 1 821 90 90 LYS HA H 4.890 0.01 1 822 90 90 LYS HB2 H 1.910 0.01 2 823 90 90 LYS HB3 H 1.556 0.01 2 824 90 90 LYS HD2 H 1.499 0.01 2 825 90 90 LYS HD3 H 1.493 0.01 2 826 90 90 LYS HE2 H 2.855 0.01 2 827 90 90 LYS HE3 H 2.859 0.01 2 828 90 90 LYS HG2 H 1.380 0.01 2 829 90 90 LYS HG3 H 1.186 0.01 2 830 90 90 LYS CA C 55.345 0.1 1 831 90 90 LYS CB C 34.251 0.1 1 832 90 90 LYS CD C 29.306 0.1 1 833 90 90 LYS CE C 41.864 0.1 1 834 90 90 LYS CG C 25.087 0.1 1 835 90 90 LYS N N 119.769 0.1 1 836 91 91 LEU H H 8.480 0.01 1 837 91 91 LEU HA H 4.800 0.01 1 838 91 91 LEU HB2 H 0.998 0.01 2 839 91 91 LEU HB3 H 0.570 0.01 2 840 91 91 LEU HD1 H 0.299 0.01 2 841 91 91 LEU HD2 H 0.179 0.01 2 842 91 91 LEU HG H 0.829 0.01 1 843 91 91 LEU CA C 53.715 0.1 1 844 91 91 LEU CB C 44.093 0.1 1 845 91 91 LEU CD1 C 24.461 0.1 2 846 91 91 LEU CD2 C 24.311 0.1 2 847 91 91 LEU CG C 26.624 0.1 1 848 91 91 LEU N N 123.584 0.1 1 849 92 92 VAL H H 9.618 0.01 1 850 92 92 VAL HA H 4.516 0.01 1 851 92 92 VAL HB H 1.977 0.01 1 852 92 92 VAL HG1 H 0.783 0.01 2 853 92 92 VAL HG2 H 0.882 0.01 2 854 92 92 VAL CA C 62.879 0.1 1 855 92 92 VAL CB C 33.546 0.1 1 856 92 92 VAL CG1 C 20.643 0.1 2 857 92 92 VAL CG2 C 21.408 0.1 2 858 92 92 VAL N N 131.567 0.1 1 859 93 93 HIS H H 9.123 0.01 1 860 93 93 HIS HA H 5.402 0.01 1 861 93 93 HIS HB2 H 2.718 0.01 2 862 93 93 HIS HB3 H 3.394 0.01 2 863 93 93 HIS CA C 52.554 0.1 1 864 93 93 HIS CB C 36.906 0.1 1 865 93 93 HIS N N 131.773 0.1 1 866 94 94 ILE H H 9.259 0.01 1 867 94 94 ILE HA H 4.470 0.01 1 868 94 94 ILE HB H 1.641 0.01 1 869 94 94 ILE HD1 H 0.697 0.01 1 870 94 94 ILE HG12 H 1.427 0.01 2 871 94 94 ILE HG13 H 0.926 0.01 2 872 94 94 ILE HG2 H 0.820 0.01 1 873 94 94 ILE CA C 60.589 0.1 1 874 94 94 ILE CB C 40.352 0.1 1 875 94 94 ILE CD1 C 13.445 0.1 1 876 94 94 ILE CG1 C 28.198 0.1 1 877 94 94 ILE CG2 C 17.696 0.1 1 878 94 94 ILE N N 127.274 0.1 1 879 95 95 GLN H H 8.514 0.01 1 880 95 95 GLN HA H 4.939 0.01 1 881 95 95 GLN HB2 H 1.690 0.01 2 882 95 95 GLN HB3 H 1.772 0.01 2 883 95 95 GLN HE21 H 6.915 0.01 2 884 95 95 GLN HE22 H 6.247 0.01 2 885 95 95 GLN HG2 H 2.025 0.01 2 886 95 95 GLN HG3 H 2.025 0.01 2 887 95 95 GLN CA C 54.589 0.1 1 888 95 95 GLN CB C 32.714 0.1 1 889 95 95 GLN CG C 33.555 0.1 1 890 95 95 GLN N N 126.890 0.1 1 891 95 95 GLN NE2 N 113.501 0.1 1 892 96 96 LYS H H 8.698 0.01 1 893 96 96 LYS HA H 5.530 0.01 1 894 96 96 LYS HB2 H 1.880 0.01 2 895 96 96 LYS HB3 H 1.852 0.01 2 896 96 96 LYS HD2 H 1.555 0.01 2 897 96 96 LYS HD3 H 1.503 0.01 2 898 96 96 LYS HE2 H 2.724 0.01 2 899 96 96 LYS HE3 H 2.724 0.01 2 900 96 96 LYS HG2 H 1.310 0.01 2 901 96 96 LYS HG3 H 1.390 0.01 2 902 96 96 LYS CA C 55.676 0.1 1 903 96 96 LYS CB C 35.231 0.1 1 904 96 96 LYS CD C 29.469 0.1 1 905 96 96 LYS CE C 42.150 0.1 1 906 96 96 LYS CG C 25.858 0.1 1 907 96 96 LYS N N 121.874 0.1 1 908 97 97 TRP H H 8.341 0.01 1 909 97 97 TRP HA H 4.820 0.01 1 910 97 97 TRP HB2 H 3.042 0.01 2 911 97 97 TRP HB3 H 3.684 0.01 2 912 97 97 TRP HE1 H 10.152 0.01 1 913 97 97 TRP CA C 57.441 0.1 1 914 97 97 TRP CB C 33.019 0.1 1 915 97 97 TRP N N 128.604 0.1 1 916 97 97 TRP NE1 N 129.881 0.1 1 917 98 98 ASP H H 9.202 0.01 1 918 98 98 ASP HA H 4.150 0.01 1 919 98 98 ASP HB2 H 2.222 0.01 2 920 98 98 ASP HB3 H 2.646 0.01 2 921 98 98 ASP CA C 55.357 0.1 1 922 98 98 ASP CB C 41.269 0.1 1 923 98 98 ASP N N 122.740 0.1 1 924 99 99 GLY H H 8.373 0.01 1 925 99 99 GLY HA2 H 3.460 0.01 2 926 99 99 GLY HA3 H 3.850 0.01 2 927 99 99 GLY CA C 46.028 0.1 1 928 99 99 GLY N N 104.566 0.1 1 929 100 100 LYS H H 8.394 0.01 1 930 100 100 LYS HA H 4.244 0.01 1 931 100 100 LYS HB2 H 0.085 0.01 2 932 100 100 LYS HB3 H 0.953 0.01 2 933 100 100 LYS HD2 H 1.540 0.01 2 934 100 100 LYS HD3 H 1.540 0.01 2 935 100 100 LYS HE2 H 2.757 0.01 2 936 100 100 LYS HE3 H 2.673 0.01 2 937 100 100 LYS HG2 H 1.161 0.01 2 938 100 100 LYS HG3 H 0.814 0.01 2 939 100 100 LYS CA C 54.734 0.1 1 940 100 100 LYS CB C 34.474 0.1 1 941 100 100 LYS CD C 29.360 0.1 1 942 100 100 LYS CE C 42.282 0.1 1 943 100 100 LYS CG C 24.654 0.1 1 944 100 100 LYS N N 123.532 0.1 1 945 101 101 GLU H H 8.098 0.01 1 946 101 101 GLU HA H 5.633 0.01 1 947 101 101 GLU HB2 H 1.773 0.01 2 948 101 101 GLU HB3 H 1.768 0.01 2 949 101 101 GLU HG2 H 1.970 0.01 2 950 101 101 GLU HG3 H 1.964 0.01 2 951 101 101 GLU CA C 55.318 0.1 1 952 101 101 GLU CB C 34.164 0.1 1 953 101 101 GLU CG C 36.404 0.1 1 954 101 101 GLU N N 119.223 0.1 1 955 102 102 THR H H 9.003 0.01 1 956 102 102 THR HA H 5.169 0.01 1 957 102 102 THR HB H 4.384 0.01 1 958 102 102 THR HG2 H 1.056 0.01 1 959 102 102 THR CA C 59.646 0.1 1 960 102 102 THR CB C 72.261 0.1 1 961 102 102 THR CG2 C 20.233 0.1 1 962 102 102 THR N N 118.204 0.1 1 963 103 103 ASN H H 7.988 0.01 1 964 103 103 ASN HA H 5.512 0.01 1 965 103 103 ASN HB2 H 2.300 0.01 2 966 103 103 ASN HB3 H 2.553 0.01 2 967 103 103 ASN HD21 H 7.779 0.01 2 968 103 103 ASN HD22 H 6.931 0.01 2 969 103 103 ASN CA C 51.958 0.1 1 970 103 103 ASN CB C 43.742 0.1 1 971 103 103 ASN N N 120.680 0.1 1 972 103 103 ASN ND2 N 116.438 0.1 1 973 104 104 PHE H H 9.301 0.01 1 974 104 104 PHE HA H 5.830 0.01 1 975 104 104 PHE HB2 H 3.054 0.01 2 976 104 104 PHE HB3 H 2.804 0.01 2 977 104 104 PHE CA C 52.355 0.1 1 978 104 104 PHE CB C 41.342 0.1 1 979 104 104 PHE N N 119.919 0.1 1 980 105 105 VAL H H 9.334 0.01 1 981 105 105 VAL HA H 4.757 0.01 1 982 105 105 VAL HB H 1.964 0.01 1 983 105 105 VAL HG1 H 0.832 0.01 2 984 105 105 VAL HG2 H 0.986 0.01 2 985 105 105 VAL CA C 61.733 0.1 1 986 105 105 VAL CB C 34.328 0.1 1 987 105 105 VAL CG1 C 21.921 0.1 2 988 105 105 VAL CG2 C 21.594 0.1 2 989 105 105 VAL N N 127.934 0.1 1 990 106 106 ARG H H 9.220 0.01 1 991 106 106 ARG HA H 5.301 0.01 1 992 106 106 ARG HB2 H 1.408 0.01 2 993 106 106 ARG HB3 H 1.358 0.01 2 994 106 106 ARG HD2 H 1.539 0.01 2 995 106 106 ARG HD3 H 2.447 0.01 2 996 106 106 ARG HG2 H 1.166 0.01 2 997 106 106 ARG HG3 H 1.662 0.01 2 998 106 106 ARG CA C 54.659 0.1 1 999 106 106 ARG CB C 32.780 0.1 1 1000 106 106 ARG CD C 42.037 0.1 1 1001 106 106 ARG CG C 29.534 0.1 1 1002 106 106 ARG N N 127.827 0.1 1 1003 107 107 GLU H H 8.902 0.01 1 1004 107 107 GLU HA H 4.978 0.01 1 1005 107 107 GLU HB2 H 1.910 0.01 2 1006 107 107 GLU HB3 H 1.804 0.01 2 1007 107 107 GLU HG2 H 2.099 0.01 2 1008 107 107 GLU HG3 H 2.094 0.01 2 1009 107 107 GLU CA C 54.168 0.1 1 1010 107 107 GLU CB C 35.031 0.1 1 1011 107 107 GLU CG C 36.773 0.1 1 1012 107 107 GLU N N 121.655 0.1 1 1013 108 108 ILE H H 9.022 0.01 1 1014 108 108 ILE HA H 4.818 0.01 1 1015 108 108 ILE HB H 1.639 0.01 1 1016 108 108 ILE HD1 H 0.064 0.01 1 1017 108 108 ILE HG12 H 0.422 0.01 2 1018 108 108 ILE HG13 H 0.530 0.01 2 1019 108 108 ILE HG2 H 0.624 0.01 1 1020 108 108 ILE CA C 57.995 0.1 1 1021 108 108 ILE CB C 35.435 0.1 1 1022 108 108 ILE CD1 C 10.854 0.1 1 1023 108 108 ILE CG1 C 25.512 0.1 1 1024 108 108 ILE CG2 C 16.884 0.1 1 1025 108 108 ILE N N 124.524 0.1 1 1026 109 109 LYS H H 9.107 0.01 1 1027 109 109 LYS HA H 4.502 0.01 1 1028 109 109 LYS HB2 H 1.470 0.01 2 1029 109 109 LYS HB3 H 1.609 0.01 2 1030 109 109 LYS HD2 H 1.522 0.01 2 1031 109 109 LYS HD3 H 1.525 0.01 2 1032 109 109 LYS HE2 H 2.792 0.01 2 1033 109 109 LYS HE3 H 2.792 0.01 2 1034 109 109 LYS HG2 H 1.190 0.01 2 1035 109 109 LYS HG3 H 1.183 0.01 2 1036 109 109 LYS CA C 54.999 0.1 1 1037 109 109 LYS CB C 34.968 0.1 1 1038 109 109 LYS CD C 29.042 0.1 1 1039 109 109 LYS CE C 42.084 0.1 1 1040 109 109 LYS CG C 24.605 0.1 1 1041 109 109 LYS N N 129.183 0.1 1 1042 110 110 ASP H H 9.472 0.01 1 1043 110 110 ASP HA H 4.195 0.01 1 1044 110 110 ASP HB2 H 2.868 0.01 2 1045 110 110 ASP HB3 H 2.530 0.01 2 1046 110 110 ASP CA C 55.354 0.1 1 1047 110 110 ASP CB C 39.804 0.1 1 1048 110 110 ASP N N 128.211 0.1 1 1049 111 111 GLY H H 8.296 0.01 1 1050 111 111 GLY HA2 H 3.565 0.01 2 1051 111 111 GLY HA3 H 4.126 0.01 2 1052 111 111 GLY CA C 45.649 0.1 1 1053 111 111 GLY N N 103.525 0.1 1 1054 112 112 LYS H H 7.916 0.01 1 1055 112 112 LYS HA H 5.017 0.01 1 1056 112 112 LYS HB2 H 1.830 0.01 2 1057 112 112 LYS HB3 H 2.055 0.01 2 1058 112 112 LYS HD2 H 1.636 0.01 2 1059 112 112 LYS HD3 H 1.627 0.01 2 1060 112 112 LYS HE2 H 2.933 0.01 2 1061 112 112 LYS HE3 H 2.934 0.01 2 1062 112 112 LYS HG2 H 1.512 0.01 2 1063 112 112 LYS HG3 H 1.512 0.01 2 1064 112 112 LYS CA C 55.072 0.1 1 1065 112 112 LYS CB C 34.519 0.1 1 1066 112 112 LYS CD C 29.212 0.1 1 1067 112 112 LYS CE C 42.419 0.1 1 1068 112 112 LYS CG C 25.651 0.1 1 1069 112 112 LYS N N 121.975 0.1 1 1070 113 113 MET H H 8.154 0.01 1 1071 113 113 MET HA H 4.874 0.01 1 1072 113 113 MET HB3 H 1.042 0.01 2 1073 113 113 MET HG2 H 1.692 0.01 2 1074 113 113 MET HG3 H 1.698 0.01 2 1075 113 113 MET CA C 54.467 0.1 1 1076 113 113 MET CB C 33.357 0.1 1 1077 113 113 MET CG C 30.737 0.1 1 1078 113 113 MET N N 122.678 0.1 1 1079 114 114 VAL H H 9.198 0.01 1 1080 114 114 VAL HA H 4.449 0.01 1 1081 114 114 VAL HB H 1.718 0.01 1 1082 114 114 VAL HG1 H 0.648 0.01 2 1083 114 114 VAL HG2 H 0.504 0.01 2 1084 114 114 VAL CA C 61.154 0.1 1 1085 114 114 VAL CB C 33.590 0.1 1 1086 114 114 VAL CG1 C 21.030 0.1 2 1087 114 114 VAL N N 129.341 0.1 1 1088 115 115 MET H H 9.740 0.01 1 1089 115 115 MET HA H 5.693 0.01 1 1090 115 115 MET HB2 H 1.449 0.01 2 1091 115 115 MET HB3 H 2.162 0.01 2 1092 115 115 MET HE H 1.980 0.01 1 1093 115 115 MET HG2 H 2.010 0.01 2 1094 115 115 MET HG3 H 1.993 0.01 2 1095 115 115 MET CA C 53.176 0.1 1 1096 115 115 MET CB C 37.800 0.1 1 1097 115 115 MET CG C 32.073 0.1 1 1098 115 115 MET N N 130.821 0.1 1 1099 116 116 THR H H 9.343 0.01 1 1100 116 116 THR HA H 4.991 0.01 1 1101 116 116 THR HB H 3.842 0.01 1 1102 116 116 THR HG2 H 1.028 0.01 1 1103 116 116 THR CA C 62.514 0.1 1 1104 116 116 THR CB C 69.481 0.1 1 1105 116 116 THR CG2 C 21.566 0.1 1 1106 116 116 THR N N 125.612 0.1 1 1107 117 117 LEU H H 9.853 0.01 1 1108 117 117 LEU HA H 5.210 0.01 1 1109 117 117 LEU HB2 H 0.762 0.01 2 1110 117 117 LEU HB3 H 0.960 0.01 2 1111 117 117 LEU HD1 H 0.529 0.01 2 1112 117 117 LEU HD2 H 0.306 0.01 2 1113 117 117 LEU HG H 1.154 0.01 1 1114 117 117 LEU CA C 56.084 0.1 1 1115 117 117 LEU CB C 41.716 0.1 1 1116 117 117 LEU CD1 C 26.981 0.1 2 1117 117 117 LEU CG C 28.017 0.1 1 1118 117 117 LEU N N 133.290 0.1 1 1119 118 118 THR H H 8.795 0.01 1 1120 118 118 THR HA H 5.396 0.01 1 1121 118 118 THR HB H 3.935 0.01 1 1122 118 118 THR HG1 H 6.130 0.01 1 1123 118 118 THR HG2 H 1.111 0.01 1 1124 118 118 THR CA C 62.487 0.1 1 1125 118 118 THR CB C 71.111 0.1 1 1126 118 118 THR CG2 C 21.703 0.1 1 1127 118 118 THR N N 117.257 0.1 1 1128 119 119 PHE H H 9.720 0.01 1 1129 119 119 PHE HA H 5.107 0.01 1 1130 119 119 PHE HB2 H 3.109 0.01 2 1131 119 119 PHE HB3 H 2.784 0.01 2 1132 119 119 PHE CA C 57.803 0.1 1 1133 119 119 PHE CB C 41.214 0.1 1 1134 119 119 PHE N N 132.335 0.1 1 1135 120 120 GLY H H 9.100 0.01 1 1136 120 120 GLY HA2 H 3.331 0.01 2 1137 120 120 GLY HA3 H 3.576 0.01 2 1138 120 120 GLY CA C 47.291 0.1 1 1139 120 120 GLY N N 119.980 0.1 1 1140 121 121 ASP H H 8.609 0.01 1 1141 121 121 ASP HA H 4.531 0.01 1 1142 121 121 ASP HB2 H 2.640 0.01 2 1143 121 121 ASP HB3 H 2.640 0.01 2 1144 121 121 ASP CA C 53.914 0.1 1 1145 121 121 ASP CB C 40.846 0.1 1 1146 121 121 ASP N N 126.845 0.1 1 1147 122 122 VAL H H 8.459 0.01 1 1148 122 122 VAL HA H 3.997 0.01 1 1149 122 122 VAL HB H 2.400 0.01 1 1150 122 122 VAL HG1 H 0.867 0.01 2 1151 122 122 VAL HG2 H 0.968 0.01 2 1152 122 122 VAL CA C 63.738 0.1 1 1153 122 122 VAL CB C 32.279 0.1 1 1154 122 122 VAL CG1 C 21.725 0.1 2 1155 122 122 VAL N N 124.232 0.1 1 1156 123 123 VAL H H 8.343 0.01 1 1157 123 123 VAL HA H 5.309 0.01 1 1158 123 123 VAL HB H 1.761 0.01 1 1159 123 123 VAL HG1 H 0.719 0.01 2 1160 123 123 VAL HG2 H 0.828 0.01 2 1161 123 123 VAL CA C 60.471 0.1 1 1162 123 123 VAL CB C 35.098 0.1 1 1163 123 123 VAL CG1 C 21.463 0.1 2 1164 123 123 VAL N N 128.068 0.1 1 1165 124 124 ALA H H 9.681 0.01 1 1166 124 124 ALA HA H 5.180 0.01 1 1167 124 124 ALA HB H 1.342 0.01 1 1168 124 124 ALA CA C 50.016 0.1 1 1169 124 124 ALA CB C 22.627 0.1 1 1170 124 124 ALA N N 131.261 0.1 1 1171 125 125 VAL H H 8.543 0.01 1 1172 125 125 VAL HA H 5.051 0.01 1 1173 125 125 VAL HB H 1.740 0.01 1 1174 125 125 VAL HG1 H 0.626 0.01 2 1175 125 125 VAL HG2 H 0.774 0.01 2 1176 125 125 VAL CA C 61.233 0.1 1 1177 125 125 VAL CB C 35.735 0.1 1 1178 125 125 VAL CG1 C 21.896 0.1 2 1179 125 125 VAL N N 119.600 0.1 1 1180 126 126 ARG H H 9.540 0.01 1 1181 126 126 ARG HA H 4.732 0.01 1 1182 126 126 ARG HB2 H 1.301 0.01 2 1183 126 126 ARG HB3 H 1.636 0.01 2 1184 126 126 ARG HG2 H 1.080 0.01 2 1185 126 126 ARG HG3 H 1.680 0.01 2 1186 126 126 ARG CA C 54.025 0.1 1 1187 126 126 ARG CB C 35.197 0.1 1 1188 126 126 ARG CD C 41.969 0.1 1 1189 126 126 ARG CG C 28.589 0.1 1 1190 126 126 ARG N N 129.326 0.1 1 1191 127 127 HIS H H 8.633 0.01 1 1192 127 127 HIS HA H 5.251 0.01 1 1193 127 127 HIS HB2 H 2.763 0.01 2 1194 127 127 HIS HB3 H 2.870 0.01 2 1195 127 127 HIS CA C 55.621 0.1 1 1196 127 127 HIS CB C 34.123 0.1 1 1197 127 127 HIS N N 122.442 0.1 1 1198 128 128 TYR H H 9.442 0.01 1 1199 128 128 TYR HA H 5.412 0.01 1 1200 128 128 TYR HB2 H 2.753 0.01 2 1201 128 128 TYR HB3 H 3.014 0.01 2 1202 128 128 TYR CA C 56.435 0.1 1 1203 128 128 TYR CB C 42.933 0.1 1 1204 128 128 TYR N N 121.012 0.1 1 1205 129 129 GLU H H 9.155 0.01 1 1206 129 129 GLU HA H 5.380 0.01 1 1207 129 129 GLU HB2 H 1.980 0.01 2 1208 129 129 GLU HB3 H 2.082 0.01 2 1209 129 129 GLU HG2 H 2.314 0.01 2 1210 129 129 GLU HG3 H 2.314 0.01 2 1211 129 129 GLU CA C 53.857 0.1 1 1212 129 129 GLU CB C 33.801 0.1 1 1213 129 129 GLU CG C 36.750 0.1 1 1214 129 129 GLU N N 120.682 0.1 1 1215 130 130 LYS H H 9.201 0.01 1 1216 130 130 LYS HA H 4.027 0.01 1 1217 130 130 LYS HB2 H 1.366 0.01 2 1218 130 130 LYS HB3 H 1.389 0.01 2 1219 130 130 LYS HD2 H 1.111 0.01 2 1220 130 130 LYS HD3 H 1.240 0.01 2 1221 130 130 LYS HE2 H 2.424 0.01 2 1222 130 130 LYS HE3 H 2.641 0.01 2 1223 130 130 LYS HG2 H 0.324 0.01 2 1224 130 130 LYS HG3 H 0.757 0.01 2 1225 130 130 LYS CA C 57.570 0.1 1 1226 130 130 LYS CB C 32.726 0.1 1 1227 130 130 LYS CD C 29.368 0.1 1 1228 130 130 LYS CE C 42.282 0.1 1 1229 130 130 LYS CG C 25.537 0.1 1 1230 130 130 LYS N N 125.761 0.1 1 1231 131 131 ALA H H 8.466 0.01 1 1232 131 131 ALA HA H 4.041 0.01 1 1233 131 131 ALA HB H 1.117 0.01 1 1234 131 131 ALA CA C 53.164 0.1 1 1235 131 131 ALA CB C 20.780 0.1 1 1236 131 131 ALA N N 134.009 0.1 1 stop_ save_