data_16042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human brain-type fatty acid binding protein (hb-FABP ; _BMRB_accession_number 16042 _BMRB_flat_file_name bmr16042.str _Entry_type original _Submission_date 2008-11-25 _Accession_date 2008-11-25 _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" 767 "13C chemical shifts" 369 "15N chemical shifts" 143 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 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))' 16049 'human brain-type fatty acid binding protein (hb-FABP bound to linoleic acid (LNA))' 5320 '1H and 15N assignments' 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_ISSN 1874-2718 _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 hb-FABP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hb-FABP $hb-FABP 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 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 BMRB 16049 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_ #################### # 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' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '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 4.130 0.01 1 2 1 1 VAL HB H 2.200 0.01 1 3 1 1 VAL HG1 H 0.790 0.01 2 4 1 1 VAL HG2 H 0.890 0.01 2 5 1 1 VAL CA C 63.524 0.1 1 6 1 1 VAL CB C 31.954 0.1 1 7 1 1 VAL CG1 C 21.585 0.1 2 8 2 2 GLU H H 9.427 0.01 1 9 2 2 GLU HA H 4.100 0.01 1 10 2 2 GLU HB2 H 1.990 0.01 2 11 2 2 GLU HB3 H 1.990 0.01 2 12 2 2 GLU HG2 H 2.350 0.01 2 13 2 2 GLU HG3 H 2.350 0.01 2 14 2 2 GLU CA C 60.949 0.1 1 15 2 2 GLU CB C 28.708 0.1 1 16 2 2 GLU CG C 36.429 0.1 1 17 2 2 GLU N N 122.532 0.1 1 18 3 3 ALA H H 8.019 0.01 1 19 3 3 ALA HA H 3.990 0.01 1 20 3 3 ALA HB H 1.140 0.01 1 21 3 3 ALA CA C 54.456 0.1 1 22 3 3 ALA CB C 18.632 0.1 1 23 3 3 ALA N N 121.649 0.1 1 24 4 4 PHE H H 8.012 0.01 1 25 4 4 PHE HA H 4.320 0.01 1 26 4 4 PHE HB2 H 2.970 0.01 2 27 4 4 PHE HB3 H 3.210 0.01 2 28 4 4 PHE HD1 H 7.040 0.01 3 29 4 4 PHE HD2 H 7.040 0.01 3 30 4 4 PHE HE1 H 6.961 0.01 3 31 4 4 PHE HE2 H 6.820 0.01 3 32 4 4 PHE HZ H 7.490 0.01 1 33 4 4 PHE CA C 59.636 0.1 1 34 4 4 PHE CB C 39.878 0.1 1 35 4 4 PHE N N 112.032 0.1 1 36 5 5 CYS H H 7.439 0.01 1 37 5 5 CYS HA H 4.480 0.01 1 38 5 5 CYS HB2 H 3.240 0.01 2 39 5 5 CYS HB3 H 2.680 0.01 2 40 5 5 CYS CA C 60.949 0.1 1 41 5 5 CYS CB C 26.581 0.1 1 42 5 5 CYS N N 117.460 0.1 1 43 6 6 ALA H H 8.419 0.01 1 44 6 6 ALA HA H 4.130 0.01 1 45 6 6 ALA HB H 0.590 0.01 1 46 6 6 ALA CA C 50.874 0.1 1 47 6 6 ALA CB C 19.304 0.1 1 48 6 6 ALA N N 130.149 0.1 1 49 7 7 THR H H 7.849 0.01 1 50 7 7 THR HA H 4.590 0.01 1 51 7 7 THR HB H 3.850 0.01 1 52 7 7 THR HG2 H 0.970 0.01 1 53 7 7 THR CA C 63.269 0.1 1 54 7 7 THR CB C 68.898 0.1 1 55 7 7 THR CG2 C 21.063 0.1 1 56 7 7 THR N N 116.149 0.1 1 57 8 8 TRP H H 9.717 0.01 1 58 8 8 TRP HA H 5.220 0.01 1 59 8 8 TRP HB2 H 3.120 0.01 2 60 8 8 TRP HB3 H 3.120 0.01 2 61 8 8 TRP HD1 H 6.980 0.01 1 62 8 8 TRP HE1 H 10.087 0.01 1 63 8 8 TRP HE3 H 7.070 0.01 1 64 8 8 TRP HH2 H 6.760 0.01 1 65 8 8 TRP HZ2 H 7.210 0.01 1 66 8 8 TRP HZ3 H 7.110 0.01 1 67 8 8 TRP CA C 55.240 0.1 1 68 8 8 TRP CB C 31.954 0.1 1 69 8 8 TRP N N 128.560 0.1 1 70 8 8 TRP NE1 N 129.905 0.1 1 71 9 9 LYS H H 9.809 0.01 1 72 9 9 LYS HA H 5.320 0.01 1 73 9 9 LYS HB2 H 1.740 0.01 2 74 9 9 LYS HB3 H 1.860 0.01 2 75 9 9 LYS HD2 H 1.620 0.01 2 76 9 9 LYS HD3 H 1.620 0.01 2 77 9 9 LYS HE2 H 2.850 0.01 2 78 9 9 LYS HE3 H 2.850 0.01 2 79 9 9 LYS HG2 H 1.480 0.01 2 80 9 9 LYS HG3 H 1.340 0.01 2 81 9 9 LYS CA C 54.680 0.1 1 82 9 9 LYS CB C 35.801 0.1 1 83 9 9 LYS CD C 29.216 0.1 1 84 9 9 LYS CE C 42.073 0.1 1 85 9 9 LYS CG C 24.721 0.1 1 86 9 9 LYS N N 121.749 0.1 1 87 10 10 LEU H H 7.769 0.01 1 88 10 10 LEU HA H 3.810 0.01 1 89 10 10 LEU HB2 H 1.460 0.01 2 90 10 10 LEU HB3 H 1.460 0.01 2 91 10 10 LEU HD1 H 0.756 0.01 2 92 10 10 LEU HD2 H 0.236 0.01 2 93 10 10 LEU HG H 1.224 0.01 1 94 10 10 LEU CA C 56.359 0.1 1 95 10 10 LEU CB C 42.701 0.1 1 96 10 10 LEU CD1 C 26.819 0.1 2 97 10 10 LEU CD2 C 23.571 0.1 2 98 10 10 LEU CG C 26.707 0.1 1 99 10 10 LEU N N 126.349 0.1 1 100 11 11 THR H H 9.539 0.01 1 101 11 11 THR HA H 4.500 0.01 1 102 11 11 THR HB H 4.100 0.01 1 103 11 11 THR HG2 H 1.127 0.01 1 104 11 11 THR CA C 61.930 0.1 1 105 11 11 THR CB C 69.681 0.1 1 106 11 11 THR CG2 C 22.193 0.1 1 107 11 11 THR N N 118.849 0.1 1 108 12 12 ASN H H 7.652 0.01 1 109 12 12 ASN HA H 4.790 0.01 1 110 12 12 ASN HB2 H 2.640 0.01 2 111 12 12 ASN HB3 H 2.500 0.01 2 112 12 12 ASN HD21 H 7.785 0.01 2 113 12 12 ASN HD22 H 7.227 0.01 2 114 12 12 ASN CA C 53.519 0.1 1 115 12 12 ASN CB C 41.804 0.1 1 116 12 12 ASN N N 119.208 0.1 1 117 12 12 ASN ND2 N 111.626 0.1 1 118 13 13 SER H H 8.329 0.01 1 119 13 13 SER HA H 5.000 0.01 1 120 13 13 SER HB2 H 3.360 0.01 2 121 13 13 SER HB3 H 3.640 0.01 2 122 13 13 SER CA C 57.275 0.1 1 123 13 13 SER CB C 64.581 0.1 1 124 13 13 SER N N 117.026 0.1 1 125 14 14 GLN H H 9.324 0.01 1 126 14 14 GLN HA H 4.760 0.01 1 127 14 14 GLN HB2 H 1.950 0.01 2 128 14 14 GLN HB3 H 2.120 0.01 2 129 14 14 GLN HE21 H 7.655 0.01 2 130 14 14 GLN HE22 H 6.897 0.01 2 131 14 14 GLN HG2 H 2.270 0.01 2 132 14 14 GLN HG3 H 2.270 0.01 2 133 14 14 GLN CA C 55.016 0.1 1 134 14 14 GLN CB C 32.066 0.1 1 135 14 14 GLN CG C 33.815 0.1 1 136 14 14 GLN N N 128.104 0.1 1 137 14 14 GLN NE2 N 112.636 0.1 1 138 15 15 ASN H H 9.419 0.01 1 139 15 15 ASN HA H 4.750 0.01 1 140 15 15 ASN HB2 H 2.670 0.01 2 141 15 15 ASN HB3 H 3.750 0.01 2 142 15 15 ASN HD21 H 7.383 0.01 2 143 15 15 ASN HD22 H 6.780 0.01 2 144 15 15 ASN CA C 54.045 0.1 1 145 15 15 ASN CB C 39.791 0.1 1 146 15 15 ASN N N 123.249 0.1 1 147 15 15 ASN ND2 N 115.165 0.1 1 148 16 16 PHE H H 8.724 0.01 1 149 16 16 PHE HA H 4.390 0.01 1 150 16 16 PHE HB2 H 2.850 0.01 2 151 16 16 PHE HB3 H 3.120 0.01 2 152 16 16 PHE HD1 H 6.960 0.01 3 153 16 16 PHE HD2 H 6.960 0.01 3 154 16 16 PHE HE1 H 7.101 0.01 3 155 16 16 PHE HE2 H 6.960 0.01 3 156 16 16 PHE HZ H 6.860 0.01 1 157 16 16 PHE CA C 59.923 0.1 1 158 16 16 PHE CB C 40.192 0.1 1 159 16 16 PHE N N 120.449 0.1 1 160 17 17 ASP H H 8.678 0.01 1 161 17 17 ASP HA H 4.210 0.01 1 162 17 17 ASP HB2 H 2.460 0.01 2 163 17 17 ASP HB3 H 2.830 0.01 2 164 17 17 ASP CA C 58.598 0.1 1 165 17 17 ASP CB C 41.806 0.1 1 166 17 17 ASP N N 120.304 0.1 1 167 18 18 GLU H H 8.249 0.01 1 168 18 18 GLU HA H 3.710 0.01 1 169 18 18 GLU HB2 H 1.980 0.01 2 170 18 18 GLU HB3 H 1.860 0.01 2 171 18 18 GLU HG2 H 2.410 0.01 2 172 18 18 GLU HG3 H 2.330 0.01 2 173 18 18 GLU CA C 59.494 0.1 1 174 18 18 GLU CB C 28.148 0.1 1 175 18 18 GLU CG C 36.742 0.1 1 176 18 18 GLU N N 118.549 0.1 1 177 19 19 TYR H H 7.637 0.01 1 178 19 19 TYR HA H 3.870 0.01 1 179 19 19 TYR HB2 H 2.960 0.01 2 180 19 19 TYR HB3 H 2.850 0.01 2 181 19 19 TYR HD1 H 6.620 0.01 3 182 19 19 TYR HD2 H 6.620 0.01 3 183 19 19 TYR HE1 H 6.451 0.01 3 184 19 19 TYR HE2 H 6.310 0.01 3 185 19 19 TYR CA C 62.695 0.1 1 186 19 19 TYR CB C 39.231 0.1 1 187 19 19 TYR N N 121.708 0.1 1 188 20 20 MET H H 8.239 0.01 1 189 20 20 MET HA H 3.180 0.01 1 190 20 20 MET HB2 H 2.050 0.01 2 191 20 20 MET HB3 H 1.171 0.01 2 192 20 20 MET HE H 2.040 0.01 1 193 20 20 MET HG2 H 1.180 0.01 2 194 20 20 MET HG3 H 1.320 0.01 2 195 20 20 MET CA C 60.166 0.1 1 196 20 20 MET CB C 34.305 0.1 1 197 20 20 MET CG C 32.247 0.1 1 198 20 20 MET N N 117.549 0.1 1 199 21 21 LYS H H 8.532 0.01 1 200 21 21 LYS HA H 3.670 0.01 1 201 21 21 LYS HB2 H 1.750 0.01 2 202 21 21 LYS HB3 H 1.750 0.01 2 203 21 21 LYS HD2 H 1.550 0.01 2 204 21 21 LYS HD3 H 1.550 0.01 2 205 21 21 LYS HE2 H 2.800 0.01 2 206 21 21 LYS HE3 H 2.800 0.01 2 207 21 21 LYS HG2 H 1.323 0.01 2 208 21 21 LYS HG3 H 1.130 0.01 2 209 21 21 LYS CA C 59.942 0.1 1 210 21 21 LYS CB C 32.402 0.1 1 211 21 21 LYS CD C 29.460 0.1 1 212 21 21 LYS CE C 41.655 0.1 1 213 21 21 LYS CG C 25.147 0.1 1 214 21 21 LYS N N 119.674 0.1 1 215 22 22 ALA H H 8.050 0.01 1 216 22 22 ALA HA H 4.000 0.01 1 217 22 22 ALA HB H 1.550 0.01 1 218 22 22 ALA CA C 54.857 0.1 1 219 22 22 ALA CB C 17.848 0.1 1 220 22 22 ALA N N 124.851 0.1 1 221 23 23 LEU H H 7.379 0.01 1 222 23 23 LEU HA H 3.310 0.01 1 223 23 23 LEU HB2 H 1.090 0.01 2 224 23 23 LEU HB3 H 1.090 0.01 2 225 23 23 LEU HD1 H 0.128 0.01 2 226 23 23 LEU HD2 H 0.160 0.01 2 227 23 23 LEU HG H 0.960 0.01 1 228 23 23 LEU CA C 55.576 0.1 1 229 23 23 LEU CB C 43.709 0.1 1 230 23 23 LEU CD1 C 23.444 0.1 2 231 23 23 LEU CD2 C 24.905 0.1 2 232 23 23 LEU CG C 26.451 0.1 1 233 23 23 LEU N N 116.949 0.1 1 234 24 24 GLY H H 7.609 0.01 1 235 24 24 GLY HA2 H 3.530 0.01 2 236 24 24 GLY HA3 H 4.090 0.01 2 237 24 24 GLY CA C 44.605 0.1 1 238 24 24 GLY N N 106.649 0.1 1 239 25 25 VAL H H 7.576 0.01 1 240 25 25 VAL HA H 3.610 0.01 1 241 25 25 VAL HB H 1.320 0.01 1 242 25 25 VAL HG1 H 0.710 0.01 2 243 25 25 VAL HG2 H 0.870 0.01 2 244 25 25 VAL CA C 63.076 0.1 1 245 25 25 VAL CB C 31.506 0.1 1 246 25 25 VAL CG1 C 22.422 0.1 2 247 25 25 VAL N N 122.758 0.1 1 248 26 26 GLY H H 8.895 0.01 1 249 26 26 GLY HA2 H 3.960 0.01 2 250 26 26 GLY HA3 H 3.920 0.01 2 251 26 26 GLY CA C 45.164 0.1 1 252 26 26 GLY N N 116.483 0.1 1 253 27 27 PHE H H 8.686 0.01 1 254 27 27 PHE HA H 3.770 0.01 1 255 27 27 PHE HB2 H 3.180 0.01 2 256 27 27 PHE HB3 H 2.950 0.01 2 257 27 27 PHE HD1 H 7.100 0.01 3 258 27 27 PHE HD2 H 7.100 0.01 3 259 27 27 PHE HE1 H 7.361 0.01 3 260 27 27 PHE HE2 H 7.220 0.01 3 261 27 27 PHE HZ H 7.220 0.01 1 262 27 27 PHE CA C 62.629 0.1 1 263 27 27 PHE CB C 39.343 0.1 1 264 27 27 PHE N N 121.761 0.1 1 265 28 28 ALA H H 8.829 0.01 1 266 28 28 ALA HA H 3.880 0.01 1 267 28 28 ALA HB H 1.370 0.01 1 268 28 28 ALA CA C 55.352 0.1 1 269 28 28 ALA CB C 17.625 0.1 1 270 28 28 ALA N N 121.449 0.1 1 271 29 29 THR H H 7.609 0.01 1 272 29 29 THR HA H 3.620 0.01 1 273 29 29 THR HB H 3.830 0.01 1 274 29 29 THR HG2 H 0.800 0.01 1 275 29 29 THR CA C 65.849 0.1 1 276 29 29 THR CB C 67.461 0.1 1 277 29 29 THR CG2 C 22.317 0.1 1 278 29 29 THR N N 116.449 0.1 1 279 30 30 ARG H H 8.434 0.01 1 280 30 30 ARG HA H 3.790 0.01 1 281 30 30 ARG HB2 H 1.590 0.01 2 282 30 30 ARG HB3 H 1.590 0.01 2 283 30 30 ARG CA C 59.718 0.1 1 284 30 30 ARG CB C 29.603 0.1 1 285 30 30 ARG CD C 44.268 0.1 1 286 30 30 ARG CG C 27.225 0.1 1 287 30 30 ARG N N 123.208 0.1 1 288 31 31 GLN H H 7.749 0.01 1 289 31 31 GLN HA H 3.760 0.01 1 290 31 31 GLN HB2 H 1.810 0.01 2 291 31 31 GLN HB3 H 1.810 0.01 2 292 31 31 GLN HE21 H 6.901 0.01 2 293 31 31 GLN HE22 H 6.839 0.01 2 294 31 31 GLN HG2 H 1.910 0.01 2 295 31 31 GLN HG3 H 1.910 0.01 2 296 31 31 GLN CA C 58.710 0.1 1 297 31 31 GLN CB C 28.036 0.1 1 298 31 31 GLN CG C 33.606 0.1 1 299 31 31 GLN N N 116.688 0.1 1 300 31 31 GLN NE2 N 114.026 0.1 1 301 32 32 VAL H H 6.812 0.01 1 302 32 32 VAL HA H 3.620 0.01 1 303 32 32 VAL HB H 1.660 0.01 1 304 32 32 VAL HG1 H 0.450 0.01 2 305 32 32 VAL HG2 H 0.720 0.01 2 306 32 32 VAL CA C 64.980 0.1 1 307 32 32 VAL CB C 31.618 0.1 1 308 32 32 VAL CG1 C 21.167 0.1 2 309 32 32 VAL N N 117.689 0.1 1 310 33 33 GLY H H 8.869 0.01 1 311 33 33 GLY HA2 H 3.460 0.01 2 312 33 33 GLY HA3 H 3.570 0.01 2 313 33 33 GLY CA C 47.354 0.1 1 314 33 33 GLY N N 111.349 0.1 1 315 34 34 ASN H H 8.289 0.01 1 316 34 34 ASN HA H 4.750 0.01 1 317 34 34 ASN HB2 H 2.680 0.01 2 318 34 34 ASN HB3 H 2.600 0.01 2 319 34 34 ASN HD21 H 7.403 0.01 2 320 34 34 ASN HD22 H 6.814 0.01 2 321 34 34 ASN CA C 55.576 0.1 1 322 34 34 ASN CB C 39.455 0.1 1 323 34 34 ASN N N 117.449 0.1 1 324 34 34 ASN ND2 N 113.342 0.1 1 325 35 35 VAL H H 7.254 0.01 1 326 35 35 VAL HA H 4.440 0.01 1 327 35 35 VAL HB H 2.210 0.01 1 328 35 35 VAL HG1 H 0.870 0.01 2 329 35 35 VAL HG2 H 0.920 0.01 2 330 35 35 VAL CA C 61.845 0.1 1 331 35 35 VAL CB C 33.074 0.1 1 332 35 35 VAL CG1 C 19.495 0.1 2 333 35 35 VAL N N 112.845 0.1 1 334 36 36 THR H H 7.479 0.01 1 335 36 36 THR HA H 4.150 0.01 1 336 36 36 THR HB H 3.960 0.01 1 337 36 36 THR HG2 H 1.180 0.01 1 338 36 36 THR CA C 63.938 0.1 1 339 36 36 THR CB C 69.460 0.1 1 340 36 36 THR CG2 C 21.585 0.1 1 341 36 36 THR N N 118.449 0.1 1 342 38 38 PRO HA H 4.756 0.01 1 343 38 38 PRO HB2 H 1.970 0.01 2 344 38 38 PRO HB3 H 2.216 0.01 2 345 38 38 PRO HD2 H 3.696 0.01 2 346 38 38 PRO HD3 H 3.612 0.01 2 347 38 38 PRO HG2 H 1.928 0.01 2 348 38 38 PRO HG3 H 1.926 0.01 2 349 38 38 PRO CA C 62.741 0.1 1 350 38 38 PRO CB C 33.186 0.1 1 351 38 38 PRO CD C 51.511 0.1 1 352 38 38 PRO CG C 27.350 0.1 1 353 39 39 THR H H 8.580 0.01 1 354 39 39 THR HA H 5.250 0.01 1 355 39 39 THR HB H 3.970 0.01 1 356 39 39 THR HG2 H 1.150 0.01 1 357 39 39 THR CA C 61.799 0.1 1 358 39 39 THR CB C 70.811 0.1 1 359 39 39 THR CG2 C 21.234 0.1 1 360 39 39 THR N N 118.274 0.1 1 361 40 40 VAL H H 9.774 0.01 1 362 40 40 VAL HA H 5.070 0.01 1 363 40 40 VAL HB H 1.630 0.01 1 364 40 40 VAL HG1 H 0.640 0.01 2 365 40 40 VAL HG2 H 0.800 0.01 2 366 40 40 VAL CA C 60.650 0.1 1 367 40 40 VAL CB C 34.736 0.1 1 368 40 40 VAL CG1 C 20.854 0.1 2 369 40 40 VAL N N 129.493 0.1 1 370 41 41 ILE H H 9.784 0.01 1 371 41 41 ILE HA H 5.030 0.01 1 372 41 41 ILE HB H 1.620 0.01 1 373 41 41 ILE HD1 H 0.815 0.01 1 374 41 41 ILE HG12 H 1.147 0.01 2 375 41 41 ILE HG13 H 1.490 0.01 2 376 41 41 ILE HG2 H 0.752 0.01 1 377 41 41 ILE CA C 61.061 0.1 1 378 41 41 ILE CB C 40.350 0.1 1 379 41 41 ILE CD1 C 14.686 0.1 1 380 41 41 ILE CG1 C 27.857 0.1 1 381 41 41 ILE CG2 C 17.927 0.1 1 382 41 41 ILE N N 128.926 0.1 1 383 42 42 ILE H H 8.369 0.01 1 384 42 42 ILE HA H 5.230 0.01 1 385 42 42 ILE HB H 2.510 0.01 1 386 42 42 ILE HD1 H 0.713 0.01 1 387 42 42 ILE HG12 H 0.991 0.01 2 388 42 42 ILE HG13 H 0.990 0.01 2 389 42 42 ILE HG2 H 0.717 0.01 1 390 42 42 ILE CA C 60.502 0.1 1 391 42 42 ILE CB C 38.000 0.1 1 392 42 42 ILE CD1 C 12.105 0.1 1 393 42 42 ILE CG1 C 28.748 0.1 1 394 42 42 ILE CG2 C 15.370 0.1 1 395 42 42 ILE N N 130.849 0.1 1 396 43 43 SER H H 9.256 0.01 1 397 43 43 SER HA H 4.710 0.01 1 398 43 43 SER HB2 H 3.710 0.01 2 399 43 43 SER HB3 H 3.570 0.01 2 400 43 43 SER CA C 57.008 0.1 1 401 43 43 SER CB C 65.875 0.1 1 402 43 43 SER N N 122.751 0.1 1 403 44 44 GLN H H 8.499 0.01 1 404 44 44 GLN HA H 4.880 0.01 1 405 44 44 GLN HB2 H 1.888 0.01 2 406 44 44 GLN HB3 H 1.748 0.01 2 407 44 44 GLN HE21 H 6.762 0.01 2 408 44 44 GLN HE22 H 7.337 0.01 2 409 44 44 GLN HG2 H 2.006 0.01 2 410 44 44 GLN HG3 H 2.182 0.01 2 411 44 44 GLN CA C 54.905 0.1 1 412 44 44 GLN CB C 31.752 0.1 1 413 44 44 GLN CG C 34.878 0.1 1 414 44 44 GLN N N 118.649 0.1 1 415 44 44 GLN NE2 N 111.016 0.1 1 416 45 45 GLU H H 8.508 0.01 1 417 45 45 GLU HA H 4.400 0.01 1 418 45 45 GLU HB2 H 1.540 0.01 2 419 45 45 GLU HB3 H 1.710 0.01 2 420 45 45 GLU HG2 H 1.950 0.01 2 421 45 45 GLU HG3 H 1.950 0.01 2 422 45 45 GLU CA C 54.456 0.1 1 423 45 45 GLU CB C 30.499 0.1 1 424 45 45 GLU CG C 35.383 0.1 1 425 45 45 GLU N N 126.405 0.1 1 426 46 46 GLY H H 8.969 0.01 1 427 46 46 GLY HA2 H 3.540 0.01 2 428 46 46 GLY HA3 H 3.890 0.01 2 429 46 46 GLY CA C 47.179 0.1 1 430 46 46 GLY N N 117.849 0.1 1 431 47 47 ASP H H 8.743 0.01 1 432 47 47 ASP HA H 4.510 0.01 1 433 47 47 ASP HB2 H 2.640 0.01 2 434 47 47 ASP HB3 H 2.640 0.01 2 435 47 47 ASP CA C 54.344 0.1 1 436 47 47 ASP CB C 40.350 0.1 1 437 47 47 ASP N N 127.405 0.1 1 438 48 48 LYS H H 7.782 0.01 1 439 48 48 LYS HA H 4.468 0.01 1 440 48 48 LYS HB2 H 1.570 0.01 2 441 48 48 LYS HB3 H 1.556 0.01 2 442 48 48 LYS HD2 H 1.310 0.01 2 443 48 48 LYS HD3 H 1.250 0.01 2 444 48 48 LYS HE2 H 2.750 0.01 2 445 48 48 LYS HE3 H 2.750 0.01 2 446 48 48 LYS HG2 H 1.345 0.01 2 447 48 48 LYS HG3 H 1.017 0.01 2 448 48 48 LYS CA C 54.612 0.1 1 449 48 48 LYS CB C 34.359 0.1 1 450 48 48 LYS CD C 28.667 0.1 1 451 48 48 LYS CE C 41.969 0.1 1 452 48 48 LYS CG C 24.932 0.1 1 453 48 48 LYS N N 119.289 0.1 1 454 49 49 VAL H H 8.583 0.01 1 455 49 49 VAL HA H 4.130 0.01 1 456 49 49 VAL HB H 0.780 0.01 1 457 49 49 VAL HG1 H 0.457 0.01 2 458 49 49 VAL HG2 H 0.590 0.01 2 459 49 49 VAL CA C 61.070 0.1 1 460 49 49 VAL CB C 31.759 0.1 1 461 49 49 VAL CG1 C 21.376 0.1 2 462 49 49 VAL N N 125.857 0.1 1 463 50 50 VAL H H 8.589 0.01 1 464 50 50 VAL HA H 4.590 0.01 1 465 50 50 VAL HB H 1.740 0.01 1 466 50 50 VAL HG1 H 0.640 0.01 2 467 50 50 VAL HG2 H 0.500 0.01 2 468 50 50 VAL CA C 60.191 0.1 1 469 50 50 VAL CB C 33.745 0.1 1 470 50 50 VAL CG1 C 20.540 0.1 2 471 50 50 VAL N N 125.867 0.1 1 472 51 51 ILE H H 8.655 0.01 1 473 51 51 ILE HA H 4.790 0.01 1 474 51 51 ILE HB H 1.730 0.01 1 475 51 51 ILE HD1 H 0.740 0.01 1 476 51 51 ILE HG12 H 0.970 0.01 2 477 51 51 ILE HG13 H 0.970 0.01 2 478 51 51 ILE HG2 H 0.550 0.01 1 479 51 51 ILE CA C 61.285 0.1 1 480 51 51 ILE CB C 39.007 0.1 1 481 51 51 ILE CD1 C 12.178 0.1 1 482 51 51 ILE CG1 C 26.603 0.1 1 483 51 51 ILE CG2 C 15.836 0.1 1 484 51 51 ILE N N 123.398 0.1 1 485 52 52 ARG H H 9.479 0.01 1 486 52 52 ARG HA H 5.080 0.01 1 487 52 52 ARG HB2 H 1.760 0.01 2 488 52 52 ARG HB3 H 1.640 0.01 2 489 52 52 ARG HD2 H 3.050 0.01 2 490 52 52 ARG HD3 H 3.050 0.01 2 491 52 52 ARG HE H 7.210 0.01 1 492 52 52 ARG HG2 H 1.660 0.01 2 493 52 52 ARG HG3 H 1.430 0.01 2 494 52 52 ARG CA C 54.792 0.1 1 495 52 52 ARG CB C 32.514 0.1 1 496 52 52 ARG CD C 43.432 0.1 1 497 52 52 ARG CG C 28.380 0.1 1 498 52 52 ARG N N 133.049 0.1 1 499 52 52 ARG NE N 86.132 0.1 1 500 53 53 THR H H 9.005 0.01 1 501 53 53 THR HA H 5.000 0.01 1 502 53 53 THR HB H 4.260 0.01 1 503 53 53 THR HG2 H 1.030 0.01 1 504 53 53 THR CA C 62.313 0.1 1 505 53 53 THR CB C 69.460 0.1 1 506 53 53 THR CG2 C 20.854 0.1 1 507 53 53 THR N N 122.284 0.1 1 508 54 54 LEU H H 9.742 0.01 1 509 54 54 LEU HA H 5.304 0.01 1 510 54 54 LEU HB2 H 1.710 0.01 2 511 54 54 LEU HB3 H 1.710 0.01 2 512 54 54 LEU HD1 H 0.722 0.01 2 513 54 54 LEU HD2 H 0.773 0.01 2 514 54 54 LEU HG H 1.460 0.01 1 515 54 54 LEU CA C 53.313 0.1 1 516 54 54 LEU CB C 42.925 0.1 1 517 54 54 LEU CD1 C 23.650 0.1 2 518 54 54 LEU CD2 C 25.347 0.1 2 519 54 54 LEU CG C 27.439 0.1 1 520 54 54 LEU N N 128.293 0.1 1 521 55 55 SER H H 8.569 0.01 1 522 55 55 SER HA H 4.870 0.01 1 523 55 55 SER HB2 H 3.850 0.01 2 524 55 55 SER HB3 H 4.050 0.01 2 525 55 55 SER N N 116.469 0.1 1 526 56 56 THR HA H 4.000 0.01 1 527 56 56 THR HB H 4.220 0.01 1 528 56 56 THR HG2 H 1.195 0.01 1 529 56 56 THR CA C 63.669 0.1 1 530 56 56 THR CB C 68.541 0.1 1 531 56 56 THR CG2 C 22.183 0.1 1 532 57 57 PHE H H 7.636 0.01 1 533 57 57 PHE HA H 4.570 0.01 1 534 57 57 PHE HB2 H 2.680 0.01 2 535 57 57 PHE HB3 H 3.070 0.01 2 536 57 57 PHE HD1 H 7.100 0.01 3 537 57 57 PHE HD2 H 7.100 0.01 3 538 57 57 PHE HE1 H 7.241 0.01 3 539 57 57 PHE HE2 H 7.100 0.01 3 540 57 57 PHE HZ H 6.800 0.01 1 541 57 57 PHE CA C 58.486 0.1 1 542 57 57 PHE CB C 40.350 0.1 1 543 57 57 PHE N N 121.178 0.1 1 544 58 58 LYS H H 6.862 0.01 1 545 58 58 LYS HA H 4.130 0.01 1 546 58 58 LYS HB2 H 1.220 0.01 2 547 58 58 LYS HB3 H 1.340 0.01 2 548 58 58 LYS HD2 H 1.440 0.01 2 549 58 58 LYS HD3 H 1.440 0.01 2 550 58 58 LYS HE2 H 2.610 0.01 2 551 58 58 LYS HE3 H 2.610 0.01 2 552 58 58 LYS HG2 H 0.900 0.01 2 553 58 58 LYS HG3 H 0.710 0.01 2 554 58 58 LYS CA C 55.688 0.1 1 555 58 58 LYS CB C 35.984 0.1 1 556 58 58 LYS CD C 29.216 0.1 1 557 58 58 LYS CE C 41.342 0.1 1 558 58 58 LYS CG C 24.094 0.1 1 559 58 58 LYS N N 116.577 0.1 1 560 59 59 ASN H H 8.581 0.01 1 561 59 59 ASN HA H 5.800 0.01 1 562 59 59 ASN HB2 H 2.590 0.01 2 563 59 59 ASN HB3 H 2.810 0.01 2 564 59 59 ASN HD21 H 7.418 0.01 2 565 59 59 ASN HD22 H 6.459 0.01 2 566 59 59 ASN CA C 51.322 0.1 1 567 59 59 ASN CB C 39.679 0.1 1 568 59 59 ASN N N 123.966 0.1 1 569 59 59 ASN ND2 N 111.375 0.1 1 570 60 60 THR H H 9.412 0.01 1 571 60 60 THR HA H 4.810 0.01 1 572 60 60 THR HB H 4.343 0.01 1 573 60 60 THR HG2 H 0.980 0.01 1 574 60 60 THR CA C 60.162 0.1 1 575 60 60 THR CB C 72.551 0.1 1 576 60 60 THR CG2 C 20.331 0.1 1 577 60 60 THR N N 113.166 0.1 1 578 61 61 GLU H H 8.669 0.01 1 579 61 61 GLU HA H 5.050 0.01 1 580 61 61 GLU HB2 H 1.830 0.01 2 581 61 61 GLU HB3 H 1.830 0.01 2 582 61 61 GLU HG2 H 1.970 0.01 2 583 61 61 GLU HG3 H 1.970 0.01 2 584 61 61 GLU CA C 56.359 0.1 1 585 61 61 GLU CB C 32.962 0.1 1 586 61 61 GLU CG C 36.847 0.1 1 587 61 61 GLU N N 123.400 0.1 1 588 62 62 ILE H H 8.365 0.01 1 589 62 62 ILE HA H 4.810 0.01 1 590 62 62 ILE HB H 1.800 0.01 1 591 62 62 ILE HD1 H 0.842 0.01 1 592 62 62 ILE HG12 H 1.620 0.01 2 593 62 62 ILE HG13 H 1.620 0.01 2 594 62 62 ILE HG2 H 1.169 0.01 1 595 62 62 ILE CA C 59.830 0.1 1 596 62 62 ILE CB C 42.030 0.1 1 597 62 62 ILE CD1 C 13.850 0.1 1 598 62 62 ILE CG1 C 25.662 0.1 1 599 62 62 ILE CG2 C 19.495 0.1 1 600 62 62 ILE N N 119.938 0.1 1 601 63 63 SER H H 8.109 0.01 1 602 63 63 SER HA H 5.210 0.01 1 603 63 63 SER HB2 H 3.380 0.01 2 604 63 63 SER HB3 H 3.490 0.01 2 605 63 63 SER CA C 55.942 0.1 1 606 63 63 SER CB C 65.274 0.1 1 607 63 63 SER N N 116.049 0.1 1 608 64 64 PHE H H 8.069 0.01 1 609 64 64 PHE HA H 4.620 0.01 1 610 64 64 PHE HB2 H 2.680 0.01 2 611 64 64 PHE HB3 H 1.620 0.01 2 612 64 64 PHE HD1 H 6.100 0.01 3 613 64 64 PHE HD2 H 6.100 0.01 3 614 64 64 PHE HE1 H 6.751 0.01 3 615 64 64 PHE HE2 H 6.610 0.01 3 616 64 64 PHE HZ H 6.610 0.01 1 617 64 64 PHE CA C 55.464 0.1 1 618 64 64 PHE CB C 40.015 0.1 1 619 64 64 PHE N N 120.249 0.1 1 620 65 65 GLN H H 8.854 0.01 1 621 65 65 GLN HA H 4.760 0.01 1 622 65 65 GLN HB2 H 1.810 0.01 2 623 65 65 GLN HB3 H 2.000 0.01 2 624 65 65 GLN HE21 H 7.554 0.01 2 625 65 65 GLN HE22 H 6.796 0.01 2 626 65 65 GLN HG2 H 2.310 0.01 2 627 65 65 GLN HG3 H 2.270 0.01 2 628 65 65 GLN CA C 53.896 0.1 1 629 65 65 GLN CB C 30.611 0.1 1 630 65 65 GLN CG C 34.652 0.1 1 631 65 65 GLN N N 118.330 0.1 1 632 65 65 GLN NE2 N 112.227 0.1 1 633 66 66 LEU H H 9.209 0.01 1 634 66 66 LEU HA H 4.420 0.01 1 635 66 66 LEU HB2 H 1.560 0.01 2 636 66 66 LEU HB3 H 1.770 0.01 2 637 66 66 LEU HD1 H 0.886 0.01 2 638 66 66 LEU HD2 H 0.717 0.01 2 639 66 66 LEU HG H 1.760 0.01 1 640 66 66 LEU CA C 56.471 0.1 1 641 66 66 LEU CB C 40.686 0.1 1 642 66 66 LEU CD1 C 26.067 0.1 2 643 66 66 LEU CD2 C 23.564 0.1 2 644 66 66 LEU N N 127.326 0.1 1 645 67 67 GLY H H 9.519 0.01 1 646 67 67 GLY HA2 H 3.410 0.01 2 647 67 67 GLY HA3 H 4.200 0.01 2 648 67 67 GLY CA C 45.821 0.1 1 649 67 67 GLY N N 110.749 0.1 1 650 68 68 GLU H H 7.746 0.01 1 651 68 68 GLU HA H 4.680 0.01 1 652 68 68 GLU HB2 H 1.930 0.01 2 653 68 68 GLU HB3 H 1.930 0.01 2 654 68 68 GLU HG2 H 2.180 0.01 2 655 68 68 GLU HG3 H 2.180 0.01 2 656 68 68 GLU CA C 54.904 0.1 1 657 68 68 GLU CB C 31.282 0.1 1 658 68 68 GLU CG C 35.488 0.1 1 659 68 68 GLU N N 121.278 0.1 1 660 69 69 GLU H H 8.969 0.01 1 661 69 69 GLU HA H 4.960 0.01 1 662 69 69 GLU HB2 H 1.890 0.01 2 663 69 69 GLU HB3 H 1.890 0.01 2 664 69 69 GLU HG2 H 2.040 0.01 2 665 69 69 GLU HG3 H 2.040 0.01 2 666 69 69 GLU CA C 56.695 0.1 1 667 69 69 GLU CB C 30.947 0.1 1 668 69 69 GLU CG C 37.474 0.1 1 669 69 69 GLU N N 131.349 0.1 1 670 70 70 PHE H H 9.449 0.01 1 671 70 70 PHE HA H 5.130 0.01 1 672 70 70 PHE HB2 H 3.190 0.01 2 673 70 70 PHE HB3 H 3.230 0.01 2 674 70 70 PHE HD1 H 7.340 0.01 3 675 70 70 PHE HD2 H 7.340 0.01 3 676 70 70 PHE HE1 H 6.931 0.01 3 677 70 70 PHE HE2 H 6.790 0.01 3 678 70 70 PHE HZ H 6.220 0.01 1 679 70 70 PHE CA C 55.464 0.1 1 680 70 70 PHE CB C 41.806 0.1 1 681 70 70 PHE N N 124.249 0.1 1 682 71 71 ASP H H 8.509 0.01 1 683 71 71 ASP HA H 5.130 0.01 1 684 71 71 ASP HB2 H 2.560 0.01 2 685 71 71 ASP HB3 H 2.660 0.01 2 686 71 71 ASP CA C 54.188 0.1 1 687 71 71 ASP CB C 41.551 0.1 1 688 71 71 ASP N N 120.549 0.1 1 689 72 72 GLU H H 8.705 0.01 1 690 72 72 GLU HA H 4.700 0.01 1 691 72 72 GLU HB2 H 1.740 0.01 2 692 72 72 GLU HB3 H 1.740 0.01 2 693 72 72 GLU HG2 H 2.240 0.01 2 694 72 72 GLU HG3 H 2.240 0.01 2 695 72 72 GLU CA C 54.680 0.1 1 696 72 72 GLU CB C 33.521 0.1 1 697 72 72 GLU CG C 36.115 0.1 1 698 72 72 GLU N N 126.715 0.1 1 699 73 73 THR H H 9.008 0.01 1 700 73 73 THR HA H 5.350 0.01 1 701 73 73 THR HB H 3.940 0.01 1 702 73 73 THR HG2 H 1.140 0.01 1 703 73 73 THR CA C 61.644 0.1 1 704 73 73 THR CB C 69.122 0.1 1 705 73 73 THR CG2 C 21.272 0.1 1 706 73 73 THR N N 126.604 0.1 1 707 74 74 THR H H 8.879 0.01 1 708 74 74 THR HA H 4.351 0.01 1 709 74 74 THR HB H 4.268 0.01 1 710 74 74 THR HG1 H 5.960 0.01 1 711 74 74 THR HG2 H 0.912 0.01 1 712 74 74 THR CA C 61.886 0.1 1 713 74 74 THR CB C 71.027 0.1 1 714 74 74 THR CG2 C 23.716 0.1 1 715 74 74 THR N N 119.483 0.1 1 716 75 75 ALA H H 9.542 0.01 1 717 75 75 ALA HA H 3.840 0.01 1 718 75 75 ALA HB H 1.350 0.01 1 719 75 75 ALA CA C 54.680 0.1 1 720 75 75 ALA CB C 18.520 0.1 1 721 75 75 ALA N N 123.427 0.1 1 722 76 76 ASP H H 9.069 0.01 1 723 76 76 ASP HA H 4.470 0.01 1 724 76 76 ASP HB2 H 2.760 0.01 2 725 76 76 ASP HB3 H 2.050 0.01 2 726 76 76 ASP CA C 52.777 0.1 1 727 76 76 ASP CB C 38.447 0.1 1 728 76 76 ASP N N 110.849 0.1 1 729 77 77 ASP H H 7.979 0.01 1 730 77 77 ASP HA H 3.920 0.01 1 731 77 77 ASP HB2 H 2.630 0.01 2 732 77 77 ASP HB3 H 2.760 0.01 2 733 77 77 ASP CA C 56.148 0.1 1 734 77 77 ASP CB C 38.335 0.1 1 735 77 77 ASP N N 115.749 0.1 1 736 78 78 ARG H H 7.388 0.01 1 737 78 78 ARG HA H 4.120 0.01 1 738 78 78 ARG HB2 H 1.164 0.01 2 739 78 78 ARG HB3 H 0.500 0.01 2 740 78 78 ARG HD2 H 2.340 0.01 2 741 78 78 ARG HD3 H 0.230 0.01 2 742 78 78 ARG HE H 9.450 0.01 1 743 78 78 ARG HG2 H 0.950 0.01 2 744 78 78 ARG HG3 H 0.730 0.01 2 745 78 78 ARG HH21 H 6.070 0.01 2 746 78 78 ARG HH22 H 6.070 0.01 2 747 78 78 ARG CA C 55.758 0.1 1 748 78 78 ARG CB C 30.745 0.1 1 749 78 78 ARG CD C 42.387 0.1 1 750 78 78 ARG N N 117.149 0.1 1 751 78 78 ARG NE N 90.432 0.1 1 752 78 78 ARG NH2 N 72.800 0.1 2 753 79 79 ASN H H 8.715 0.01 1 754 79 79 ASN HA H 5.140 0.01 1 755 79 79 ASN HB2 H 2.690 0.01 2 756 79 79 ASN HB3 H 2.690 0.01 2 757 79 79 ASN HD21 H 7.545 0.01 2 758 79 79 ASN HD22 H 6.932 0.01 2 759 79 79 ASN CA C 52.777 0.1 1 760 79 79 ASN CB C 38.804 0.1 1 761 79 79 ASN N N 122.834 0.1 1 762 79 79 ASN ND2 N 113.992 0.1 1 763 80 80 CYS H H 9.183 0.01 1 764 80 80 CYS HA H 5.170 0.01 1 765 80 80 CYS HB2 H 2.760 0.01 2 766 80 80 CYS HB3 H 2.530 0.01 2 767 80 80 CYS CA C 57.255 0.1 1 768 80 80 CYS CB C 31.394 0.1 1 769 80 80 CYS N N 121.513 0.1 1 770 81 81 LYS H H 9.049 0.01 1 771 81 81 LYS HA H 4.840 0.01 1 772 81 81 LYS HB2 H 1.760 0.01 2 773 81 81 LYS HB3 H 1.760 0.01 2 774 81 81 LYS HD2 H 1.530 0.01 2 775 81 81 LYS HD3 H 1.530 0.01 2 776 81 81 LYS HE2 H 2.850 0.01 2 777 81 81 LYS HE3 H 2.850 0.01 2 778 81 81 LYS HG2 H 1.420 0.01 2 779 81 81 LYS HG3 H 1.330 0.01 2 780 81 81 LYS CA C 54.680 0.1 1 781 81 81 LYS CB C 33.298 0.1 1 782 81 81 LYS CD C 28.156 0.1 1 783 81 81 LYS CE C 42.073 0.1 1 784 81 81 LYS CG C 23.843 0.1 1 785 81 81 LYS N N 123.949 0.1 1 786 82 82 SER H H 9.049 0.01 1 787 82 82 SER HA H 5.720 0.01 1 788 82 82 SER HB2 H 2.050 0.01 2 789 82 82 SER HB3 H 3.120 0.01 2 790 82 82 SER HG H 5.810 0.01 1 791 82 82 SER CA C 56.721 0.1 1 792 82 82 SER CB C 67.331 0.1 1 793 82 82 SER N N 125.149 0.1 1 794 83 83 VAL H H 8.219 0.01 1 795 83 83 VAL HA H 4.070 0.01 1 796 83 83 VAL HB H 1.800 0.01 1 797 83 83 VAL HG1 H 0.720 0.01 2 798 83 83 VAL HG2 H 0.720 0.01 2 799 83 83 VAL CA C 61.621 0.1 1 800 83 83 VAL CB C 35.201 0.1 1 801 83 83 VAL CG1 C 20.644 0.1 2 802 83 83 VAL N N 117.949 0.1 1 803 84 84 VAL H H 9.763 0.01 1 804 84 84 VAL HA H 5.180 0.01 1 805 84 84 VAL HB H 0.940 0.01 1 806 84 84 VAL HG1 H -0.459 0.01 2 807 84 84 VAL HG2 H 0.392 0.01 2 808 84 84 VAL CA C 59.923 0.1 1 809 84 84 VAL CB C 31.968 0.1 1 810 84 84 VAL CG1 C 18.701 0.1 2 811 84 84 VAL CG2 C 21.637 0.1 2 812 84 84 VAL N N 131.571 0.1 1 813 85 85 SER H H 9.147 0.01 1 814 85 85 SER HA H 4.710 0.01 1 815 85 85 SER HB2 H 3.620 0.01 2 816 85 85 SER HB3 H 3.620 0.01 2 817 85 85 SER CA C 56.721 0.1 1 818 85 85 SER CB C 65.875 0.1 1 819 85 85 SER N N 121.313 0.1 1 820 86 86 LEU H H 8.790 0.01 1 821 86 86 LEU HA H 5.030 0.01 1 822 86 86 LEU HB2 H 1.330 0.01 2 823 86 86 LEU HB3 H 1.660 0.01 2 824 86 86 LEU HD1 H 0.766 0.01 2 825 86 86 LEU HD2 H 0.749 0.01 2 826 86 86 LEU HG H 1.441 0.01 1 827 86 86 LEU CA C 53.896 0.1 1 828 86 86 LEU CB C 43.485 0.1 1 829 86 86 LEU CD1 C 24.846 0.1 2 830 86 86 LEU CG C 27.234 0.1 1 831 86 86 LEU N N 123.559 0.1 1 832 87 87 ASP H H 9.032 0.01 1 833 87 87 ASP HA H 4.740 0.01 1 834 87 87 ASP HB2 H 2.340 0.01 2 835 87 87 ASP HB3 H 2.570 0.01 2 836 87 87 ASP CA C 52.329 0.1 1 837 87 87 ASP CB C 41.246 0.1 1 838 87 87 ASP N N 127.515 0.1 1 839 88 88 GLY H H 8.789 0.01 1 840 88 88 GLY HA2 H 3.540 0.01 2 841 88 88 GLY HA3 H 3.970 0.01 2 842 88 88 GLY CA C 47.179 0.1 1 843 88 88 GLY N N 115.549 0.1 1 844 89 89 ASP H H 8.619 0.01 1 845 89 89 ASP HA H 4.710 0.01 1 846 89 89 ASP HB2 H 2.760 0.01 2 847 89 89 ASP HB3 H 2.760 0.01 2 848 89 89 ASP CA C 53.652 0.1 1 849 89 89 ASP CB C 40.574 0.1 1 850 89 89 ASP N N 126.947 0.1 1 851 90 90 LYS H H 7.909 0.01 1 852 90 90 LYS HA H 4.898 0.01 1 853 90 90 LYS HB2 H 1.910 0.01 2 854 90 90 LYS HB3 H 1.910 0.01 2 855 90 90 LYS HD2 H 1.530 0.01 2 856 90 90 LYS HD3 H 1.530 0.01 2 857 90 90 LYS HE2 H 2.900 0.01 2 858 90 90 LYS HE3 H 2.900 0.01 2 859 90 90 LYS HG2 H 1.268 0.01 2 860 90 90 LYS HG3 H 1.268 0.01 2 861 90 90 LYS CA C 55.397 0.1 1 862 90 90 LYS CB C 34.305 0.1 1 863 90 90 LYS CD C 29.159 0.1 1 864 90 90 LYS CE C 41.864 0.1 1 865 90 90 LYS CG C 24.545 0.1 1 866 90 90 LYS N N 119.749 0.1 1 867 91 91 LEU H H 8.463 0.01 1 868 91 91 LEU HA H 4.870 0.01 1 869 91 91 LEU HB2 H 0.996 0.01 2 870 91 91 LEU HB3 H 0.586 0.01 2 871 91 91 LEU HD1 H 0.310 0.01 2 872 91 91 LEU HD2 H 0.190 0.01 2 873 91 91 LEU HG H 0.854 0.01 1 874 91 91 LEU CA C 53.076 0.1 1 875 91 91 LEU CB C 44.084 0.1 1 876 91 91 LEU CD1 C 24.311 0.1 2 877 91 91 LEU CG C 26.150 0.1 1 878 91 91 LEU N N 123.506 0.1 1 879 92 92 VAL H H 9.639 0.01 1 880 92 92 VAL HA H 4.530 0.01 1 881 92 92 VAL HB H 2.000 0.01 1 882 92 92 VAL HG1 H 0.800 0.01 2 883 92 92 VAL HG2 H 0.890 0.01 2 884 92 92 VAL CA C 62.904 0.1 1 885 92 92 VAL CB C 33.074 0.1 1 886 92 92 VAL CG1 C 20.644 0.1 2 887 92 92 VAL N N 131.649 0.1 1 888 93 93 HIS H H 9.139 0.01 1 889 93 93 HIS HA H 5.410 0.01 1 890 93 93 HIS HB2 H 2.740 0.01 2 891 93 93 HIS HB3 H 3.380 0.01 2 892 93 93 HIS HD2 H 6.340 0.01 1 893 93 93 HIS HE1 H 7.801 0.01 1 894 93 93 HIS HE2 H 11.850 0.01 1 895 93 93 HIS CA C 52.516 0.1 1 896 93 93 HIS CB C 36.656 0.1 1 897 93 93 HIS N N 131.749 0.1 1 898 93 93 HIS NE2 N 163.716 0.1 1 899 94 94 ILE H H 9.258 0.01 1 900 94 94 ILE HA H 4.470 0.01 1 901 94 94 ILE HB H 1.658 0.01 1 902 94 94 ILE HD1 H 0.708 0.01 1 903 94 94 ILE HG12 H 1.450 0.01 2 904 94 94 ILE HG13 H 0.934 0.01 2 905 94 94 ILE HG2 H 0.828 0.01 1 906 94 94 ILE CA C 60.545 0.1 1 907 94 94 ILE CB C 40.323 0.1 1 908 94 94 ILE CD1 C 13.401 0.1 1 909 94 94 ILE CG1 C 28.111 0.1 1 910 94 94 ILE CG2 C 17.567 0.1 1 911 94 94 ILE N N 127.315 0.1 1 912 95 95 GLN H H 8.512 0.01 1 913 95 95 GLN HA H 4.930 0.01 1 914 95 95 GLN HB2 H 1.680 0.01 2 915 95 95 GLN HB3 H 1.770 0.01 2 916 95 95 GLN HE21 H 6.915 0.01 2 917 95 95 GLN HE22 H 6.292 0.01 2 918 95 95 GLN HG2 H 2.090 0.01 2 919 95 95 GLN HG3 H 2.090 0.01 2 920 95 95 GLN CA C 54.680 0.1 1 921 95 95 GLN CB C 32.514 0.1 1 922 95 95 GLN N N 126.695 0.1 1 923 95 95 GLN NE2 N 113.404 0.1 1 924 96 96 LYS H H 8.699 0.01 1 925 96 96 LYS HA H 5.530 0.01 1 926 96 96 LYS HB2 H 1.900 0.01 2 927 96 96 LYS HB3 H 1.860 0.01 2 928 96 96 LYS HD2 H 1.560 0.01 2 929 96 96 LYS HD3 H 1.560 0.01 2 930 96 96 LYS HE2 H 2.750 0.01 2 931 96 96 LYS HE3 H 2.750 0.01 2 932 96 96 LYS HG2 H 1.310 0.01 2 933 96 96 LYS HG3 H 1.390 0.01 2 934 96 96 LYS CA C 55.464 0.1 1 935 96 96 LYS CB C 35.089 0.1 1 936 96 96 LYS CD C 29.326 0.1 1 937 96 96 LYS CE C 41.864 0.1 1 938 96 96 LYS CG C 25.636 0.1 1 939 96 96 LYS N N 121.849 0.1 1 940 97 97 TRP H H 8.359 0.01 1 941 97 97 TRP HA H 4.820 0.01 1 942 97 97 TRP HB2 H 3.060 0.01 2 943 97 97 TRP HB3 H 3.710 0.01 2 944 97 97 TRP HD1 H 7.060 0.01 1 945 97 97 TRP HE1 H 10.170 0.01 1 946 97 97 TRP HE3 H 7.150 0.01 1 947 97 97 TRP HH2 H 6.410 0.01 1 948 97 97 TRP HZ2 H 7.060 0.01 1 949 97 97 TRP HZ3 H 6.820 0.01 1 950 97 97 TRP CA C 57.255 0.1 1 951 97 97 TRP CB C 32.738 0.1 1 952 97 97 TRP N N 128.649 0.1 1 953 97 97 TRP NE1 N 129.794 0.1 1 954 98 98 ASP H H 9.209 0.01 1 955 98 98 ASP HA H 4.150 0.01 1 956 98 98 ASP HB2 H 2.230 0.01 2 957 98 98 ASP HB3 H 2.680 0.01 2 958 98 98 ASP CA C 55.128 0.1 1 959 98 98 ASP CB C 41.022 0.1 1 960 98 98 ASP N N 122.749 0.1 1 961 99 99 GLY H H 8.381 0.01 1 962 99 99 GLY HA2 H 3.460 0.01 2 963 99 99 GLY HA3 H 3.850 0.01 2 964 99 99 GLY CA C 46.060 0.1 1 965 99 99 GLY N N 104.612 0.1 1 966 100 100 LYS H H 8.402 0.01 1 967 100 100 LYS HA H 4.250 0.01 1 968 100 100 LYS HB2 H 0.100 0.01 2 969 100 100 LYS HB3 H 0.961 0.01 2 970 100 100 LYS HD2 H 1.540 0.01 2 971 100 100 LYS HD3 H 1.540 0.01 2 972 100 100 LYS HE2 H 2.780 0.01 2 973 100 100 LYS HE3 H 2.700 0.01 2 974 100 100 LYS HG2 H 1.170 0.01 2 975 100 100 LYS HG3 H 1.170 0.01 2 976 100 100 LYS CA C 54.568 0.1 1 977 100 100 LYS CB C 34.341 0.1 1 978 100 100 LYS CD C 29.159 0.1 1 979 100 100 LYS CE C 42.282 0.1 1 980 100 100 LYS CG C 24.344 0.1 1 981 100 100 LYS N N 123.591 0.1 1 982 101 101 GLU H H 8.104 0.01 1 983 101 101 GLU HA H 5.640 0.01 1 984 101 101 GLU HB2 H 1.790 0.01 2 985 101 101 GLU HB3 H 1.790 0.01 2 986 101 101 GLU HG2 H 1.980 0.01 2 987 101 101 GLU HG3 H 1.980 0.01 2 988 101 101 GLU CA C 55.240 0.1 1 989 101 101 GLU CB C 33.969 0.1 1 990 101 101 GLU CG C 36.220 0.1 1 991 101 101 GLU N N 119.248 0.1 1 992 102 102 THR H H 9.003 0.01 1 993 102 102 THR HA H 5.180 0.01 1 994 102 102 THR HB H 4.390 0.01 1 995 102 102 THR HG2 H 1.060 0.01 1 996 102 102 THR CA C 59.541 0.1 1 997 102 102 THR CB C 72.032 0.1 1 998 102 102 THR CG2 C 19.980 0.1 1 999 102 102 THR N N 118.207 0.1 1 1000 103 103 ASN H H 8.009 0.01 1 1001 103 103 ASN HA H 5.540 0.01 1 1002 103 103 ASN HB2 H 2.300 0.01 2 1003 103 103 ASN HB3 H 2.560 0.01 2 1004 103 103 ASN HD21 H 7.801 0.01 2 1005 103 103 ASN HD22 H 6.931 0.01 2 1006 103 103 ASN CA C 51.657 0.1 1 1007 103 103 ASN CB C 43.597 0.1 1 1008 103 103 ASN N N 120.649 0.1 1 1009 103 103 ASN ND2 N 116.394 0.1 1 1010 104 104 PHE H H 9.329 0.01 1 1011 104 104 PHE HA H 5.830 0.01 1 1012 104 104 PHE HB2 H 3.060 0.01 2 1013 104 104 PHE HB3 H 2.840 0.01 2 1014 104 104 PHE HD1 H 6.700 0.01 3 1015 104 104 PHE HD2 H 6.700 0.01 3 1016 104 104 PHE HE1 H 7.111 0.01 3 1017 104 104 PHE HE2 H 6.970 0.01 3 1018 104 104 PHE HZ H 6.780 0.01 1 1019 104 104 PHE N N 119.949 0.1 1 1020 105 105 VAL H H 9.355 0.01 1 1021 105 105 VAL HA H 4.780 0.01 1 1022 105 105 VAL HB H 1.960 0.01 1 1023 105 105 VAL HG1 H 0.860 0.01 2 1024 105 105 VAL HG2 H 1.010 0.01 2 1025 105 105 VAL CA C 61.733 0.1 1 1026 105 105 VAL CB C 34.081 0.1 1 1027 105 105 VAL CG1 C 21.481 0.1 2 1028 105 105 VAL N N 128.093 0.1 1 1029 106 106 ARG H H 9.209 0.01 1 1030 106 106 ARG HA H 5.270 0.01 1 1031 106 106 ARG HB2 H 1.470 0.01 2 1032 106 106 ARG HB3 H 1.370 0.01 2 1033 106 106 ARG HG2 H 1.150 0.01 2 1034 106 106 ARG HG3 H 1.710 0.01 2 1035 106 106 ARG CA C 54.568 0.1 1 1036 106 106 ARG CB C 32.962 0.1 1 1037 106 106 ARG CD C 42.073 0.1 1 1038 106 106 ARG N N 127.904 0.1 1 1039 107 107 GLU H H 8.887 0.01 1 1040 107 107 GLU HA H 4.990 0.01 1 1041 107 107 GLU HB2 H 1.910 0.01 2 1042 107 107 GLU HB3 H 1.910 0.01 2 1043 107 107 GLU HG2 H 2.110 0.01 2 1044 107 107 GLU HG3 H 2.110 0.01 2 1045 107 107 GLU CA C 54.120 0.1 1 1046 107 107 GLU N N 121.713 0.1 1 1047 108 108 ILE H H 9.049 0.01 1 1048 108 108 ILE HA H 4.830 0.01 1 1049 108 108 ILE HB H 1.660 0.01 1 1050 108 108 ILE HD1 H 0.082 0.01 1 1051 108 108 ILE HG12 H 0.450 0.01 2 1052 108 108 ILE HG13 H 0.560 0.01 2 1053 108 108 ILE HG2 H 0.638 0.01 1 1054 108 108 ILE CA C 57.873 0.1 1 1055 108 108 ILE CB C 35.201 0.1 1 1056 108 108 ILE CD1 C 10.747 0.1 1 1057 108 108 ILE CG1 C 25.422 0.1 1 1058 108 108 ILE CG2 C 16.794 0.1 1 1059 108 108 ILE N N 124.549 0.1 1 1060 109 109 LYS H H 9.115 0.01 1 1061 109 109 LYS HA H 4.510 0.01 1 1062 109 109 LYS HB2 H 1.480 0.01 2 1063 109 109 LYS HB3 H 1.610 0.01 2 1064 109 109 LYS HD2 H 1.540 0.01 2 1065 109 109 LYS HD3 H 1.540 0.01 2 1066 109 109 LYS HE2 H 2.810 0.01 2 1067 109 109 LYS HE3 H 2.810 0.01 2 1068 109 109 LYS HG2 H 1.190 0.01 2 1069 109 109 LYS HG3 H 1.190 0.01 2 1070 109 109 LYS CA C 54.953 0.1 1 1071 109 109 LYS CB C 34.861 0.1 1 1072 109 109 LYS CD C 28.841 0.1 1 1073 109 109 LYS CE C 41.883 0.1 1 1074 109 109 LYS CG C 24.199 0.1 1 1075 109 109 LYS N N 129.215 0.1 1 1076 110 110 ASP H H 9.489 0.01 1 1077 110 110 ASP HA H 4.210 0.01 1 1078 110 110 ASP HB2 H 2.880 0.01 2 1079 110 110 ASP HB3 H 2.540 0.01 2 1080 110 110 ASP CA C 55.240 0.1 1 1081 110 110 ASP CB C 39.679 0.1 1 1082 111 111 GLY H H 8.309 0.01 1 1083 111 111 GLY HA2 H 3.590 0.01 2 1084 111 111 GLY HA3 H 4.140 0.01 2 1085 111 111 GLY CA C 45.634 0.1 1 1086 111 111 GLY N N 103.549 0.1 1 1087 112 112 LYS H H 7.919 0.01 1 1088 112 112 LYS HA H 5.030 0.01 1 1089 112 112 LYS HB2 H 1.830 0.01 2 1090 112 112 LYS HB3 H 2.070 0.01 2 1091 112 112 LYS HD2 H 1.641 0.01 2 1092 112 112 LYS HD3 H 1.641 0.01 2 1093 112 112 LYS HE2 H 2.950 0.01 2 1094 112 112 LYS HE3 H 2.950 0.01 2 1095 112 112 LYS HG2 H 1.512 0.01 2 1096 112 112 LYS HG3 H 1.512 0.01 2 1097 112 112 LYS CA C 54.904 0.1 1 1098 112 112 LYS CB C 34.305 0.1 1 1099 112 112 LYS CD C 28.902 0.1 1 1100 112 112 LYS CE C 42.282 0.1 1 1101 112 112 LYS CG C 25.453 0.1 1 1102 112 112 LYS N N 121.949 0.1 1 1103 113 113 MET H H 8.209 0.01 1 1104 113 113 MET HA H 4.870 0.01 1 1105 113 113 MET HB2 H 1.740 0.01 2 1106 113 113 MET HB3 H 1.070 0.01 2 1107 113 113 MET CA C 54.568 0.1 1 1108 113 113 MET CB C 33.298 0.1 1 1109 113 113 MET N N 122.749 0.1 1 1110 114 114 VAL H H 9.208 0.01 1 1111 114 114 VAL HA H 4.430 0.01 1 1112 114 114 VAL HB H 1.730 0.01 1 1113 114 114 VAL HG1 H 0.530 0.01 2 1114 114 114 VAL HG2 H 0.670 0.01 2 1115 114 114 VAL CA C 60.278 0.1 1 1116 114 114 VAL CB C 33.074 0.1 1 1117 114 114 VAL CG2 C 20.833 0.1 2 1118 114 114 VAL N N 129.493 0.1 1 1119 115 115 MET H H 9.733 0.01 1 1120 115 115 MET HA H 5.700 0.01 1 1121 115 115 MET HB2 H 1.470 0.01 2 1122 115 115 MET HB3 H 2.210 0.01 2 1123 115 115 MET HE H 1.980 0.01 1 1124 115 115 MET HG2 H 2.010 0.01 2 1125 115 115 MET HG3 H 2.010 0.01 2 1126 115 115 MET CA C 53.113 0.1 1 1127 115 115 MET CB C 37.328 0.1 1 1128 115 115 MET CG C 31.934 0.1 1 1129 115 115 MET N N 131.093 0.1 1 1130 116 116 THR H H 9.350 0.01 1 1131 116 116 THR HA H 4.980 0.01 1 1132 116 116 THR HB H 3.840 0.01 1 1133 116 116 THR HG2 H 1.020 0.01 1 1134 116 116 THR CA C 62.600 0.1 1 1135 116 116 THR CB C 69.346 0.1 1 1136 116 116 THR CG2 C 21.167 0.1 1 1137 116 116 THR N N 125.693 0.1 1 1138 117 117 LEU H H 9.869 0.01 1 1139 117 117 LEU HA H 5.210 0.01 1 1140 117 117 LEU HB2 H 0.810 0.01 2 1141 117 117 LEU HB3 H 0.980 0.01 2 1142 117 117 LEU HD1 H 0.554 0.01 2 1143 117 117 LEU HD2 H 0.329 0.01 2 1144 117 117 LEU HG H 1.170 0.01 1 1145 117 117 LEU CA C 55.912 0.1 1 1146 117 117 LEU CB C 41.470 0.1 1 1147 117 117 LEU CD1 C 26.861 0.1 2 1148 117 117 LEU CD2 C 28.202 0.1 2 1149 117 117 LEU CG C 28.000 0.1 1 1150 117 117 LEU N N 133.349 0.1 1 1151 118 118 THR H H 8.815 0.01 1 1152 118 118 THR HA H 5.390 0.01 1 1153 118 118 THR HB H 3.940 0.01 1 1154 118 118 THR HG1 H 6.130 0.01 1 1155 118 118 THR HG2 H 1.140 0.01 1 1156 118 118 THR CA C 62.504 0.1 1 1157 118 118 THR CB C 70.913 0.1 1 1158 118 118 THR CG2 C 21.272 0.1 1 1159 118 118 THR N N 117.341 0.1 1 1160 119 119 PHE H H 9.749 0.01 1 1161 119 119 PHE HA H 5.140 0.01 1 1162 119 119 PHE HB2 H 3.120 0.01 2 1163 119 119 PHE HB3 H 2.810 0.01 2 1164 119 119 PHE HD1 H 7.280 0.01 3 1165 119 119 PHE HD2 H 7.280 0.01 3 1166 119 119 PHE HE1 H 7.381 0.01 3 1167 119 119 PHE HE2 H 7.240 0.01 3 1168 119 119 PHE HZ H 7.340 0.01 1 1169 119 119 PHE CA C 57.703 0.1 1 1170 119 119 PHE CB C 41.022 0.1 1 1171 119 119 PHE N N 132.349 0.1 1 1172 120 120 GLY H H 9.111 0.01 1 1173 120 120 GLY HA2 H 3.370 0.01 2 1174 120 120 GLY HA3 H 3.620 0.01 2 1175 120 120 GLY CA C 47.291 0.1 1 1176 120 120 GLY N N 120.098 0.1 1 1177 121 121 ASP H H 8.613 0.01 1 1178 121 121 ASP HA H 4.540 0.01 1 1179 121 121 ASP HB2 H 2.640 0.01 2 1180 121 121 ASP HB3 H 2.640 0.01 2 1181 121 121 ASP CA C 53.785 0.1 1 1182 121 121 ASP CB C 40.686 0.1 1 1183 121 121 ASP N N 126.905 0.1 1 1184 122 122 VAL H H 8.468 0.01 1 1185 122 122 VAL HA H 4.020 0.01 1 1186 122 122 VAL HB H 2.410 0.01 1 1187 122 122 VAL HG1 H 0.880 0.01 2 1188 122 122 VAL HG2 H 0.990 0.01 2 1189 122 122 VAL CA C 63.651 0.1 1 1190 122 122 VAL CB C 31.934 0.1 1 1191 122 122 VAL CG1 C 21.376 0.1 2 1192 122 122 VAL N N 124.308 0.1 1 1193 123 123 VAL H H 8.359 0.01 1 1194 123 123 VAL HA H 5.320 0.01 1 1195 123 123 VAL HB H 1.760 0.01 1 1196 123 123 VAL HG1 H 0.740 0.01 2 1197 123 123 VAL HG2 H 0.850 0.01 2 1198 123 123 VAL CA C 60.401 0.1 1 1199 123 123 VAL CB C 34.861 0.1 1 1200 123 123 VAL CG1 C 21.272 0.1 2 1201 123 123 VAL N N 128.049 0.1 1 1202 124 124 ALA H H 9.699 0.01 1 1203 124 124 ALA HA H 5.190 0.01 1 1204 124 124 ALA HB H 1.350 0.01 1 1205 124 124 ALA CA C 49.866 0.1 1 1206 124 124 ALA CB C 22.550 0.1 1 1207 124 124 ALA N N 131.349 0.1 1 1208 125 125 VAL H H 8.585 0.01 1 1209 125 125 VAL HA H 5.070 0.01 1 1210 125 125 VAL HB H 1.740 0.01 1 1211 125 125 VAL HG1 H 0.640 0.01 2 1212 125 125 VAL HG2 H 0.810 0.01 2 1213 125 125 VAL CA C 61.173 0.1 1 1214 125 125 VAL CB C 35.425 0.1 1 1215 125 125 VAL CG1 C 21.376 0.1 2 1216 125 125 VAL N N 119.458 0.1 1 1217 126 126 ARG H H 9.555 0.01 1 1218 126 126 ARG HA H 4.810 0.01 1 1219 126 126 ARG HB2 H 1.370 0.01 2 1220 126 126 ARG HB3 H 1.370 0.01 2 1221 126 126 ARG HG2 H 1.080 0.01 2 1222 126 126 ARG HG3 H 1.680 0.01 2 1223 126 126 ARG CA C 54.344 0.1 1 1224 126 126 ARG CB C 34.865 0.1 1 1225 126 126 ARG CD C 41.969 0.1 1 1226 126 126 ARG CG C 28.589 0.1 1 1227 126 126 ARG N N 129.437 0.1 1 1228 127 127 HIS H H 8.633 0.01 1 1229 127 127 HIS HA H 5.270 0.01 1 1230 127 127 HIS HB2 H 2.770 0.01 2 1231 127 127 HIS HB3 H 2.870 0.01 2 1232 127 127 HIS HD2 H 6.980 0.01 1 1233 127 127 HIS HE1 H 7.881 0.01 1 1234 127 127 HIS CA C 55.576 0.1 1 1235 127 127 HIS CB C 33.969 0.1 1 1236 127 127 HIS N N 122.661 0.1 1 1237 128 128 TYR H H 9.459 0.01 1 1238 128 128 TYR HA H 5.430 0.01 1 1239 128 128 TYR HB2 H 2.790 0.01 2 1240 128 128 TYR HB3 H 3.020 0.01 2 1241 128 128 TYR HD1 H 6.720 0.01 3 1242 128 128 TYR HD2 H 6.720 0.01 3 1243 128 128 TYR HE1 H 6.521 0.01 3 1244 128 128 TYR HE2 H 6.380 0.01 3 1245 128 128 TYR CA C 56.387 0.1 1 1246 128 128 TYR CB C 42.701 0.1 1 1247 128 128 TYR N N 121.149 0.1 1 1248 129 129 GLU H H 9.174 0.01 1 1249 129 129 GLU HA H 5.380 0.01 1 1250 129 129 GLU HB2 H 1.980 0.01 2 1251 129 129 GLU HB3 H 2.100 0.01 2 1252 129 129 GLU HG2 H 2.314 0.01 2 1253 129 129 GLU HG3 H 2.314 0.01 2 1254 129 129 GLU CA C 53.561 0.1 1 1255 129 129 GLU CB C 33.633 0.1 1 1256 129 129 GLU CG C 36.533 0.1 1 1257 129 129 GLU N N 120.739 0.1 1 1258 130 130 LYS H H 9.221 0.01 1 1259 130 130 LYS HA H 4.060 0.01 1 1260 130 130 LYS HB2 H 1.410 0.01 2 1261 130 130 LYS HB3 H 1.410 0.01 2 1262 130 130 LYS HD2 H 1.180 0.01 2 1263 130 130 LYS HD3 H 1.270 0.01 2 1264 130 130 LYS HE2 H 2.430 0.01 2 1265 130 130 LYS HE3 H 2.660 0.01 2 1266 130 130 LYS HG2 H 0.340 0.01 2 1267 130 130 LYS HG3 H 0.770 0.01 2 1268 130 130 LYS CA C 57.367 0.1 1 1269 130 130 LYS CB C 32.514 0.1 1 1270 130 130 LYS CD C 29.159 0.1 1 1271 130 130 LYS CE C 42.282 0.1 1 1272 130 130 LYS CG C 25.347 0.1 1 1273 130 130 LYS N N 125.849 0.1 1 1274 131 131 ALA H H 8.479 0.01 1 1275 131 131 ALA HA H 4.060 0.01 1 1276 131 131 ALA HB H 1.120 0.01 1 1277 131 131 ALA CA C 53.089 0.1 1 1278 131 131 ALA CB C 20.540 0.1 1 1279 131 131 ALA N N 134.049 0.1 1 stop_ save_