data_18269 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of N-Terminal domain of human Conserved Dopamine Neurotrophic Factor (CDNF) ; _BMRB_accession_number 18269 _BMRB_flat_file_name bmr18269.str _Entry_type original _Submission_date 2012-02-15 _Accession_date 2012-02-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Have been shown to protect dopaminergic neurons in vitro and in animal models of Parkinson s disease. Recombinant CDNF- C (amino acids 1-105), produced in bacteria. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cristiane Latge . . 2 Katia Cabral M.S. . 3 Debora Foguel . . 4 Pires 'Jose Ricardo' M. . 5 Almeida Marcius S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 574 "13C chemical shifts" 360 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-13 original author . stop_ _Original_release_date 2012-06-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H-, (13)C- and (15)N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22528768 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Latge Cristiane . . 2 Cabral Katia M.S. . 3 Almeida Marcius S. . 4 Foguel Debora . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2012 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title '1H-, 13C- and 15N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF).' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Latge Cristiane . . 2 Cabral Katia M.S. . 3 Almeida Marcius S. . 4 Foguel Debora . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal domain of human CDNF' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminal domain of human CDNF' $CDNF 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_CDNF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11965.022 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; QEAGGRPGADCEVCKEFLNR FYKSLIDRGVNFSLDTIEKE LISFCLDTKGKENRLCYYLG ATKDAATKILSEVTRPMSVH MPAMKICEKLKKLDSQICEL KYEKT ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 GLU 3 ALA 4 GLY 5 GLY 6 ARG 7 PRO 8 GLY 9 ALA 10 ASP 11 CYS 12 GLU 13 VAL 14 CYS 15 LYS 16 GLU 17 PHE 18 LEU 19 ASN 20 ARG 21 PHE 22 TYR 23 LYS 24 SER 25 LEU 26 ILE 27 ASP 28 ARG 29 GLY 30 VAL 31 ASN 32 PHE 33 SER 34 LEU 35 ASP 36 THR 37 ILE 38 GLU 39 LYS 40 GLU 41 LEU 42 ILE 43 SER 44 PHE 45 CYS 46 LEU 47 ASP 48 THR 49 LYS 50 GLY 51 LYS 52 GLU 53 ASN 54 ARG 55 LEU 56 CYS 57 TYR 58 TYR 59 LEU 60 GLY 61 ALA 62 THR 63 LYS 64 ASP 65 ALA 66 ALA 67 THR 68 LYS 69 ILE 70 LEU 71 SER 72 GLU 73 VAL 74 THR 75 ARG 76 PRO 77 MET 78 SER 79 VAL 80 HIS 81 MET 82 PRO 83 ALA 84 MET 85 LYS 86 ILE 87 CYS 88 GLU 89 LYS 90 LEU 91 LYS 92 LYS 93 LEU 94 ASP 95 SER 96 GLN 97 ILE 98 CYS 99 GLU 100 LEU 101 LYS 102 TYR 103 GLU 104 LYS 105 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 19164 CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR 100.00 161 100.00 100.00 9.06e-70 PDB 2LPN "Solution Structure Of N-terminal Domain Of Human Conserved Dopamine Neurotrophic Factor (cdnf)" 100.00 105 100.00 100.00 7.30e-70 PDB 2W50 "N-Terminal Domain Of Human Conserved Dopamine Neurotrophic Factor (Cdnf)" 95.24 102 100.00 100.00 1.14e-65 PDB 4BIT "Solution Structure Of Cerebral Dopamine Neurotrophic Factor (cdnf)" 99.05 161 100.00 100.00 7.75e-69 DBJ BAG62825 "unnamed protein product [Homo sapiens]" 100.00 187 100.00 100.00 1.41e-69 GB AAI33043 "Arginine-rich, mutated in early stage tumors-like 1 [Homo sapiens]" 100.00 187 100.00 100.00 1.41e-69 GB AAI33045 "Arginine-rich, mutated in early stage tumors-like 1 [Homo sapiens]" 100.00 187 100.00 100.00 1.41e-69 GB AIC53868 "CDNF, partial [synthetic construct]" 100.00 187 100.00 100.00 1.41e-69 GB EAW86264 "arginine-rich, mutated in early stage tumors-like 1, isoform CRA_b [Homo sapiens]" 100.00 187 100.00 100.00 1.41e-69 GB EHH18900 "Conserved dopamine neurotrophic factor [Macaca mulatta]" 100.00 187 100.00 100.00 1.28e-69 REF NP_001025125 "cerebral dopamine neurotrophic factor precursor [Homo sapiens]" 100.00 187 100.00 100.00 1.41e-69 REF NP_001180755 "cerebral dopamine neurotrophic factor precursor [Macaca mulatta]" 100.00 187 100.00 100.00 1.28e-69 REF XP_002820588 "PREDICTED: cerebral dopamine neurotrophic factor isoform X1 [Pongo abelii]" 100.00 187 99.05 100.00 4.63e-69 REF XP_003257694 "PREDICTED: cerebral dopamine neurotrophic factor [Nomascus leucogenys]" 100.00 187 98.10 100.00 2.45e-68 REF XP_003806807 "PREDICTED: cerebral dopamine neurotrophic factor [Pan paniscus]" 100.00 187 98.10 98.10 1.41e-67 SP Q49AH0 "RecName: Full=Cerebral dopamine neurotrophic factor; AltName: Full=ARMET-like protein 1; AltName: Full=Conserved dopamine neuro" 100.00 187 100.00 100.00 1.41e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CDNF 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 _Details $CDNF 'recombinant technology' . Escherichia coli 'Rosetta Gami B (DE3)' pET25b 'Synthetic cDNA optimized for expression in E. coli.' 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 $CDNF 0.7 mM '[U-100% 13C; U-100% 15N]' D2O 10 % [U-2H] 'sodium azide' 5 mM 'natural abundance' MES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'peak picking' refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2. loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version 1.1. loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details 'Water refinement using RECOORD protocol.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details 'Using xyz-axis gradient 5 mm triple resonance probe.' 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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Sample stable for at least several months.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 175 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details '1H chemical shifts were referenced to internal 3- (trimethyl-silyl)-1-propanesulfonic acid, sodium salt (DSS). The 13C and 15N chemical shifts were referenced indirectly to DSS.' 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '2D 1H-13C HSQC' 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 'N-terminal domain of human CDNF' _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 GLN HA H 4.398 0.03 1 2 1 1 GLN HB2 H 2.091 0.03 2 3 1 1 GLN HB3 H 2.558 0.03 2 4 1 1 GLN HG2 H 2.451 0.03 2 5 1 1 GLN CA C 59.469 0.40 1 6 1 1 GLN CB C 27.865 0.40 1 7 1 1 GLN CG C 31.968 0.40 1 8 2 2 GLU H H 8.621 0.03 1 9 2 2 GLU HA H 4.294 0.03 1 10 2 2 GLU HB2 H 1.902 0.03 2 11 2 2 GLU HB3 H 2.076 0.03 2 12 2 2 GLU HG2 H 2.287 0.03 2 13 2 2 GLU CA C 56.517 0.40 1 14 2 2 GLU CB C 30.151 0.40 1 15 2 2 GLU CG C 36.096 0.40 1 16 2 2 GLU N N 121.590 0.40 1 17 3 3 ALA H H 8.598 0.03 1 18 3 3 ALA HA H 4.366 0.03 1 19 3 3 ALA HB H 1.427 0.03 1 20 3 3 ALA CA C 52.657 0.40 1 21 3 3 ALA CB C 18.947 0.40 1 22 3 3 ALA N N 125.815 0.40 1 23 4 4 GLY H H 8.487 0.03 1 24 4 4 GLY HA2 H 3.977 0.03 2 25 4 4 GLY CA C 45.137 0.40 1 26 4 4 GLY N N 108.386 0.40 1 27 5 5 GLY H H 8.274 0.03 1 28 5 5 GLY HA2 H 3.979 0.03 2 29 5 5 GLY CA C 44.754 0.40 1 30 5 5 GLY N N 108.367 0.40 1 31 6 6 ARG H H 8.297 0.03 1 32 6 6 ARG HA H 4.675 0.03 1 33 6 6 ARG HB2 H 1.771 0.03 2 34 6 6 ARG HB3 H 1.888 0.03 2 35 6 6 ARG HG2 H 1.697 0.03 2 36 6 6 ARG HD2 H 3.245 0.03 2 37 6 6 ARG HE H 7.309 0.03 1 38 6 6 ARG CA C 53.881 0.40 1 39 6 6 ARG CB C 30.135 0.40 1 40 6 6 ARG CG C 26.816 0.40 1 41 6 6 ARG CD C 43.242 0.40 1 42 6 6 ARG N N 121.577 0.40 1 43 6 6 ARG NE N 84.683 0.40 1 44 7 7 PRO HA H 4.491 0.03 1 45 7 7 PRO HB2 H 2.356 0.03 2 46 7 7 PRO HB3 H 1.979 0.03 2 47 7 7 PRO HG2 H 2.057 0.03 2 48 7 7 PRO HG3 H 2.096 0.03 2 49 7 7 PRO HD2 H 3.694 0.03 2 50 7 7 PRO HD3 H 3.872 0.03 2 51 7 7 PRO CA C 63.353 0.40 1 52 7 7 PRO CB C 32.047 0.40 1 53 7 7 PRO CG C 27.363 0.40 1 54 7 7 PRO CD C 50.593 0.40 1 55 8 8 GLY H H 8.660 0.03 1 56 8 8 GLY HA2 H 3.977 0.03 2 57 8 8 GLY HA3 H 4.058 0.03 2 58 8 8 GLY CA C 45.088 0.40 1 59 8 8 GLY N N 109.658 0.40 1 60 9 9 ALA H H 8.200 0.03 1 61 9 9 ALA HA H 4.440 0.03 1 62 9 9 ALA HB H 1.428 0.03 1 63 9 9 ALA CA C 51.797 0.40 1 64 9 9 ALA CB C 19.279 0.40 1 65 9 9 ALA N N 123.995 0.40 1 66 10 10 ASP H H 8.290 0.03 1 67 10 10 ASP HA H 4.657 0.03 1 68 10 10 ASP HB2 H 2.634 0.03 2 69 10 10 ASP HB3 H 2.751 0.03 2 70 10 10 ASP CA C 54.540 0.40 1 71 10 10 ASP CB C 41.506 0.40 1 72 10 10 ASP N N 119.834 0.40 1 73 11 11 CYS HA H 4.630 0.03 1 74 11 11 CYS HB2 H 3.311 0.03 2 75 11 11 CYS CA C 54.758 0.40 1 76 11 11 CYS CB C 40.460 0.40 1 77 12 12 GLU HA H 3.964 0.03 1 78 12 12 GLU HB2 H 2.217 0.03 2 79 12 12 GLU HB3 H 2.494 0.03 2 80 12 12 GLU HG2 H 2.337 0.03 2 81 12 12 GLU HG3 H 2.449 0.03 2 82 12 12 GLU CA C 61.377 0.40 1 83 12 12 GLU CB C 31.255 0.40 1 84 12 12 GLU CG C 36.735 0.40 1 85 13 13 VAL H H 7.040 0.03 1 86 13 13 VAL HA H 3.746 0.03 1 87 13 13 VAL HB H 1.667 0.03 1 88 13 13 VAL HG1 H 0.697 0.03 2 89 13 13 VAL HG2 H -0.089 0.03 2 90 13 13 VAL CA C 65.046 0.40 1 91 13 13 VAL CB C 31.218 0.40 1 92 13 13 VAL CG1 C 20.582 0.40 1 93 13 13 VAL CG2 C 21.076 0.40 1 94 13 13 VAL N N 117.224 0.40 1 95 14 14 CYS HA H 4.085 0.03 1 96 14 14 CYS HB2 H 2.907 0.03 2 97 14 14 CYS HB3 H 3.208 0.03 2 98 14 14 CYS CA C 61.445 0.40 1 99 14 14 CYS CB C 41.219 0.40 1 100 15 15 LYS HA H 4.059 0.03 1 101 15 15 LYS HB2 H 1.962 0.03 2 102 15 15 LYS HB3 H 1.914 0.03 2 103 15 15 LYS HG2 H 1.517 0.03 2 104 15 15 LYS HG3 H 1.662 0.03 2 105 15 15 LYS HD2 H 1.750 0.03 2 106 15 15 LYS HE3 H 3.053 0.03 2 107 15 15 LYS CA C 57.571 0.40 1 108 15 15 LYS CB C 32.250 0.40 1 109 15 15 LYS CG C 25.104 0.40 1 110 15 15 LYS CD C 28.898 0.40 1 111 15 15 LYS CE C 42.131 0.40 1 112 16 16 GLU H H 8.098 0.03 1 113 16 16 GLU HA H 4.331 0.03 1 114 16 16 GLU HB2 H 2.570 0.03 2 115 16 16 GLU HG2 H 2.560 0.03 2 116 16 16 GLU HG3 H 2.700 0.03 2 117 16 16 GLU CA C 59.174 0.40 1 118 16 16 GLU CB C 29.406 0.40 1 119 16 16 GLU CG C 35.900 0.40 1 120 17 17 PHE H H 9.126 0.03 1 121 17 17 PHE HA H 4.315 0.03 1 122 17 17 PHE HB2 H 3.074 0.03 2 123 17 17 PHE HB3 H 3.245 0.03 2 124 17 17 PHE HD1 H 7.059 0.03 3 125 17 17 PHE HD2 H 7.059 0.03 3 126 17 17 PHE HE1 H 7.052 0.03 3 127 17 17 PHE HE2 H 7.052 0.03 3 128 17 17 PHE HZ H 6.898 0.03 1 129 17 17 PHE CA C 62.514 0.40 1 130 17 17 PHE CB C 40.513 0.40 1 131 17 17 PHE CD2 C 131.415 0.40 3 132 17 17 PHE CE2 C 135.823 0.40 3 133 17 17 PHE CZ C 128.916 0.40 1 134 17 17 PHE N N 120.745 0.40 1 135 18 18 LEU H H 8.505 0.03 1 136 18 18 LEU HA H 4.143 0.03 1 137 18 18 LEU HB2 H 1.255 0.03 2 138 18 18 LEU HB3 H 2.188 0.03 2 139 18 18 LEU HG H 2.304 0.03 1 140 18 18 LEU HD1 H 1.031 0.03 2 141 18 18 LEU HD2 H 0.906 0.03 2 142 18 18 LEU CA C 57.877 0.40 1 143 18 18 LEU CB C 40.952 0.40 1 144 18 18 LEU CG C 27.353 0.40 1 145 18 18 LEU CD1 C 26.816 0.40 1 146 18 18 LEU CD2 C 21.788 0.40 1 147 18 18 LEU N N 115.787 0.40 1 148 19 19 ASN H H 8.405 0.03 1 149 19 19 ASN HA H 4.876 0.03 1 150 19 19 ASN HB2 H 2.882 0.03 2 151 19 19 ASN HB3 H 3.120 0.03 2 152 19 19 ASN HD21 H 7.045 0.03 2 153 19 19 ASN HD22 H 7.691 0.03 2 154 19 19 ASN CA C 56.474 0.40 1 155 19 19 ASN CB C 38.328 0.40 1 156 19 19 ASN N N 117.635 0.40 1 157 19 19 ASN ND2 N 112.543 0.40 1 158 20 20 ARG H H 8.325 0.03 1 159 20 20 ARG HA H 4.117 0.03 1 160 20 20 ARG HB2 H 2.137 0.03 2 161 20 20 ARG HG2 H 1.788 0.03 2 162 20 20 ARG HG3 H 2.007 0.03 2 163 20 20 ARG HD2 H 3.448 0.03 2 164 20 20 ARG HD3 H 3.494 0.03 2 165 20 20 ARG HE H 7.544 0.03 1 166 20 20 ARG CA C 60.289 0.40 1 167 20 20 ARG CB C 30.455 0.40 1 168 20 20 ARG CG C 29.257 0.40 1 169 20 20 ARG CD C 43.595 0.40 1 170 20 20 ARG N N 122.851 0.40 1 171 20 20 ARG NE N 83.435 0.40 1 172 21 21 PHE H H 8.438 0.03 1 173 21 21 PHE HA H 3.280 0.03 1 174 21 21 PHE HB2 H 2.256 0.03 2 175 21 21 PHE HB3 H 2.632 0.03 2 176 21 21 PHE HD1 H 6.174 0.03 3 177 21 21 PHE HD2 H 6.174 0.03 3 178 21 21 PHE HE1 H 6.879 0.03 3 179 21 21 PHE HE2 H 6.879 0.03 3 180 21 21 PHE HZ H 7.144 0.03 1 181 21 21 PHE CA C 59.011 0.40 1 182 21 21 PHE CB C 38.011 0.40 1 183 21 21 PHE CD2 C 130.816 0.40 3 184 21 21 PHE CE2 C 131.364 0.40 3 185 21 21 PHE CZ C 129.200 0.40 1 186 21 21 PHE N N 121.774 0.40 1 187 22 22 TYR H H 8.708 0.03 1 188 22 22 TYR HA H 3.789 0.03 1 189 22 22 TYR HB2 H 3.095 0.03 2 190 22 22 TYR HB3 H 3.283 0.03 2 191 22 22 TYR HD1 H 7.153 0.03 3 192 22 22 TYR HD2 H 7.153 0.03 3 193 22 22 TYR HE1 H 6.894 0.03 3 194 22 22 TYR HE2 H 6.894 0.03 3 195 22 22 TYR CA C 61.652 0.40 1 196 22 22 TYR CB C 38.274 0.40 1 197 22 22 TYR CD1 C 132.191 0.40 3 198 22 22 TYR CE1 C 118.122 0.40 3 199 22 22 TYR N N 119.937 0.40 1 200 23 23 LYS H H 7.928 0.03 1 201 23 23 LYS HA H 3.859 0.03 1 202 23 23 LYS HB2 H 1.931 0.03 2 203 23 23 LYS HG2 H 1.482 0.03 2 204 23 23 LYS HG3 H 1.584 0.03 2 205 23 23 LYS HD2 H 1.669 0.03 2 206 23 23 LYS HD3 H 1.768 0.03 2 207 23 23 LYS HE2 H 3.005 0.03 2 208 23 23 LYS CA C 59.143 0.40 1 209 23 23 LYS CB C 32.217 0.40 1 210 23 23 LYS CG C 25.142 0.40 1 211 23 23 LYS CD C 29.020 0.40 1 212 23 23 LYS CE C 42.093 0.40 1 213 23 23 LYS N N 116.431 0.40 1 214 24 24 SER H H 7.665 0.03 1 215 24 24 SER HA H 4.325 0.03 1 216 24 24 SER HB2 H 4.016 0.03 2 217 24 24 SER HB3 H 4.053 0.03 2 218 24 24 SER CA C 61.016 0.40 1 219 24 24 SER CB C 62.837 0.40 1 220 24 24 SER N N 113.888 0.40 1 221 25 25 LEU H H 7.573 0.03 1 222 25 25 LEU HA H 3.679 0.03 1 223 25 25 LEU HB2 H 0.889 0.03 2 224 25 25 LEU HB3 H 1.858 0.03 2 225 25 25 LEU HG H 0.837 0.03 1 226 25 25 LEU HD1 H 0.214 0.03 2 227 25 25 LEU HD2 H -0.197 0.03 2 228 25 25 LEU CA C 57.505 0.40 1 229 25 25 LEU CB C 41.902 0.40 1 230 25 25 LEU CG C 25.389 0.40 1 231 25 25 LEU CD1 C 21.749 0.40 1 232 25 25 LEU CD2 C 25.482 0.40 1 233 25 25 LEU N N 119.663 0.40 1 234 26 26 ILE H H 8.094 0.03 1 235 26 26 ILE HA H 3.856 0.03 1 236 26 26 ILE HB H 1.964 0.03 1 237 26 26 ILE HG12 H 1.202 0.03 2 238 26 26 ILE HG13 H 1.581 0.03 2 239 26 26 ILE HG2 H 0.923 0.03 1 240 26 26 ILE HD1 H 0.722 0.03 1 241 26 26 ILE CA C 63.549 0.40 1 242 26 26 ILE CB C 37.305 0.40 1 243 26 26 ILE CG1 C 28.202 0.40 1 244 26 26 ILE CG2 C 16.944 0.40 1 245 26 26 ILE CD1 C 11.650 0.40 1 246 26 26 ILE N N 119.781 0.40 1 247 27 27 ASP H H 9.091 0.03 1 248 27 27 ASP HA H 4.376 0.03 1 249 27 27 ASP HB2 H 2.663 0.03 2 250 27 27 ASP HB3 H 2.858 0.03 2 251 27 27 ASP CA C 57.020 0.40 1 252 27 27 ASP CB C 40.080 0.40 1 253 27 27 ASP N N 122.421 0.40 1 254 28 28 ARG H H 7.587 0.03 1 255 28 28 ARG HA H 4.305 0.03 1 256 28 28 ARG HB2 H 1.769 0.03 2 257 28 28 ARG HB3 H 2.010 0.03 2 258 28 28 ARG HG2 H 1.955 0.03 2 259 28 28 ARG HD2 H 3.238 0.03 2 260 28 28 ARG HD3 H 3.287 0.03 2 261 28 28 ARG HE H 6.621 0.03 1 262 28 28 ARG CA C 56.498 0.40 1 263 28 28 ARG CB C 31.613 0.40 1 264 28 28 ARG CG C 28.481 0.40 1 265 28 28 ARG CD C 43.719 0.40 1 266 28 28 ARG N N 115.349 0.40 1 267 28 28 ARG NE N 84.884 0.40 1 268 29 29 GLY H H 7.909 0.03 1 269 29 29 GLY HA2 H 3.916 0.03 2 270 29 29 GLY HA3 H 3.990 0.03 2 271 29 29 GLY CA C 46.661 0.40 1 272 29 29 GLY N N 109.999 0.40 1 273 30 30 VAL H H 7.701 0.03 1 274 30 30 VAL HA H 3.759 0.03 1 275 30 30 VAL HB H 1.739 0.03 1 276 30 30 VAL HG1 H 0.816 0.03 2 277 30 30 VAL HG2 H 0.787 0.03 2 278 30 30 VAL CA C 62.470 0.40 1 279 30 30 VAL CB C 32.326 0.40 1 280 30 30 VAL CG1 C 21.760 0.40 1 281 30 30 VAL CG2 C 21.930 0.40 1 282 30 30 VAL N N 118.740 0.40 1 283 31 31 ASN H H 8.498 0.03 1 284 31 31 ASN HA H 4.713 0.03 1 285 31 31 ASN HB2 H 2.852 0.03 2 286 31 31 ASN HB3 H 2.879 0.03 2 287 31 31 ASN HD21 H 7.068 0.03 2 288 31 31 ASN HD22 H 7.700 0.03 2 289 31 31 ASN CA C 53.488 0.40 1 290 31 31 ASN CB C 39.211 0.40 1 291 31 31 ASN N N 123.250 0.40 1 292 31 31 ASN ND2 N 113.240 0.40 1 293 32 32 PHE H H 8.783 0.03 1 294 32 32 PHE HA H 4.138 0.03 1 295 32 32 PHE HB2 H 3.147 0.03 2 296 32 32 PHE HB3 H 3.280 0.03 2 297 32 32 PHE HD1 H 7.332 0.03 3 298 32 32 PHE HD2 H 7.332 0.03 3 299 32 32 PHE HE1 H 7.014 0.03 3 300 32 32 PHE HE2 H 7.014 0.03 3 301 32 32 PHE CA C 58.647 0.40 1 302 32 32 PHE CB C 36.779 0.40 1 303 32 32 PHE CD1 C 131.085 0.40 3 304 32 32 PHE CE1 C 131.093 0.40 3 305 32 32 PHE N N 126.076 0.40 1 306 33 33 SER H H 7.699 0.03 1 307 33 33 SER HA H 4.736 0.03 1 308 33 33 SER HB2 H 3.976 0.03 2 309 33 33 SER HB3 H 4.128 0.03 2 310 33 33 SER CA C 56.745 0.40 1 311 33 33 SER CB C 64.899 0.40 1 312 33 33 SER N N 115.958 0.40 1 313 34 34 LEU H H 8.935 0.03 1 314 34 34 LEU HA H 3.853 0.03 1 315 34 34 LEU HB2 H 1.684 0.03 2 316 34 34 LEU HB3 H 1.786 0.03 2 317 34 34 LEU HG H 1.796 0.03 1 318 34 34 LEU HD1 H 0.994 0.03 2 319 34 34 LEU HD2 H 0.932 0.03 2 320 34 34 LEU CA C 59.671 0.40 1 321 34 34 LEU CB C 41.546 0.40 1 322 34 34 LEU CG C 27.286 0.40 1 323 34 34 LEU CD1 C 24.862 0.40 1 324 34 34 LEU CD2 C 23.839 0.40 1 325 34 34 LEU N N 124.359 0.40 1 326 35 35 ASP H H 8.575 0.03 1 327 35 35 ASP HA H 4.378 0.03 1 328 35 35 ASP HB2 H 2.664 0.03 2 329 35 35 ASP CA C 56.858 0.40 1 330 35 35 ASP CB C 40.160 0.40 1 331 35 35 ASP N N 115.345 0.40 1 332 36 36 THR H H 7.593 0.03 1 333 36 36 THR HA H 4.015 0.03 1 334 36 36 THR HB H 4.284 0.03 1 335 36 36 THR HG2 H 1.286 0.03 1 336 36 36 THR CA C 66.069 0.40 1 337 36 36 THR CB C 68.780 0.40 1 338 36 36 THR CG2 C 23.153 0.40 1 339 36 36 THR N N 116.789 0.40 1 340 37 37 ILE H H 8.436 0.03 1 341 37 37 ILE HA H 3.369 0.03 1 342 37 37 ILE HB H 1.770 0.03 1 343 37 37 ILE HG12 H 0.569 0.03 2 344 37 37 ILE HG13 H 1.580 0.03 2 345 37 37 ILE HG2 H 0.926 0.03 1 346 37 37 ILE HD1 H 0.368 0.03 1 347 37 37 ILE CA C 65.800 0.40 1 348 37 37 ILE CB C 37.091 0.40 1 349 37 37 ILE CG1 C 28.729 0.40 1 350 37 37 ILE CG2 C 18.614 0.40 1 351 37 37 ILE CD1 C 13.012 0.40 1 352 37 37 ILE N N 120.685 0.40 1 353 38 38 GLU H H 8.122 0.03 1 354 38 38 GLU HA H 3.678 0.03 1 355 38 38 GLU HB2 H 2.167 0.03 2 356 38 38 GLU HB3 H 2.277 0.03 2 357 38 38 GLU HG2 H 2.164 0.03 2 358 38 38 GLU CA C 61.060 0.40 1 359 38 38 GLU CB C 29.871 0.40 1 360 38 38 GLU CG C 37.155 0.40 1 361 38 38 GLU N N 118.792 0.40 1 362 39 39 LYS H H 7.586 0.03 1 363 39 39 LYS HA H 3.961 0.03 1 364 39 39 LYS HB2 H 1.975 0.03 2 365 39 39 LYS HB3 H 2.012 0.03 2 366 39 39 LYS HG2 H 1.522 0.03 2 367 39 39 LYS HD2 H 1.670 0.03 2 368 39 39 LYS HE2 H 3.004 0.03 2 369 39 39 LYS CA C 59.746 0.40 1 370 39 39 LYS CB C 32.310 0.40 1 371 39 39 LYS CG C 25.134 0.40 1 372 39 39 LYS CE C 42.064 0.40 1 373 39 39 LYS N N 116.986 0.40 1 374 40 40 GLU H H 8.690 0.03 1 375 40 40 GLU HA H 4.205 0.03 1 376 40 40 GLU HB2 H 2.160 0.03 2 377 40 40 GLU HB3 H 2.379 0.03 2 378 40 40 GLU HG2 H 2.080 0.03 2 379 40 40 GLU HG3 H 2.614 0.03 2 380 40 40 GLU CA C 58.359 0.40 1 381 40 40 GLU CB C 28.579 0.40 1 382 40 40 GLU CG C 36.093 0.40 1 383 40 40 GLU N N 117.892 0.40 1 384 41 41 LEU H H 8.978 0.03 1 385 41 41 LEU HA H 3.547 0.03 1 386 41 41 LEU HB2 H 1.281 0.03 2 387 41 41 LEU HB3 H 1.847 0.03 2 388 41 41 LEU HG H 1.262 0.03 1 389 41 41 LEU HD1 H 0.664 0.03 2 390 41 41 LEU HD2 H 0.253 0.03 2 391 41 41 LEU CA C 57.828 0.40 1 392 41 41 LEU CB C 40.338 0.40 1 393 41 41 LEU CG C 26.680 0.40 1 394 41 41 LEU CD1 C 26.586 0.40 1 395 41 41 LEU CD2 C 21.145 0.40 1 396 41 41 LEU N N 125.830 0.40 1 397 42 42 ILE H H 7.884 0.03 1 398 42 42 ILE HA H 3.584 0.03 1 399 42 42 ILE HB H 1.916 0.03 1 400 42 42 ILE HG12 H 1.069 0.03 2 401 42 42 ILE HG13 H 1.760 0.03 2 402 42 42 ILE HG2 H 0.907 0.03 1 403 42 42 ILE HD1 H 0.863 0.03 1 404 42 42 ILE CA C 65.832 0.40 1 405 42 42 ILE CB C 37.790 0.40 1 406 42 42 ILE CG1 C 29.333 0.40 1 407 42 42 ILE CG2 C 16.998 0.40 1 408 42 42 ILE CD1 C 13.389 0.40 1 409 42 42 ILE N N 119.900 0.40 1 410 43 43 SER H H 7.791 0.03 1 411 43 43 SER HA H 4.277 0.03 1 412 43 43 SER HB2 H 4.051 0.03 2 413 43 43 SER HB3 H 4.077 0.03 2 414 43 43 SER CA C 61.598 0.40 1 415 43 43 SER CB C 62.767 0.40 1 416 43 43 SER N N 114.071 0.40 1 417 44 44 PHE H H 9.060 0.03 1 418 44 44 PHE HA H 4.329 0.03 1 419 44 44 PHE HB2 H 2.832 0.03 2 420 44 44 PHE HB3 H 3.543 0.03 2 421 44 44 PHE HD1 H 7.110 0.03 3 422 44 44 PHE HD2 H 7.110 0.03 3 423 44 44 PHE HE1 H 6.841 0.03 3 424 44 44 PHE HE2 H 6.841 0.03 3 425 44 44 PHE HZ H 6.946 0.03 1 426 44 44 PHE CA C 61.257 0.40 1 427 44 44 PHE CB C 40.631 0.40 1 428 44 44 PHE CD1 C 132.338 0.40 3 429 44 44 PHE CE1 C 130.923 0.40 3 430 44 44 PHE CZ C 128.853 0.40 1 431 44 44 PHE N N 125.036 0.40 1 432 45 45 CYS H H 8.254 0.03 1 433 45 45 CYS HA H 4.606 0.03 1 434 45 45 CYS HB2 H 2.808 0.03 2 435 45 45 CYS HB3 H 3.337 0.03 2 436 45 45 CYS CA C 59.236 0.40 1 437 45 45 CYS CB C 42.623 0.40 1 438 45 45 CYS N N 112.824 0.40 1 439 46 46 LEU H H 7.776 0.03 1 440 46 46 LEU HA H 4.175 0.03 1 441 46 46 LEU HB2 H 1.653 0.03 2 442 46 46 LEU HB3 H 1.963 0.03 2 443 46 46 LEU HG H 1.969 0.03 1 444 46 46 LEU HD1 H 1.010 0.03 2 445 46 46 LEU HD2 H 0.954 0.03 2 446 46 46 LEU CA C 58.151 0.40 1 447 46 46 LEU CB C 42.252 0.40 1 448 46 46 LEU CG C 26.370 0.40 1 449 46 46 LEU CD1 C 24.916 0.40 1 450 46 46 LEU CD2 C 23.731 0.40 1 451 46 46 LEU N N 123.875 0.40 1 452 47 47 ASP H H 7.852 0.03 1 453 47 47 ASP HA H 4.910 0.03 1 454 47 47 ASP HB2 H 2.555 0.03 2 455 47 47 ASP HB3 H 2.820 0.03 2 456 47 47 ASP CA C 53.585 0.40 1 457 47 47 ASP CB C 40.375 0.40 1 458 47 47 ASP N N 116.880 0.40 1 459 48 48 THR H H 7.139 0.03 1 460 48 48 THR HA H 4.461 0.03 1 461 48 48 THR HB H 4.010 0.03 1 462 48 48 THR HG2 H 1.515 0.03 1 463 48 48 THR CA C 60.844 0.40 1 464 48 48 THR CB C 73.395 0.40 1 465 48 48 THR CG2 C 23.825 0.40 1 466 48 48 THR N N 108.053 0.40 1 467 49 49 LYS H H 8.755 0.03 1 468 49 49 LYS HA H 4.718 0.03 1 469 49 49 LYS HB2 H 1.752 0.03 2 470 49 49 LYS HB3 H 1.937 0.03 2 471 49 49 LYS HG2 H 1.429 0.03 2 472 49 49 LYS HD2 H 1.674 0.03 2 473 49 49 LYS HE2 H 2.990 0.03 2 474 49 49 LYS CA C 54.044 0.40 1 475 49 49 LYS CB C 36.570 0.40 1 476 49 49 LYS CG C 24.446 0.40 1 477 49 49 LYS CD C 28.956 0.40 1 478 49 49 LYS CE C 42.223 0.40 1 479 49 49 LYS N N 118.308 0.40 1 480 50 50 GLY H H 8.866 0.03 1 481 50 50 GLY HA2 H 3.831 0.03 2 482 50 50 GLY HA3 H 4.110 0.03 2 483 50 50 GLY CA C 46.843 0.40 1 484 50 50 GLY N N 108.996 0.40 1 485 51 51 LYS H H 9.254 0.03 1 486 51 51 LYS HA H 3.970 0.03 1 487 51 51 LYS HB2 H 1.584 0.03 2 488 51 51 LYS HB3 H 1.910 0.03 2 489 51 51 LYS HG2 H 1.852 0.03 2 490 51 51 LYS HD2 H 1.570 0.03 2 491 51 51 LYS HE2 H 3.143 0.03 2 492 51 51 LYS HE3 H 3.193 0.03 2 493 51 51 LYS CA C 58.110 0.40 1 494 51 51 LYS CB C 32.619 0.40 1 495 51 51 LYS CG C 24.790 0.40 1 496 51 51 LYS CD C 28.586 0.40 1 497 51 51 LYS CE C 42.418 0.40 1 498 51 51 LYS N N 126.155 0.40 1 499 52 52 GLU H H 8.223 0.03 1 500 52 52 GLU HA H 3.523 0.03 1 501 52 52 GLU HB2 H 1.830 0.03 2 502 52 52 GLU HB3 H 2.221 0.03 2 503 52 52 GLU HG2 H 2.201 0.03 2 504 52 52 GLU HG3 H 2.925 0.03 2 505 52 52 GLU CA C 59.390 0.40 1 506 52 52 GLU CB C 28.686 0.40 1 507 52 52 GLU CG C 38.705 0.40 1 508 52 52 GLU N N 116.496 0.40 1 509 53 53 ASN H H 6.840 0.03 1 510 53 53 ASN HA H 4.384 0.03 1 511 53 53 ASN HB2 H 2.160 0.03 2 512 53 53 ASN HB3 H 2.495 0.03 2 513 53 53 ASN HD21 H 7.000 0.03 2 514 53 53 ASN HD22 H 7.214 0.03 2 515 53 53 ASN CA C 56.978 0.40 1 516 53 53 ASN CB C 39.446 0.40 1 517 53 53 ASN N N 119.000 0.40 1 518 53 53 ASN ND2 N 111.897 0.40 1 519 54 54 ARG H H 7.456 0.03 1 520 54 54 ARG HA H 3.769 0.03 1 521 54 54 ARG HB2 H 1.796 0.03 2 522 54 54 ARG HB3 H 1.863 0.03 2 523 54 54 ARG HG2 H 1.500 0.03 2 524 54 54 ARG HG3 H 1.640 0.03 2 525 54 54 ARG HD2 H 2.903 0.03 2 526 54 54 ARG HD3 H 3.019 0.03 2 527 54 54 ARG HE H 6.743 0.03 1 528 54 54 ARG CA C 57.397 0.40 1 529 54 54 ARG CB C 28.740 0.40 1 530 54 54 ARG CG C 25.371 0.40 1 531 54 54 ARG CD C 42.598 0.40 1 532 54 54 ARG N N 118.480 0.40 1 533 54 54 ARG NE N 82.826 0.40 1 534 55 55 LEU H H 7.843 0.03 1 535 55 55 LEU HA H 3.808 0.03 1 536 55 55 LEU HB2 H 1.226 0.03 2 537 55 55 LEU HB3 H 1.794 0.03 2 538 55 55 LEU HG H 1.293 0.03 1 539 55 55 LEU HD1 H 0.874 0.03 2 540 55 55 LEU HD2 H 0.713 0.03 2 541 55 55 LEU CA C 58.459 0.40 1 542 55 55 LEU CB C 40.120 0.40 1 543 55 55 LEU CG C 26.702 0.40 1 544 55 55 LEU CD1 C 24.780 0.40 1 545 55 55 LEU CD2 C 28.633 0.40 1 546 55 55 LEU N N 118.688 0.40 1 547 56 56 CYS H H 7.752 0.03 1 548 56 56 CYS HA H 3.873 0.03 1 549 56 56 CYS HB2 H 2.533 0.03 2 550 56 56 CYS HB3 H 3.393 0.03 2 551 56 56 CYS CA C 63.037 0.40 1 552 56 56 CYS CB C 41.905 0.40 1 553 56 56 CYS N N 115.905 0.40 1 554 57 57 TYR H H 7.911 0.03 1 555 57 57 TYR HA H 4.143 0.03 1 556 57 57 TYR HB2 H 2.930 0.03 2 557 57 57 TYR HB3 H 3.057 0.03 2 558 57 57 TYR HD1 H 6.734 0.03 3 559 57 57 TYR HD2 H 6.734 0.03 3 560 57 57 TYR HE1 H 6.742 0.03 3 561 57 57 TYR HE2 H 6.742 0.03 3 562 57 57 TYR CA C 61.315 0.40 1 563 57 57 TYR CB C 37.054 0.40 1 564 57 57 TYR CD2 C 133.114 0.40 3 565 57 57 TYR CE2 C 117.996 0.40 3 566 57 57 TYR N N 121.810 0.40 1 567 58 58 TYR H H 8.334 0.03 1 568 58 58 TYR HA H 4.375 0.03 1 569 58 58 TYR HB2 H 2.997 0.03 2 570 58 58 TYR HB3 H 3.089 0.03 2 571 58 58 TYR HD1 H 7.014 0.03 3 572 58 58 TYR HD2 H 7.014 0.03 3 573 58 58 TYR HE1 H 6.742 0.03 3 574 58 58 TYR HE2 H 6.742 0.03 3 575 58 58 TYR CA C 59.009 0.40 1 576 58 58 TYR CB C 38.024 0.40 1 577 58 58 TYR CD2 C 131.883 0.40 3 578 58 58 TYR CE2 C 117.943 0.40 3 579 58 58 TYR N N 121.916 0.40 1 580 59 59 LEU H H 8.079 0.03 1 581 59 59 LEU HA H 4.120 0.03 1 582 59 59 LEU HB2 H 1.498 0.03 2 583 59 59 LEU HB3 H 1.854 0.03 2 584 59 59 LEU HG H 2.073 0.03 1 585 59 59 LEU HD1 H 0.771 0.03 2 586 59 59 LEU HD2 H 0.784 0.03 2 587 59 59 LEU CA C 55.229 0.40 1 588 59 59 LEU CB C 42.045 0.40 1 589 59 59 LEU CG C 25.724 0.40 1 590 59 59 LEU CD1 C 25.206 0.40 1 591 59 59 LEU CD2 C 22.867 0.40 1 592 59 59 LEU N N 114.461 0.40 1 593 60 60 GLY H H 7.562 0.03 1 594 60 60 GLY HA2 H 3.657 0.03 2 595 60 60 GLY HA3 H 4.239 0.03 2 596 60 60 GLY CA C 45.572 0.40 1 597 60 60 GLY N N 102.559 0.40 1 598 61 61 ALA H H 7.995 0.03 1 599 61 61 ALA HA H 4.401 0.03 1 600 61 61 ALA HB H 1.308 0.03 1 601 61 61 ALA CA C 51.265 0.40 1 602 61 61 ALA CB C 20.337 0.40 1 603 61 61 ALA N N 120.327 0.40 1 604 62 62 THR H H 7.156 0.03 1 605 62 62 THR HA H 4.518 0.03 1 606 62 62 THR HB H 4.414 0.03 1 607 62 62 THR HG2 H 0.998 0.03 1 608 62 62 THR CA C 59.982 0.40 1 609 62 62 THR CB C 70.540 0.40 1 610 62 62 THR CG2 C 21.953 0.40 1 611 62 62 THR N N 106.895 0.40 1 612 63 63 LYS H H 8.626 0.03 1 613 63 63 LYS HA H 4.097 0.03 1 614 63 63 LYS HB2 H 1.852 0.03 2 615 63 63 LYS HG2 H 1.463 0.03 2 616 63 63 LYS HD2 H 1.684 0.03 2 617 63 63 LYS HE2 H 3.000 0.03 2 618 63 63 LYS CA C 58.272 0.40 1 619 63 63 LYS CB C 32.155 0.40 1 620 63 63 LYS CG C 24.542 0.40 1 621 63 63 LYS CD C 29.067 0.40 1 622 63 63 LYS CE C 42.158 0.40 1 623 63 63 LYS N N 121.251 0.40 1 624 64 64 ASP H H 8.441 0.03 1 625 64 64 ASP HA H 4.557 0.03 1 626 64 64 ASP HB2 H 2.777 0.03 2 627 64 64 ASP CA C 53.902 0.40 1 628 64 64 ASP CB C 40.106 0.40 1 629 64 64 ASP N N 116.607 0.40 1 630 65 65 ALA H H 7.368 0.03 1 631 65 65 ALA HA H 4.085 0.03 1 632 65 65 ALA HB H 1.332 0.03 1 633 65 65 ALA CA C 52.549 0.40 1 634 65 65 ALA CB C 19.557 0.40 1 635 65 65 ALA N N 122.486 0.40 1 636 66 66 ALA H H 8.300 0.03 1 637 66 66 ALA HA H 4.444 0.03 1 638 66 66 ALA HB H 1.418 0.03 1 639 66 66 ALA CA C 52.471 0.40 1 640 66 66 ALA CB C 19.265 0.40 1 641 66 66 ALA N N 124.171 0.40 1 642 67 67 THR H H 7.730 0.03 1 643 67 67 THR HA H 4.496 0.03 1 644 67 67 THR HB H 4.287 0.03 1 645 67 67 THR HG2 H 1.210 0.03 1 646 67 67 THR CA C 60.881 0.40 1 647 67 67 THR CB C 70.199 0.40 1 648 67 67 THR CG2 C 21.361 0.40 1 649 67 67 THR N N 111.638 0.40 1 650 68 68 LYS H H 8.502 0.03 1 651 68 68 LYS HA H 4.536 0.03 1 652 68 68 LYS HB2 H 1.869 0.03 2 653 68 68 LYS HB3 H 1.979 0.03 2 654 68 68 LYS HG2 H 1.483 0.03 2 655 68 68 LYS HD2 H 1.725 0.03 2 656 68 68 LYS HE2 H 3.038 0.03 2 657 68 68 LYS CA C 56.562 0.40 1 658 68 68 LYS CB C 33.099 0.40 1 659 68 68 LYS CG C 24.596 0.40 1 660 68 68 LYS CD C 29.117 0.40 1 661 68 68 LYS CE C 42.297 0.40 1 662 68 68 LYS N N 121.732 0.40 1 663 69 69 ILE HA H 4.339 0.03 1 664 69 69 ILE HB H 1.979 0.03 1 665 69 69 ILE HG12 H 1.207 0.03 2 666 69 69 ILE HG13 H 1.487 0.03 2 667 69 69 ILE HG2 H 0.908 0.03 1 668 69 69 ILE HD1 H 0.859 0.03 1 669 69 69 ILE CA C 61.706 0.40 1 670 69 69 ILE CB C 37.800 0.40 1 671 69 69 ILE CG1 C 27.805 0.40 1 672 69 69 ILE CG2 C 17.811 0.40 1 673 69 69 ILE CD1 C 13.457 0.40 1 674 70 70 LEU HA H 4.131 0.03 1 675 70 70 LEU HB2 H 1.659 0.03 2 676 70 70 LEU HB3 H 1.835 0.03 2 677 70 70 LEU HG H 1.730 0.03 1 678 70 70 LEU HD1 H 0.883 0.03 2 679 70 70 LEU HD2 H 0.841 0.03 2 680 70 70 LEU CA C 58.616 0.40 1 681 70 70 LEU CB C 41.738 0.40 1 682 70 70 LEU CG C 26.849 0.40 1 683 70 70 LEU CD1 C 24.927 0.40 1 684 70 70 LEU CD2 C 25.139 0.40 1 685 71 71 SER HA H 4.817 0.03 1 686 71 71 SER HB2 H 3.954 0.03 2 687 71 71 SER CA C 60.667 0.40 1 688 71 71 SER CB C 62.646 0.40 1 689 72 72 GLU HA H 4.264 0.03 1 690 72 72 GLU HB2 H 2.070 0.03 2 691 72 72 GLU HG2 H 2.309 0.03 2 692 72 72 GLU CA C 56.629 0.40 1 693 72 72 GLU CB C 28.247 0.40 1 694 72 72 GLU CG C 35.462 0.40 1 695 73 73 VAL H H 7.812 0.03 1 696 73 73 VAL HA H 4.102 0.03 1 697 73 73 VAL HB H 2.260 0.03 1 698 73 73 VAL HG1 H 0.998 0.03 2 699 73 73 VAL HG2 H 1.070 0.03 2 700 73 73 VAL CA C 63.741 0.40 1 701 73 73 VAL CB C 33.265 0.40 1 702 73 73 VAL CG1 C 22.264 0.40 1 703 73 73 VAL CG2 C 23.451 0.40 1 704 73 73 VAL N N 114.786 0.40 1 705 74 74 THR HA H 3.767 0.03 1 706 74 74 THR HB H 4.204 0.03 1 707 74 74 THR HG2 H 1.238 0.03 1 708 74 74 THR CA C 65.584 0.40 1 709 74 74 THR CB C 67.470 0.40 1 710 74 74 THR CG2 C 22.707 0.40 1 711 75 75 ARG HA H 4.246 0.03 1 712 75 75 ARG HB2 H 1.662 0.03 2 713 75 75 ARG HB3 H 1.854 0.03 2 714 75 75 ARG HG2 H 1.991 0.03 2 715 75 75 ARG HG3 H 2.087 0.03 2 716 75 75 ARG HD2 H 3.247 0.03 2 717 75 75 ARG CA C 61.383 0.40 1 718 75 75 ARG CB C 28.620 0.40 1 719 75 75 ARG CG C 26.838 0.40 1 720 75 75 ARG CD C 43.175 0.40 1 721 76 76 PRO HA H 4.485 0.03 1 722 76 76 PRO HB2 H 2.502 0.03 2 723 76 76 PRO HB3 H 1.860 0.03 2 724 76 76 PRO HG2 H 2.030 0.03 2 725 76 76 PRO HG3 H 2.290 0.03 2 726 76 76 PRO HD2 H 3.535 0.03 2 727 76 76 PRO CA C 65.697 0.40 1 728 76 76 PRO CB C 30.895 0.40 1 729 76 76 PRO CG C 27.964 0.40 1 730 76 76 PRO CD C 50.041 0.40 1 731 77 77 MET H H 7.685 0.03 1 732 77 77 MET HA H 4.684 0.03 1 733 77 77 MET HB2 H 1.900 0.03 2 734 77 77 MET HB3 H 2.195 0.03 2 735 77 77 MET HG2 H 2.270 0.03 2 736 77 77 MET HG3 H 2.945 0.03 2 737 77 77 MET HE H 1.557 0.03 1 738 77 77 MET CA C 59.347 0.40 1 739 77 77 MET CB C 32.996 0.40 1 740 77 77 MET CG C 33.686 0.40 1 741 77 77 MET CE C 17.461 0.40 1 742 77 77 MET N N 117.583 0.40 1 743 78 78 SER H H 8.285 0.03 1 744 78 78 SER HA H 4.226 0.03 1 745 78 78 SER HB2 H 3.998 0.03 2 746 78 78 SER HB3 H 4.066 0.03 2 747 78 78 SER CA C 61.922 0.40 1 748 78 78 SER CB C 62.406 0.40 1 749 78 78 SER N N 114.578 0.40 1 750 79 79 VAL H H 7.004 0.03 1 751 79 79 VAL HA H 4.751 0.03 1 752 79 79 VAL HB H 2.620 0.03 1 753 79 79 VAL HG1 H 1.024 0.03 2 754 79 79 VAL HG2 H 0.965 0.03 2 755 79 79 VAL CA C 60.126 0.40 1 756 79 79 VAL CB C 30.346 0.40 1 757 79 79 VAL CG1 C 18.991 0.40 1 758 79 79 VAL CG2 C 21.361 0.40 1 759 79 79 VAL N N 111.248 0.40 1 760 80 80 HIS H H 8.289 0.03 1 761 80 80 HIS HA H 4.116 0.03 1 762 80 80 HIS HB2 H 3.253 0.03 2 763 80 80 HIS CA C 56.826 0.40 1 764 80 80 HIS CB C 25.889 0.40 1 765 80 80 HIS N N 116.703 0.40 1 766 81 81 MET H H 8.006 0.03 1 767 81 81 MET HA H 4.512 0.03 1 768 81 81 MET HB2 H 1.604 0.03 2 769 81 81 MET HB3 H 2.013 0.03 2 770 81 81 MET HG2 H 2.692 0.03 2 771 81 81 MET HG3 H 2.732 0.03 2 772 81 81 MET HE H 2.086 0.03 1 773 81 81 MET CA C 55.007 0.40 1 774 81 81 MET CB C 33.265 0.40 1 775 81 81 MET CG C 31.703 0.40 1 776 81 81 MET CE C 16.595 0.40 1 777 81 81 MET N N 120.978 0.40 1 778 82 82 PRO HA H 4.341 0.03 1 779 82 82 PRO HB2 H 2.567 0.03 2 780 82 82 PRO HB3 H 1.875 0.03 2 781 82 82 PRO HG2 H 2.152 0.03 2 782 82 82 PRO HD2 H 3.602 0.03 2 783 82 82 PRO HD3 H 4.097 0.03 2 784 82 82 PRO CA C 63.236 0.40 1 785 82 82 PRO CB C 32.663 0.40 1 786 82 82 PRO CG C 28.041 0.40 1 787 82 82 PRO CD C 51.151 0.40 1 788 83 83 ALA H H 9.196 0.03 1 789 83 83 ALA HA H 3.946 0.03 1 790 83 83 ALA HB H 1.612 0.03 1 791 83 83 ALA CA C 55.973 0.40 1 792 83 83 ALA CB C 19.475 0.40 1 793 83 83 ALA N N 126.545 0.40 1 794 84 84 MET H H 9.289 0.03 1 795 84 84 MET HA H 4.024 0.03 1 796 84 84 MET HB2 H 2.108 0.03 2 797 84 84 MET HG2 H 2.608 0.03 2 798 84 84 MET HG3 H 2.694 0.03 2 799 84 84 MET HE H 2.148 0.03 1 800 84 84 MET CA C 58.812 0.40 1 801 84 84 MET CB C 32.242 0.40 1 802 84 84 MET CG C 32.134 0.40 1 803 84 84 MET CE C 17.892 0.40 1 804 84 84 MET N N 114.734 0.40 1 805 85 85 LYS H H 6.997 0.03 1 806 85 85 LYS HA H 4.174 0.03 1 807 85 85 LYS HB2 H 1.972 0.03 2 808 85 85 LYS HG2 H 1.625 0.03 2 809 85 85 LYS HD2 H 1.642 0.03 2 810 85 85 LYS HE2 H 3.012 0.03 2 811 85 85 LYS CA C 58.116 0.40 1 812 85 85 LYS CB C 31.793 0.40 1 813 85 85 LYS CG C 25.205 0.40 1 814 85 85 LYS CD C 28.872 0.40 1 815 85 85 LYS CE C 42.061 0.40 1 816 85 85 LYS N N 116.490 0.40 1 817 86 86 ILE H H 7.875 0.03 1 818 86 86 ILE HA H 3.615 0.03 1 819 86 86 ILE HB H 2.028 0.03 1 820 86 86 ILE HG12 H 0.887 0.03 2 821 86 86 ILE HG13 H 1.746 0.03 2 822 86 86 ILE HG2 H 0.968 0.03 1 823 86 86 ILE HD1 H 0.932 0.03 1 824 86 86 ILE CA C 66.278 0.40 1 825 86 86 ILE CB C 37.520 0.40 1 826 86 86 ILE CG1 C 28.136 0.40 1 827 86 86 ILE CG2 C 17.218 0.40 1 828 86 86 ILE CD1 C 13.982 0.40 1 829 86 86 ILE N N 120.561 0.40 1 830 87 87 CYS H H 8.643 0.03 1 831 87 87 CYS HA H 4.076 0.03 1 832 87 87 CYS HB2 H 3.258 0.03 2 833 87 87 CYS CA C 61.060 0.40 1 834 87 87 CYS CB C 42.733 0.40 1 835 87 87 CYS N N 117.323 0.40 1 836 88 88 GLU H H 8.045 0.03 1 837 88 88 GLU HA H 3.948 0.03 1 838 88 88 GLU HB2 H 2.088 0.03 2 839 88 88 GLU HB3 H 2.205 0.03 2 840 88 88 GLU HG2 H 2.266 0.03 2 841 88 88 GLU HG3 H 2.545 0.03 2 842 88 88 GLU CA C 59.763 0.40 1 843 88 88 GLU CB C 29.764 0.40 1 844 88 88 GLU CG C 36.758 0.40 1 845 88 88 GLU N N 118.070 0.40 1 846 89 89 LYS H H 7.530 0.03 1 847 89 89 LYS HA H 4.138 0.03 1 848 89 89 LYS HB2 H 2.092 0.03 2 849 89 89 LYS HG2 H 1.482 0.03 2 850 89 89 LYS HG3 H 1.687 0.03 2 851 89 89 LYS HD2 H 1.721 0.03 2 852 89 89 LYS HE2 H 2.995 0.03 2 853 89 89 LYS HE3 H 3.063 0.03 2 854 89 89 LYS CA C 59.130 0.40 1 855 89 89 LYS CB C 31.703 0.40 1 856 89 89 LYS CG C 25.036 0.40 1 857 89 89 LYS CD C 28.993 0.40 1 858 89 89 LYS CE C 42.055 0.40 1 859 89 89 LYS N N 119.719 0.40 1 860 90 90 LEU H H 8.422 0.03 1 861 90 90 LEU HA H 3.965 0.03 1 862 90 90 LEU HB2 H 1.478 0.03 2 863 90 90 LEU HB3 H 2.125 0.03 2 864 90 90 LEU HG H 2.058 0.03 1 865 90 90 LEU HD1 H 0.864 0.03 2 866 90 90 LEU HD2 H 0.742 0.03 2 867 90 90 LEU CA C 57.343 0.40 1 868 90 90 LEU CB C 40.991 0.40 1 869 90 90 LEU CG C 25.925 0.40 1 870 90 90 LEU CD1 C 26.370 0.40 1 871 90 90 LEU CD2 C 22.165 0.40 1 872 90 90 LEU N N 119.550 0.40 1 873 91 91 LYS H H 8.218 0.03 1 874 91 91 LYS HA H 3.862 0.03 1 875 91 91 LYS HB2 H 1.951 0.03 2 876 91 91 LYS HB3 H 2.300 0.03 2 877 91 91 LYS HG2 H 1.381 0.03 2 878 91 91 LYS HG3 H 1.505 0.03 2 879 91 91 LYS HD2 H 1.748 0.03 2 880 91 91 LYS HE2 H 2.991 0.03 2 881 91 91 LYS CA C 58.605 0.40 1 882 91 91 LYS CB C 32.477 0.40 1 883 91 91 LYS CG C 25.293 0.40 1 884 91 91 LYS CD C 29.941 0.40 1 885 91 91 LYS CE C 42.013 0.40 1 886 91 91 LYS N N 119.180 0.40 1 887 92 92 LYS H H 6.984 0.03 1 888 92 92 LYS HA H 4.053 0.03 1 889 92 92 LYS HB2 H 1.896 0.03 2 890 92 92 LYS HG2 H 1.497 0.03 2 891 92 92 LYS HD2 H 1.646 0.03 2 892 92 92 LYS HE2 H 3.032 0.03 2 893 92 92 LYS CA C 57.558 0.40 1 894 92 92 LYS CB C 31.934 0.40 1 895 92 92 LYS CG C 24.966 0.40 1 896 92 92 LYS CD C 25.116 0.40 1 897 92 92 LYS CE C 42.139 0.40 1 898 92 92 LYS N N 113.632 0.40 1 899 93 93 LEU H H 7.456 0.03 1 900 93 93 LEU HA H 4.290 0.03 1 901 93 93 LEU HB2 H 1.562 0.03 2 902 93 93 LEU HB3 H 1.883 0.03 2 903 93 93 LEU HG H 1.752 0.03 1 904 93 93 LEU HD1 H 0.925 0.03 2 905 93 93 LEU HD2 H 0.871 0.03 2 906 93 93 LEU CA C 56.104 0.40 1 907 93 93 LEU CB C 42.102 0.40 1 908 93 93 LEU CG C 26.909 0.40 1 909 93 93 LEU CD1 C 25.778 0.40 1 910 93 93 LEU CD2 C 22.815 0.40 1 911 93 93 LEU N N 119.104 0.40 1 912 94 94 ASP H H 7.911 0.03 1 913 94 94 ASP HA H 4.556 0.03 1 914 94 94 ASP HB2 H 2.546 0.03 2 915 94 94 ASP CA C 54.366 0.40 1 916 94 94 ASP CB C 41.173 0.40 1 917 94 94 ASP N N 116.790 0.40 1 918 95 95 SER H H 8.894 0.03 1 919 95 95 SER HA H 4.186 0.03 1 920 95 95 SER HB2 H 3.999 0.03 2 921 95 95 SER CA C 61.472 0.40 1 922 95 95 SER CB C 62.568 0.40 1 923 95 95 SER N N 122.399 0.40 1 924 96 96 GLN H H 8.610 0.03 1 925 96 96 GLN HA H 3.862 0.03 1 926 96 96 GLN HB2 H 1.418 0.03 2 927 96 96 GLN HB3 H 1.668 0.03 2 928 96 96 GLN HG2 H 2.120 0.03 2 929 96 96 GLN HG3 H 2.284 0.03 2 930 96 96 GLN HE21 H 6.692 0.03 2 931 96 96 GLN HE22 H 7.976 0.03 2 932 96 96 GLN CA C 58.151 0.40 1 933 96 96 GLN CB C 28.417 0.40 1 934 96 96 GLN CG C 34.438 0.40 1 935 96 96 GLN N N 120.800 0.40 1 936 96 96 GLN NE2 N 113.114 0.40 1 937 97 97 ILE H H 7.470 0.03 1 938 97 97 ILE HA H 3.399 0.03 1 939 97 97 ILE HB H 1.727 0.03 1 940 97 97 ILE HG12 H 0.912 0.03 2 941 97 97 ILE HG13 H 1.545 0.03 2 942 97 97 ILE HG2 H 0.857 0.03 1 943 97 97 ILE HD1 H 0.964 0.03 1 944 97 97 ILE CA C 65.831 0.40 1 945 97 97 ILE CB C 38.274 0.40 1 946 97 97 ILE CG1 C 31.703 0.40 1 947 97 97 ILE CG2 C 16.890 0.40 1 948 97 97 ILE CD1 C 14.843 0.40 1 949 97 97 ILE N N 117.387 0.40 1 950 98 98 CYS H H 7.410 0.03 1 951 98 98 CYS HA H 5.071 0.03 1 952 98 98 CYS HB2 H 3.401 0.03 2 953 98 98 CYS CA C 61.973 0.40 1 954 98 98 CYS CB C 48.586 0.40 1 955 98 98 CYS N N 113.485 0.40 1 956 99 99 GLU H H 7.308 0.03 1 957 99 99 GLU HA H 4.323 0.03 1 958 99 99 GLU HB2 H 1.943 0.03 2 959 99 99 GLU HG2 H 2.287 0.03 2 960 99 99 GLU CA C 56.726 0.40 1 961 99 99 GLU CB C 29.979 0.40 1 962 99 99 GLU CG C 36.012 0.40 1 963 99 99 GLU N N 119.123 0.40 1 964 100 100 LEU H H 6.496 0.03 1 965 100 100 LEU HA H 4.297 0.03 1 966 100 100 LEU HB2 H 1.029 0.03 2 967 100 100 LEU HB3 H 1.818 0.03 2 968 100 100 LEU HG H 2.013 0.03 1 969 100 100 LEU HD1 H 1.024 0.03 2 970 100 100 LEU HD2 H 1.003 0.03 2 971 100 100 LEU CA C 55.682 0.40 1 972 100 100 LEU CB C 42.961 0.40 1 973 100 100 LEU CG C 25.925 0.40 1 974 100 100 LEU CD1 C 26.651 0.40 1 975 100 100 LEU CD2 C 23.731 0.40 1 976 100 100 LEU N N 115.771 0.40 1 977 101 101 LYS H H 8.575 0.03 1 978 101 101 LYS HA H 4.594 0.03 1 979 101 101 LYS HB2 H 1.711 0.03 2 980 101 101 LYS HB3 H 2.017 0.03 2 981 101 101 LYS HG2 H 1.520 0.03 2 982 101 101 LYS HD2 H 1.700 0.03 2 983 101 101 LYS HE2 H 3.070 0.03 2 984 101 101 LYS CA C 55.350 0.40 1 985 101 101 LYS CB C 35.723 0.40 1 986 101 101 LYS CG C 24.507 0.40 1 987 101 101 LYS CD C 29.179 0.40 1 988 101 101 LYS CE C 42.160 0.40 1 989 101 101 LYS N N 125.672 0.40 1 990 102 102 TYR H H 8.756 0.03 1 991 102 102 TYR HA H 4.382 0.03 1 992 102 102 TYR HB2 H 2.762 0.03 2 993 102 102 TYR HB3 H 3.164 0.03 2 994 102 102 TYR HD1 H 7.273 0.03 3 995 102 102 TYR HD2 H 7.273 0.03 3 996 102 102 TYR HE1 H 6.840 0.03 3 997 102 102 TYR HE2 H 6.840 0.03 3 998 102 102 TYR CA C 60.024 0.40 1 999 102 102 TYR CB C 38.328 0.40 1 1000 102 102 TYR CD2 C 133.195 0.40 3 1001 102 102 TYR CE2 C 118.372 0.40 3 1002 102 102 TYR N N 120.395 0.40 1 1003 103 103 GLU H H 8.835 0.03 1 1004 103 103 GLU HA H 4.392 0.03 1 1005 103 103 GLU HB2 H 2.031 0.03 2 1006 103 103 GLU HB3 H 2.142 0.03 2 1007 103 103 GLU HG2 H 2.338 0.03 2 1008 103 103 GLU CA C 56.327 0.40 1 1009 103 103 GLU CB C 30.302 0.40 1 1010 103 103 GLU CG C 36.388 0.40 1 1011 103 103 GLU N N 121.550 0.40 1 1012 104 104 LYS H H 8.490 0.03 1 1013 104 104 LYS HA H 4.461 0.03 1 1014 104 104 LYS HB2 H 1.822 0.03 2 1015 104 104 LYS HB3 H 1.936 0.03 2 1016 104 104 LYS HG2 H 1.493 0.03 2 1017 104 104 LYS HD2 H 1.719 0.03 2 1018 104 104 LYS HE2 H 3.020 0.03 2 1019 104 104 LYS CA C 56.274 0.40 1 1020 104 104 LYS CB C 33.047 0.40 1 1021 104 104 LYS CG C 24.507 0.40 1 1022 104 104 LYS CD C 29.068 0.40 1 1023 104 104 LYS CE C 42.098 0.40 1 1024 104 104 LYS N N 122.957 0.40 1 1025 105 105 THR H H 7.900 0.03 1 1026 105 105 THR HA H 4.190 0.03 1 1027 105 105 THR HB H 4.275 0.03 1 1028 105 105 THR HG2 H 1.204 0.03 1 1029 105 105 THR CA C 63.162 0.40 1 1030 105 105 THR CB C 70.603 0.40 1 1031 105 105 THR CG2 C 21.967 0.40 1 1032 105 105 THR N N 120.977 0.40 1 stop_ save_