data_18190 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the protein BC008182, a DNAJ-like domain from Homo sapiens ; _BMRB_accession_number 18190 _BMRB_flat_file_name bmr18190.str _Entry_type original _Submission_date 2012-01-09 _Accession_date 2012-01-09 _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 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . 5 JCSG JCSG . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 431 "13C chemical shifts" 244 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-13 original author . stop_ _Original_release_date 2012-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the protein BC008182, DNAJ homolog from Homo sapiens' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . 5 JCSG JCSG . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BC008182 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BC008182 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8224.376 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GMVKETTYYDVLGVKPNATQ EELKKAYRKLALKYHPDKNP NEGEKFKQISQAYEVLSDAK KRELYDKGGEQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 MET 3 VAL 4 LYS 5 GLU 6 THR 7 THR 8 TYR 9 TYR 10 ASP 11 VAL 12 LEU 13 GLY 14 VAL 15 LYS 16 PRO 17 ASN 18 ALA 19 THR 20 GLN 21 GLU 22 GLU 23 LEU 24 LYS 25 LYS 26 ALA 27 TYR 28 ARG 29 LYS 30 LEU 31 ALA 32 LEU 33 LYS 34 TYR 35 HIS 36 PRO 37 ASP 38 LYS 39 ASN 40 PRO 41 ASN 42 GLU 43 GLY 44 GLU 45 LYS 46 PHE 47 LYS 48 GLN 49 ILE 50 SER 51 GLN 52 ALA 53 TYR 54 GLU 55 VAL 56 LEU 57 SER 58 ASP 59 ALA 60 LYS 61 LYS 62 ARG 63 GLU 64 LEU 65 TYR 66 ASP 67 LYS 68 GLY 69 GLY 70 GLU 71 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 19163 J-domain_of_DnaJA1 94.37 77 100.00 100.00 1.66e-39 PDB 2LO1 "Nmr Structure Of The Protein Bc008182, A Dnaj-like Domain From Homo Sapiens" 100.00 71 100.00 100.00 2.93e-42 PDB 2M6Y "The Solution Structure Of The J-domain Of Human Dnaja1" 94.37 77 100.00 100.00 1.66e-39 DBJ BAA02656 "DnaJ protein homolog [Homo sapiens]" 98.59 397 100.00 100.00 1.20e-38 DBJ BAC38744 "unnamed protein product [Mus musculus]" 98.59 397 97.14 100.00 9.17e-38 DBJ BAC82111 "DnaJ (Hsp40) homolog, subfamily A, member 1 [Cricetulus griseus]" 98.59 397 97.14 100.00 9.17e-38 DBJ BAD82815 "DnaJ (Hsp40) homolog, subfamily A, member 1 [Mus musculus]" 98.59 397 97.14 100.00 9.17e-38 DBJ BAE26788 "unnamed protein product [Mus musculus]" 98.59 397 97.14 100.00 9.17e-38 EMBL CAI29674 "hypothetical protein [Pongo abelii]" 98.59 396 100.00 100.00 1.26e-38 GB AAA98855 "DnaJ-like protein [Rattus norvegicus]" 98.59 397 97.14 100.00 9.17e-38 GB AAC37517 "DNAJ homologue-2 [Homo sapiens]" 98.59 397 100.00 100.00 1.18e-38 GB AAC78597 "DnaJ-like protein [Mus musculus]" 98.59 397 97.14 100.00 9.17e-38 GB AAH08182 "DnaJ (Hsp40) homolog, subfamily A, member 1 [Homo sapiens]" 98.59 397 100.00 100.00 1.18e-38 GB AAH57876 "DnaJ (Hsp40) homolog, subfamily A, member 1 [Mus musculus]" 98.59 397 97.14 100.00 9.17e-38 PIR S34632 "dnaJ protein homolog - human" 98.59 189 100.00 100.00 7.11e-41 REF NP_001015637 "dnaJ homolog subfamily A member 1 [Bos taurus]" 98.59 397 100.00 100.00 1.16e-38 REF NP_001127102 "dnaJ homolog subfamily A member 1 [Pongo abelii]" 98.59 396 100.00 100.00 1.26e-38 REF NP_001158143 "dnaJ homolog subfamily A member 1 [Mus musculus]" 98.59 397 97.14 100.00 9.17e-38 REF NP_001158144 "dnaJ homolog subfamily A member 1 [Mus musculus]" 98.59 397 97.14 100.00 9.17e-38 REF NP_001231092 "dnaJ homolog subfamily A member 1 [Sus scrofa]" 98.59 397 100.00 100.00 1.18e-38 SP P31689 "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ protein homolog 2; AltName: Full=HSDJ; AltName: Full=Heat s" 98.59 397 100.00 100.00 1.18e-38 SP P63036 "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ-like protein 1; AltName: Full=Heat shock protein J2; Short=" 98.59 397 97.14 100.00 9.17e-38 SP P63037 "RecName: Full=DnaJ homolog subfamily A member 1; AltName: Full=DnaJ protein homolog 2; AltName: Full=Heat shock 40 kDa protein " 98.59 397 97.14 100.00 9.17e-38 SP Q5E954 "RecName: Full=DnaJ homolog subfamily A member 1; Flags: Precursor" 98.59 397 100.00 100.00 1.18e-38 SP Q5NVI9 "RecName: Full=DnaJ homolog subfamily A member 1; Flags: Precursor" 98.59 396 100.00 100.00 1.26e-38 TPG DAA12974 "TPA: DnaJ (Hsp40) homolog, subfamily A, member 1-like [Bos taurus]" 98.59 397 100.00 100.00 1.20e-38 TPG DAA26671 "TPA: dnaJ homolog subfamily A member 1 [Bos taurus]" 98.59 397 100.00 100.00 1.18e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pSpeedet stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_4D_HACANH_APSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HACANH APSY' _Sample_label $sample_1 save_ save_5D_HACACONH_APSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HACACONH APSY' _Sample_label $sample_1 save_ save_5D_CBCACONH_APSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D CBCACONH APSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.080 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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' '4D HACANH APSY' '5D HACACONH APSY' '5D CBCACONH APSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 BC008182 _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 MET H H 8.153 0.005 1 2 2 2 MET HA H 4.407 0.005 1 3 2 2 MET CA C 53.075 0.137 1 4 2 2 MET CB C 30.729 0.137 1 5 2 2 MET N N 121.418 0.091 1 6 3 3 VAL H H 8.154 0.005 1 7 3 3 VAL HA H 4.084 0.005 1 8 3 3 VAL HB H 1.998 0.005 1 9 3 3 VAL HG1 H 0.807 0.005 1 10 3 3 VAL HG2 H 0.807 0.005 1 11 3 3 VAL CA C 59.255 0.137 1 12 3 3 VAL CB C 30.362 0.137 1 13 3 3 VAL CG1 C 18.025 0.137 2 14 3 3 VAL CG2 C 18.278 0.137 2 15 3 3 VAL N N 121.368 0.091 1 16 4 4 LYS H H 8.350 0.005 1 17 4 4 LYS HA H 4.166 0.005 1 18 4 4 LYS HB2 H 1.650 0.005 2 19 4 4 LYS HB3 H 1.650 0.005 2 20 4 4 LYS HG2 H 1.304 0.005 2 21 4 4 LYS HG3 H 1.304 0.005 2 22 4 4 LYS HD2 H 2.005 0.005 2 23 4 4 LYS HD3 H 2.005 0.005 2 24 4 4 LYS CA C 53.906 0.137 1 25 4 4 LYS CB C 30.454 0.137 1 26 4 4 LYS CG C 22.303 0.137 1 27 4 4 LYS CD C 30.344 0.137 1 28 4 4 LYS N N 126.046 0.091 1 29 5 5 GLU H H 8.515 0.005 1 30 5 5 GLU HA H 4.327 0.005 1 31 5 5 GLU HB2 H 1.815 0.005 2 32 5 5 GLU HB3 H 1.926 0.005 2 33 5 5 GLU HG2 H 2.137 0.005 2 34 5 5 GLU HG3 H 2.137 0.005 2 35 5 5 GLU CA C 53.477 0.137 1 36 5 5 GLU CB C 28.171 0.137 1 37 5 5 GLU CG C 33.556 0.137 1 38 5 5 GLU N N 122.437 0.091 1 39 6 6 THR H H 8.374 0.005 1 40 6 6 THR HA H 4.543 0.005 1 41 6 6 THR HB H 4.323 0.005 1 42 6 6 THR HG2 H 1.128 0.005 1 43 6 6 THR CA C 59.305 0.137 1 44 6 6 THR CB C 67.029 0.137 1 45 6 6 THR CG2 C 19.219 0.137 1 46 6 6 THR N N 114.535 0.091 1 47 7 7 THR H H 8.600 0.005 1 48 7 7 THR HA H 4.310 0.005 1 49 7 7 THR HB H 4.540 0.005 1 50 7 7 THR HG2 H 1.292 0.005 1 51 7 7 THR CA C 60.160 0.137 1 52 7 7 THR CB C 68.820 0.137 1 53 7 7 THR CG2 C 19.089 0.137 1 54 7 7 THR N N 117.101 0.091 1 55 8 8 TYR H H 8.270 0.005 1 56 8 8 TYR HA H 4.291 0.005 1 57 8 8 TYR HB2 H 2.573 0.005 2 58 8 8 TYR HB3 H 1.969 0.005 2 59 8 8 TYR HD1 H 6.084 0.005 3 60 8 8 TYR HD2 H 6.084 0.005 3 61 8 8 TYR HE1 H 6.543 0.005 3 62 8 8 TYR HE2 H 6.543 0.005 3 63 8 8 TYR CA C 54.876 0.137 1 64 8 8 TYR CB C 34.404 0.137 1 65 8 8 TYR CD1 C 127.284 0.137 3 66 8 8 TYR CD2 C 127.280 0.137 3 67 8 8 TYR CE1 C 115.489 0.137 3 68 8 8 TYR CE2 C 115.480 0.137 3 69 8 8 TYR N N 117.507 0.091 1 70 9 9 TYR H H 7.026 0.005 1 71 9 9 TYR HA H 3.760 0.005 1 72 9 9 TYR HB2 H 3.014 0.005 2 73 9 9 TYR HB3 H 2.721 0.005 2 74 9 9 TYR HD1 H 6.930 0.005 3 75 9 9 TYR HD2 H 6.930 0.005 3 76 9 9 TYR HE1 H 6.888 0.005 3 77 9 9 TYR HE2 H 6.888 0.005 3 78 9 9 TYR CA C 58.792 0.137 1 79 9 9 TYR CB C 33.994 0.137 1 80 9 9 TYR CD2 C 130.055 0.137 3 81 9 9 TYR CE2 C 116.019 0.137 3 82 9 9 TYR N N 115.054 0.091 1 83 10 10 ASP H H 7.803 0.005 1 84 10 10 ASP HA H 4.387 0.005 1 85 10 10 ASP HB2 H 2.705 0.005 2 86 10 10 ASP HB3 H 2.986 0.005 2 87 10 10 ASP CA C 54.822 0.137 1 88 10 10 ASP CB C 38.028 0.137 1 89 10 10 ASP N N 119.619 0.091 1 90 11 11 VAL H H 8.068 0.005 1 91 11 11 VAL HA H 3.617 0.005 1 92 11 11 VAL HB H 2.122 0.005 1 93 11 11 VAL HG1 H 0.779 0.005 2 94 11 11 VAL HG2 H 0.998 0.005 2 95 11 11 VAL CA C 63.106 0.137 1 96 11 11 VAL CB C 29.054 0.137 1 97 11 11 VAL CG1 C 19.750 0.137 2 98 11 11 VAL CG2 C 20.185 0.137 2 99 11 11 VAL N N 119.730 0.091 1 100 12 12 LEU H H 6.822 0.005 1 101 12 12 LEU HA H 4.265 0.005 1 102 12 12 LEU HB2 H 1.701 0.005 2 103 12 12 LEU HB3 H 1.560 0.005 2 104 12 12 LEU HG H 1.745 0.005 1 105 12 12 LEU HD2 H 0.927 0.005 2 106 12 12 LEU CA C 51.804 0.137 1 107 12 12 LEU CB C 40.361 0.137 1 108 12 12 LEU CG C 24.582 0.137 1 109 12 12 LEU CD2 C 21.167 0.137 2 110 12 12 LEU N N 115.420 0.091 1 111 13 13 GLY H H 7.877 0.005 1 112 13 13 GLY HA2 H 3.895 0.005 2 113 13 13 GLY HA3 H 3.895 0.005 2 114 13 13 GLY CA C 43.828 0.137 1 115 13 13 GLY N N 108.195 0.091 1 116 14 14 VAL H H 7.802 0.005 1 117 14 14 VAL HA H 4.761 0.005 1 118 14 14 VAL HB H 2.397 0.005 1 119 14 14 VAL HG1 H 0.888 0.005 2 120 14 14 VAL HG2 H 0.723 0.005 2 121 14 14 VAL CA C 55.615 0.137 1 122 14 14 VAL CB C 32.437 0.137 1 123 14 14 VAL CG1 C 16.840 0.137 2 124 14 14 VAL CG2 C 19.058 0.137 2 125 14 14 VAL N N 110.659 0.091 1 126 15 15 LYS H H 8.325 0.005 1 127 15 15 LYS HA H 4.484 0.005 1 128 15 15 LYS HB2 H 2.391 0.005 2 129 15 15 LYS HB3 H 2.391 0.005 2 130 15 15 LYS HG2 H 1.463 0.005 2 131 15 15 LYS HG3 H 1.390 0.005 2 132 15 15 LYS HD2 H 1.747 0.005 2 133 15 15 LYS HD3 H 1.597 0.005 2 134 15 15 LYS CA C 51.224 0.137 1 135 15 15 LYS CB C 32.423 0.137 1 136 15 15 LYS CG C 22.612 0.137 1 137 15 15 LYS CD C 29.713 0.137 1 138 15 15 LYS N N 119.857 0.091 1 139 16 16 PRO HA H 2.404 0.005 1 140 16 16 PRO HB2 H 1.705 0.005 2 141 16 16 PRO HB3 H 1.464 0.005 2 142 16 16 PRO HG2 H 1.830 0.005 2 143 16 16 PRO HG3 H 1.479 0.005 2 144 16 16 PRO HD2 H 3.608 0.005 2 145 16 16 PRO HD3 H 3.396 0.005 2 146 16 16 PRO CA C 60.642 0.137 1 147 16 16 PRO CB C 29.307 0.137 1 148 16 16 PRO CG C 25.309 0.137 1 149 16 16 PRO CD C 47.583 0.137 1 150 17 17 ASN H H 7.124 0.005 1 151 17 17 ASN HA H 4.514 0.005 1 152 17 17 ASN HB2 H 2.974 0.005 2 153 17 17 ASN HB3 H 2.520 0.005 2 154 17 17 ASN HD21 H 6.655 0.005 2 155 17 17 ASN HD22 H 7.444 0.005 2 156 17 17 ASN CA C 48.781 0.137 1 157 17 17 ASN CB C 34.279 0.137 1 158 17 17 ASN N N 111.653 0.091 1 159 17 17 ASN ND2 N 111.034 0.091 1 160 18 18 ALA H H 7.639 0.005 1 161 18 18 ALA HA H 4.317 0.005 1 162 18 18 ALA HB H 1.458 0.005 1 163 18 18 ALA CA C 50.252 0.137 1 164 18 18 ALA CB C 16.680 0.137 1 165 18 18 ALA N N 122.824 0.091 1 166 19 19 THR H H 8.831 0.005 1 167 19 19 THR HA H 4.481 0.005 1 168 19 19 THR HB H 4.782 0.005 1 169 19 19 THR HG2 H 1.344 0.005 1 170 19 19 THR CA C 57.927 0.137 1 171 19 19 THR CB C 68.526 0.137 1 172 19 19 THR CG2 C 19.413 0.137 1 173 19 19 THR N N 113.477 0.091 1 174 20 20 GLN H H 9.015 0.005 1 175 20 20 GLN HA H 4.012 0.005 1 176 20 20 GLN HB2 H 2.102 0.005 2 177 20 20 GLN HB3 H 2.074 0.005 2 178 20 20 GLN HG2 H 2.482 0.005 2 179 20 20 GLN HG3 H 2.414 0.005 2 180 20 20 GLN HE21 H 7.221 0.005 2 181 20 20 GLN HE22 H 7.441 0.005 2 182 20 20 GLN CA C 56.748 0.137 1 183 20 20 GLN CB C 25.303 0.137 1 184 20 20 GLN CG C 30.872 0.137 1 185 20 20 GLN N N 119.439 0.091 1 186 20 20 GLN NE2 N 110.209 0.091 1 187 21 21 GLU H H 8.545 0.005 1 188 21 21 GLU HA H 4.045 0.005 1 189 21 21 GLU HB2 H 1.915 0.005 2 190 21 21 GLU HB3 H 2.044 0.005 2 191 21 21 GLU HG2 H 2.283 0.005 2 192 21 21 GLU HG3 H 2.138 0.005 2 193 21 21 GLU CA C 57.062 0.137 1 194 21 21 GLU CB C 26.681 0.137 1 195 21 21 GLU CG C 33.761 0.137 1 196 21 21 GLU N N 119.296 0.091 1 197 22 22 GLU H H 7.769 0.005 1 198 22 22 GLU HA H 3.893 0.005 1 199 22 22 GLU HB2 H 2.385 0.005 2 200 22 22 GLU HB3 H 1.938 0.005 2 201 22 22 GLU HG2 H 2.377 0.005 2 202 22 22 GLU HG3 H 2.234 0.005 2 203 22 22 GLU CA C 56.872 0.137 1 204 22 22 GLU CB C 27.504 0.137 1 205 22 22 GLU CG C 35.056 0.137 1 206 22 22 GLU N N 120.581 0.091 1 207 23 23 LEU H H 8.461 0.005 1 208 23 23 LEU HA H 3.943 0.005 1 209 23 23 LEU HB2 H 1.244 0.005 2 210 23 23 LEU HB3 H 2.175 0.005 2 211 23 23 LEU HG H 1.762 0.005 1 212 23 23 LEU HD1 H 0.615 0.005 2 213 23 23 LEU HD2 H 0.762 0.005 2 214 23 23 LEU CA C 55.901 0.137 1 215 23 23 LEU CB C 39.989 0.137 1 216 23 23 LEU CG C 24.195 0.137 1 217 23 23 LEU CD1 C 24.281 0.137 2 218 23 23 LEU CD2 C 23.724 0.137 2 219 23 23 LEU N N 120.537 0.091 1 220 24 24 LYS H H 8.065 0.005 1 221 24 24 LYS HA H 3.985 0.005 1 222 24 24 LYS HB2 H 1.974 0.005 2 223 24 24 LYS HB3 H 1.974 0.005 2 224 24 24 LYS HG2 H 1.550 0.005 2 225 24 24 LYS HG3 H 1.550 0.005 2 226 24 24 LYS CA C 57.568 0.137 1 227 24 24 LYS CB C 30.049 0.137 1 228 24 24 LYS CG C 22.572 0.137 1 229 24 24 LYS N N 119.064 0.091 1 230 25 25 LYS H H 7.987 0.005 1 231 25 25 LYS HA H 3.876 0.005 1 232 25 25 LYS HB2 H 1.820 0.005 2 233 25 25 LYS HB3 H 1.820 0.005 2 234 25 25 LYS HG2 H 1.361 0.005 2 235 25 25 LYS HG3 H 1.615 0.005 2 236 25 25 LYS HD2 H 1.610 0.005 2 237 25 25 LYS HD3 H 1.610 0.005 2 238 25 25 LYS HE2 H 2.853 0.005 2 239 25 25 LYS HE3 H 2.853 0.005 2 240 25 25 LYS CA C 57.193 0.137 1 241 25 25 LYS CB C 30.344 0.137 1 242 25 25 LYS CG C 23.189 0.137 1 243 25 25 LYS CD C 27.024 0.137 1 244 25 25 LYS CE C 39.640 0.137 1 245 25 25 LYS N N 118.468 0.091 1 246 26 26 ALA H H 7.912 0.005 1 247 26 26 ALA HA H 4.099 0.005 1 248 26 26 ALA HB H 1.583 0.005 1 249 26 26 ALA CA C 52.471 0.137 1 250 26 26 ALA CB C 16.262 0.137 1 251 26 26 ALA N N 122.161 0.091 1 252 27 27 TYR H H 8.380 0.005 1 253 27 27 TYR HA H 3.802 0.005 1 254 27 27 TYR HB2 H 2.489 0.005 2 255 27 27 TYR HB3 H 2.363 0.005 2 256 27 27 TYR HD1 H 6.320 0.005 3 257 27 27 TYR HD2 H 6.320 0.005 3 258 27 27 TYR HE1 H 6.317 0.005 3 259 27 27 TYR HE2 H 6.317 0.005 3 260 27 27 TYR CA C 58.801 0.137 1 261 27 27 TYR CB C 36.304 0.137 1 262 27 27 TYR CD1 C 129.516 0.137 3 263 27 27 TYR CD2 C 129.520 0.137 3 264 27 27 TYR CE1 C 114.521 0.137 3 265 27 27 TYR CE2 C 114.520 0.137 3 266 27 27 TYR N N 117.724 0.091 1 267 28 28 ARG H H 8.241 0.005 1 268 28 28 ARG HA H 3.474 0.005 1 269 28 28 ARG HB2 H 1.745 0.005 2 270 28 28 ARG HB3 H 1.809 0.005 2 271 28 28 ARG HG2 H 1.744 0.005 2 272 28 28 ARG HG3 H 1.549 0.005 2 273 28 28 ARG HD2 H 3.071 0.005 2 274 28 28 ARG HD3 H 3.071 0.005 2 275 28 28 ARG CA C 56.617 0.137 1 276 28 28 ARG CB C 27.058 0.137 1 277 28 28 ARG CG C 25.128 0.137 1 278 28 28 ARG CD C 40.915 0.137 1 279 28 28 ARG N N 117.279 0.091 1 280 29 29 LYS H H 7.435 0.005 1 281 29 29 LYS HA H 3.899 0.005 1 282 29 29 LYS HB2 H 1.829 0.005 2 283 29 29 LYS HB3 H 1.829 0.005 2 284 29 29 LYS HG2 H 1.482 0.005 2 285 29 29 LYS HG3 H 1.482 0.005 2 286 29 29 LYS HD2 H 1.696 0.005 2 287 29 29 LYS HD3 H 1.806 0.005 2 288 29 29 LYS HE2 H 2.893 0.005 2 289 29 29 LYS HE3 H 2.893 0.005 2 290 29 29 LYS CA C 56.736 0.137 1 291 29 29 LYS CB C 29.937 0.137 1 292 29 29 LYS CG C 22.778 0.137 1 293 29 29 LYS CD C 27.212 0.137 1 294 29 29 LYS CE C 39.574 0.137 1 295 29 29 LYS N N 117.208 0.091 1 296 30 30 LEU H H 7.693 0.005 1 297 30 30 LEU HA H 4.000 0.005 1 298 30 30 LEU HB2 H 1.846 0.005 2 299 30 30 LEU HB3 H 1.464 0.005 2 300 30 30 LEU HG H 1.860 0.005 1 301 30 30 LEU HD1 H 0.985 0.005 2 302 30 30 LEU HD2 H 0.921 0.005 2 303 30 30 LEU CA C 54.748 0.137 1 304 30 30 LEU CB C 39.846 0.137 1 305 30 30 LEU CG C 30.186 0.137 1 306 30 30 LEU CD1 C 24.776 0.137 2 307 30 30 LEU CD2 C 20.467 0.137 2 308 30 30 LEU N N 119.982 0.091 1 309 31 31 ALA H H 8.858 0.005 1 310 31 31 ALA HA H 3.821 0.005 1 311 31 31 ALA HB H 0.948 0.005 1 312 31 31 ALA CA C 52.359 0.137 1 313 31 31 ALA CB C 14.583 0.137 1 314 31 31 ALA N N 122.483 0.091 1 315 32 32 LEU H H 7.094 0.005 1 316 32 32 LEU HA H 3.980 0.005 1 317 32 32 LEU HB2 H 1.659 0.005 2 318 32 32 LEU HB3 H 1.437 0.005 2 319 32 32 LEU HG H 1.661 0.005 1 320 32 32 LEU HD1 H 0.783 0.005 2 321 32 32 LEU HD2 H 0.749 0.005 2 322 32 32 LEU CA C 54.233 0.137 1 323 32 32 LEU CB C 39.599 0.137 1 324 32 32 LEU CG C 24.339 0.137 1 325 32 32 LEU CD1 C 24.214 0.137 2 326 32 32 LEU CD2 C 20.860 0.137 2 327 32 32 LEU N N 115.222 0.091 1 328 33 33 LYS H H 7.060 0.005 1 329 33 33 LYS HA H 3.900 0.005 1 330 33 33 LYS HB2 H 1.399 0.005 2 331 33 33 LYS HB3 H 1.284 0.005 2 332 33 33 LYS HG2 H 0.664 0.005 2 333 33 33 LYS HG3 H 1.058 0.005 2 334 33 33 LYS HE3 H 2.743 0.005 2 335 33 33 LYS CA C 55.142 0.137 1 336 33 33 LYS CB C 30.916 0.137 1 337 33 33 LYS CG C 22.152 0.137 1 338 33 33 LYS CE C 39.474 0.137 1 339 33 33 LYS N N 116.981 0.091 1 340 34 34 TYR H H 7.597 0.005 1 341 34 34 TYR HA H 4.612 0.005 1 342 34 34 TYR HB2 H 3.239 0.005 2 343 34 34 TYR HB3 H 2.485 0.005 2 344 34 34 TYR HD1 H 6.995 0.005 3 345 34 34 TYR HD2 H 6.995 0.005 3 346 34 34 TYR HE1 H 6.713 0.005 3 347 34 34 TYR HE2 H 6.713 0.005 3 348 34 34 TYR CA C 54.242 0.137 1 349 34 34 TYR CB C 37.084 0.137 1 350 34 34 TYR CD1 C 130.060 0.137 3 351 34 34 TYR CD2 C 130.063 0.137 3 352 34 34 TYR CE1 C 115.090 0.137 3 353 34 34 TYR CE2 C 115.093 0.137 3 354 34 34 TYR N N 114.312 0.091 1 355 35 35 HIS H H 7.975 0.005 1 356 35 35 HIS HA H 3.885 0.005 1 357 35 35 HIS HB2 H 3.123 0.005 2 358 35 35 HIS HB3 H 2.712 0.005 2 359 35 35 HIS HD2 H 6.930 0.005 1 360 35 35 HIS HE1 H 7.789 0.005 1 361 35 35 HIS CA C 52.948 0.137 1 362 35 35 HIS CB C 27.909 0.137 1 363 35 35 HIS CD2 C 116.035 0.137 1 364 35 35 HIS CE1 C 135.134 0.137 1 365 35 35 HIS N N 120.482 0.091 1 366 36 36 PRO HA H 4.117 0.005 1 367 36 36 PRO HB2 H 2.019 0.005 2 368 36 36 PRO HB3 H 1.744 0.005 2 369 36 36 PRO HG2 H 1.452 0.005 2 370 36 36 PRO HG3 H 1.539 0.005 2 371 36 36 PRO HD2 H 2.559 0.005 2 372 36 36 PRO HD3 H 2.167 0.005 2 373 36 36 PRO CA C 61.891 0.137 1 374 36 36 PRO CB C 29.520 0.137 1 375 36 36 PRO CG C 24.532 0.137 1 376 36 36 PRO CD C 47.484 0.137 1 377 37 37 ASP H H 9.770 0.005 1 378 37 37 ASP HA H 4.348 0.005 1 379 37 37 ASP HB2 H 2.566 0.005 2 380 37 37 ASP HB3 H 2.566 0.005 2 381 37 37 ASP CA C 53.106 0.137 1 382 37 37 ASP CB C 37.719 0.137 1 383 37 37 ASP N N 118.527 0.091 1 384 38 38 LYS H H 7.791 0.005 1 385 38 38 LYS HA H 4.283 0.005 1 386 38 38 LYS HB2 H 1.772 0.005 2 387 38 38 LYS HB3 H 1.667 0.005 2 388 38 38 LYS HG2 H 1.330 0.005 2 389 38 38 LYS HG3 H 1.248 0.005 2 390 38 38 LYS HD2 H 1.513 0.005 2 391 38 38 LYS HD3 H 1.513 0.005 2 392 38 38 LYS CA C 53.226 0.137 1 393 38 38 LYS CB C 31.080 0.137 1 394 38 38 LYS CG C 22.006 0.137 1 395 38 38 LYS CD C 25.908 0.137 1 396 38 38 LYS N N 117.586 0.091 1 397 39 39 ASN H H 7.916 0.005 1 398 39 39 ASN HA H 5.010 0.005 1 399 39 39 ASN HB2 H 2.602 0.005 2 400 39 39 ASN HB3 H 2.777 0.005 2 401 39 39 ASN HD21 H 7.194 0.005 2 402 39 39 ASN HD22 H 7.536 0.005 2 403 39 39 ASN CA C 47.845 0.137 1 404 39 39 ASN CB C 36.745 0.137 1 405 39 39 ASN N N 116.510 0.091 1 406 39 39 ASN ND2 N 112.935 0.091 1 407 40 40 PRO HA H 4.426 0.005 1 408 40 40 PRO HB2 H 2.320 0.005 2 409 40 40 PRO HB3 H 1.933 0.005 2 410 40 40 PRO HG2 H 1.976 0.005 2 411 40 40 PRO HG3 H 1.905 0.005 2 412 40 40 PRO HD2 H 3.735 0.005 2 413 40 40 PRO HD3 H 3.509 0.005 2 414 40 40 PRO CA C 61.798 0.137 1 415 40 40 PRO CB C 29.565 0.137 1 416 40 40 PRO CG C 24.463 0.137 1 417 40 40 PRO CD C 48.006 0.137 1 418 41 41 ASN H H 8.391 0.005 1 419 41 41 ASN HA H 4.729 0.005 1 420 41 41 ASN HB2 H 2.796 0.005 2 421 41 41 ASN HB3 H 2.880 0.005 2 422 41 41 ASN HD21 H 7.633 0.005 2 423 41 41 ASN HD22 H 6.980 0.005 2 424 41 41 ASN CA C 52.062 0.137 1 425 41 41 ASN CB C 36.392 0.137 1 426 41 41 ASN N N 115.783 0.091 1 427 41 41 ASN ND2 N 113.618 0.091 1 428 42 42 GLU H H 7.580 0.005 1 429 42 42 GLU HA H 4.698 0.005 1 430 42 42 GLU HB2 H 2.381 0.005 2 431 42 42 GLU HB3 H 1.820 0.005 2 432 42 42 GLU HG2 H 2.138 0.005 2 433 42 42 GLU HG3 H 2.366 0.005 2 434 42 42 GLU CA C 53.495 0.137 1 435 42 42 GLU CB C 26.836 0.137 1 436 42 42 GLU CG C 33.111 0.137 1 437 42 42 GLU N N 119.335 0.091 1 438 43 43 GLY H H 8.109 0.005 1 439 43 43 GLY HA2 H 3.804 0.005 2 440 43 43 GLY HA3 H 3.972 0.005 2 441 43 43 GLY CA C 45.288 0.137 1 442 43 43 GLY N N 107.551 0.091 1 443 44 44 GLU H H 8.443 0.005 1 444 44 44 GLU HA H 4.051 0.005 1 445 44 44 GLU HB2 H 1.967 0.005 2 446 44 44 GLU HB3 H 1.967 0.005 2 447 44 44 GLU HG2 H 2.210 0.005 2 448 44 44 GLU HG3 H 2.210 0.005 2 449 44 44 GLU CA C 56.566 0.137 1 450 44 44 GLU CB C 26.360 0.137 1 451 44 44 GLU CG C 33.612 0.137 1 452 44 44 GLU N N 121.709 0.091 1 453 45 45 LYS H H 7.839 0.005 1 454 45 45 LYS HA H 3.914 0.005 1 455 45 45 LYS HB2 H 1.255 0.005 2 456 45 45 LYS HB3 H 1.514 0.005 2 457 45 45 LYS HG2 H 1.159 0.005 2 458 45 45 LYS HG3 H 1.011 0.005 2 459 45 45 LYS HD2 H 1.293 0.005 2 460 45 45 LYS HD3 H 1.395 0.005 2 461 45 45 LYS HE2 H 2.747 0.005 2 462 45 45 LYS HE3 H 2.747 0.005 2 463 45 45 LYS CA C 55.930 0.137 1 464 45 45 LYS CB C 29.047 0.137 1 465 45 45 LYS CG C 22.339 0.137 1 466 45 45 LYS CD C 26.931 0.137 1 467 45 45 LYS CE C 39.468 0.137 1 468 45 45 LYS N N 120.647 0.091 1 469 46 46 PHE H H 8.346 0.005 1 470 46 46 PHE HA H 3.994 0.005 1 471 46 46 PHE HB2 H 3.185 0.005 2 472 46 46 PHE HB3 H 2.915 0.005 2 473 46 46 PHE HD1 H 6.998 0.005 3 474 46 46 PHE HD2 H 6.998 0.005 3 475 46 46 PHE HE1 H 7.132 0.005 3 476 46 46 PHE HE2 H 7.132 0.005 3 477 46 46 PHE HZ H 6.973 0.005 1 478 46 46 PHE CA C 59.107 0.137 1 479 46 46 PHE CB C 36.084 0.137 1 480 46 46 PHE CD1 C 130.084 0.137 3 481 46 46 PHE CD2 C 130.080 0.137 3 482 46 46 PHE CE1 C 128.409 0.137 3 483 46 46 PHE CE2 C 128.410 0.137 3 484 46 46 PHE CZ C 128.552 0.137 1 485 46 46 PHE N N 118.569 0.091 1 486 47 47 LYS H H 8.091 0.005 1 487 47 47 LYS HA H 3.811 0.005 1 488 47 47 LYS HB2 H 1.863 0.005 2 489 47 47 LYS HB3 H 1.863 0.005 2 490 47 47 LYS HG2 H 1.320 0.005 2 491 47 47 LYS HG3 H 1.530 0.005 2 492 47 47 LYS HE2 H 2.905 0.005 2 493 47 47 LYS CA C 57.143 0.137 1 494 47 47 LYS CB C 29.440 0.137 1 495 47 47 LYS CG C 22.618 0.137 1 496 47 47 LYS CE C 39.584 0.137 1 497 47 47 LYS N N 120.958 0.091 1 498 48 48 GLN H H 7.596 0.005 1 499 48 48 GLN HA H 3.986 0.005 1 500 48 48 GLN HB2 H 2.063 0.005 2 501 48 48 GLN HB3 H 2.123 0.005 2 502 48 48 GLN HG2 H 2.256 0.005 2 503 48 48 GLN HG3 H 2.497 0.005 2 504 48 48 GLN HE21 H 7.516 0.005 2 505 48 48 GLN HE22 H 6.743 0.005 2 506 48 48 GLN CA C 56.373 0.137 1 507 48 48 GLN CB C 25.927 0.137 1 508 48 48 GLN CG C 31.510 0.137 1 509 48 48 GLN N N 118.516 0.091 1 510 48 48 GLN NE2 N 111.511 0.091 1 511 49 49 ILE H H 7.939 0.005 1 512 49 49 ILE HA H 3.528 0.005 1 513 49 49 ILE HB H 1.635 0.005 1 514 49 49 ILE HG12 H 1.578 0.005 2 515 49 49 ILE HG13 H 1.107 0.005 2 516 49 49 ILE HG2 H 0.849 0.005 1 517 49 49 ILE HD1 H 0.718 0.005 1 518 49 49 ILE CA C 62.328 0.137 1 519 49 49 ILE CB C 35.884 0.137 1 520 49 49 ILE CG1 C 26.275 0.137 1 521 49 49 ILE CG2 C 15.687 0.137 1 522 49 49 ILE CD1 C 13.203 0.137 1 523 49 49 ILE N N 118.711 0.091 1 524 50 50 SER H H 8.020 0.005 1 525 50 50 SER HA H 3.922 0.005 1 526 50 50 SER HB2 H 3.659 0.005 2 527 50 50 SER HB3 H 3.578 0.005 2 528 50 50 SER CA C 59.491 0.137 1 529 50 50 SER CB C 59.808 0.137 1 530 50 50 SER N N 116.047 0.091 1 531 51 51 GLN H H 7.923 0.005 1 532 51 51 GLN HA H 3.777 0.005 1 533 51 51 GLN HB2 H 1.951 0.005 2 534 51 51 GLN HB3 H 1.794 0.005 2 535 51 51 GLN HG2 H 2.038 0.005 2 536 51 51 GLN HG3 H 2.171 0.005 2 537 51 51 GLN HE21 H 6.732 0.005 2 538 51 51 GLN HE22 H 7.237 0.005 2 539 51 51 GLN CA C 55.978 0.137 1 540 51 51 GLN CB C 25.891 0.137 1 541 51 51 GLN CG C 31.141 0.137 1 542 51 51 GLN N N 122.129 0.091 1 543 51 51 GLN NE2 N 111.292 0.091 1 544 52 52 ALA H H 7.321 0.005 1 545 52 52 ALA HA H 2.614 0.005 1 546 52 52 ALA HB H 1.137 0.005 1 547 52 52 ALA CA C 51.441 0.137 1 548 52 52 ALA CB C 15.853 0.137 1 549 52 52 ALA N N 119.308 0.091 1 550 53 53 TYR H H 7.986 0.005 1 551 53 53 TYR HA H 3.610 0.005 1 552 53 53 TYR HB2 H 2.287 0.005 2 553 53 53 TYR HB3 H 2.607 0.005 2 554 53 53 TYR HD1 H 6.303 0.005 3 555 53 53 TYR HD2 H 6.303 0.005 3 556 53 53 TYR HE1 H 6.303 0.005 3 557 53 53 TYR HE2 H 6.303 0.005 3 558 53 53 TYR CA C 59.020 0.137 1 559 53 53 TYR CB C 36.715 0.137 1 560 53 53 TYR CD1 C 129.219 0.137 3 561 53 53 TYR CD2 C 129.220 0.137 3 562 53 53 TYR CE1 C 115.116 0.137 3 563 53 53 TYR CE2 C 115.120 0.137 3 564 53 53 TYR N N 115.555 0.091 1 565 54 54 GLU H H 8.151 0.005 1 566 54 54 GLU HA H 3.324 0.005 1 567 54 54 GLU HB2 H 1.886 0.005 2 568 54 54 GLU HB3 H 1.828 0.005 2 569 54 54 GLU HG2 H 2.000 0.005 2 570 54 54 GLU HG3 H 2.161 0.005 2 571 54 54 GLU CA C 56.871 0.137 1 572 54 54 GLU CB C 26.479 0.137 1 573 54 54 GLU CG C 33.697 0.137 1 574 54 54 GLU N N 121.368 0.091 1 575 55 55 VAL H H 6.804 0.005 1 576 55 55 VAL HA H 3.358 0.005 1 577 55 55 VAL HB H 1.348 0.005 1 578 55 55 VAL HG1 H 0.512 0.005 2 579 55 55 VAL HG2 H 0.793 0.005 2 580 55 55 VAL CA C 63.088 0.137 1 581 55 55 VAL CB C 29.367 0.137 1 582 55 55 VAL CG1 C 18.341 0.137 2 583 55 55 VAL CG2 C 20.363 0.137 2 584 55 55 VAL N N 115.901 0.091 1 585 56 56 LEU H H 7.419 0.005 1 586 56 56 LEU HA H 3.551 0.005 1 587 56 56 LEU HB2 H 1.047 0.005 2 588 56 56 LEU HB3 H 1.261 0.005 2 589 56 56 LEU HG H 1.414 0.005 1 590 56 56 LEU HD1 H 0.017 0.005 2 591 56 56 LEU HD2 H 0.267 0.005 2 592 56 56 LEU CA C 53.895 0.137 1 593 56 56 LEU CB C 40.086 0.137 1 594 56 56 LEU CG C 22.997 0.137 1 595 56 56 LEU CD1 C 23.299 0.137 2 596 56 56 LEU CD2 C 20.025 0.137 2 597 56 56 LEU N N 111.319 0.091 1 598 57 57 SER H H 7.688 0.005 1 599 57 57 SER HA H 4.028 0.005 1 600 57 57 SER HB2 H 3.404 0.005 2 601 57 57 SER HB3 H 2.541 0.005 2 602 57 57 SER CA C 56.549 0.137 1 603 57 57 SER CB C 60.356 0.137 1 604 57 57 SER N N 108.463 0.091 1 605 58 58 ASP H H 6.864 0.005 1 606 58 58 ASP HA H 4.650 0.005 1 607 58 58 ASP HB2 H 2.809 0.005 2 608 58 58 ASP HB3 H 2.382 0.005 2 609 58 58 ASP CA C 49.698 0.137 1 610 58 58 ASP CB C 40.799 0.137 1 611 58 58 ASP N N 124.374 0.091 1 612 59 59 ALA H H 8.701 0.005 1 613 59 59 ALA HA H 3.832 0.005 1 614 59 59 ALA HB H 1.379 0.005 1 615 59 59 ALA CA C 53.276 0.137 1 616 59 59 ALA CB C 16.084 0.137 1 617 59 59 ALA N N 127.320 0.091 1 618 60 60 LYS H H 7.929 0.005 1 619 60 60 LYS HA H 4.153 0.005 1 620 60 60 LYS HB2 H 1.813 0.005 2 621 60 60 LYS HB3 H 1.872 0.005 2 622 60 60 LYS HG2 H 1.375 0.005 2 623 60 60 LYS HG3 H 1.450 0.005 2 624 60 60 LYS HD2 H 1.632 0.005 2 625 60 60 LYS HD3 H 1.632 0.005 2 626 60 60 LYS HE2 H 2.901 0.005 2 627 60 60 LYS HE3 H 2.901 0.005 2 628 60 60 LYS CA C 55.928 0.137 1 629 60 60 LYS CB C 29.180 0.137 1 630 60 60 LYS CG C 22.372 0.137 1 631 60 60 LYS CD C 26.121 0.137 1 632 60 60 LYS CE C 39.621 0.137 1 633 60 60 LYS N N 117.035 0.091 1 634 61 61 LYS H H 8.199 0.005 1 635 61 61 LYS HA H 3.940 0.005 1 636 61 61 LYS HB2 H 2.347 0.005 2 637 61 61 LYS HB3 H 1.780 0.005 2 638 61 61 LYS HG2 H 1.287 0.005 2 639 61 61 LYS HG3 H 1.475 0.005 2 640 61 61 LYS HE2 H 2.380 0.005 2 641 61 61 LYS HE3 H 2.810 0.005 2 642 61 61 LYS CA C 57.395 0.137 1 643 61 61 LYS CB C 30.091 0.137 1 644 61 61 LYS CG C 24.007 0.137 1 645 61 61 LYS CE C 40.772 0.137 1 646 61 61 LYS N N 121.368 0.091 1 647 62 62 ARG H H 9.319 0.005 1 648 62 62 ARG HA H 3.654 0.005 1 649 62 62 ARG HB2 H 1.696 0.005 2 650 62 62 ARG HB3 H 2.140 0.005 2 651 62 62 ARG HG2 H 1.697 0.005 2 652 62 62 ARG HG3 H 1.816 0.005 2 653 62 62 ARG HD2 H 3.097 0.005 2 654 62 62 ARG HD3 H 3.517 0.005 2 655 62 62 ARG HE H 7.874 0.005 1 656 62 62 ARG CA C 57.517 0.137 1 657 62 62 ARG CB C 27.137 0.137 1 658 62 62 ARG CG C 24.055 0.137 1 659 62 62 ARG CD C 41.336 0.137 1 660 62 62 ARG N N 122.685 0.091 1 661 62 62 ARG NE N 86.850 0.091 1 662 63 63 GLU H H 7.560 0.005 1 663 63 63 GLU HA H 4.081 0.005 1 664 63 63 GLU HB2 H 2.125 0.005 2 665 63 63 GLU HB3 H 2.363 0.005 2 666 63 63 GLU CA C 56.801 0.137 1 667 63 63 GLU CB C 27.009 0.137 1 668 63 63 GLU N N 118.399 0.091 1 669 64 64 LEU H H 7.415 0.005 1 670 64 64 LEU HA H 3.991 0.005 1 671 64 64 LEU HB2 H 1.547 0.005 2 672 64 64 LEU HB3 H 1.777 0.005 2 673 64 64 LEU HG H 1.694 0.005 1 674 64 64 LEU HD2 H 0.805 0.005 2 675 64 64 LEU CA C 55.055 0.137 1 676 64 64 LEU CB C 39.225 0.137 1 677 64 64 LEU CG C 24.389 0.137 1 678 64 64 LEU CD2 C 20.925 0.137 2 679 64 64 LEU N N 118.074 0.091 1 680 65 65 TYR H H 8.382 0.005 1 681 65 65 TYR HA H 4.079 0.005 1 682 65 65 TYR HB2 H 3.060 0.005 2 683 65 65 TYR HB3 H 2.982 0.005 2 684 65 65 TYR HD1 H 7.050 0.005 3 685 65 65 TYR HD2 H 7.050 0.005 3 686 65 65 TYR HE1 H 6.403 0.005 3 687 65 65 TYR HE2 H 6.403 0.005 3 688 65 65 TYR CA C 58.905 0.137 1 689 65 65 TYR CB C 36.148 0.137 1 690 65 65 TYR CD1 C 130.640 0.137 3 691 65 65 TYR CD2 C 130.338 0.137 3 692 65 65 TYR CE1 C 115.960 0.137 3 693 65 65 TYR CE2 C 115.961 0.137 3 694 65 65 TYR N N 122.761 0.091 1 695 66 66 ASP H H 9.010 0.005 1 696 66 66 ASP HA H 4.412 0.005 1 697 66 66 ASP HB2 H 2.764 0.005 2 698 66 66 ASP HB3 H 2.645 0.005 2 699 66 66 ASP CA C 53.927 0.137 1 700 66 66 ASP CB C 37.777 0.137 1 701 66 66 ASP N N 120.746 0.091 1 702 67 67 LYS H H 7.640 0.005 1 703 67 67 LYS HA H 4.198 0.005 1 704 67 67 LYS HB2 H 1.858 0.005 2 705 67 67 LYS HB3 H 1.858 0.005 2 706 67 67 LYS HG2 H 1.544 0.005 2 707 67 67 LYS HG3 H 1.450 0.005 2 708 67 67 LYS HD2 H 1.851 0.005 2 709 67 67 LYS HD3 H 1.851 0.005 2 710 67 67 LYS HE2 H 2.907 0.005 2 711 67 67 LYS HE3 H 2.907 0.005 2 712 67 67 LYS CA C 54.612 0.137 1 713 67 67 LYS CB C 30.362 0.137 1 714 67 67 LYS CG C 22.711 0.137 1 715 67 67 LYS CD C 30.449 0.137 1 716 67 67 LYS CE C 39.558 0.137 1 717 67 67 LYS N N 117.724 0.091 1 718 68 68 GLY H H 7.733 0.005 1 719 68 68 GLY HA2 H 3.891 0.005 2 720 68 68 GLY HA3 H 3.891 0.005 2 721 68 68 GLY CA C 43.056 0.137 1 722 68 68 GLY N N 107.203 0.091 1 723 69 69 GLY H H 8.229 0.005 1 724 69 69 GLY HA2 H 3.769 0.005 2 725 69 69 GLY HA3 H 3.819 0.005 2 726 69 69 GLY CA C 42.278 0.137 1 727 69 69 GLY N N 108.442 0.091 1 728 70 70 GLU H H 8.100 0.005 1 729 70 70 GLU HA H 4.209 0.005 1 730 70 70 GLU HB2 H 1.998 0.005 2 731 70 70 GLU HB3 H 1.852 0.005 2 732 70 70 GLU HG2 H 2.221 0.005 2 733 70 70 GLU HG3 H 2.221 0.005 2 734 70 70 GLU CA C 53.932 0.137 1 735 70 70 GLU CB C 27.803 0.137 1 736 70 70 GLU CG C 33.709 0.137 1 737 70 70 GLU N N 120.450 0.091 1 738 71 71 GLN H H 7.968 0.005 1 739 71 71 GLN HA H 4.063 0.005 1 740 71 71 GLN HB2 H 1.823 0.005 2 741 71 71 GLN HB3 H 1.823 0.005 2 742 71 71 GLN HG2 H 2.206 0.005 2 743 71 71 GLN HG3 H 2.206 0.005 2 744 71 71 GLN HE21 H 7.406 0.005 2 745 71 71 GLN HE22 H 6.683 0.005 2 746 71 71 GLN CA C 54.630 0.137 1 747 71 71 GLN CB C 30.111 0.137 1 748 71 71 GLN CG C 31.618 0.137 1 749 71 71 GLN N N 126.309 0.091 1 750 71 71 GLN NE2 N 112.377 0.091 1 stop_ save_