data_18697 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of the N-terminal domain of human lysyl aminoacyl tRNA synthetase complexed with anticodon stem-loop of tRNALys,3 ; _BMRB_accession_number 18697 _BMRB_flat_file_name bmr18697.str _Entry_type original _Submission_date 2012-08-31 _Accession_date 2012-08-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Sheng . . 2 Tsang Pearl . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 556 "13C chemical shifts" 522 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2012-10-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18696 rmodN stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignment of the N-terminal domain of human lysyl aminoacyl tRNA synthetase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23065336 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Sheng . . 2 Decker Aaron . . 3 Howell Mike . . 4 Caperelli Carol . . 5 Tsang Pearl . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 289 _Page_last 292 _Year 2013 _Details . loop_ _Keyword HIV-1 LysRS 'N-terminal domain' 'RNA-protein complex' tRNALys,3 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rmodN-ACSL complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rmodN $rmodN rmodN_isoD62 $rmodN_isoD62 stop_ _System_molecular_weight 13644 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rmodN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rmodN _Molecular_mass 8311 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MAAVQAAEVKVDGSEPKLSK NELKRRLKAEKKVAEKEAKQ KELSEKQLSQATAAATNHTT DNGVLPETGGHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ALA 4 4 VAL 5 5 GLN 6 6 ALA 7 7 ALA 8 8 GLU 9 9 VAL 10 10 LYS 11 11 VAL 12 12 ASP 13 13 GLY 14 14 SER 15 15 GLU 16 16 PRO 17 17 LYS 18 18 LEU 19 19 SER 20 20 LYS 21 21 ASN 22 22 GLU 23 23 LEU 24 24 LYS 25 25 ARG 26 26 ARG 27 27 LEU 28 28 LYS 29 29 ALA 30 30 GLU 31 31 LYS 32 32 LYS 33 33 VAL 34 34 ALA 35 35 GLU 36 36 LYS 37 37 GLU 38 38 ALA 39 39 LYS 40 40 GLN 41 41 LYS 42 42 GLU 43 43 LEU 44 44 SER 45 45 GLU 46 46 LYS 47 47 GLN 48 48 LEU 49 49 SER 50 50 GLN 51 51 ALA 52 52 THR 53 53 ALA 54 54 ALA 55 55 ALA 56 56 THR 57 57 ASN 58 58 HIS 59 59 THR 60 60 THR 61 61 ASP 62 62 ASN 63 63 GLY 64 64 VAL 65 65 LEU 66 66 PRO 67 67 GLU 68 68 THR 69 69 GLY 70 70 GLY 71 71 HIS 72 72 HIS 73 73 HIS 74 74 HIS 75 75 HIS 76 76 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 18696 rmodN 100.00 76 100.00 100.00 2.99e-44 DBJ BAA06688 "KIAA0070 [Homo sapiens]" 88.16 601 98.51 98.51 7.31e-32 DBJ BAA22084 "Lysyl tRNA Synthetase [Homo sapiens]" 88.16 597 98.51 98.51 7.03e-32 DBJ BAC86604 "unnamed protein product [Homo sapiens]" 88.16 423 98.51 98.51 1.60e-32 DBJ BAG09591 "lysyl-tRNA synthetase [synthetic construct]" 88.16 597 98.51 98.51 7.03e-32 GB AAH04132 "Lysyl-tRNA synthetase [Homo sapiens]" 88.16 597 98.51 98.51 7.03e-32 GB ABM83227 "lysyl-tRNA synthetase [synthetic construct]" 88.16 597 98.51 98.51 7.03e-32 GB ABM86426 "lysyl-tRNA synthetase [synthetic construct]" 88.16 597 98.51 98.51 7.03e-32 GB AIC54646 "KARS, partial [synthetic construct]" 88.16 597 98.51 98.51 7.03e-32 GB EAW95620 "lysyl-tRNA synthetase, isoform CRA_b [Homo sapiens]" 88.16 597 98.51 98.51 7.03e-32 REF NP_005539 "lysine--tRNA ligase isoform 2 [Homo sapiens]" 88.16 597 98.51 98.51 7.03e-32 REF XP_003260017 "PREDICTED: lysine--tRNA ligase isoform X2 [Nomascus leucogenys]" 88.16 597 98.51 98.51 7.25e-32 REF XP_003829594 "PREDICTED: lysine--tRNA ligase isoform X2 [Pan paniscus]" 88.16 611 98.51 98.51 6.95e-32 REF XP_004058057 "PREDICTED: lysine--tRNA ligase isoform 1 [Gorilla gorilla gorilla]" 88.16 597 97.01 97.01 1.21e-22 REF XP_009249230 "PREDICTED: lysine--tRNA ligase isoform X1 [Pongo abelii]" 88.16 597 98.51 98.51 7.03e-32 SP Q15046 "RecName: Full=Lysine--tRNA ligase; AltName: Full=Lysyl-tRNA synthetase; Short=LysRS" 88.16 597 98.51 98.51 7.03e-32 stop_ save_ save_rmodN_isoD62 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rmodN_isoD62 _Molecular_mass 8312 _Mol_thiol_state 'not present' _Details . _Residue_count 76 _Mol_residue_sequence ; MAAVQAAEVKVDGSEPKLSK NELKRRLKAEKKVAEKEAKQ KELSEKQLSQATAAATNHTT DDGVLPETGGHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ALA 4 4 VAL 5 5 GLN 6 6 ALA 7 7 ALA 8 8 GLU 9 9 VAL 10 10 LYS 11 11 VAL 12 12 ASP 13 13 GLY 14 14 SER 15 15 GLU 16 16 PRO 17 17 LYS 18 18 LEU 19 19 SER 20 20 LYS 21 21 ASN 22 22 GLU 23 23 LEU 24 24 LYS 25 25 ARG 26 26 ARG 27 27 LEU 28 28 LYS 29 29 ALA 30 30 GLU 31 31 LYS 32 32 LYS 33 33 VAL 34 34 ALA 35 35 GLU 36 36 LYS 37 37 GLU 38 38 ALA 39 39 LYS 40 40 GLN 41 41 LYS 42 42 GLU 43 43 LEU 44 44 SER 45 45 GLU 46 46 LYS 47 47 GLN 48 48 LEU 49 49 SER 50 50 GLN 51 51 ALA 52 52 THR 53 53 ALA 54 54 ALA 55 55 ALA 56 56 THR 57 57 ASN 58 58 HIS 59 59 THR 60 60 THR 61 61 ASP 62 62 ASP 63 63 GLY 64 64 VAL 65 65 LEU 66 66 PRO 67 67 GLU 68 68 THR 69 69 GLY 70 70 GLY 71 71 HIS 72 72 HIS 73 73 HIS 74 74 HIS 75 75 HIS 76 76 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 18696 rmodN_isoD62 100.00 76 100.00 100.00 2.34e-44 DBJ BAA06688 "KIAA0070 [Homo sapiens]" 88.16 601 97.01 98.51 2.28e-23 DBJ BAA22084 "Lysyl tRNA Synthetase [Homo sapiens]" 88.16 597 97.01 98.51 2.43e-23 DBJ BAC86604 "unnamed protein product [Homo sapiens]" 88.16 423 97.01 98.51 3.40e-22 DBJ BAG09591 "lysyl-tRNA synthetase [synthetic construct]" 88.16 597 97.01 98.51 2.34e-23 GB AAH04132 "Lysyl-tRNA synthetase [Homo sapiens]" 88.16 597 97.01 98.51 2.43e-23 GB ABM83227 "lysyl-tRNA synthetase [synthetic construct]" 88.16 597 97.01 98.51 2.43e-23 GB ABM86426 "lysyl-tRNA synthetase [synthetic construct]" 88.16 597 97.01 98.51 2.43e-23 GB AIC54646 "KARS, partial [synthetic construct]" 88.16 597 97.01 98.51 2.43e-23 GB EAW95620 "lysyl-tRNA synthetase, isoform CRA_b [Homo sapiens]" 88.16 597 97.01 98.51 2.43e-23 REF NP_005539 "lysine--tRNA ligase isoform 2 [Homo sapiens]" 88.16 597 97.01 98.51 2.43e-23 REF XP_003260017 "PREDICTED: lysine--tRNA ligase isoform 1 [Nomascus leucogenys]" 88.16 597 97.01 98.51 2.25e-23 REF XP_003829594 "PREDICTED: lysine--tRNA ligase isoform X2 [Pan paniscus]" 88.16 611 97.01 98.51 6.24e-22 REF XP_009249230 "PREDICTED: lysine--tRNA ligase isoform X1 [Pongo abelii]" 88.16 597 97.01 98.51 2.41e-23 REF XP_511115 "PREDICTED: lysine--tRNA ligase isoform X2 [Pan troglodytes]" 88.16 611 97.01 98.51 6.18e-22 SP Q15046 "RecName: Full=Lysine--tRNA ligase; AltName: Full=Lysyl-tRNA synthetase; Short=LysRS [Homo sapiens]" 88.16 597 97.01 98.51 2.43e-23 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $rmodN Human 9606 Eukaryota Metazoa Homo sapiens LysRS 'N-terminal domain of human LysRS' 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 $rmodN 'recombinant technology' . Escherichia coli 'BL21 DE3' pET-30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 15 mM NaCl, 35 mM KCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.0, 298.15 K.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rmodN 200 uM '[U-100% 13C; U-100% 15N]' ACSL 400 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 15 mM 'natural abundance' KCl 35 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard 'University of California, San Francisco' . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate, 15 mM NaCl, 35 mM KCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.0, 298.15 K.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.0 . pH pressure 1 . atm temperature 298.15 . 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 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 HNCACB' '3D HNCO' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N 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 rmodN _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.374 0.02 1 2 2 2 ALA HB H 1.407 0.02 1 3 2 2 ALA C C 176.971 0.2 1 4 2 2 ALA CA C 52.434 0.2 1 5 2 2 ALA CB C 19.358 0.2 1 6 3 3 ALA H H 8.415 0.02 1 7 3 3 ALA HA H 4.327 0.02 1 8 3 3 ALA HB H 1.385 0.02 1 9 3 3 ALA C C 177.755 0.2 1 10 3 3 ALA CA C 52.427 0.2 1 11 3 3 ALA CB C 19.288 0.2 1 12 3 3 ALA N N 125.033 0.2 1 13 4 4 VAL H H 8.145 0.02 1 14 4 4 VAL HA H 4.086 0.02 1 15 4 4 VAL HB H 2.043 0.02 1 16 4 4 VAL HG1 H 0.939 0.02 2 17 4 4 VAL C C 176.207 0.2 1 18 4 4 VAL CA C 62.268 0.2 1 19 4 4 VAL CB C 32.938 0.2 1 20 4 4 VAL CG1 C 20.93 0.2 2 21 4 4 VAL N N 120.489 0.2 1 22 5 5 GLN H H 8.455 0.02 1 23 5 5 GLN HA H 4.332 0.02 1 24 5 5 GLN HB2 H 2.091 0.02 2 25 5 5 GLN HB3 H 1.98 0.02 2 26 5 5 GLN HG2 H 2.372 0.02 2 27 5 5 GLN C C 175.58 0.2 1 28 5 5 GLN CA C 55.676 0.2 1 29 5 5 GLN CB C 29.66 0.2 1 30 5 5 GLN CG C 33.845 0.2 1 31 5 5 GLN N N 125.338 0.2 1 32 6 6 ALA H H 8.39 0.02 1 33 6 6 ALA HA H 4.285 0.02 1 34 6 6 ALA HB H 1.394 0.02 1 35 6 6 ALA C C 177.376 0.2 1 36 6 6 ALA CA C 52.554 0.2 1 37 6 6 ALA CB C 19.391 0.2 1 38 6 6 ALA N N 126.926 0.2 1 39 7 7 ALA H H 8.276 0.02 1 40 7 7 ALA HA H 4.294 0.02 1 41 7 7 ALA HB H 1.388 0.02 1 42 7 7 ALA C C 177.699 0.2 1 43 7 7 ALA CA C 52.472 0.2 1 44 7 7 ALA CB C 19.406 0.2 1 45 7 7 ALA N N 124.002 0.2 1 46 8 8 GLU H H 8.339 0.02 1 47 8 8 GLU HA H 4.285 0.02 1 48 8 8 GLU HB2 H 2.01 0.02 2 49 8 8 GLU HB3 H 1.947 0.02 2 50 8 8 GLU HG2 H 2.269 0.02 2 51 8 8 GLU HG3 H 2.217 0.02 2 52 8 8 GLU C C 176.336 0.2 1 53 8 8 GLU CA C 56.469 0.2 1 54 8 8 GLU CB C 30.474 0.2 1 55 8 8 GLU CG C 36.238 0.2 1 56 8 8 GLU N N 120.986 0.2 1 57 9 9 VAL H H 8.18 0.02 1 58 9 9 VAL HA H 4.078 0.02 1 59 9 9 VAL HB H 2.033 0.02 1 60 9 9 VAL HG1 H 0.926 0.02 2 61 9 9 VAL C C 175.88 0.2 1 62 9 9 VAL CA C 62.284 0.2 1 63 9 9 VAL CB C 32.776 0.2 1 64 9 9 VAL CG1 C 20.985 0.2 2 65 9 9 VAL N N 123.149 0.2 1 66 10 10 LYS H H 8.453 0.02 1 67 10 10 LYS HA H 4.409 0.02 1 68 10 10 LYS HB2 H 1.796 0.02 2 69 10 10 LYS HB3 H 1.75 0.02 2 70 10 10 LYS HG2 H 1.404 0.02 2 71 10 10 LYS HD2 H 1.678 0.02 2 72 10 10 LYS HE2 H 2.989 0.02 2 73 10 10 LYS C C 176.476 0.2 1 74 10 10 LYS CA C 55.923 0.2 1 75 10 10 LYS CB C 33.206 0.2 1 76 10 10 LYS CG C 24.754 0.2 1 77 10 10 LYS CD C 29.084 0.2 1 78 10 10 LYS CE C 42.414 0.2 1 79 10 10 LYS N N 127.108 0.2 1 80 11 11 VAL H H 8.344 0.02 1 81 11 11 VAL HA H 4.168 0.02 1 82 11 11 VAL HB H 2.094 0.02 1 83 11 11 VAL HG1 H 0.927 0.02 2 84 11 11 VAL C C 176.006 0.2 1 85 11 11 VAL CA C 62.085 0.2 1 86 11 11 VAL CB C 32.937 0.2 1 87 11 11 VAL CG1 C 21.13 0.2 2 88 11 11 VAL CG2 C 20.517 0.2 2 89 11 11 VAL N N 122.994 0.2 1 90 12 12 ASP H H 8.513 0.02 1 91 12 12 ASP HA H 4.628 0.02 1 92 12 12 ASP HB2 H 2.702 0.02 2 93 12 12 ASP C C 176.84 0.2 1 94 12 12 ASP CA C 54.431 0.2 1 95 12 12 ASP CB C 41.375 0.2 1 96 12 12 ASP N N 125.117 0.2 1 97 13 13 GLY H H 8.469 0.02 1 98 13 13 GLY HA2 H 4.008 0.02 2 99 13 13 GLY C C 174.459 0.2 1 100 13 13 GLY CA C 45.571 0.2 1 101 13 13 GLY N N 110.835 0.2 1 102 14 14 SER H H 8.257 0.02 1 103 14 14 SER HA H 4.444 0.02 1 104 14 14 SER HB2 H 3.875 0.02 2 105 14 14 SER C C 174.304 0.2 1 106 14 14 SER CA C 58.592 0.2 1 107 14 14 SER CB C 63.963 0.2 1 108 14 14 SER N N 116.409 0.2 1 109 15 15 GLU H H 8.422 0.02 1 110 15 15 GLU HA H 4.586 0.02 1 111 15 15 GLU HB2 H 2.046 0.02 2 112 15 15 GLU HG2 H 2.299 0.02 2 113 15 15 GLU HG3 H 1.923 0.02 2 114 15 15 GLU CA C 54.691 0.2 1 115 15 15 GLU CB C 29.657 0.2 1 116 15 15 GLU N N 124.448 0.2 1 117 16 16 PRO HA H 4.405 0.02 1 118 16 16 PRO HB2 H 2.289 0.02 2 119 16 16 PRO HB3 H 1.873 0.02 2 120 16 16 PRO HG2 H 2.023 0.02 2 121 16 16 PRO C C 176.813 0.2 1 122 16 16 PRO CA C 63.326 0.2 1 123 16 16 PRO CB C 32.157 0.2 1 124 16 16 PRO CG C 27.501 0.2 1 125 16 16 PRO CD C 50.792 0.2 1 126 17 17 LYS H H 8.454 0.02 1 127 17 17 LYS HA H 4.328 0.02 1 128 17 17 LYS HB2 H 1.815 0.02 2 129 17 17 LYS HB3 H 1.754 0.02 2 130 17 17 LYS HG2 H 1.44 0.02 2 131 17 17 LYS HE2 H 3.017 0.02 2 132 17 17 LYS C C 176.531 0.2 1 133 17 17 LYS CA C 56.108 0.2 1 134 17 17 LYS CB C 32.957 0.2 1 135 17 17 LYS CG C 24.754 0.2 1 136 17 17 LYS CD C 29.148 0.2 1 137 17 17 LYS CE C 42.276 0.2 1 138 17 17 LYS N N 122.614 0.2 1 139 18 18 LEU H H 8.22 0.02 1 140 18 18 LEU HA H 4.46 0.02 1 141 18 18 LEU HB2 H 1.648 0.02 2 142 18 18 LEU HG H 1.517 0.02 1 143 18 18 LEU C C 177.24 0.2 1 144 18 18 LEU CA C 54.724 0.2 1 145 18 18 LEU CB C 43.045 0.2 1 146 18 18 LEU CG C 26.918 0.2 1 147 18 18 LEU N N 124.629 0.2 1 148 19 19 SER H H 8.597 0.02 1 149 19 19 SER HA H 4.23 0.02 1 150 19 19 SER HB2 H 3.998 0.02 2 151 19 19 SER C C 174.815 0.2 1 152 19 19 SER CA C 57.721 0.2 1 153 19 19 SER CB C 64.455 0.2 1 154 19 19 SER N N 118.855 0.2 1 155 20 20 LYS H H 8.786 0.02 1 156 20 20 LYS HA H 4.121 0.02 1 157 20 20 LYS HB2 H 1.879 0.02 2 158 20 20 LYS HG2 H 1.595 0.02 2 159 20 20 LYS HE2 H 3.039 0.02 2 160 20 20 LYS C C 178.654 0.2 1 161 20 20 LYS CA C 59.02 0.2 1 162 20 20 LYS CB C 32.313 0.2 1 163 20 20 LYS CD C 28.809 0.2 1 164 20 20 LYS N N 123.384 0.2 1 165 21 21 ASN H H 8.728 0.02 1 166 21 21 ASN HA H 4.537 0.02 1 167 21 21 ASN HB2 H 2.815 0.02 2 168 21 21 ASN HD21 H 7.682 0.02 1 169 21 21 ASN HD22 H 7.187 0.02 1 170 21 21 ASN C C 177.18 0.2 1 171 21 21 ASN CA C 55.294 0.2 1 172 21 21 ASN CB C 38.498 0.2 1 173 21 21 ASN N N 118.86 0.2 1 174 21 21 ASN ND2 N 113.525 0.2 1 175 22 22 GLU H H 8.143 0.02 1 176 22 22 GLU HA H 4.181 0.02 1 177 22 22 GLU HB2 H 2.044 0.02 2 178 22 22 GLU HG2 H 2.347 0.02 2 179 22 22 GLU HG3 H 2.268 0.02 2 180 22 22 GLU C C 178.282 0.2 1 181 22 22 GLU CA C 58.505 0.2 1 182 22 22 GLU CB C 29.825 0.2 1 183 22 22 GLU CG C 36.215 0.2 1 184 22 22 GLU N N 122.708 0.2 1 185 23 23 LEU H H 8.268 0.02 1 186 23 23 LEU HA H 3.882 0.02 1 187 23 23 LEU HB2 H 1.74 0.02 2 188 23 23 LEU HG H 1.654 0.02 1 189 23 23 LEU C C 178.82 0.2 1 190 23 23 LEU CA C 57.63 0.2 1 191 23 23 LEU CB C 41.77 0.2 1 192 23 23 LEU CG C 27.557 0.2 1 193 23 23 LEU CD1 C 24.56 0.2 2 194 23 23 LEU N N 122.219 0.2 1 195 24 24 LYS H H 8.024 0.02 1 196 24 24 LYS HA H 4.073 0.02 1 197 24 24 LYS HB2 H 1.899 0.02 2 198 24 24 LYS C C 178.626 0.2 1 199 24 24 LYS CA C 58.993 0.2 1 200 24 24 LYS CB C 32.624 0.2 1 201 24 24 LYS CG C 25.109 0.2 1 202 24 24 LYS N N 119.995 0.2 1 203 25 25 ARG H H 7.988 0.02 1 204 25 25 ARG HA H 4.085 0.02 1 205 25 25 ARG HB2 H 1.87 0.02 2 206 25 25 ARG HE H 7.367 0.02 1 207 25 25 ARG C C 178.65 0.2 1 208 25 25 ARG CA C 58.864 0.2 1 209 25 25 ARG CB C 30.594 0.2 1 210 25 25 ARG CG C 27.784 0.2 1 211 25 25 ARG CD C 43.633 0.2 1 212 25 25 ARG N N 120.723 0.2 1 213 25 25 ARG NE N 84.756 0.2 1 214 26 26 ARG H H 8.244 0.02 1 215 26 26 ARG HA H 4.193 0.02 1 216 26 26 ARG HB2 H 2.069 0.02 2 217 26 26 ARG HE H 7.695 0.02 1 218 26 26 ARG C C 178.111 0.2 1 219 26 26 ARG CA C 58.468 0.2 1 220 26 26 ARG CB C 30.217 0.2 1 221 26 26 ARG CG C 27.559 0.2 1 222 26 26 ARG CD C 43.703 0.2 1 223 26 26 ARG N N 121.735 0.2 1 224 26 26 ARG NE N 85.569 0.2 1 225 27 27 LEU H H 8.201 0.02 1 226 27 27 LEU HA H 4.199 0.02 1 227 27 27 LEU HB2 H 1.77 0.02 2 228 27 27 LEU HG H 1.6 0.02 1 229 27 27 LEU HD1 H 0.858 0.02 2 230 27 27 LEU C C 179.184 0.2 1 231 27 27 LEU CA C 57.055 0.2 1 232 27 27 LEU CB C 41.984 0.2 1 233 27 27 LEU N N 121.924 0.2 1 234 28 28 LYS H H 8.022 0.02 1 235 28 28 LYS HA H 4.115 0.02 1 236 28 28 LYS HB2 H 1.883 0.02 2 237 28 28 LYS HG2 H 1.572 0.02 2 238 28 28 LYS HD2 H 1.728 0.02 2 239 28 28 LYS C C 178.056 0.2 1 240 28 28 LYS CA C 58.458 0.2 1 241 28 28 LYS CB C 32.648 0.2 1 242 28 28 LYS CG C 25.211 0.2 1 243 28 28 LYS CE C 41.396 0.2 1 244 28 28 LYS N N 120.967 0.2 1 245 29 29 ALA H H 7.993 0.02 1 246 29 29 ALA HA H 4.218 0.02 1 247 29 29 ALA HB H 1.486 0.02 1 248 29 29 ALA C C 179.454 0.2 1 249 29 29 ALA CA C 54.008 0.2 1 250 29 29 ALA CB C 18.66 0.2 1 251 29 29 ALA N N 123.619 0.2 1 252 30 30 GLU H H 8.215 0.02 1 253 30 30 GLU HA H 4.136 0.02 1 254 30 30 GLU HB2 H 2.075 0.02 2 255 30 30 GLU C C 178.223 0.2 1 256 30 30 GLU CA C 58.088 0.2 1 257 30 30 GLU CB C 30.115 0.2 1 258 30 30 GLU CG C 36.481 0.2 1 259 30 30 GLU N N 119.828 0.2 1 260 31 31 LYS H H 8.105 0.02 1 261 31 31 LYS HA H 4.222 0.02 1 262 31 31 LYS HB2 H 1.889 0.02 2 263 31 31 LYS HG2 H 1.539 0.02 2 264 31 31 LYS C C 177.718 0.2 1 265 31 31 LYS CA C 57.93 0.2 1 266 31 31 LYS CB C 32.672 0.2 1 267 31 31 LYS CG C 24.791 0.2 1 268 31 31 LYS N N 122.204 0.2 1 269 32 32 LYS H H 8.046 0.02 1 270 32 32 LYS HA H 4.252 0.02 1 271 32 32 LYS HB2 H 1.884 0.02 2 272 32 32 LYS HG2 H 1.551 0.02 2 273 32 32 LYS C C 178.211 0.2 1 274 32 32 LYS CA C 57.788 0.2 1 275 32 32 LYS CB C 32.645 0.2 1 276 32 32 LYS CG C 24.924 0.2 1 277 32 32 LYS N N 121.566 0.2 1 278 33 33 VAL H H 7.955 0.02 1 279 33 33 VAL HA H 3.897 0.02 1 280 33 33 VAL HG1 H 0.951 0.02 2 281 33 33 VAL C C 177.081 0.2 1 282 33 33 VAL CA C 64.441 0.2 1 283 33 33 VAL CB C 32.373 0.2 1 284 33 33 VAL CG1 C 21.476 0.2 2 285 33 33 VAL N N 121.499 0.2 1 286 34 34 ALA H H 8.15 0.02 1 287 34 34 ALA HA H 4.254 0.02 1 288 34 34 ALA HB H 1.471 0.02 1 289 34 34 ALA C C 179.541 0.2 1 290 34 34 ALA CA C 53.912 0.2 1 291 34 34 ALA CB C 18.682 0.2 1 292 34 34 ALA N N 125.775 0.2 1 293 35 35 GLU H H 8.329 0.02 1 294 35 35 GLU HA H 4.181 0.02 1 295 35 35 GLU HB2 H 2.08 0.02 2 296 35 35 GLU HG2 H 2.405 0.02 2 297 35 35 GLU HG3 H 2.267 0.02 2 298 35 35 GLU C C 177.913 0.2 1 299 35 35 GLU CA C 57.989 0.2 1 300 35 35 GLU CB C 29.993 0.2 1 301 35 35 GLU CG C 36.374 0.2 1 302 35 35 GLU N N 120.546 0.2 1 303 36 36 LYS H H 8.118 0.02 1 304 36 36 LYS HA H 4.294 0.02 1 305 36 36 LYS HB2 H 1.912 0.02 2 306 36 36 LYS HG2 H 1.544 0.02 2 307 36 36 LYS HG3 H 1.426 0.02 2 308 36 36 LYS HD2 H 1.715 0.02 2 309 36 36 LYS HE2 H 3.007 0.02 2 310 36 36 LYS C C 178.201 0.2 1 311 36 36 LYS CA C 58.171 0.2 1 312 36 36 LYS CB C 32.734 0.2 1 313 36 36 LYS CG C 24.964 0.2 1 314 36 36 LYS CD C 29.378 0.2 1 315 36 36 LYS N N 121.888 0.2 1 316 37 37 GLU H H 8.324 0.02 1 317 37 37 GLU HA H 4.171 0.02 1 318 37 37 GLU HB2 H 2.06 0.02 2 319 37 37 GLU HG2 H 2.38 0.02 2 320 37 37 GLU HG3 H 2.285 0.02 2 321 37 37 GLU C C 177.748 0.2 1 322 37 37 GLU CA C 57.908 0.2 1 323 37 37 GLU CB C 29.944 0.2 1 324 37 37 GLU CG C 36.394 0.2 1 325 37 37 GLU N N 121.205 0.2 1 326 38 38 ALA H H 8.179 0.02 1 327 38 38 ALA HA H 4.239 0.02 1 328 38 38 ALA HB H 1.467 0.02 1 329 38 38 ALA C C 179.257 0.2 1 330 38 38 ALA CA C 53.902 0.2 1 331 38 38 ALA CB C 18.685 0.2 1 332 38 38 ALA N N 124.452 0.2 1 333 39 39 LYS H H 8.117 0.02 1 334 39 39 LYS HA H 4.239 0.02 1 335 39 39 LYS HB2 H 1.873 0.02 2 336 39 39 LYS HG2 H 1.522 0.02 2 337 39 39 LYS C C 177.852 0.2 1 338 39 39 LYS CA C 57.404 0.2 1 339 39 39 LYS CB C 32.653 0.2 1 340 39 39 LYS CG C 24.992 0.2 1 341 39 39 LYS N N 120.301 0.2 1 342 40 40 GLN H H 8.191 0.02 1 343 40 40 GLN HA H 4.228 0.02 1 344 40 40 GLN HB2 H 2.13 0.02 2 345 40 40 GLN HG2 H 2.447 0.02 2 346 40 40 GLN C C 177.355 0.2 1 347 40 40 GLN CA C 56.952 0.2 1 348 40 40 GLN CB C 29.011 0.2 1 349 40 40 GLN CG C 33.955 0.2 1 350 40 40 GLN N N 120.777 0.2 1 351 41 41 LYS H H 8.192 0.02 1 352 41 41 LYS HA H 4.207 0.02 1 353 41 41 LYS HB2 H 1.871 0.02 2 354 41 41 LYS HG2 H 1.534 0.02 2 355 41 41 LYS HE2 H 2.989 0.02 2 356 41 41 LYS C C 177.525 0.2 1 357 41 41 LYS CA C 57.799 0.2 1 358 41 41 LYS CB C 32.842 0.2 1 359 41 41 LYS CG C 24.972 0.2 1 360 41 41 LYS CE C 42.261 0.2 1 361 41 41 LYS N N 122.425 0.2 1 362 42 42 GLU H H 8.2 0.02 1 363 42 42 GLU HA H 4.212 0.02 1 364 42 42 GLU HB2 H 2.08 0.02 2 365 42 42 GLU HG2 H 2.271 0.02 2 366 42 42 GLU C C 177.588 0.2 1 367 42 42 GLU CA C 57.693 0.2 1 368 42 42 GLU CB C 30.037 0.2 1 369 42 42 GLU CG C 36.25 0.2 1 370 42 42 GLU N N 121.486 0.2 1 371 43 43 LEU H H 8.153 0.02 1 372 43 43 LEU HA H 4.308 0.02 1 373 43 43 LEU HB2 H 1.715 0.02 2 374 43 43 LEU HB3 H 1.614 0.02 2 375 43 43 LEU HD1 H 0.901 0.02 2 376 43 43 LEU C C 178.351 0.2 1 377 43 43 LEU CA C 56.202 0.2 1 378 43 43 LEU CB C 42.254 0.2 1 379 43 43 LEU CG C 26.962 0.2 1 380 43 43 LEU CD1 C 25.014 0.2 1 381 43 43 LEU CD2 C 23.519 0.2 1 382 43 43 LEU N N 122.213 0.2 1 383 44 44 SER H H 8.247 0.02 1 384 44 44 SER HA H 4.397 0.02 1 385 44 44 SER HB2 H 3.957 0.02 2 386 44 44 SER C C 175.513 0.2 1 387 44 44 SER CA C 59.361 0.2 1 388 44 44 SER CB C 63.685 0.2 1 389 44 44 SER N N 116.578 0.2 1 390 45 45 GLU H H 8.311 0.02 1 391 45 45 GLU HA H 4.234 0.02 1 392 45 45 GLU HB2 H 2.071 0.02 2 393 45 45 GLU HG2 H 2.378 0.02 2 394 45 45 GLU HG3 H 2.273 0.02 2 395 45 45 GLU C C 177.648 0.2 1 396 45 45 GLU CA C 57.729 0.2 1 397 45 45 GLU CB C 29.912 0.2 1 398 45 45 GLU CG C 36.301 0.2 1 399 45 45 GLU N N 122.744 0.2 1 400 46 46 LYS H H 8.133 0.02 1 401 46 46 LYS HA H 4.246 0.02 1 402 46 46 LYS HB2 H 1.856 0.02 2 403 46 46 LYS HG2 H 1.507 0.02 2 404 46 46 LYS HD2 H 1.724 0.02 2 405 46 46 LYS C C 177.376 0.2 1 406 46 46 LYS CA C 57.378 0.2 1 407 46 46 LYS CB C 32.82 0.2 1 408 46 46 LYS CG C 25.014 0.2 1 409 46 46 LYS N N 121.624 0.2 1 410 47 47 GLN H H 8.205 0.02 1 411 47 47 GLN HA H 4.277 0.02 1 412 47 47 GLN HB2 H 2.109 0.02 2 413 47 47 GLN HG2 H 2.403 0.02 2 414 47 47 GLN C C 176.846 0.2 1 415 47 47 GLN CA C 56.585 0.2 1 416 47 47 GLN CB C 29.157 0.2 1 417 47 47 GLN CG C 33.978 0.2 1 418 47 47 GLN N N 120.94 0.2 1 419 48 48 LEU H H 8.217 0.02 1 420 48 48 LEU HA H 4.334 0.02 1 421 48 48 LEU HB2 H 1.708 0.02 2 422 48 48 LEU HB3 H 1.624 0.02 2 423 48 48 LEU HD1 H 0.895 0.02 2 424 48 48 LEU C C 177.77 0.2 1 425 48 48 LEU CA C 55.927 0.2 1 426 48 48 LEU CB C 42.312 0.2 1 427 48 48 LEU CG C 26.923 0.2 1 428 48 48 LEU CD1 C 25.011 0.2 2 429 48 48 LEU CD2 C 23.499 0.2 2 430 48 48 LEU N N 123.202 0.2 1 431 49 49 SER H H 8.205 0.02 1 432 49 49 SER HA H 4.425 0.02 1 433 49 49 SER HB2 H 3.911 0.02 2 434 49 49 SER C C 174.96 0.2 1 435 49 49 SER CA C 58.866 0.2 1 436 49 49 SER CB C 63.686 0.2 1 437 49 49 SER N N 116.525 0.2 1 438 50 50 GLN H H 8.273 0.02 1 439 50 50 GLN HA H 4.348 0.02 1 440 50 50 GLN HB2 H 2.158 0.02 2 441 50 50 GLN HB3 H 2.019 0.02 2 442 50 50 GLN HG2 H 2.377 0.02 2 443 50 50 GLN C C 176.282 0.2 1 444 50 50 GLN CA C 56.28 0.2 1 445 50 50 GLN CB C 29.38 0.2 1 446 50 50 GLN CG C 33.942 0.2 1 447 50 50 GLN N N 122.503 0.2 1 448 51 51 ALA H H 8.249 0.02 1 449 51 51 ALA HA H 4.355 0.02 1 450 51 51 ALA HB H 1.436 0.02 1 451 51 51 ALA C C 178.239 0.2 1 452 51 51 ALA CA C 53.162 0.2 1 453 51 51 ALA CB C 19.128 0.2 1 454 51 51 ALA N N 125.228 0.2 1 455 52 52 THR H H 8.06 0.02 1 456 52 52 THR HA H 4.335 0.02 1 457 52 52 THR HB H 4.251 0.02 1 458 52 52 THR HG2 H 1.211 0.02 1 459 52 52 THR C C 174.803 0.2 1 460 52 52 THR CA C 62.216 0.2 1 461 52 52 THR CB C 69.769 0.2 1 462 52 52 THR N N 113.847 0.2 1 463 53 53 ALA H H 8.213 0.02 1 464 53 53 ALA CA C 52.93 0.2 1 465 53 53 ALA CB C 19.256 0.2 1 466 53 53 ALA N N 126.944 0.2 1 467 54 54 ALA H H 8.229 0.02 1 468 54 54 ALA HA H 4.285 0.02 1 469 54 54 ALA HB H 1.408 0.02 1 470 54 54 ALA C C 177.825 0.2 1 471 54 54 ALA CA C 52.844 0.2 1 472 54 54 ALA CB C 19.08 0.2 1 473 54 54 ALA N N 124.193 0.2 1 474 55 55 ALA H H 8.173 0.02 1 475 55 55 ALA HA H 4.356 0.02 1 476 55 55 ALA HB H 1.43 0.02 1 477 55 55 ALA C C 178.163 0.2 1 478 55 55 ALA CA C 52.732 0.2 1 479 55 55 ALA CB C 19.236 0.2 1 480 55 55 ALA N N 123.463 0.2 1 481 56 56 THR H H 8.038 0.02 1 482 56 56 THR HA H 4.29 0.02 1 483 56 56 THR HB H 4.198 0.02 1 484 56 56 THR HG2 H 1.271 0.02 1 485 56 56 THR C C 174.333 0.2 1 486 56 56 THR CA C 61.882 0.2 1 487 56 56 THR CB C 69.768 0.2 1 488 56 56 THR N N 113.129 0.2 1 489 57 57 ASN H H 8.329 0.02 1 490 57 57 ASN HA H 4.711 0.02 1 491 57 57 ASN HB2 H 2.793 0.02 2 492 57 57 ASN HD21 H 7.595 0.02 1 493 57 57 ASN HD22 H 6.908 0.02 1 494 57 57 ASN C C 174.9 0.2 1 495 57 57 ASN CA C 53.281 0.2 1 496 57 57 ASN CB C 38.919 0.2 1 497 57 57 ASN N N 121.288 0.2 1 498 57 57 ASN ND2 N 113.509 0.2 1 499 58 58 HIS H H 8.478 0.02 1 500 58 58 HIS HA H 3.991 0.02 1 501 58 58 HIS HB2 H 3.312 0.02 2 502 58 58 HIS HB3 H 3.171 0.02 2 503 58 58 HIS C C 174.808 0.2 1 504 58 58 HIS CA C 55.601 0.2 1 505 58 58 HIS CB C 29.412 0.2 1 506 58 58 HIS N N 120.054 0.2 1 507 59 59 THR H H 8.32 0.02 1 508 59 59 THR HA H 4.421 0.02 1 509 59 59 THR HB H 4.266 0.02 1 510 59 59 THR HG2 H 1.194 0.02 1 511 59 59 THR C C 174.735 0.2 1 512 59 59 THR CA C 62.197 0.2 1 513 59 59 THR CB C 69.875 0.2 1 514 59 59 THR N N 116.322 0.2 1 515 60 60 THR H H 8.18 0.02 1 516 60 60 THR HA H 4.408 0.02 1 517 60 60 THR HB H 4.285 0.02 1 518 60 60 THR HG2 H 1.175 0.02 1 519 60 60 THR C C 174.373 0.2 1 520 60 60 THR CA C 61.699 0.2 1 521 60 60 THR CB C 69.828 0.2 1 522 60 60 THR N N 115.569 0.2 1 523 61 61 ASP H H 8.336 0.02 1 524 61 61 ASP HA H 4.635 0.02 1 525 61 61 ASP HB2 H 2.739 0.02 2 526 61 61 ASP HB3 H 2.658 0.02 2 527 61 61 ASP C C 176.104 0.2 1 528 61 61 ASP CA C 54.529 0.2 1 529 61 61 ASP CB C 41.328 0.2 1 530 61 61 ASP N N 123.355 0.2 1 531 62 62 ASN H H 8.432 0.02 1 532 62 62 ASN HA H 4.699 0.02 1 533 62 62 ASN HB2 H 2.823 0.02 2 534 62 62 ASN HD21 H 7.568 0.02 1 535 62 62 ASN HD22 H 6.88 0.02 1 536 62 62 ASN C C 175.868 0.2 1 537 62 62 ASN CA C 53.473 0.2 1 538 62 62 ASN CB C 38.914 0.2 1 539 62 62 ASN N N 120.055 0.2 1 540 62 62 ASN ND2 N 113.202 0.2 1 541 63 63 GLY H H 8.435 0.02 1 542 63 63 GLY HA2 H 3.992 0.02 2 543 63 63 GLY HA3 H 3.885 0.02 2 544 63 63 GLY C C 174.172 0.2 1 545 63 63 GLY CA C 45.558 0.2 1 546 63 63 GLY N N 109.701 0.2 1 547 64 64 VAL H H 7.857 0.02 1 548 64 64 VAL HA H 4.102 0.02 1 549 64 64 VAL HB H 2.049 0.02 1 550 64 64 VAL HG1 H 0.895 0.02 2 551 64 64 VAL C C 176.101 0.2 1 552 64 64 VAL CA C 62.158 0.2 1 553 64 64 VAL CB C 32.72 0.2 1 554 64 64 VAL CG1 C 20.933 0.2 2 555 64 64 VAL N N 120.056 0.2 1 556 65 65 LEU H H 8.361 0.02 1 557 65 65 LEU HA H 4.615 0.02 1 558 65 65 LEU HB2 H 1.579 0.02 2 559 65 65 LEU HD1 H 0.874 0.02 2 560 65 65 LEU CA C 53.004 0.2 1 561 65 65 LEU CB C 41.869 0.2 1 562 65 65 LEU N N 128.388 0.2 1 563 66 66 PRO HA H 4.417 0.02 1 564 66 66 PRO HB2 H 2.279 0.02 2 565 66 66 PRO HB3 H 1.895 0.02 2 566 66 66 PRO HG2 H 2.015 0.02 2 567 66 66 PRO HD2 H 3.846 0.02 2 568 66 66 PRO HD3 H 3.658 0.02 2 569 66 66 PRO C C 177.055 0.2 1 570 66 66 PRO CA C 63.107 0.2 1 571 66 66 PRO CB C 32.081 0.2 1 572 66 66 PRO CG C 27.473 0.2 1 573 66 66 PRO CD C 50.718 0.2 1 574 67 67 GLU H H 8.564 0.02 1 575 67 67 GLU HA H 4.335 0.02 1 576 67 67 GLU HB2 H 2.063 0.02 2 577 67 67 GLU HB3 H 1.973 0.02 2 578 67 67 GLU HG2 H 2.285 0.02 2 579 67 67 GLU C C 177.012 0.2 1 580 67 67 GLU CA C 56.705 0.2 1 581 67 67 GLU CB C 30.167 0.2 1 582 67 67 GLU CG C 36.239 0.2 1 583 67 67 GLU N N 121.724 0.2 1 584 68 68 THR H H 8.206 0.02 1 585 68 68 THR HA H 4.378 0.02 1 586 68 68 THR HB H 4.275 0.02 1 587 68 68 THR HG2 H 1.18 0.02 1 588 68 68 THR C C 175.392 0.2 1 589 68 68 THR CA C 61.921 0.2 1 590 68 68 THR CB C 69.921 0.2 1 591 68 68 THR CG2 C 21.653 0.2 1 592 68 68 THR N N 115.293 0.2 1 593 69 69 GLY H H 8.491 0.02 1 594 69 69 GLY HA2 H 3.978 0.02 2 595 69 69 GLY C C 174.732 0.2 1 596 69 69 GLY CA C 45.514 0.2 1 597 69 69 GLY N N 111.786 0.2 1 598 70 70 GLY H H 8.271 0.02 1 599 70 70 GLY HA2 H 3.857 0.02 2 600 70 70 GLY C C 174.008 0.2 1 601 70 70 GLY CA C 45.273 0.2 1 602 70 70 GLY N N 108.915 0.2 1 603 71 71 HIS H H 8.298 0.02 1 604 71 71 HIS CA C 55.59 0.2 1 605 71 71 HIS CB C 29.528 0.2 1 606 71 71 HIS N N 118.713 0.2 1 607 75 75 HIS C C 173.824 0.2 1 608 75 75 HIS CA C 55.666 0.2 1 609 75 75 HIS CB C 29.696 0.2 1 610 76 76 HIS H H 8.287 0.02 1 611 76 76 HIS CA C 57.183 0.2 1 612 76 76 HIS CB C 29.936 0.2 1 613 76 76 HIS N N 126.01 0.2 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'This assignment list differs from assigned_chem_shift_list_1 involving residues 62-65.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N 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 rmodN_isoD62 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.374 0.02 1 2 2 2 ALA HB H 1.407 0.02 1 3 2 2 ALA C C 176.971 0.2 1 4 2 2 ALA CA C 52.434 0.2 1 5 2 2 ALA CB C 19.358 0.2 1 6 3 3 ALA H H 8.415 0.02 1 7 3 3 ALA HA H 4.327 0.02 1 8 3 3 ALA HB H 1.385 0.02 1 9 3 3 ALA C C 177.755 0.2 1 10 3 3 ALA CA C 52.427 0.2 1 11 3 3 ALA CB C 19.288 0.2 1 12 3 3 ALA N N 125.033 0.2 1 13 4 4 VAL H H 8.145 0.02 1 14 4 4 VAL HA H 4.086 0.02 1 15 4 4 VAL HB H 2.043 0.02 1 16 4 4 VAL HG1 H 0.939 0.02 2 17 4 4 VAL C C 176.207 0.2 1 18 4 4 VAL CA C 62.268 0.2 1 19 4 4 VAL CB C 32.938 0.2 1 20 4 4 VAL CG1 C 20.93 0.2 2 21 4 4 VAL N N 120.489 0.2 1 22 5 5 GLN H H 8.455 0.02 1 23 5 5 GLN HA H 4.332 0.02 1 24 5 5 GLN HB2 H 2.091 0.02 2 25 5 5 GLN HB3 H 1.98 0.02 2 26 5 5 GLN HG2 H 2.372 0.02 2 27 5 5 GLN C C 175.58 0.2 1 28 5 5 GLN CA C 55.676 0.2 1 29 5 5 GLN CB C 29.66 0.2 1 30 5 5 GLN CG C 33.845 0.2 1 31 5 5 GLN N N 125.338 0.2 1 32 6 6 ALA H H 8.39 0.02 1 33 6 6 ALA HA H 4.285 0.02 1 34 6 6 ALA HB H 1.394 0.02 1 35 6 6 ALA C C 177.376 0.2 1 36 6 6 ALA CA C 52.554 0.2 1 37 6 6 ALA CB C 19.391 0.2 1 38 6 6 ALA N N 126.926 0.2 1 39 7 7 ALA H H 8.276 0.02 1 40 7 7 ALA HA H 4.294 0.02 1 41 7 7 ALA HB H 1.388 0.02 1 42 7 7 ALA C C 177.699 0.2 1 43 7 7 ALA CA C 52.472 0.2 1 44 7 7 ALA CB C 19.406 0.2 1 45 7 7 ALA N N 124.002 0.2 1 46 8 8 GLU H H 8.339 0.02 1 47 8 8 GLU HA H 4.285 0.02 1 48 8 8 GLU HB2 H 2.01 0.02 2 49 8 8 GLU HB3 H 1.947 0.02 2 50 8 8 GLU HG2 H 2.269 0.02 2 51 8 8 GLU HG3 H 2.217 0.02 2 52 8 8 GLU C C 176.336 0.2 1 53 8 8 GLU CA C 56.469 0.2 1 54 8 8 GLU CB C 30.474 0.2 1 55 8 8 GLU CG C 36.238 0.2 1 56 8 8 GLU N N 120.986 0.2 1 57 9 9 VAL H H 8.18 0.02 1 58 9 9 VAL HA H 4.078 0.02 1 59 9 9 VAL HB H 2.033 0.02 1 60 9 9 VAL HG1 H 0.926 0.02 2 61 9 9 VAL C C 175.88 0.2 1 62 9 9 VAL CA C 62.284 0.2 1 63 9 9 VAL CB C 32.776 0.2 1 64 9 9 VAL CG1 C 20.985 0.2 2 65 9 9 VAL N N 123.149 0.2 1 66 10 10 LYS H H 8.453 0.02 1 67 10 10 LYS HA H 4.409 0.02 1 68 10 10 LYS HB2 H 1.796 0.02 2 69 10 10 LYS HB3 H 1.75 0.02 2 70 10 10 LYS HG2 H 1.404 0.02 2 71 10 10 LYS HD2 H 1.678 0.02 2 72 10 10 LYS HE2 H 2.989 0.02 2 73 10 10 LYS C C 176.476 0.2 1 74 10 10 LYS CA C 55.923 0.2 1 75 10 10 LYS CB C 33.206 0.2 1 76 10 10 LYS CG C 24.754 0.2 1 77 10 10 LYS CD C 29.084 0.2 1 78 10 10 LYS CE C 42.414 0.2 1 79 10 10 LYS N N 127.108 0.2 1 80 11 11 VAL H H 8.344 0.02 1 81 11 11 VAL HA H 4.168 0.02 1 82 11 11 VAL HB H 2.094 0.02 1 83 11 11 VAL HG1 H 0.927 0.02 2 84 11 11 VAL C C 176.006 0.2 1 85 11 11 VAL CA C 62.085 0.2 1 86 11 11 VAL CB C 32.937 0.2 1 87 11 11 VAL CG1 C 21.13 0.2 2 88 11 11 VAL CG2 C 20.517 0.2 2 89 11 11 VAL N N 122.994 0.2 1 90 12 12 ASP H H 8.513 0.02 1 91 12 12 ASP HA H 4.628 0.02 1 92 12 12 ASP HB2 H 2.702 0.02 2 93 12 12 ASP C C 176.84 0.2 1 94 12 12 ASP CA C 54.431 0.2 1 95 12 12 ASP CB C 41.375 0.2 1 96 12 12 ASP N N 125.117 0.2 1 97 13 13 GLY H H 8.469 0.02 1 98 13 13 GLY HA2 H 4.008 0.02 2 99 13 13 GLY C C 174.459 0.2 1 100 13 13 GLY CA C 45.571 0.2 1 101 13 13 GLY N N 110.835 0.2 1 102 14 14 SER H H 8.257 0.02 1 103 14 14 SER HA H 4.444 0.02 1 104 14 14 SER HB2 H 3.875 0.02 2 105 14 14 SER C C 174.304 0.2 1 106 14 14 SER CA C 58.592 0.2 1 107 14 14 SER CB C 63.963 0.2 1 108 14 14 SER N N 116.409 0.2 1 109 15 15 GLU H H 8.422 0.02 1 110 15 15 GLU HA H 4.586 0.02 1 111 15 15 GLU HB2 H 2.046 0.02 2 112 15 15 GLU HG2 H 2.299 0.02 2 113 15 15 GLU HG3 H 1.923 0.02 2 114 15 15 GLU CA C 54.691 0.2 1 115 15 15 GLU CB C 29.657 0.2 1 116 15 15 GLU N N 124.448 0.2 1 117 16 16 PRO HA H 4.405 0.02 1 118 16 16 PRO HB2 H 2.289 0.02 2 119 16 16 PRO HB3 H 1.873 0.02 2 120 16 16 PRO HG2 H 2.023 0.02 2 121 16 16 PRO C C 176.813 0.2 1 122 16 16 PRO CA C 63.326 0.2 1 123 16 16 PRO CB C 32.157 0.2 1 124 16 16 PRO CG C 27.501 0.2 1 125 16 16 PRO CD C 50.792 0.2 1 126 17 17 LYS H H 8.454 0.02 1 127 17 17 LYS HA H 4.328 0.02 1 128 17 17 LYS HB2 H 1.815 0.02 2 129 17 17 LYS HB3 H 1.754 0.02 2 130 17 17 LYS HG2 H 1.44 0.02 2 131 17 17 LYS HE2 H 3.017 0.02 2 132 17 17 LYS C C 176.531 0.2 1 133 17 17 LYS CA C 56.108 0.2 1 134 17 17 LYS CB C 32.957 0.2 1 135 17 17 LYS CG C 24.754 0.2 1 136 17 17 LYS CD C 29.148 0.2 1 137 17 17 LYS CE C 42.276 0.2 1 138 17 17 LYS N N 122.614 0.2 1 139 18 18 LEU H H 8.22 0.02 1 140 18 18 LEU HA H 4.46 0.02 1 141 18 18 LEU HB2 H 1.648 0.02 2 142 18 18 LEU HG H 1.517 0.02 1 143 18 18 LEU C C 177.24 0.2 1 144 18 18 LEU CA C 54.724 0.2 1 145 18 18 LEU CB C 43.045 0.2 1 146 18 18 LEU CG C 26.918 0.2 1 147 18 18 LEU N N 124.629 0.2 1 148 19 19 SER H H 8.597 0.02 1 149 19 19 SER HA H 4.23 0.02 1 150 19 19 SER HB2 H 3.998 0.02 2 151 19 19 SER C C 174.815 0.2 1 152 19 19 SER CA C 57.721 0.2 1 153 19 19 SER CB C 64.455 0.2 1 154 19 19 SER N N 118.855 0.2 1 155 20 20 LYS H H 8.786 0.02 1 156 20 20 LYS HA H 4.121 0.02 1 157 20 20 LYS HB2 H 1.879 0.02 2 158 20 20 LYS HG2 H 1.595 0.02 2 159 20 20 LYS HE2 H 3.039 0.02 2 160 20 20 LYS C C 178.654 0.2 1 161 20 20 LYS CA C 59.02 0.2 1 162 20 20 LYS CB C 32.313 0.2 1 163 20 20 LYS CD C 28.809 0.2 1 164 20 20 LYS N N 123.384 0.2 1 165 21 21 ASN H H 8.728 0.02 1 166 21 21 ASN HA H 4.537 0.02 1 167 21 21 ASN HB2 H 2.815 0.02 2 168 21 21 ASN HD21 H 7.682 0.02 1 169 21 21 ASN HD22 H 7.187 0.02 1 170 21 21 ASN C C 177.18 0.2 1 171 21 21 ASN CA C 55.294 0.2 1 172 21 21 ASN CB C 38.498 0.2 1 173 21 21 ASN N N 118.86 0.2 1 174 21 21 ASN ND2 N 113.525 0.2 1 175 22 22 GLU H H 8.143 0.02 1 176 22 22 GLU HA H 4.181 0.02 1 177 22 22 GLU HB2 H 2.044 0.02 2 178 22 22 GLU HG2 H 2.347 0.02 2 179 22 22 GLU HG3 H 2.268 0.02 2 180 22 22 GLU C C 178.282 0.2 1 181 22 22 GLU CA C 58.505 0.2 1 182 22 22 GLU CB C 29.825 0.2 1 183 22 22 GLU CG C 36.215 0.2 1 184 22 22 GLU N N 122.708 0.2 1 185 23 23 LEU H H 8.268 0.02 1 186 23 23 LEU HA H 3.882 0.02 1 187 23 23 LEU HB2 H 1.74 0.02 2 188 23 23 LEU HG H 1.654 0.02 1 189 23 23 LEU C C 178.82 0.2 1 190 23 23 LEU CA C 57.63 0.2 1 191 23 23 LEU CB C 41.77 0.2 1 192 23 23 LEU CG C 27.557 0.2 1 193 23 23 LEU CD1 C 24.56 0.2 2 194 23 23 LEU N N 122.219 0.2 1 195 24 24 LYS H H 8.024 0.02 1 196 24 24 LYS HA H 4.073 0.02 1 197 24 24 LYS HB2 H 1.899 0.02 2 198 24 24 LYS C C 178.626 0.2 1 199 24 24 LYS CA C 58.993 0.2 1 200 24 24 LYS CB C 32.624 0.2 1 201 24 24 LYS CG C 25.109 0.2 1 202 24 24 LYS N N 119.995 0.2 1 203 25 25 ARG H H 7.988 0.02 1 204 25 25 ARG HA H 4.085 0.02 1 205 25 25 ARG HB2 H 1.87 0.02 2 206 25 25 ARG HE H 7.367 0.02 1 207 25 25 ARG C C 178.65 0.2 1 208 25 25 ARG CA C 58.864 0.2 1 209 25 25 ARG CB C 30.594 0.2 1 210 25 25 ARG CG C 27.784 0.2 1 211 25 25 ARG CD C 43.633 0.2 1 212 25 25 ARG N N 120.723 0.2 1 213 25 25 ARG NE N 84.756 0.2 1 214 26 26 ARG H H 8.244 0.02 1 215 26 26 ARG HA H 4.193 0.02 1 216 26 26 ARG HB2 H 2.069 0.02 2 217 26 26 ARG HE H 7.695 0.02 1 218 26 26 ARG C C 178.111 0.2 1 219 26 26 ARG CA C 58.468 0.2 1 220 26 26 ARG CB C 30.217 0.2 1 221 26 26 ARG CG C 27.559 0.2 1 222 26 26 ARG CD C 43.703 0.2 1 223 26 26 ARG N N 121.735 0.2 1 224 26 26 ARG NE N 85.569 0.2 1 225 27 27 LEU H H 8.201 0.02 1 226 27 27 LEU HA H 4.199 0.02 1 227 27 27 LEU HB2 H 1.77 0.02 2 228 27 27 LEU HG H 1.6 0.02 1 229 27 27 LEU HD1 H 0.858 0.02 2 230 27 27 LEU C C 179.184 0.2 1 231 27 27 LEU CA C 57.055 0.2 1 232 27 27 LEU CB C 41.984 0.2 1 233 27 27 LEU N N 121.924 0.2 1 234 28 28 LYS H H 8.022 0.02 1 235 28 28 LYS HA H 4.115 0.02 1 236 28 28 LYS HB2 H 1.883 0.02 2 237 28 28 LYS HG2 H 1.572 0.02 2 238 28 28 LYS HD2 H 1.728 0.02 2 239 28 28 LYS C C 178.056 0.2 1 240 28 28 LYS CA C 58.458 0.2 1 241 28 28 LYS CB C 32.648 0.2 1 242 28 28 LYS CG C 25.211 0.2 1 243 28 28 LYS CE C 41.396 0.2 1 244 28 28 LYS N N 120.967 0.2 1 245 29 29 ALA H H 7.993 0.02 1 246 29 29 ALA HA H 4.218 0.02 1 247 29 29 ALA HB H 1.486 0.02 1 248 29 29 ALA C C 179.454 0.2 1 249 29 29 ALA CA C 54.008 0.2 1 250 29 29 ALA CB C 18.66 0.2 1 251 29 29 ALA N N 123.619 0.2 1 252 30 30 GLU H H 8.215 0.02 1 253 30 30 GLU HA H 4.136 0.02 1 254 30 30 GLU HB2 H 2.075 0.02 2 255 30 30 GLU C C 178.223 0.2 1 256 30 30 GLU CA C 58.088 0.2 1 257 30 30 GLU CB C 30.115 0.2 1 258 30 30 GLU CG C 36.481 0.2 1 259 30 30 GLU N N 119.828 0.2 1 260 31 31 LYS H H 8.105 0.02 1 261 31 31 LYS HA H 4.222 0.02 1 262 31 31 LYS HB2 H 1.889 0.02 2 263 31 31 LYS HG2 H 1.539 0.02 2 264 31 31 LYS C C 177.718 0.2 1 265 31 31 LYS CA C 57.93 0.2 1 266 31 31 LYS CB C 32.672 0.2 1 267 31 31 LYS CG C 24.791 0.2 1 268 31 31 LYS N N 122.204 0.2 1 269 32 32 LYS H H 8.046 0.02 1 270 32 32 LYS HA H 4.252 0.02 1 271 32 32 LYS HB2 H 1.884 0.02 2 272 32 32 LYS HG2 H 1.551 0.02 2 273 32 32 LYS C C 178.211 0.2 1 274 32 32 LYS CA C 57.788 0.2 1 275 32 32 LYS CB C 32.645 0.2 1 276 32 32 LYS CG C 24.924 0.2 1 277 32 32 LYS N N 121.566 0.2 1 278 33 33 VAL H H 7.955 0.02 1 279 33 33 VAL HA H 3.897 0.02 1 280 33 33 VAL HG1 H 0.951 0.02 2 281 33 33 VAL C C 177.081 0.2 1 282 33 33 VAL CA C 64.441 0.2 1 283 33 33 VAL CB C 32.373 0.2 1 284 33 33 VAL CG1 C 21.476 0.2 2 285 33 33 VAL N N 121.499 0.2 1 286 34 34 ALA H H 8.15 0.02 1 287 34 34 ALA HA H 4.254 0.02 1 288 34 34 ALA HB H 1.471 0.02 1 289 34 34 ALA C C 179.541 0.2 1 290 34 34 ALA CA C 53.912 0.2 1 291 34 34 ALA CB C 18.682 0.2 1 292 34 34 ALA N N 125.775 0.2 1 293 35 35 GLU H H 8.329 0.02 1 294 35 35 GLU HA H 4.181 0.02 1 295 35 35 GLU HB2 H 2.08 0.02 2 296 35 35 GLU HG2 H 2.405 0.02 2 297 35 35 GLU HG3 H 2.267 0.02 2 298 35 35 GLU C C 177.913 0.2 1 299 35 35 GLU CA C 57.989 0.2 1 300 35 35 GLU CB C 29.993 0.2 1 301 35 35 GLU CG C 36.374 0.2 1 302 35 35 GLU N N 120.546 0.2 1 303 36 36 LYS H H 8.118 0.02 1 304 36 36 LYS HA H 4.294 0.02 1 305 36 36 LYS HB2 H 1.912 0.02 2 306 36 36 LYS HG2 H 1.544 0.02 2 307 36 36 LYS HG3 H 1.426 0.02 2 308 36 36 LYS HD2 H 1.715 0.02 2 309 36 36 LYS HE2 H 3.007 0.02 2 310 36 36 LYS C C 178.201 0.2 1 311 36 36 LYS CA C 58.171 0.2 1 312 36 36 LYS CB C 32.734 0.2 1 313 36 36 LYS CG C 24.964 0.2 1 314 36 36 LYS CD C 29.378 0.2 1 315 36 36 LYS N N 121.888 0.2 1 316 37 37 GLU H H 8.324 0.02 1 317 37 37 GLU HA H 4.171 0.02 1 318 37 37 GLU HB2 H 2.06 0.02 2 319 37 37 GLU HG2 H 2.38 0.02 2 320 37 37 GLU HG3 H 2.285 0.02 2 321 37 37 GLU C C 177.748 0.2 1 322 37 37 GLU CA C 57.908 0.2 1 323 37 37 GLU CB C 29.944 0.2 1 324 37 37 GLU CG C 36.394 0.2 1 325 37 37 GLU N N 121.205 0.2 1 326 38 38 ALA H H 8.179 0.02 1 327 38 38 ALA HA H 4.239 0.02 1 328 38 38 ALA HB H 1.467 0.02 1 329 38 38 ALA C C 179.257 0.2 1 330 38 38 ALA CA C 53.902 0.2 1 331 38 38 ALA CB C 18.685 0.2 1 332 38 38 ALA N N 124.452 0.2 1 333 39 39 LYS H H 8.117 0.02 1 334 39 39 LYS HA H 4.239 0.02 1 335 39 39 LYS HB2 H 1.873 0.02 2 336 39 39 LYS HG2 H 1.522 0.02 2 337 39 39 LYS C C 177.852 0.2 1 338 39 39 LYS CA C 57.404 0.2 1 339 39 39 LYS CB C 32.653 0.2 1 340 39 39 LYS CG C 24.992 0.2 1 341 39 39 LYS N N 120.301 0.2 1 342 40 40 GLN H H 8.191 0.02 1 343 40 40 GLN HA H 4.228 0.02 1 344 40 40 GLN HB2 H 2.13 0.02 2 345 40 40 GLN HG2 H 2.447 0.02 2 346 40 40 GLN C C 177.355 0.2 1 347 40 40 GLN CA C 56.952 0.2 1 348 40 40 GLN CB C 29.011 0.2 1 349 40 40 GLN CG C 33.955 0.2 1 350 40 40 GLN N N 120.777 0.2 1 351 41 41 LYS H H 8.192 0.02 1 352 41 41 LYS HA H 4.207 0.02 1 353 41 41 LYS HB2 H 1.871 0.02 2 354 41 41 LYS HG2 H 1.534 0.02 2 355 41 41 LYS HE2 H 2.989 0.02 2 356 41 41 LYS C C 177.525 0.2 1 357 41 41 LYS CA C 57.799 0.2 1 358 41 41 LYS CB C 32.842 0.2 1 359 41 41 LYS CG C 24.972 0.2 1 360 41 41 LYS CE C 42.261 0.2 1 361 41 41 LYS N N 122.425 0.2 1 362 42 42 GLU H H 8.2 0.02 1 363 42 42 GLU HA H 4.212 0.02 1 364 42 42 GLU HB2 H 2.08 0.02 2 365 42 42 GLU HG2 H 2.271 0.02 2 366 42 42 GLU C C 177.588 0.2 1 367 42 42 GLU CA C 57.693 0.2 1 368 42 42 GLU CB C 30.037 0.2 1 369 42 42 GLU CG C 36.25 0.2 1 370 42 42 GLU N N 121.486 0.2 1 371 43 43 LEU H H 8.153 0.02 1 372 43 43 LEU HA H 4.308 0.02 1 373 43 43 LEU HB2 H 1.715 0.02 2 374 43 43 LEU HB3 H 1.614 0.02 2 375 43 43 LEU HD1 H 0.901 0.02 2 376 43 43 LEU C C 178.351 0.2 1 377 43 43 LEU CA C 56.202 0.2 1 378 43 43 LEU CB C 42.254 0.2 1 379 43 43 LEU CG C 26.962 0.2 1 380 43 43 LEU CD1 C 25.014 0.2 1 381 43 43 LEU CD2 C 23.519 0.2 1 382 43 43 LEU N N 122.213 0.2 1 383 44 44 SER H H 8.247 0.02 1 384 44 44 SER HA H 4.397 0.02 1 385 44 44 SER HB2 H 3.957 0.02 2 386 44 44 SER C C 175.513 0.2 1 387 44 44 SER CA C 59.361 0.2 1 388 44 44 SER CB C 63.685 0.2 1 389 44 44 SER N N 116.578 0.2 1 390 45 45 GLU H H 8.311 0.02 1 391 45 45 GLU HA H 4.234 0.02 1 392 45 45 GLU HB2 H 2.071 0.02 2 393 45 45 GLU HG2 H 2.378 0.02 2 394 45 45 GLU HG3 H 2.273 0.02 2 395 45 45 GLU C C 177.648 0.2 1 396 45 45 GLU CA C 57.729 0.2 1 397 45 45 GLU CB C 29.912 0.2 1 398 45 45 GLU CG C 36.301 0.2 1 399 45 45 GLU N N 122.744 0.2 1 400 46 46 LYS H H 8.133 0.02 1 401 46 46 LYS HA H 4.246 0.02 1 402 46 46 LYS HB2 H 1.856 0.02 2 403 46 46 LYS HG2 H 1.507 0.02 2 404 46 46 LYS HD2 H 1.724 0.02 2 405 46 46 LYS C C 177.376 0.2 1 406 46 46 LYS CA C 57.378 0.2 1 407 46 46 LYS CB C 32.82 0.2 1 408 46 46 LYS CG C 25.014 0.2 1 409 46 46 LYS N N 121.624 0.2 1 410 47 47 GLN H H 8.205 0.02 1 411 47 47 GLN HA H 4.277 0.02 1 412 47 47 GLN HB2 H 2.109 0.02 2 413 47 47 GLN HG2 H 2.403 0.02 2 414 47 47 GLN C C 176.846 0.2 1 415 47 47 GLN CA C 56.585 0.2 1 416 47 47 GLN CB C 29.157 0.2 1 417 47 47 GLN CG C 33.978 0.2 1 418 47 47 GLN N N 120.94 0.2 1 419 48 48 LEU H H 8.217 0.02 1 420 48 48 LEU HA H 4.334 0.02 1 421 48 48 LEU HB2 H 1.708 0.02 2 422 48 48 LEU HB3 H 1.624 0.02 2 423 48 48 LEU HD1 H 0.895 0.02 2 424 48 48 LEU C C 177.77 0.2 1 425 48 48 LEU CA C 55.927 0.2 1 426 48 48 LEU CB C 42.312 0.2 1 427 48 48 LEU CG C 26.923 0.2 1 428 48 48 LEU CD1 C 25.011 0.2 2 429 48 48 LEU CD2 C 23.499 0.2 2 430 48 48 LEU N N 123.202 0.2 1 431 49 49 SER H H 8.205 0.02 1 432 49 49 SER HA H 4.425 0.02 1 433 49 49 SER HB2 H 3.911 0.02 2 434 49 49 SER C C 174.96 0.2 1 435 49 49 SER CA C 58.866 0.2 1 436 49 49 SER CB C 63.686 0.2 1 437 49 49 SER N N 116.525 0.2 1 438 50 50 GLN H H 8.273 0.02 1 439 50 50 GLN HA H 4.348 0.02 1 440 50 50 GLN HB2 H 2.158 0.02 2 441 50 50 GLN HB3 H 2.019 0.02 2 442 50 50 GLN HG2 H 2.377 0.02 2 443 50 50 GLN C C 176.282 0.2 1 444 50 50 GLN CA C 56.28 0.2 1 445 50 50 GLN CB C 29.38 0.2 1 446 50 50 GLN CG C 33.942 0.2 1 447 50 50 GLN N N 122.503 0.2 1 448 51 51 ALA H H 8.249 0.02 1 449 51 51 ALA HA H 4.355 0.02 1 450 51 51 ALA HB H 1.436 0.02 1 451 51 51 ALA C C 178.239 0.2 1 452 51 51 ALA CA C 53.162 0.2 1 453 51 51 ALA CB C 19.128 0.2 1 454 51 51 ALA N N 125.228 0.2 1 455 52 52 THR H H 8.06 0.02 1 456 52 52 THR HA H 4.335 0.02 1 457 52 52 THR HB H 4.251 0.02 1 458 52 52 THR HG2 H 1.211 0.02 1 459 52 52 THR C C 174.803 0.2 1 460 52 52 THR CA C 62.216 0.2 1 461 52 52 THR CB C 69.769 0.2 1 462 52 52 THR N N 113.847 0.2 1 463 53 53 ALA H H 8.213 0.02 1 464 53 53 ALA CA C 52.93 0.2 1 465 53 53 ALA CB C 19.256 0.2 1 466 53 53 ALA N N 126.944 0.2 1 467 54 54 ALA H H 8.229 0.02 1 468 54 54 ALA HA H 4.285 0.02 1 469 54 54 ALA HB H 1.408 0.02 1 470 54 54 ALA C C 177.825 0.2 1 471 54 54 ALA CA C 52.844 0.2 1 472 54 54 ALA CB C 19.08 0.2 1 473 54 54 ALA N N 124.193 0.2 1 474 55 55 ALA H H 8.173 0.02 1 475 55 55 ALA HA H 4.356 0.02 1 476 55 55 ALA HB H 1.43 0.02 1 477 55 55 ALA C C 178.163 0.2 1 478 55 55 ALA CA C 52.732 0.2 1 479 55 55 ALA CB C 19.236 0.2 1 480 55 55 ALA N N 123.463 0.2 1 481 56 56 THR H H 8.038 0.02 1 482 56 56 THR HA H 4.29 0.02 1 483 56 56 THR HB H 4.198 0.02 1 484 56 56 THR HG2 H 1.271 0.02 1 485 56 56 THR C C 174.333 0.2 1 486 56 56 THR CA C 61.882 0.2 1 487 56 56 THR CB C 69.768 0.2 1 488 56 56 THR N N 113.129 0.2 1 489 57 57 ASN H H 8.329 0.02 1 490 57 57 ASN HA H 4.711 0.02 1 491 57 57 ASN HB2 H 2.793 0.02 2 492 57 57 ASN HD21 H 7.595 0.02 1 493 57 57 ASN HD22 H 6.908 0.02 1 494 57 57 ASN C C 174.9 0.2 1 495 57 57 ASN CA C 53.281 0.2 1 496 57 57 ASN CB C 38.919 0.2 1 497 57 57 ASN N N 121.288 0.2 1 498 57 57 ASN ND2 N 113.509 0.2 1 499 58 58 HIS H H 8.478 0.02 1 500 58 58 HIS HA H 3.991 0.02 1 501 58 58 HIS HB2 H 3.312 0.02 2 502 58 58 HIS HB3 H 3.171 0.02 2 503 58 58 HIS C C 174.808 0.2 1 504 58 58 HIS CA C 55.601 0.2 1 505 58 58 HIS CB C 29.412 0.2 1 506 58 58 HIS N N 120.054 0.2 1 507 59 59 THR H H 8.32 0.02 1 508 59 59 THR HA H 4.421 0.02 1 509 59 59 THR HB H 4.266 0.02 1 510 59 59 THR HG2 H 1.194 0.02 1 511 59 59 THR C C 174.735 0.2 1 512 59 59 THR CA C 62.197 0.2 1 513 59 59 THR CB C 69.875 0.2 1 514 59 59 THR N N 116.322 0.2 1 515 60 60 THR H H 8.18 0.02 1 516 60 60 THR HA H 4.408 0.02 1 517 60 60 THR HB H 4.285 0.02 1 518 60 60 THR HG2 H 1.175 0.02 1 519 60 60 THR C C 174.373 0.2 1 520 60 60 THR CA C 61.699 0.2 1 521 60 60 THR CB C 69.828 0.2 1 522 60 60 THR N N 115.569 0.2 1 523 61 61 ASP H H 8.336 0.02 1 524 61 61 ASP HA H 4.635 0.02 1 525 61 61 ASP HB2 H 2.739 0.02 2 526 61 61 ASP HB3 H 2.658 0.02 2 527 61 61 ASP C C 176.104 0.2 1 528 61 61 ASP CA C 54.529 0.2 1 529 61 61 ASP CB C 41.328 0.2 1 530 61 61 ASP N N 123.355 0.2 1 531 62 62 ASP H H 7.995 0.02 1 532 62 62 ASP HA H 4.473 0.02 1 533 62 62 ASP HB2 H 2.799 0.02 2 534 62 62 ASP HB3 H 2.7 0.02 2 535 62 62 ASP C C 176.175 0.2 1 536 62 62 ASP CA C 41.113 0.2 1 537 62 62 ASP CB C 54.893 0.2 1 538 62 62 ASP N N 124.555 0.2 1 539 63 63 GLY H H 8.383 0.02 1 540 63 63 GLY HA2 H 3.932 0.02 2 541 63 63 GLY C C 173.979 0.2 1 542 63 63 GLY CA C 45.563 0.2 1 543 63 63 GLY N N 109.663 0.2 1 544 64 64 VAL H H 8.087 0.02 1 545 64 64 VAL HA H 4.128 0.02 1 546 64 64 VAL HB H 2.04 0.02 1 547 64 64 VAL HG1 H 0.9 0.02 2 548 64 64 VAL C C 176.234 0.2 1 549 64 64 VAL CA C 62.118 0.2 1 550 64 64 VAL CB C 32.822 0.2 1 551 64 64 VAL CG1 C 20.936 0.2 2 552 64 64 VAL N N 120.001 0.2 1 553 65 65 LEU H H 8.386 0.006 1 554 65 65 LEU HA H 4.615 0.02 1 555 65 65 LEU HB2 H 1.579 0.02 2 556 65 65 LEU HD1 H 0.874 0.02 2 557 65 65 LEU CA C 53.053 0.2 1 558 65 65 LEU CB C 41.771 0.2 1 559 65 65 LEU N N 128.285 0.2 1 560 66 66 PRO HA H 4.417 0.02 1 561 66 66 PRO HB2 H 2.279 0.02 2 562 66 66 PRO HB3 H 1.895 0.02 2 563 66 66 PRO HG2 H 2.015 0.02 2 564 66 66 PRO HD2 H 3.846 0.02 2 565 66 66 PRO HD3 H 3.658 0.02 2 566 66 66 PRO C C 177.055 0.2 1 567 66 66 PRO CA C 63.107 0.2 1 568 66 66 PRO CB C 32.081 0.2 1 569 66 66 PRO CG C 27.473 0.2 1 570 66 66 PRO CD C 50.718 0.2 1 571 67 67 GLU H H 8.564 0.02 1 572 67 67 GLU HA H 4.335 0.02 1 573 67 67 GLU HB2 H 2.063 0.02 2 574 67 67 GLU HB3 H 1.973 0.02 2 575 67 67 GLU HG2 H 2.285 0.02 2 576 67 67 GLU C C 177.012 0.2 1 577 67 67 GLU CA C 56.705 0.2 1 578 67 67 GLU CB C 30.167 0.2 1 579 67 67 GLU CG C 36.239 0.2 1 580 67 67 GLU N N 121.724 0.2 1 581 68 68 THR H H 8.206 0.02 1 582 68 68 THR HA H 4.378 0.02 1 583 68 68 THR HB H 4.275 0.02 1 584 68 68 THR HG2 H 1.18 0.02 1 585 68 68 THR C C 175.392 0.2 1 586 68 68 THR CA C 61.921 0.2 1 587 68 68 THR CB C 69.921 0.2 1 588 68 68 THR CG2 C 21.653 0.2 1 589 68 68 THR N N 115.293 0.2 1 590 69 69 GLY H H 8.491 0.02 1 591 69 69 GLY HA2 H 3.978 0.02 2 592 69 69 GLY C C 174.732 0.2 1 593 69 69 GLY CA C 45.514 0.2 1 594 69 69 GLY N N 111.786 0.2 1 595 70 70 GLY H H 8.271 0.02 1 596 70 70 GLY HA2 H 3.857 0.02 2 597 70 70 GLY C C 174.008 0.2 1 598 70 70 GLY CA C 45.273 0.2 1 599 70 70 GLY N N 108.915 0.2 1 600 71 71 HIS H H 8.298 0.02 1 601 71 71 HIS CA C 55.59 0.2 1 602 71 71 HIS CB C 29.528 0.2 1 603 71 71 HIS N N 118.713 0.2 1 604 75 75 HIS C C 173.824 0.2 1 605 75 75 HIS CA C 55.666 0.2 1 606 75 75 HIS CB C 29.696 0.2 1 607 76 76 HIS H H 8.287 0.02 1 608 76 76 HIS CA C 57.183 0.2 1 609 76 76 HIS CB C 29.936 0.2 1 610 76 76 HIS N N 126.01 0.2 1 stop_ save_