data_18696 ####################### # 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 ; _BMRB_accession_number 18696 _BMRB_flat_file_name bmr18696.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" 560 "13C chemical shifts" 574 "15N chemical shifts" 143 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 18697 'rmodN-ACSL complex' 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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rmodN $rmodN rmodN_isoD62 $rmodN_isoD62 stop_ _System_molecular_weight 8311 _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 18697 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 18697 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 1.5 mM '[U-100% 13C; U-100% 15N]' '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 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HN(CA)CO' 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 4.346 0.02 1 2 2 2 ALA HB H 1.392 0.02 1 3 2 2 ALA C C 176.973 0.2 1 4 2 2 ALA CA C 52.442 0.2 1 5 2 2 ALA CB C 19.328 0.2 1 6 3 3 ALA H H 8.417 0.02 1 7 3 3 ALA HA H 4.309 0.02 1 8 3 3 ALA HB H 1.374 0.02 1 9 3 3 ALA C C 177.74 0.2 1 10 3 3 ALA CA C 52.444 0.2 1 11 3 3 ALA CB C 19.309 0.2 1 12 3 3 ALA N N 125.06 0.2 1 13 4 4 VAL H H 8.155 0.02 1 14 4 4 VAL HA H 4.078 0.02 1 15 4 4 VAL HB H 2.028 0.02 1 16 4 4 VAL HG1 H 0.929 0.02 2 17 4 4 VAL C C 176.193 0.2 1 18 4 4 VAL CA C 62.292 0.2 1 19 4 4 VAL CB C 33.013 0.2 1 20 4 4 VAL CG1 C 20.859 0.2 2 21 4 4 VAL N N 120.563 0.2 1 22 5 5 GLN H H 8.462 0.02 1 23 5 5 GLN HA H 4.329 0.02 1 24 5 5 GLN HB2 H 2.085 0.02 2 25 5 5 GLN HB3 H 1.97 0.02 2 26 5 5 GLN HG2 H 2.364 0.02 2 27 5 5 GLN C C 175.559 0.2 1 28 5 5 GLN CA C 55.655 0.2 1 29 5 5 GLN CB C 29.657 0.2 1 30 5 5 GLN CG C 33.757 0.2 1 31 5 5 GLN N N 125.422 0.2 1 32 6 6 ALA H H 8.393 0.02 1 33 6 6 ALA HA H 4.266 0.02 1 34 6 6 ALA HB H 1.381 0.02 1 35 6 6 ALA C C 177.375 0.2 1 36 6 6 ALA CA C 52.559 0.2 1 37 6 6 ALA CB C 19.354 0.2 1 38 6 6 ALA N N 127.039 0.2 1 39 7 7 ALA H H 8.279 0.02 1 40 7 7 ALA HA H 4.281 0.02 1 41 7 7 ALA HB H 1.376 0.02 1 42 7 7 ALA C C 177.699 0.2 1 43 7 7 ALA CA C 52.499 0.2 1 44 7 7 ALA CB C 19.387 0.2 1 45 7 7 ALA N N 124.076 0.2 1 46 8 8 GLU H H 8.343 0.02 1 47 8 8 GLU HA H 4.263 0.02 1 48 8 8 GLU HB2 H 1.965 0.02 2 49 8 8 GLU HG2 H 2.231 0.02 2 50 8 8 GLU C C 176.344 0.2 1 51 8 8 GLU CA C 56.469 0.2 1 52 8 8 GLU CB C 30.542 0.2 1 53 8 8 GLU CG C 36.172 0.2 1 54 8 8 GLU N N 121.099 0.2 1 55 9 9 VAL H H 8.197 0.02 1 56 9 9 VAL HA H 4.072 0.02 1 57 9 9 VAL HB H 2.019 0.02 1 58 9 9 VAL HG1 H 0.913 0.02 2 59 9 9 VAL C C 175.879 0.2 1 60 9 9 VAL CA C 62.345 0.2 1 61 9 9 VAL CB C 32.849 0.2 1 62 9 9 VAL CG1 C 20.962 0.2 2 63 9 9 VAL N N 123.319 0.2 1 64 10 10 LYS H H 8.453 0.02 1 65 10 10 LYS HA H 4.398 0.02 1 66 10 10 LYS HB2 H 1.798 0.02 2 67 10 10 LYS HG2 H 1.392 0.02 2 68 10 10 LYS HD2 H 1.691 0.02 2 69 10 10 LYS HE2 H 2.986 0.02 2 70 10 10 LYS C C 176.464 0.2 1 71 10 10 LYS CA C 55.968 0.2 1 72 10 10 LYS CB C 33.203 0.2 1 73 10 10 LYS CG C 24.683 0.2 1 74 10 10 LYS CD C 29.059 0.2 1 75 10 10 LYS CE C 42.233 0.2 1 76 10 10 LYS N N 127.183 0.2 1 77 11 11 VAL H H 8.341 0.02 1 78 11 11 VAL HA H 4.157 0.02 1 79 11 11 VAL HB H 2.081 0.02 1 80 11 11 VAL HG1 H 0.913 0.02 2 81 11 11 VAL C C 175.988 0.2 1 82 11 11 VAL CA C 62.073 0.2 1 83 11 11 VAL CB C 33.05 0.2 1 84 11 11 VAL CG1 C 21.044 0.2 2 85 11 11 VAL CG2 C 20.441 0.2 2 86 11 11 VAL N N 123.053 0.2 1 87 12 12 ASP H H 8.522 0.02 1 88 12 12 ASP HA H 4.611 0.02 1 89 12 12 ASP HB2 H 2.688 0.02 2 90 12 12 ASP C C 176.836 0.2 1 91 12 12 ASP CA C 54.441 0.2 1 92 12 12 ASP CB C 41.412 0.2 1 93 12 12 ASP N N 125.207 0.2 1 94 13 13 GLY H H 8.473 0.02 1 95 13 13 GLY HA2 H 3.995 0.02 2 96 13 13 GLY C C 174.484 0.2 1 97 13 13 GLY CA C 45.588 0.2 1 98 13 13 GLY N N 110.909 0.2 1 99 14 14 SER H H 8.259 0.02 1 100 14 14 SER HA H 4.433 0.02 1 101 14 14 SER HB2 H 3.873 0.02 2 102 14 14 SER C C 174.331 0.2 1 103 14 14 SER CA C 58.593 0.2 1 104 14 14 SER CB C 64.026 0.2 1 105 14 14 SER N N 116.413 0.2 1 106 15 15 GLU H H 8.409 0.02 1 107 15 15 GLU C C 174.618 0.2 1 108 15 15 GLU CA C 54.772 0.2 1 109 15 15 GLU CB C 29.72 0.2 1 110 15 15 GLU N N 124.467 0.2 1 111 16 16 PRO HA H 4.397 0.02 1 112 16 16 PRO HB2 H 2.294 0.02 2 113 16 16 PRO HG2 H 2.023 0.02 2 114 16 16 PRO HG3 H 1.878 0.02 2 115 16 16 PRO HD2 H 3.831 0.02 2 116 16 16 PRO HD3 H 3.701 0.02 2 117 16 16 PRO C C 176.984 0.2 1 118 16 16 PRO CA C 63.381 0.2 1 119 16 16 PRO CB C 32.158 0.2 1 120 16 16 PRO CG C 27.591 0.2 1 121 16 16 PRO CD C 50.926 0.2 1 122 17 17 LYS H H 8.463 0.02 1 123 17 17 LYS HA H 4.29 0.02 1 124 17 17 LYS HB2 H 1.805 0.02 2 125 17 17 LYS HG2 H 1.494 0.02 2 126 17 17 LYS HD2 H 1.7 0.02 2 127 17 17 LYS HE2 H 3.001 0.02 2 128 17 17 LYS C C 176.685 0.2 1 129 17 17 LYS CA C 56.285 0.2 1 130 17 17 LYS CB C 32.804 0.2 1 131 17 17 LYS CG C 24.753 0.2 1 132 17 17 LYS CD C 29.095 0.2 1 133 17 17 LYS CE C 42.211 0.2 1 134 17 17 LYS N N 122.288 0.2 1 135 18 18 LEU H H 8.185 0.02 1 136 18 18 LEU HA H 4.423 0.02 1 137 18 18 LEU HB2 H 1.634 0.02 2 138 18 18 LEU HG H 1.549 0.02 1 139 18 18 LEU HD1 H 0.879 0.02 2 140 18 18 LEU C C 177.325 0.2 1 141 18 18 LEU CA C 54.931 0.2 1 142 18 18 LEU CB C 42.835 0.2 1 143 18 18 LEU CG C 27.119 0.2 1 144 18 18 LEU CD1 C 24.948 0.2 2 145 18 18 LEU CD2 C 23.636 0.2 2 146 18 18 LEU N N 123.891 0.2 1 147 19 19 SER H H 8.461 0.02 1 148 19 19 SER HA H 4.43 0.02 1 149 19 19 SER HB2 H 4.067 0.02 2 150 19 19 SER HB3 H 3.926 0.02 2 151 19 19 SER C C 174.955 0.2 1 152 19 19 SER CA C 58.135 0.2 1 153 19 19 SER CB C 64.23 0.2 1 154 19 19 SER N N 118.163 0.2 1 155 20 20 LYS H H 8.576 0.02 1 156 20 20 LYS HA H 4.187 0.02 1 157 20 20 LYS HB2 H 1.842 0.02 2 158 20 20 LYS HB3 H 1.694 0.02 2 159 20 20 LYS HG2 H 1.471 0.02 2 160 20 20 LYS HD2 H 1.766 0.02 2 161 20 20 LYS HE2 H 2.997 0.02 2 162 20 20 LYS C C 177.721 0.2 1 163 20 20 LYS CA C 58.093 0.2 1 164 20 20 LYS CB C 32.578 0.2 1 165 20 20 LYS CG C 24.849 0.2 1 166 20 20 LYS CD C 29.156 0.2 1 167 20 20 LYS CE C 42.57 0.2 1 168 20 20 LYS N N 123.282 0.2 1 169 21 21 ASN H H 8.464 0.02 1 170 21 21 ASN HA H 4.592 0.02 1 171 21 21 ASN HB2 H 2.785 0.02 2 172 21 21 ASN HD21 H 7.674 0.02 1 173 21 21 ASN HD22 H 6.99 0.02 1 174 21 21 ASN C C 176.4 0.2 1 175 21 21 ASN CA C 54.593 0.2 1 176 21 21 ASN CB C 38.53 0.2 1 177 21 21 ASN N N 118.889 0.2 1 178 21 21 ASN ND2 N 113.626 0.2 1 179 22 22 GLU H H 8.178 0.02 1 180 22 22 GLU HA H 4.228 0.02 1 181 22 22 GLU HB2 H 2.049 0.02 2 182 22 22 GLU HG2 H 2.272 0.02 2 183 22 22 GLU C C 177.591 0.2 1 184 22 22 GLU CA C 57.7 0.2 1 185 22 22 GLU CB C 30.037 0.2 1 186 22 22 GLU CG C 36.172 0.2 1 187 22 22 GLU N N 122.421 0.2 1 188 23 23 LEU H H 8.229 0.02 1 189 23 23 LEU HA H 4.153 0.02 1 190 23 23 LEU HB2 H 1.72 0.02 2 191 23 23 LEU HG H 1.641 0.02 1 192 23 23 LEU HD1 H 0.904 0.02 2 193 23 23 LEU C C 178.359 0.2 1 194 23 23 LEU CA C 56.856 0.2 1 195 23 23 LEU CB C 42.002 0.2 1 196 23 23 LEU CG C 27.155 0.2 1 197 23 23 LEU CD1 C 24.526 0.2 2 198 23 23 LEU CD2 C 23.876 0.2 2 199 23 23 LEU N N 122.699 0.2 1 200 24 24 LYS H H 8.018 0.02 1 201 24 24 LYS HA H 4.154 0.02 1 202 24 24 LYS HB2 H 1.848 0.02 2 203 24 24 LYS HG2 H 1.517 0.02 2 204 24 24 LYS HG3 H 1.435 0.02 2 205 24 24 LYS HD2 H 1.69 0.02 2 206 24 24 LYS HE2 H 2.986 0.02 2 207 24 24 LYS C C 177.709 0.2 1 208 24 24 LYS CA C 57.832 0.2 1 209 24 24 LYS CB C 32.666 0.2 1 210 24 24 LYS CG C 25.06 0.2 1 211 24 24 LYS CD C 29.203 0.2 1 212 24 24 LYS CE C 42.161 0.2 1 213 24 24 LYS N N 120.507 0.2 1 214 25 25 ARG H H 7.99 0.02 1 215 25 25 ARG HA H 4.167 0.02 1 216 25 25 ARG HB2 H 1.861 0.02 2 217 25 25 ARG HG2 H 1.673 0.02 2 218 25 25 ARG HD2 H 3.202 0.02 2 219 25 25 ARG HE H 7.401 0.02 1 220 25 25 ARG C C 177.405 0.2 1 221 25 25 ARG CA C 57.641 0.2 1 222 25 25 ARG CB C 30.685 0.2 1 223 25 25 ARG CG C 27.358 0.2 1 224 25 25 ARG CD C 43.494 0.2 1 225 25 25 ARG N N 121.247 0.2 1 226 25 25 ARG NE N 85.032 0.2 1 227 26 26 ARG H H 8.204 0.02 1 228 26 26 ARG HA H 4.232 0.02 1 229 26 26 ARG HB2 H 1.856 0.02 2 230 26 26 ARG HG2 H 1.644 0.02 2 231 26 26 ARG HD2 H 3.176 0.02 2 232 26 26 ARG HE H 7.463 0.02 1 233 26 26 ARG C C 177.091 0.2 1 234 26 26 ARG CA C 57.269 0.2 1 235 26 26 ARG CB C 30.623 0.2 1 236 26 26 ARG CG C 27.333 0.2 1 237 26 26 ARG CD C 43.656 0.2 1 238 26 26 ARG N N 121.923 0.2 1 239 26 26 ARG NE N 85.405 0.2 1 240 27 27 LEU H H 8.166 0.02 1 241 27 27 LEU HA H 4.268 0.02 1 242 27 27 LEU HB2 H 1.698 0.02 2 243 27 27 LEU HG H 1.59 0.02 1 244 27 27 LEU HD1 H 0.902 0.02 2 245 27 27 LEU C C 178.069 0.2 1 246 27 27 LEU CA C 56.031 0.2 1 247 27 27 LEU CB C 42.322 0.2 1 248 27 27 LEU CG C 27.111 0.2 1 249 27 27 LEU CD1 C 24.757 0.2 2 250 27 27 LEU CD2 C 23.635 0.2 2 251 27 27 LEU N N 122.91 0.2 1 252 28 28 LYS H H 8.103 0.02 1 253 28 28 LYS HA H 4.221 0.02 1 254 28 28 LYS HB2 H 1.833 0.02 2 255 28 28 LYS HG2 H 1.452 0.02 2 256 28 28 LYS HD2 H 1.691 0.02 2 257 28 28 LYS HE2 H 2.991 0.02 2 258 28 28 LYS C C 176.818 0.2 1 259 28 28 LYS CA C 57.079 0.2 1 260 28 28 LYS CB C 32.938 0.2 1 261 28 28 LYS CG C 24.816 0.2 1 262 28 28 LYS CD C 29.182 0.2 1 263 28 28 LYS CE C 42.231 0.2 1 264 28 28 LYS N N 121.836 0.2 1 265 29 29 ALA H H 8.138 0.02 1 266 29 29 ALA HA H 4.275 0.02 1 267 29 29 ALA HB H 1.415 0.02 1 268 29 29 ALA C C 178.169 0.2 1 269 29 29 ALA CA C 52.973 0.2 1 270 29 29 ALA CB C 19.153 0.2 1 271 29 29 ALA N N 125.094 0.2 1 272 30 30 GLU H H 8.303 0.02 1 273 30 30 GLU HA H 4.239 0.02 1 274 30 30 GLU HB2 H 2.005 0.02 2 275 30 30 GLU HG2 H 2.365 0.02 2 276 30 30 GLU C C 176.971 0.2 1 277 30 30 GLU CA C 56.906 0.2 1 278 30 30 GLU CB C 30.496 0.2 1 279 30 30 GLU CG C 36.401 0.2 1 280 30 30 GLU N N 120.993 0.2 1 281 31 31 LYS H H 8.279 0.02 1 282 31 31 LYS HA H 4.247 0.02 1 283 31 31 LYS HB2 H 1.82 0.02 2 284 31 31 LYS HG2 H 1.49 0.02 2 285 31 31 LYS HD2 H 1.689 0.02 2 286 31 31 LYS HE2 H 2.992 0.02 2 287 31 31 LYS C C 176.782 0.2 1 288 31 31 LYS CA C 56.822 0.2 1 289 31 31 LYS CB C 32.946 0.2 1 290 31 31 LYS CG C 24.755 0.2 1 291 31 31 LYS CD C 29.154 0.2 1 292 31 31 LYS CE C 42.216 0.2 1 293 31 31 LYS N N 123.297 0.2 1 294 32 32 LYS H H 8.298 0.02 1 295 32 32 LYS HA H 4.313 0.02 1 296 32 32 LYS HB2 H 1.805 0.02 2 297 32 32 LYS HG2 H 1.437 0.02 2 298 32 32 LYS HD2 H 1.691 0.02 2 299 32 32 LYS HE2 H 2.99 0.02 2 300 32 32 LYS C C 177.108 0.2 1 301 32 32 LYS CA C 56.767 0.2 1 302 32 32 LYS CB C 32.964 0.2 1 303 32 32 LYS CG C 24.756 0.2 1 304 32 32 LYS CD C 29.073 0.2 1 305 32 32 LYS CE C 42.267 0.2 1 306 32 32 LYS N N 123.4 0.2 1 307 33 33 VAL H H 8.122 0.02 1 308 33 33 VAL HA H 4.019 0.02 1 309 33 33 VAL HB H 2.077 0.02 1 310 33 33 VAL HG1 H 0.961 0.02 2 311 33 33 VAL C C 176.264 0.2 1 312 33 33 VAL CA C 62.995 0.2 1 313 33 33 VAL CB C 32.81 0.2 1 314 33 33 VAL CG1 C 21.124 0.2 2 315 33 33 VAL N N 122.553 0.2 1 316 34 34 ALA H H 8.352 0.02 1 317 34 34 ALA HA H 4.28 0.02 1 318 34 34 ALA HB H 1.418 0.02 1 319 34 34 ALA C C 178.384 0.2 1 320 34 34 ALA CA C 53.027 0.2 1 321 34 34 ALA CB C 19.119 0.2 1 322 34 34 ALA N N 127.72 0.2 1 323 35 35 GLU H H 8.393 0.02 1 324 35 35 GLU HA H 4.201 0.02 1 325 35 35 GLU HB2 H 2.021 0.02 2 326 35 35 GLU HG2 H 2.318 0.02 2 327 35 35 GLU C C 177.249 0.2 1 328 35 35 GLU CA C 57.411 0.2 1 329 35 35 GLU CB C 30.284 0.2 1 330 35 35 GLU CG C 36.455 0.2 1 331 35 35 GLU N N 121.224 0.2 1 332 36 36 LYS H H 8.269 0.02 1 333 36 36 LYS HA H 4.216 0.02 1 334 36 36 LYS HB2 H 1.842 0.02 2 335 36 36 LYS HG2 H 1.447 0.02 2 336 36 36 LYS HD2 H 1.69 0.02 2 337 36 36 LYS HE2 H 2.995 0.02 2 338 36 36 LYS C C 177.31 0.2 1 339 36 36 LYS CA C 57.423 0.2 1 340 36 36 LYS CB C 32.939 0.2 1 341 36 36 LYS CG C 24.782 0.2 1 342 36 36 LYS CD C 29.167 0.2 1 343 36 36 LYS CE C 42.245 0.2 1 344 36 36 LYS N N 122.229 0.2 1 345 37 37 GLU H H 8.329 0.02 1 346 37 37 GLU HA H 4.203 0.02 1 347 37 37 GLU HB2 H 2.008 0.02 2 348 37 37 GLU HG2 H 2.272 0.02 2 349 37 37 GLU C C 176.99 0.2 1 350 37 37 GLU CA C 57.27 0.2 1 351 37 37 GLU CB C 30.274 0.2 1 352 37 37 GLU CG C 36.489 0.2 1 353 37 37 GLU N N 121.981 0.2 1 354 38 38 ALA H H 8.27 0.02 1 355 38 38 ALA HA H 4.235 0.02 1 356 38 38 ALA HB H 1.428 0.02 1 357 38 38 ALA C C 178.553 0.2 1 358 38 38 ALA CA C 53.344 0.2 1 359 38 38 ALA CB C 19.014 0.2 1 360 38 38 ALA N N 125.492 0.2 1 361 39 39 LYS H H 8.209 0.02 1 362 39 39 LYS HA H 4.251 0.02 1 363 39 39 LYS HB2 H 1.837 0.02 2 364 39 39 LYS HB3 H 1.69 0.02 2 365 39 39 LYS HG2 H 1.474 0.02 2 366 39 39 LYS HD2 H 1.763 0.02 2 367 39 39 LYS HE2 H 2.989 0.02 2 368 39 39 LYS C C 177.328 0.2 1 369 39 39 LYS CA C 56.904 0.2 1 370 39 39 LYS CB C 32.757 0.2 1 371 39 39 LYS CG C 24.721 0.2 1 372 39 39 LYS CD C 28.957 0.2 1 373 39 39 LYS N N 120.773 0.2 1 374 40 40 GLN H H 8.268 0.02 1 375 40 40 GLN HA H 4.235 0.02 1 376 40 40 GLN HB2 H 2.109 0.02 2 377 40 40 GLN HG2 H 2.416 0.02 2 378 40 40 GLN C C 176.844 0.2 1 379 40 40 GLN CA C 56.765 0.2 1 380 40 40 GLN CB C 29.146 0.2 1 381 40 40 GLN CG C 33.894 0.2 1 382 40 40 GLN N N 121.498 0.2 1 383 41 41 LYS H H 8.28 0.02 1 384 41 41 LYS C C 177.136 0.2 1 385 41 41 LYS CA C 57.436 0.2 1 386 41 41 LYS CB C 33.036 0.2 1 387 41 41 LYS N N 123.001 0.2 1 388 42 42 GLU H H 8.329 0.02 1 389 42 42 GLU HA H 4.224 0.02 1 390 42 42 GLU HB2 H 2.05 0.02 2 391 42 42 GLU HG2 H 2.284 0.02 2 392 42 42 GLU C C 177.207 0.2 1 393 42 42 GLU CA C 57.275 0.2 1 394 42 42 GLU CB C 30.142 0.2 1 395 42 42 GLU CG C 36.297 0.2 1 396 42 42 GLU N N 122.022 0.2 1 397 43 43 LEU H H 8.214 0.02 1 398 43 43 LEU HA H 4.323 0.02 1 399 43 43 LEU HB2 H 1.682 0.02 2 400 43 43 LEU HG H 1.576 0.02 1 401 43 43 LEU HD1 H 0.901 0.02 2 402 43 43 LEU C C 178.03 0.2 1 403 43 43 LEU CA C 55.917 0.2 1 404 43 43 LEU CB C 42.313 0.2 1 405 43 43 LEU CG C 27.132 0.2 1 406 43 43 LEU CD1 C 24.729 0.2 2 407 43 43 LEU CD2 C 23.717 0.2 2 408 43 43 LEU N N 122.904 0.2 1 409 44 44 SER H H 8.285 0.02 1 410 44 44 SER HA H 4.404 0.02 1 411 44 44 SER HB2 H 3.941 0.02 2 412 44 44 SER C C 175.239 0.2 1 413 44 44 SER CA C 59.079 0.2 1 414 44 44 SER CB C 63.811 0.2 1 415 44 44 SER N N 116.803 0.2 1 416 45 45 GLU H H 8.381 0.02 1 417 45 45 GLU HA H 4.228 0.02 1 418 45 45 GLU HB2 H 2.05 0.02 2 419 45 45 GLU HG2 H 2.283 0.02 2 420 45 45 GLU C C 177.416 0.2 1 421 45 45 GLU CA C 57.648 0.2 1 422 45 45 GLU CB C 30.039 0.2 1 423 45 45 GLU CG C 36.426 0.2 1 424 45 45 GLU N N 123.012 0.2 1 425 46 46 LYS H H 8.184 0.02 1 426 46 46 LYS HA H 4.245 0.02 1 427 46 46 LYS HB2 H 1.833 0.02 2 428 46 46 LYS HG2 H 1.475 0.02 2 429 46 46 LYS HD2 H 1.683 0.02 2 430 46 46 LYS HE2 H 2.989 0.02 2 431 46 46 LYS C C 177.301 0.2 1 432 46 46 LYS CA C 57.274 0.2 1 433 46 46 LYS CB C 32.807 0.2 1 434 46 46 LYS CG C 24.863 0.2 1 435 46 46 LYS CD C 29.103 0.2 1 436 46 46 LYS CE C 42.214 0.2 1 437 46 46 LYS N N 121.851 0.2 1 438 47 47 GLN H H 8.221 0.02 1 439 47 47 GLN HA H 4.272 0.02 1 440 47 47 GLN HB2 H 2.083 0.02 2 441 47 47 GLN HG2 H 2.394 0.02 2 442 47 47 GLN C C 176.809 0.2 1 443 47 47 GLN CA C 56.607 0.2 1 444 47 47 GLN CB C 29.299 0.2 1 445 47 47 GLN CG C 34.042 0.2 1 446 47 47 GLN N N 121.135 0.2 1 447 48 48 LEU H H 8.257 0.02 1 448 48 48 LEU HA H 4.325 0.02 1 449 48 48 LEU HB2 H 1.657 0.02 2 450 48 48 LEU HD1 H 0.902 0.02 2 451 48 48 LEU C C 178.022 0.2 1 452 48 48 LEU CA C 55.911 0.2 1 453 48 48 LEU CB C 42.334 0.2 1 454 48 48 LEU CG C 27.104 0.2 1 455 48 48 LEU CD1 C 24.716 0.2 2 456 48 48 LEU CD2 C 23.798 0.2 2 457 48 48 LEU N N 123.482 0.2 1 458 49 49 SER H H 8.237 0.02 1 459 49 49 SER HA H 4.411 0.02 1 460 49 49 SER HB2 H 3.916 0.02 2 461 49 49 SER C C 175.043 0.2 1 462 49 49 SER CA C 58.906 0.2 1 463 49 49 SER CB C 63.669 0.2 1 464 49 49 SER N N 116.682 0.2 1 465 50 50 GLN H H 8.29 0.02 1 466 50 50 GLN HA H 4.328 0.02 1 467 50 50 GLN HB2 H 2.155 0.02 2 468 50 50 GLN HG2 H 2.402 0.02 2 469 50 50 GLN C C 176.203 0.2 1 470 50 50 GLN CA C 56.304 0.2 1 471 50 50 GLN CB C 29.435 0.2 1 472 50 50 GLN CG C 33.909 0.2 1 473 50 50 GLN N N 122.595 0.2 1 474 51 51 ALA H H 8.256 0.02 1 475 51 51 ALA HA H 4.337 0.02 1 476 51 51 ALA HB H 1.427 0.02 1 477 51 51 ALA C C 178.401 0.2 1 478 51 51 ALA CA C 53.142 0.2 1 479 51 51 ALA CB C 19.139 0.2 1 480 51 51 ALA N N 125.278 0.2 1 481 52 52 THR H H 8.066 0.02 1 482 52 52 THR HA H 4.297 0.02 1 483 52 52 THR HG2 H 1.222 0.02 1 484 52 52 THR C C 174.744 0.2 1 485 52 52 THR CA C 62.277 0.2 1 486 52 52 THR CB C 69.812 0.2 1 487 52 52 THR CG2 C 21.724 0.2 1 488 52 52 THR N N 113.959 0.2 1 489 53 53 ALA H H 8.221 0.02 1 490 53 53 ALA C C 177.714 0.2 1 491 53 53 ALA CA C 52.889 0.2 1 492 53 53 ALA CB C 19.234 0.2 1 493 53 53 ALA N N 127.023 0.2 1 494 54 54 ALA HA H 4.286 0.02 1 495 54 54 ALA HB H 1.395 0.02 1 496 54 54 ALA C C 177.785 0.2 1 497 54 54 ALA CA C 52.832 0.2 1 498 54 54 ALA CB C 19.136 0.2 1 499 55 55 ALA H H 8.181 0.02 1 500 55 55 ALA HA H 4.338 0.02 1 501 55 55 ALA HB H 1.421 0.02 1 502 55 55 ALA C C 178.147 0.2 1 503 55 55 ALA CA C 52.743 0.2 1 504 55 55 ALA CB C 19.264 0.2 1 505 55 55 ALA N N 123.574 0.2 1 506 56 56 THR H H 8.046 0.02 1 507 56 56 THR HA H 4.319 0.02 1 508 56 56 THR HB H 4.193 0.02 1 509 56 56 THR HG2 H 1.165 0.02 1 510 56 56 THR C C 174.314 0.2 1 511 56 56 THR CA C 61.885 0.2 1 512 56 56 THR CB C 69.84 0.2 1 513 56 56 THR CG2 C 21.632 0.2 1 514 56 56 THR N N 113.261 0.2 1 515 57 57 ASN H H 8.336 0.02 1 516 57 57 ASN HA H 4.693 0.02 1 517 57 57 ASN HB2 H 2.782 0.02 2 518 57 57 ASN HD21 H 7.592 0.02 1 519 57 57 ASN HD22 H 6.907 0.02 1 520 57 57 ASN C C 174.908 0.2 1 521 57 57 ASN CA C 53.232 0.2 1 522 57 57 ASN CB C 38.932 0.2 1 523 57 57 ASN N N 121.347 0.2 1 524 57 57 ASN ND2 N 113.512 0.2 1 525 58 58 HIS H H 8.474 0.02 1 526 58 58 HIS HB2 H 3.3 0.02 2 527 58 58 HIS HB3 H 3.154 0.02 2 528 58 58 HIS C C 174.82 0.2 1 529 58 58 HIS CA C 55.632 0.2 1 530 58 58 HIS CB C 29.459 0.2 1 531 58 58 HIS N N 120.154 0.2 1 532 59 59 THR H H 8.313 0.02 1 533 59 59 THR HA H 4.418 0.02 1 534 59 59 THR HB H 4.282 0.02 1 535 59 59 THR HG2 H 1.198 0.02 1 536 59 59 THR C C 174.73 0.2 1 537 59 59 THR CA C 62.132 0.2 1 538 59 59 THR CB C 69.894 0.2 1 539 59 59 THR CG2 C 21.747 0.2 1 540 59 59 THR N N 116.367 0.2 1 541 60 60 THR H H 8.182 0.02 1 542 60 60 THR HA H 4.414 0.02 1 543 60 60 THR HG2 H 1.178 0.02 1 544 60 60 THR C C 174.171 0.2 1 545 60 60 THR CA C 61.675 0.2 1 546 60 60 THR CB C 69.889 0.2 1 547 60 60 THR CG2 C 21.688 0.2 1 548 60 60 THR N N 115.594 0.2 1 549 61 61 ASP H H 8.341 0.02 1 550 61 61 ASP HA H 4.617 0.02 1 551 61 61 ASP HB2 H 2.746 0.02 2 552 61 61 ASP HB3 H 2.645 0.02 2 553 61 61 ASP C C 176.059 0.2 1 554 61 61 ASP CA C 54.471 0.2 1 555 61 61 ASP CB C 41.241 0.2 1 556 61 61 ASP N N 123.397 0.2 1 557 62 62 ASN H H 8.435 0.02 1 558 62 62 ASN HA H 4.683 0.02 1 559 62 62 ASN HB2 H 2.821 0.02 1 560 62 62 ASN HD21 H 7.569 0.02 1 561 62 62 ASN HD22 H 6.885 0.02 1 562 62 62 ASN C C 175.865 0.2 1 563 62 62 ASN CA C 53.51 0.2 1 564 62 62 ASN CB C 38.937 0.2 1 565 62 62 ASN N N 120.126 0.2 1 566 62 62 ASN ND2 N 113.151 0.2 1 567 63 63 GLY H H 8.442 0.02 1 568 63 63 GLY HA2 H 3.936 0.02 2 569 63 63 GLY C C 173.979 0.2 1 570 63 63 GLY CA C 45.588 0.2 1 571 63 63 GLY N N 109.714 0.2 1 572 64 64 VAL H H 7.856 0.02 1 573 64 64 VAL HA H 4.088 0.02 1 574 64 64 VAL HB H 2.045 0.02 1 575 64 64 VAL HG1 H 0.893 0.02 2 576 64 64 VAL C C 176.095 0.2 1 577 64 64 VAL CA C 62.199 0.2 1 578 64 64 VAL CB C 32.791 0.2 1 579 64 64 VAL CG1 C 20.909 0.2 2 580 64 64 VAL N N 120.058 0.2 1 581 65 65 LEU H H 8.367 0.02 1 582 65 65 LEU C C 175.333 0.2 1 583 65 65 LEU CA C 53.007 0.2 1 584 65 65 LEU CB C 41.839 0.2 1 585 65 65 LEU N N 128.486 0.2 1 586 66 66 PRO HA H 4.406 0.02 1 587 66 66 PRO HB2 H 2.272 0.02 2 588 66 66 PRO HG2 H 2.002 0.02 2 589 66 66 PRO HG3 H 1.911 0.02 2 590 66 66 PRO HD2 H 3.859 0.02 2 591 66 66 PRO HD3 H 3.655 0.02 2 592 66 66 PRO C C 177.073 0.2 1 593 66 66 PRO CA C 63.145 0.2 1 594 66 66 PRO CB C 32.167 0.2 1 595 66 66 PRO CG C 27.536 0.2 1 596 66 66 PRO CD C 50.75 0.2 1 597 67 67 GLU H H 8.57 0.02 1 598 67 67 GLU HA H 4.329 0.02 1 599 67 67 GLU HB2 H 2.012 0.02 2 600 67 67 GLU HG2 H 2.269 0.02 2 601 67 67 GLU C C 177.024 0.2 1 602 67 67 GLU CA C 56.738 0.2 1 603 67 67 GLU CB C 30.223 0.2 1 604 67 67 GLU CG C 36.309 0.2 1 605 67 67 GLU N N 121.705 0.2 1 606 68 68 THR H H 8.212 0.02 1 607 68 68 THR HA H 4.345 0.02 1 608 68 68 THR HB H 4.278 0.02 1 609 68 68 THR HG2 H 1.197 0.02 1 610 68 68 THR C C 175.439 0.2 1 611 68 68 THR CA C 62.011 0.2 1 612 68 68 THR CB C 69.916 0.2 1 613 68 68 THR CG2 C 21.67 0.2 1 614 68 68 THR N N 115.338 0.2 1 615 69 69 GLY H H 8.508 0.02 1 616 69 69 GLY HA2 H 3.979 0.02 2 617 69 69 GLY C C 174.761 0.2 1 618 69 69 GLY CA C 45.562 0.2 1 619 69 69 GLY N N 111.843 0.2 1 620 70 70 GLY H H 8.279 0.02 1 621 70 70 GLY HA2 H 3.869 0.02 2 622 70 70 GLY C C 174.012 0.2 1 623 70 70 GLY CA C 45.255 0.2 1 624 70 70 GLY N N 108.938 0.2 1 625 71 71 HIS H H 8.272 0.02 1 626 71 71 HIS C C 174.733 0.2 1 627 71 71 HIS CA C 55.654 0.2 1 628 71 71 HIS CB C 29.68 0.2 1 629 71 71 HIS N N 118.84 0.2 1 630 75 75 HIS HA H 4.601 0.02 1 631 75 75 HIS HB2 H 3.165 0.02 2 632 75 75 HIS C C 173.831 0.2 1 633 75 75 HIS CA C 55.841 0.2 1 634 75 75 HIS CB C 29.819 0.2 1 635 76 76 HIS H H 8.26 0.02 1 636 76 76 HIS C C 179.027 0.2 1 637 76 76 HIS CA C 57.24 0.2 1 638 76 76 HIS CB C 30.051 0.2 1 639 76 76 HIS N N 126.029 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 HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HN(CA)CO' 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 4.346 0.02 1 2 2 2 ALA HB H 1.392 0.02 1 3 2 2 ALA C C 176.973 0.2 1 4 2 2 ALA CA C 52.442 0.2 1 5 2 2 ALA CB C 19.328 0.2 1 6 3 3 ALA H H 8.417 0.02 1 7 3 3 ALA HA H 4.309 0.02 1 8 3 3 ALA HB H 1.374 0.02 1 9 3 3 ALA C C 177.74 0.2 1 10 3 3 ALA CA C 52.444 0.2 1 11 3 3 ALA CB C 19.309 0.2 1 12 3 3 ALA N N 125.06 0.2 1 13 4 4 VAL H H 8.155 0.02 1 14 4 4 VAL HA H 4.078 0.02 1 15 4 4 VAL HB H 2.028 0.02 1 16 4 4 VAL HG1 H 0.929 0.02 2 17 4 4 VAL C C 176.193 0.2 1 18 4 4 VAL CA C 62.292 0.2 1 19 4 4 VAL CB C 33.013 0.2 1 20 4 4 VAL CG1 C 20.859 0.2 2 21 4 4 VAL N N 120.563 0.2 1 22 5 5 GLN H H 8.462 0.02 1 23 5 5 GLN HA H 4.329 0.02 1 24 5 5 GLN HB2 H 2.085 0.02 2 25 5 5 GLN HB3 H 1.97 0.02 2 26 5 5 GLN HG2 H 2.364 0.02 2 27 5 5 GLN C C 175.559 0.2 1 28 5 5 GLN CA C 55.655 0.2 1 29 5 5 GLN CB C 29.657 0.2 1 30 5 5 GLN CG C 33.757 0.2 1 31 5 5 GLN N N 125.422 0.2 1 32 6 6 ALA H H 8.393 0.02 1 33 6 6 ALA HA H 4.266 0.02 1 34 6 6 ALA HB H 1.381 0.02 1 35 6 6 ALA C C 177.375 0.2 1 36 6 6 ALA CA C 52.559 0.2 1 37 6 6 ALA CB C 19.354 0.2 1 38 6 6 ALA N N 127.039 0.2 1 39 7 7 ALA H H 8.279 0.02 1 40 7 7 ALA HA H 4.281 0.02 1 41 7 7 ALA HB H 1.376 0.02 1 42 7 7 ALA C C 177.699 0.2 1 43 7 7 ALA CA C 52.499 0.2 1 44 7 7 ALA CB C 19.387 0.2 1 45 7 7 ALA N N 124.076 0.2 1 46 8 8 GLU H H 8.343 0.02 1 47 8 8 GLU HA H 4.263 0.02 1 48 8 8 GLU HB2 H 1.965 0.02 2 49 8 8 GLU HG2 H 2.231 0.02 2 50 8 8 GLU C C 176.344 0.2 1 51 8 8 GLU CA C 56.469 0.2 1 52 8 8 GLU CB C 30.542 0.2 1 53 8 8 GLU CG C 36.172 0.2 1 54 8 8 GLU N N 121.099 0.2 1 55 9 9 VAL H H 8.197 0.02 1 56 9 9 VAL HA H 4.072 0.02 1 57 9 9 VAL HB H 2.019 0.02 1 58 9 9 VAL HG1 H 0.913 0.02 2 59 9 9 VAL C C 175.879 0.2 1 60 9 9 VAL CA C 62.345 0.2 1 61 9 9 VAL CB C 32.849 0.2 1 62 9 9 VAL CG1 C 20.962 0.2 2 63 9 9 VAL N N 123.319 0.2 1 64 10 10 LYS H H 8.453 0.02 1 65 10 10 LYS HA H 4.398 0.02 1 66 10 10 LYS HB2 H 1.798 0.02 2 67 10 10 LYS HG2 H 1.392 0.02 2 68 10 10 LYS HD2 H 1.691 0.02 2 69 10 10 LYS HE2 H 2.986 0.02 2 70 10 10 LYS C C 176.464 0.2 1 71 10 10 LYS CA C 55.968 0.2 1 72 10 10 LYS CB C 33.203 0.2 1 73 10 10 LYS CG C 24.683 0.2 1 74 10 10 LYS CD C 29.059 0.2 1 75 10 10 LYS CE C 42.233 0.2 1 76 10 10 LYS N N 127.183 0.2 1 77 11 11 VAL H H 8.341 0.02 1 78 11 11 VAL HA H 4.157 0.02 1 79 11 11 VAL HB H 2.081 0.02 1 80 11 11 VAL HG1 H 0.913 0.02 2 81 11 11 VAL C C 175.988 0.2 1 82 11 11 VAL CA C 62.073 0.2 1 83 11 11 VAL CB C 33.05 0.2 1 84 11 11 VAL CG1 C 21.044 0.2 2 85 11 11 VAL CG2 C 20.441 0.2 2 86 11 11 VAL N N 123.053 0.2 1 87 12 12 ASP H H 8.522 0.02 1 88 12 12 ASP HA H 4.611 0.02 1 89 12 12 ASP HB2 H 2.688 0.02 2 90 12 12 ASP C C 176.836 0.2 1 91 12 12 ASP CA C 54.441 0.2 1 92 12 12 ASP CB C 41.412 0.2 1 93 12 12 ASP N N 125.207 0.2 1 94 13 13 GLY H H 8.473 0.02 1 95 13 13 GLY HA2 H 3.995 0.02 2 96 13 13 GLY C C 174.484 0.2 1 97 13 13 GLY CA C 45.588 0.2 1 98 13 13 GLY N N 110.909 0.2 1 99 14 14 SER H H 8.259 0.02 1 100 14 14 SER HA H 4.433 0.02 1 101 14 14 SER HB2 H 3.873 0.02 2 102 14 14 SER C C 174.331 0.2 1 103 14 14 SER CA C 58.593 0.2 1 104 14 14 SER CB C 64.026 0.2 1 105 14 14 SER N N 116.413 0.2 1 106 15 15 GLU H H 8.409 0.02 1 107 15 15 GLU C C 174.618 0.2 1 108 15 15 GLU CA C 54.772 0.2 1 109 15 15 GLU CB C 29.72 0.2 1 110 15 15 GLU N N 124.467 0.2 1 111 16 16 PRO HA H 4.397 0.02 1 112 16 16 PRO HB2 H 2.294 0.02 2 113 16 16 PRO HG2 H 2.023 0.02 2 114 16 16 PRO HG3 H 1.878 0.02 2 115 16 16 PRO HD2 H 3.831 0.02 2 116 16 16 PRO HD3 H 3.701 0.02 2 117 16 16 PRO C C 176.984 0.2 1 118 16 16 PRO CA C 63.381 0.2 1 119 16 16 PRO CB C 32.158 0.2 1 120 16 16 PRO CG C 27.591 0.2 1 121 16 16 PRO CD C 50.926 0.2 1 122 17 17 LYS H H 8.463 0.02 1 123 17 17 LYS HA H 4.29 0.02 1 124 17 17 LYS HB2 H 1.805 0.02 2 125 17 17 LYS HG2 H 1.494 0.02 2 126 17 17 LYS HD2 H 1.7 0.02 2 127 17 17 LYS HE2 H 3.001 0.02 2 128 17 17 LYS C C 176.685 0.2 1 129 17 17 LYS CA C 56.285 0.2 1 130 17 17 LYS CB C 32.804 0.2 1 131 17 17 LYS CG C 24.753 0.2 1 132 17 17 LYS CD C 29.095 0.2 1 133 17 17 LYS CE C 42.211 0.2 1 134 17 17 LYS N N 122.288 0.2 1 135 18 18 LEU H H 8.185 0.02 1 136 18 18 LEU HA H 4.423 0.02 1 137 18 18 LEU HB2 H 1.634 0.02 2 138 18 18 LEU HG H 1.549 0.02 1 139 18 18 LEU HD1 H 0.879 0.02 2 140 18 18 LEU C C 177.325 0.2 1 141 18 18 LEU CA C 54.931 0.2 1 142 18 18 LEU CB C 42.835 0.2 1 143 18 18 LEU CG C 27.119 0.2 1 144 18 18 LEU CD1 C 24.948 0.2 2 145 18 18 LEU CD2 C 23.636 0.2 2 146 18 18 LEU N N 123.891 0.2 1 147 19 19 SER H H 8.461 0.02 1 148 19 19 SER HA H 4.43 0.02 1 149 19 19 SER HB2 H 4.067 0.02 2 150 19 19 SER HB3 H 3.926 0.02 2 151 19 19 SER C C 174.955 0.2 1 152 19 19 SER CA C 58.135 0.2 1 153 19 19 SER CB C 64.23 0.2 1 154 19 19 SER N N 118.163 0.2 1 155 20 20 LYS H H 8.576 0.02 1 156 20 20 LYS HA H 4.187 0.02 1 157 20 20 LYS HB2 H 1.842 0.02 2 158 20 20 LYS HB3 H 1.694 0.02 2 159 20 20 LYS HG2 H 1.471 0.02 2 160 20 20 LYS HD2 H 1.766 0.02 2 161 20 20 LYS HE2 H 2.997 0.02 2 162 20 20 LYS C C 177.721 0.2 1 163 20 20 LYS CA C 58.093 0.2 1 164 20 20 LYS CB C 32.578 0.2 1 165 20 20 LYS CG C 24.849 0.2 1 166 20 20 LYS CD C 29.156 0.2 1 167 20 20 LYS CE C 42.57 0.2 1 168 20 20 LYS N N 123.282 0.2 1 169 21 21 ASN H H 8.464 0.02 1 170 21 21 ASN HA H 4.592 0.02 1 171 21 21 ASN HB2 H 2.785 0.02 2 172 21 21 ASN HD21 H 7.674 0.02 1 173 21 21 ASN HD22 H 6.99 0.02 1 174 21 21 ASN C C 176.4 0.2 1 175 21 21 ASN CA C 54.593 0.2 1 176 21 21 ASN CB C 38.53 0.2 1 177 21 21 ASN N N 118.889 0.2 1 178 21 21 ASN ND2 N 113.626 0.2 1 179 22 22 GLU H H 8.178 0.02 1 180 22 22 GLU HA H 4.228 0.02 1 181 22 22 GLU HB2 H 2.049 0.02 2 182 22 22 GLU HG2 H 2.272 0.02 2 183 22 22 GLU C C 177.591 0.2 1 184 22 22 GLU CA C 57.7 0.2 1 185 22 22 GLU CB C 30.037 0.2 1 186 22 22 GLU CG C 36.172 0.2 1 187 22 22 GLU N N 122.421 0.2 1 188 23 23 LEU H H 8.229 0.02 1 189 23 23 LEU HA H 4.153 0.02 1 190 23 23 LEU HB2 H 1.72 0.02 2 191 23 23 LEU HG H 1.641 0.02 1 192 23 23 LEU HD1 H 0.904 0.02 2 193 23 23 LEU C C 178.359 0.2 1 194 23 23 LEU CA C 56.856 0.2 1 195 23 23 LEU CB C 42.002 0.2 1 196 23 23 LEU CG C 27.155 0.2 1 197 23 23 LEU CD1 C 24.526 0.2 2 198 23 23 LEU CD2 C 23.876 0.2 2 199 23 23 LEU N N 122.699 0.2 1 200 24 24 LYS H H 8.018 0.02 1 201 24 24 LYS HA H 4.154 0.02 1 202 24 24 LYS HB2 H 1.848 0.02 2 203 24 24 LYS HG2 H 1.517 0.02 2 204 24 24 LYS HG3 H 1.435 0.02 2 205 24 24 LYS HD2 H 1.69 0.02 2 206 24 24 LYS HE2 H 2.986 0.02 2 207 24 24 LYS C C 177.709 0.2 1 208 24 24 LYS CA C 57.832 0.2 1 209 24 24 LYS CB C 32.666 0.2 1 210 24 24 LYS CG C 25.06 0.2 1 211 24 24 LYS CD C 29.203 0.2 1 212 24 24 LYS CE C 42.161 0.2 1 213 24 24 LYS N N 120.507 0.2 1 214 25 25 ARG H H 7.99 0.02 1 215 25 25 ARG HA H 4.167 0.02 1 216 25 25 ARG HB2 H 1.861 0.02 2 217 25 25 ARG HG2 H 1.673 0.02 2 218 25 25 ARG HD2 H 3.202 0.02 2 219 25 25 ARG HE H 7.401 0.02 1 220 25 25 ARG C C 177.405 0.2 1 221 25 25 ARG CA C 57.641 0.2 1 222 25 25 ARG CB C 30.685 0.2 1 223 25 25 ARG CG C 27.358 0.2 1 224 25 25 ARG CD C 43.494 0.2 1 225 25 25 ARG N N 121.247 0.2 1 226 25 25 ARG NE N 85.032 0.2 1 227 26 26 ARG H H 8.204 0.02 1 228 26 26 ARG HA H 4.232 0.02 1 229 26 26 ARG HB2 H 1.856 0.02 2 230 26 26 ARG HG2 H 1.644 0.02 2 231 26 26 ARG HD2 H 3.176 0.02 2 232 26 26 ARG HE H 7.463 0.02 1 233 26 26 ARG C C 177.091 0.2 1 234 26 26 ARG CA C 57.269 0.2 1 235 26 26 ARG CB C 30.623 0.2 1 236 26 26 ARG CG C 27.333 0.2 1 237 26 26 ARG CD C 43.656 0.2 1 238 26 26 ARG N N 121.923 0.2 1 239 26 26 ARG NE N 85.405 0.2 1 240 27 27 LEU H H 8.166 0.02 1 241 27 27 LEU HA H 4.268 0.02 1 242 27 27 LEU HB2 H 1.698 0.02 2 243 27 27 LEU HG H 1.59 0.02 1 244 27 27 LEU HD1 H 0.902 0.02 2 245 27 27 LEU C C 178.069 0.2 1 246 27 27 LEU CA C 56.031 0.2 1 247 27 27 LEU CB C 42.322 0.2 1 248 27 27 LEU CG C 27.111 0.2 1 249 27 27 LEU CD1 C 24.757 0.2 2 250 27 27 LEU CD2 C 23.635 0.2 2 251 27 27 LEU N N 122.91 0.2 1 252 28 28 LYS H H 8.103 0.02 1 253 28 28 LYS HA H 4.221 0.02 1 254 28 28 LYS HB2 H 1.833 0.02 2 255 28 28 LYS HG2 H 1.452 0.02 2 256 28 28 LYS HD2 H 1.691 0.02 2 257 28 28 LYS HE2 H 2.991 0.02 2 258 28 28 LYS C C 176.818 0.2 1 259 28 28 LYS CA C 57.079 0.2 1 260 28 28 LYS CB C 32.938 0.2 1 261 28 28 LYS CG C 24.816 0.2 1 262 28 28 LYS CD C 29.182 0.2 1 263 28 28 LYS CE C 42.231 0.2 1 264 28 28 LYS N N 121.836 0.2 1 265 29 29 ALA H H 8.138 0.02 1 266 29 29 ALA HA H 4.275 0.02 1 267 29 29 ALA HB H 1.415 0.02 1 268 29 29 ALA C C 178.169 0.2 1 269 29 29 ALA CA C 52.973 0.2 1 270 29 29 ALA CB C 19.153 0.2 1 271 29 29 ALA N N 125.094 0.2 1 272 30 30 GLU H H 8.303 0.02 1 273 30 30 GLU HA H 4.239 0.02 1 274 30 30 GLU HB2 H 2.005 0.02 2 275 30 30 GLU HG2 H 2.365 0.02 2 276 30 30 GLU C C 176.971 0.2 1 277 30 30 GLU CA C 56.906 0.2 1 278 30 30 GLU CB C 30.496 0.2 1 279 30 30 GLU CG C 36.401 0.2 1 280 30 30 GLU N N 120.993 0.2 1 281 31 31 LYS H H 8.279 0.02 1 282 31 31 LYS HA H 4.247 0.02 1 283 31 31 LYS HB2 H 1.82 0.02 2 284 31 31 LYS HG2 H 1.49 0.02 2 285 31 31 LYS HD2 H 1.689 0.02 2 286 31 31 LYS HE2 H 2.992 0.02 2 287 31 31 LYS C C 176.782 0.2 1 288 31 31 LYS CA C 56.822 0.2 1 289 31 31 LYS CB C 32.946 0.2 1 290 31 31 LYS CG C 24.755 0.2 1 291 31 31 LYS CD C 29.154 0.2 1 292 31 31 LYS CE C 42.216 0.2 1 293 31 31 LYS N N 123.297 0.2 1 294 32 32 LYS H H 8.298 0.02 1 295 32 32 LYS HA H 4.313 0.02 1 296 32 32 LYS HB2 H 1.805 0.02 2 297 32 32 LYS HG2 H 1.437 0.02 2 298 32 32 LYS HD2 H 1.691 0.02 2 299 32 32 LYS HE2 H 2.99 0.02 2 300 32 32 LYS C C 177.108 0.2 1 301 32 32 LYS CA C 56.767 0.2 1 302 32 32 LYS CB C 32.964 0.2 1 303 32 32 LYS CG C 24.756 0.2 1 304 32 32 LYS CD C 29.073 0.2 1 305 32 32 LYS CE C 42.267 0.2 1 306 32 32 LYS N N 123.4 0.2 1 307 33 33 VAL H H 8.122 0.02 1 308 33 33 VAL HA H 4.019 0.02 1 309 33 33 VAL HB H 2.077 0.02 1 310 33 33 VAL HG1 H 0.961 0.02 2 311 33 33 VAL C C 176.264 0.2 1 312 33 33 VAL CA C 62.995 0.2 1 313 33 33 VAL CB C 32.81 0.2 1 314 33 33 VAL CG1 C 21.124 0.2 2 315 33 33 VAL N N 122.553 0.2 1 316 34 34 ALA H H 8.352 0.02 1 317 34 34 ALA HA H 4.28 0.02 1 318 34 34 ALA HB H 1.418 0.02 1 319 34 34 ALA C C 178.384 0.2 1 320 34 34 ALA CA C 53.027 0.2 1 321 34 34 ALA CB C 19.119 0.2 1 322 34 34 ALA N N 127.72 0.2 1 323 35 35 GLU H H 8.393 0.02 1 324 35 35 GLU HA H 4.201 0.02 1 325 35 35 GLU HB2 H 2.021 0.02 2 326 35 35 GLU HG2 H 2.318 0.02 2 327 35 35 GLU C C 177.249 0.2 1 328 35 35 GLU CA C 57.411 0.2 1 329 35 35 GLU CB C 30.284 0.2 1 330 35 35 GLU CG C 36.455 0.2 1 331 35 35 GLU N N 121.224 0.2 1 332 36 36 LYS H H 8.269 0.02 1 333 36 36 LYS HA H 4.216 0.02 1 334 36 36 LYS HB2 H 1.842 0.02 2 335 36 36 LYS HG2 H 1.447 0.02 2 336 36 36 LYS HD2 H 1.69 0.02 2 337 36 36 LYS HE2 H 2.995 0.02 2 338 36 36 LYS C C 177.31 0.2 1 339 36 36 LYS CA C 57.423 0.2 1 340 36 36 LYS CB C 32.939 0.2 1 341 36 36 LYS CG C 24.782 0.2 1 342 36 36 LYS CD C 29.167 0.2 1 343 36 36 LYS CE C 42.245 0.2 1 344 36 36 LYS N N 122.229 0.2 1 345 37 37 GLU H H 8.329 0.02 1 346 37 37 GLU HA H 4.203 0.02 1 347 37 37 GLU HB2 H 2.008 0.02 2 348 37 37 GLU HG2 H 2.272 0.02 2 349 37 37 GLU C C 176.99 0.2 1 350 37 37 GLU CA C 57.27 0.2 1 351 37 37 GLU CB C 30.274 0.2 1 352 37 37 GLU CG C 36.489 0.2 1 353 37 37 GLU N N 121.981 0.2 1 354 38 38 ALA H H 8.27 0.02 1 355 38 38 ALA HA H 4.235 0.02 1 356 38 38 ALA HB H 1.428 0.02 1 357 38 38 ALA C C 178.553 0.2 1 358 38 38 ALA CA C 53.344 0.2 1 359 38 38 ALA CB C 19.014 0.2 1 360 38 38 ALA N N 125.492 0.2 1 361 39 39 LYS H H 8.209 0.02 1 362 39 39 LYS HA H 4.251 0.02 1 363 39 39 LYS HB2 H 1.837 0.02 2 364 39 39 LYS HB3 H 1.69 0.02 2 365 39 39 LYS HG2 H 1.474 0.02 2 366 39 39 LYS HD2 H 1.763 0.02 2 367 39 39 LYS HE2 H 2.989 0.02 2 368 39 39 LYS C C 177.328 0.2 1 369 39 39 LYS CA C 56.904 0.2 1 370 39 39 LYS CB C 32.757 0.2 1 371 39 39 LYS CG C 24.721 0.2 1 372 39 39 LYS CD C 28.957 0.2 1 373 39 39 LYS N N 120.773 0.2 1 374 40 40 GLN H H 8.268 0.02 1 375 40 40 GLN HA H 4.235 0.02 1 376 40 40 GLN HB2 H 2.109 0.02 2 377 40 40 GLN HG2 H 2.416 0.02 2 378 40 40 GLN C C 176.844 0.2 1 379 40 40 GLN CA C 56.765 0.2 1 380 40 40 GLN CB C 29.146 0.2 1 381 40 40 GLN CG C 33.894 0.2 1 382 40 40 GLN N N 121.498 0.2 1 383 41 41 LYS H H 8.28 0.02 1 384 41 41 LYS C C 177.136 0.2 1 385 41 41 LYS CA C 57.436 0.2 1 386 41 41 LYS CB C 33.036 0.2 1 387 41 41 LYS N N 123.001 0.2 1 388 42 42 GLU H H 8.329 0.02 1 389 42 42 GLU HA H 4.224 0.02 1 390 42 42 GLU HB2 H 2.05 0.02 2 391 42 42 GLU HG2 H 2.284 0.02 2 392 42 42 GLU C C 177.207 0.2 1 393 42 42 GLU CA C 57.275 0.2 1 394 42 42 GLU CB C 30.142 0.2 1 395 42 42 GLU CG C 36.297 0.2 1 396 42 42 GLU N N 122.022 0.2 1 397 43 43 LEU H H 8.214 0.02 1 398 43 43 LEU HA H 4.323 0.02 1 399 43 43 LEU HB2 H 1.682 0.02 2 400 43 43 LEU HG H 1.576 0.02 1 401 43 43 LEU HD1 H 0.901 0.02 2 402 43 43 LEU C C 178.03 0.2 1 403 43 43 LEU CA C 55.917 0.2 1 404 43 43 LEU CB C 42.313 0.2 1 405 43 43 LEU CG C 27.132 0.2 1 406 43 43 LEU CD1 C 24.729 0.2 2 407 43 43 LEU CD2 C 23.717 0.2 2 408 43 43 LEU N N 122.904 0.2 1 409 44 44 SER H H 8.285 0.02 1 410 44 44 SER HA H 4.404 0.02 1 411 44 44 SER HB2 H 3.941 0.02 2 412 44 44 SER C C 175.239 0.2 1 413 44 44 SER CA C 59.079 0.2 1 414 44 44 SER CB C 63.811 0.2 1 415 44 44 SER N N 116.803 0.2 1 416 45 45 GLU H H 8.381 0.02 1 417 45 45 GLU HA H 4.228 0.02 1 418 45 45 GLU HB2 H 2.05 0.02 2 419 45 45 GLU HG2 H 2.283 0.02 2 420 45 45 GLU C C 177.416 0.2 1 421 45 45 GLU CA C 57.648 0.2 1 422 45 45 GLU CB C 30.039 0.2 1 423 45 45 GLU CG C 36.426 0.2 1 424 45 45 GLU N N 123.012 0.2 1 425 46 46 LYS H H 8.184 0.02 1 426 46 46 LYS HA H 4.245 0.02 1 427 46 46 LYS HB2 H 1.833 0.02 2 428 46 46 LYS HG2 H 1.475 0.02 2 429 46 46 LYS HD2 H 1.683 0.02 2 430 46 46 LYS HE2 H 2.989 0.02 2 431 46 46 LYS C C 177.301 0.2 1 432 46 46 LYS CA C 57.274 0.2 1 433 46 46 LYS CB C 32.807 0.2 1 434 46 46 LYS CG C 24.863 0.2 1 435 46 46 LYS CD C 29.103 0.2 1 436 46 46 LYS CE C 42.214 0.2 1 437 46 46 LYS N N 121.851 0.2 1 438 47 47 GLN H H 8.221 0.02 1 439 47 47 GLN HA H 4.272 0.02 1 440 47 47 GLN HB2 H 2.083 0.02 2 441 47 47 GLN HG2 H 2.394 0.02 2 442 47 47 GLN C C 176.809 0.2 1 443 47 47 GLN CA C 56.607 0.2 1 444 47 47 GLN CB C 29.299 0.2 1 445 47 47 GLN CG C 34.042 0.2 1 446 47 47 GLN N N 121.135 0.2 1 447 48 48 LEU H H 8.257 0.02 1 448 48 48 LEU HA H 4.325 0.02 1 449 48 48 LEU HB2 H 1.657 0.02 2 450 48 48 LEU HD1 H 0.902 0.02 2 451 48 48 LEU C C 178.022 0.2 1 452 48 48 LEU CA C 55.911 0.2 1 453 48 48 LEU CB C 42.334 0.2 1 454 48 48 LEU CG C 27.104 0.2 1 455 48 48 LEU CD1 C 24.716 0.2 2 456 48 48 LEU CD2 C 23.798 0.2 2 457 48 48 LEU N N 123.482 0.2 1 458 49 49 SER H H 8.237 0.02 1 459 49 49 SER HA H 4.411 0.02 1 460 49 49 SER HB2 H 3.916 0.02 2 461 49 49 SER C C 175.043 0.2 1 462 49 49 SER CA C 58.906 0.2 1 463 49 49 SER CB C 63.669 0.2 1 464 49 49 SER N N 116.682 0.2 1 465 50 50 GLN H H 8.29 0.02 1 466 50 50 GLN HA H 4.328 0.02 1 467 50 50 GLN HB2 H 2.155 0.02 2 468 50 50 GLN HG2 H 2.402 0.02 2 469 50 50 GLN C C 176.203 0.2 1 470 50 50 GLN CA C 56.304 0.2 1 471 50 50 GLN CB C 29.435 0.2 1 472 50 50 GLN CG C 33.909 0.2 1 473 50 50 GLN N N 122.595 0.2 1 474 51 51 ALA H H 8.256 0.02 1 475 51 51 ALA HA H 4.337 0.02 1 476 51 51 ALA HB H 1.427 0.02 1 477 51 51 ALA C C 178.401 0.2 1 478 51 51 ALA CA C 53.142 0.2 1 479 51 51 ALA CB C 19.139 0.2 1 480 51 51 ALA N N 125.278 0.2 1 481 52 52 THR H H 8.066 0.02 1 482 52 52 THR HA H 4.297 0.02 1 483 52 52 THR HG2 H 1.222 0.02 1 484 52 52 THR C C 174.744 0.2 1 485 52 52 THR CA C 62.277 0.2 1 486 52 52 THR CB C 69.812 0.2 1 487 52 52 THR CG2 C 21.724 0.2 1 488 52 52 THR N N 113.959 0.2 1 489 53 53 ALA H H 8.221 0.02 1 490 53 53 ALA C C 177.714 0.2 1 491 53 53 ALA CA C 52.889 0.2 1 492 53 53 ALA CB C 19.234 0.2 1 493 53 53 ALA N N 127.023 0.2 1 494 54 54 ALA HA H 4.286 0.02 1 495 54 54 ALA HB H 1.395 0.02 1 496 54 54 ALA C C 177.785 0.2 1 497 54 54 ALA CA C 52.832 0.2 1 498 54 54 ALA CB C 19.136 0.2 1 499 55 55 ALA H H 8.181 0.02 1 500 55 55 ALA HA H 4.338 0.02 1 501 55 55 ALA HB H 1.421 0.02 1 502 55 55 ALA C C 178.147 0.2 1 503 55 55 ALA CA C 52.743 0.2 1 504 55 55 ALA CB C 19.264 0.2 1 505 55 55 ALA N N 123.574 0.2 1 506 56 56 THR H H 8.046 0.02 1 507 56 56 THR HA H 4.319 0.02 1 508 56 56 THR HB H 4.193 0.02 1 509 56 56 THR HG2 H 1.165 0.02 1 510 56 56 THR C C 174.314 0.2 1 511 56 56 THR CA C 61.885 0.2 1 512 56 56 THR CB C 69.84 0.2 1 513 56 56 THR CG2 C 21.632 0.2 1 514 56 56 THR N N 113.261 0.2 1 515 57 57 ASN H H 8.336 0.02 1 516 57 57 ASN HA H 4.693 0.02 1 517 57 57 ASN HB2 H 2.782 0.02 2 518 57 57 ASN HD21 H 7.592 0.02 1 519 57 57 ASN HD22 H 6.907 0.02 1 520 57 57 ASN C C 174.908 0.2 1 521 57 57 ASN CA C 53.232 0.2 1 522 57 57 ASN CB C 38.932 0.2 1 523 57 57 ASN N N 121.347 0.2 1 524 57 57 ASN ND2 N 113.512 0.2 1 525 58 58 HIS H H 8.474 0.02 1 526 58 58 HIS HB2 H 3.3 0.02 2 527 58 58 HIS HB3 H 3.154 0.02 2 528 58 58 HIS C C 174.82 0.2 1 529 58 58 HIS CA C 55.632 0.2 1 530 58 58 HIS CB C 29.459 0.2 1 531 58 58 HIS N N 120.154 0.2 1 532 59 59 THR H H 8.313 0.02 1 533 59 59 THR HA H 4.418 0.02 1 534 59 59 THR HB H 4.282 0.02 1 535 59 59 THR HG2 H 1.198 0.02 1 536 59 59 THR C C 174.73 0.2 1 537 59 59 THR CA C 62.132 0.2 1 538 59 59 THR CB C 69.894 0.2 1 539 59 59 THR CG2 C 21.747 0.2 1 540 59 59 THR N N 116.367 0.2 1 541 60 60 THR H H 8.182 0.02 1 542 60 60 THR HA H 4.414 0.02 1 543 60 60 THR HG2 H 1.178 0.02 1 544 60 60 THR C C 174.171 0.2 1 545 60 60 THR CA C 61.675 0.2 1 546 60 60 THR CB C 69.889 0.2 1 547 60 60 THR CG2 C 21.688 0.2 1 548 60 60 THR N N 115.594 0.2 1 549 61 61 ASP H H 8.341 0.02 1 550 61 61 ASP HA H 4.617 0.02 1 551 61 61 ASP HB2 H 2.746 0.02 2 552 61 61 ASP HB3 H 2.645 0.02 2 553 61 61 ASP C C 176.059 0.2 1 554 61 61 ASP CA C 54.471 0.2 1 555 61 61 ASP CB C 41.241 0.2 1 556 61 61 ASP N N 123.397 0.2 1 557 62 62 ASP H H 7.995 0.02 1 558 62 62 ASP HA H 4.463 0.02 1 559 62 62 ASP HB2 H 2.767 0.02 2 560 62 62 ASP HB3 H 2.699 0.02 2 561 62 62 ASP C C 176.171 0.2 1 562 62 62 ASP CA C 41.117 0.2 1 563 62 62 ASP CB C 54.947 0.2 1 564 62 62 ASP N N 124.534 0.2 1 565 63 63 GLY H H 8.219 0.02 1 566 63 63 GLY HA2 H 3.966 0.02 2 567 63 63 GLY HA3 H 3.889 0.02 2 568 63 63 GLY C C 174.182 0.2 1 569 63 63 GLY CA C 45.364 0.2 1 570 63 63 GLY N N 114.646 0.2 1 571 64 64 VAL H H 8.089 0.02 1 572 64 64 VAL HA H 4.119 0.02 1 573 64 64 VAL HB H 2.039 0.02 1 574 64 64 VAL HG1 H 0.907 0.02 2 575 64 64 VAL C C 176.247 0.2 1 576 64 64 VAL CA C 62.2 0.2 1 577 64 64 VAL CB C 32.915 0.2 1 578 64 64 VAL CG1 C 20.937 0.2 2 579 64 64 VAL N N 119.985 0.2 1 580 65 65 LEU H H 8.386 0.02 1 581 65 65 LEU C C 175.336 0.2 1 582 65 65 LEU CA C 53.038 0.2 1 583 65 65 LEU CB C 41.802 0.2 1 584 65 65 LEU N N 128.249 0.2 1 585 66 66 PRO HA H 4.406 0.02 1 586 66 66 PRO HB2 H 2.272 0.02 2 587 66 66 PRO HG2 H 2.002 0.02 2 588 66 66 PRO HG3 H 1.911 0.02 2 589 66 66 PRO HD2 H 3.859 0.02 2 590 66 66 PRO HD3 H 3.655 0.02 2 591 66 66 PRO C C 177.073 0.2 1 592 66 66 PRO CA C 63.145 0.2 1 593 66 66 PRO CB C 32.167 0.2 1 594 66 66 PRO CG C 27.536 0.2 1 595 66 66 PRO CD C 50.75 0.2 1 596 67 67 GLU H H 8.57 0.02 1 597 67 67 GLU HA H 4.329 0.02 1 598 67 67 GLU HB2 H 2.012 0.02 2 599 67 67 GLU HG2 H 2.269 0.02 2 600 67 67 GLU C C 177.024 0.2 1 601 67 67 GLU CA C 56.738 0.2 1 602 67 67 GLU CB C 30.223 0.2 1 603 67 67 GLU CG C 36.309 0.2 1 604 67 67 GLU N N 121.705 0.2 1 605 68 68 THR H H 8.212 0.02 1 606 68 68 THR HA H 4.345 0.02 1 607 68 68 THR HB H 4.278 0.02 1 608 68 68 THR HG2 H 1.197 0.02 1 609 68 68 THR C C 175.439 0.2 1 610 68 68 THR CA C 62.011 0.2 1 611 68 68 THR CB C 69.916 0.2 1 612 68 68 THR CG2 C 21.67 0.2 1 613 68 68 THR N N 115.338 0.2 1 614 69 69 GLY H H 8.508 0.02 1 615 69 69 GLY HA2 H 3.979 0.02 2 616 69 69 GLY C C 174.761 0.2 1 617 69 69 GLY CA C 45.562 0.2 1 618 69 69 GLY N N 111.843 0.2 1 619 70 70 GLY H H 8.279 0.02 1 620 70 70 GLY HA2 H 3.869 0.02 2 621 70 70 GLY C C 174.012 0.2 1 622 70 70 GLY CA C 45.255 0.2 1 623 70 70 GLY N N 108.938 0.2 1 624 71 71 HIS H H 8.272 0.02 1 625 71 71 HIS C C 174.733 0.2 1 626 71 71 HIS CA C 55.654 0.2 1 627 71 71 HIS CB C 29.68 0.2 1 628 71 71 HIS N N 118.84 0.2 1 629 75 75 HIS HA H 4.601 0.02 1 630 75 75 HIS HB2 H 3.165 0.02 2 631 75 75 HIS C C 173.831 0.2 1 632 75 75 HIS CA C 55.841 0.2 1 633 75 75 HIS CB C 29.819 0.2 1 634 76 76 HIS H H 8.26 0.02 1 635 76 76 HIS C C 179.027 0.2 1 636 76 76 HIS CA C 57.24 0.2 1 637 76 76 HIS CB C 30.051 0.2 1 638 76 76 HIS N N 126.029 0.2 1 stop_ save_