data_11456 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal dsRBD from RNA helicase A ; _BMRB_accession_number 11456 _BMRB_flat_file_name bmr11456.str _Entry_type original _Submission_date 2011-11-29 _Accession_date 2011-11-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; double-stranded RNA binding domain, dsRBD, DSRM, RIKEN Structural Genomics/Proteomics Initiative, RSGI, Structural Genomics, RNA BINDING PROTEIN. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nagata Takashi . . 2 Muto Yutaka . . 3 Tsuda Kengo . . 4 Inoue Makoto . . 5 Kigawa Takanori . . 6 Terada Takaho . . 7 Shirouzu Mikako . . 8 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 536 "13C chemical shifts" 384 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-29 original author . stop_ _Original_release_date 2012-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the double-stranded RNA-binding domains from RNA helicase A' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22454253 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nagata Takashi . . 2 Tsuda Kengo . . 3 Kobayashi Naohiro . . 4 Shirouzu Mikako . . 5 Kigawa Takanori . . 6 Guntert Peter . . 7 Yokoyama Shigeyuki . . 8 Muto Yutaka . . stop_ _Journal_abbreviation Proteins _Journal_volume 80 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1699 _Page_last 1706 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure of the N-terminal dsRBD from RNA helicase A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA helicase A' $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 10733.203 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GSSGSSGIKNFLYAWCGKRK MTPAYEIRAVGNKNRQKFMC EVRVEGFNYAGMGNSTNKKD AQSNAARDFVNYLVRINEVK SEEVPAVGIVPPPSGPSSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 SER 4 0 GLY 5 1 SER 6 2 SER 7 3 GLY 8 4 ILE 9 5 LYS 10 6 ASN 11 7 PHE 12 8 LEU 13 9 TYR 14 10 ALA 15 11 TRP 16 12 CYS 17 13 GLY 18 14 LYS 19 15 ARG 20 16 LYS 21 17 MET 22 18 THR 23 19 PRO 24 20 ALA 25 21 TYR 26 22 GLU 27 23 ILE 28 24 ARG 29 25 ALA 30 26 VAL 31 27 GLY 32 28 ASN 33 29 LYS 34 30 ASN 35 31 ARG 36 32 GLN 37 33 LYS 38 34 PHE 39 35 MET 40 36 CYS 41 37 GLU 42 38 VAL 43 39 ARG 44 40 VAL 45 41 GLU 46 42 GLY 47 43 PHE 48 44 ASN 49 45 TYR 50 46 ALA 51 47 GLY 52 48 MET 53 49 GLY 54 50 ASN 55 51 SER 56 52 THR 57 53 ASN 58 54 LYS 59 55 LYS 60 56 ASP 61 57 ALA 62 58 GLN 63 59 SER 64 60 ASN 65 61 ALA 66 62 ALA 67 63 ARG 68 64 ASP 69 65 PHE 70 66 VAL 71 67 ASN 72 68 TYR 73 69 LEU 74 70 VAL 75 71 ARG 76 72 ILE 77 73 ASN 78 74 GLU 79 75 VAL 80 76 LYS 81 77 SER 82 78 GLU 83 79 GLU 84 80 VAL 85 81 PRO 86 82 ALA 87 83 VAL 88 84 GLY 89 85 ILE 90 86 VAL 91 87 PRO 92 88 PRO 93 89 PRO 94 90 SER 95 91 GLY 96 92 PRO 97 93 SER 98 94 SER 99 95 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 PDB 1WHQ "Solution Structure Of The N-Terminal Dsrbd From Hypothetical Protein Bab28848" 100.00 99 100.00 100.00 7.66e-65 PDB 2RS6 "Solution Structure Of The N-terminal Dsrbd From Rna Helicase A" 100.00 99 100.00 100.00 7.66e-65 DBJ BAB28848 "unnamed protein product [Mus musculus]" 86.87 265 100.00 100.00 4.37e-55 DBJ BAE24846 "unnamed protein product [Mus musculus]" 86.87 735 100.00 100.00 9.48e-52 DBJ BAE41336 "unnamed protein product [Mus musculus]" 55.56 132 100.00 100.00 3.55e-30 GB AAC05301 "RNA helicase A [Mus musculus]" 86.87 161 100.00 100.00 1.04e-55 GB AAC05725 "RNA helicase A [Mus musculus]" 86.87 1380 98.84 98.84 1.88e-49 GB AAH33911 "Dhx9 protein, partial [Mus musculus]" 86.87 198 100.00 100.00 1.42e-55 GB AAH89159 "Dhx9 protein [Mus musculus]" 86.87 459 100.00 100.00 3.78e-53 GB AAI69284 "DEAH (Asp-Glu-Ala-His) box polypeptide 9 [synthetic construct]" 86.87 413 100.00 100.00 1.18e-53 REF NP_001100654 "ATP-dependent RNA helicase A [Rattus norvegicus]" 86.87 1174 100.00 100.00 6.86e-51 REF NP_031868 "ATP-dependent RNA helicase A [Mus musculus]" 86.87 1383 100.00 100.00 2.54e-50 REF XP_005363931 "PREDICTED: ATP-dependent RNA helicase A isoform X1 [Microtus ochrogaster]" 86.87 1385 100.00 100.00 2.67e-50 REF XP_005363932 "PREDICTED: ATP-dependent RNA helicase A isoform X2 [Microtus ochrogaster]" 86.87 1384 100.00 100.00 2.75e-50 REF XP_006250057 "PREDICTED: ATP-dependent RNA helicase A isoform X1 [Rattus norvegicus]" 86.87 1392 100.00 100.00 2.26e-50 SP O70133 "RecName: Full=ATP-dependent RNA helicase A; Short=RHA; AltName: Full=DEAH box protein 9; Short=mHEL-5; AltName: Full=Nuclear DN" 86.87 1380 100.00 100.00 2.53e-50 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 Mouse 10090 Eukaryota Metazoa Mus musculus 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' 'E. coli' Eschrichia Coli . 'not applicable' 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 1.3 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 120 . 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 water C 13 protons ppm 0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.784 internal indirect . . . 1.0 water N 15 protons ppm 0 internal 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 '3D 1H-13C NOESY' '3D 1H-15N NOESY' 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 'RNA helicase A' _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 SER H H 8.519 0.03 1 2 -2 2 SER N N 116.334 0.3 1 3 -1 3 SER H H 8.378 0.03 1 4 -1 3 SER HA H 4.465 0.03 1 5 -1 3 SER HB2 H 3.875 0.03 1 6 -1 3 SER HB3 H 3.875 0.03 1 7 -1 3 SER C C 175.126 0.3 1 8 -1 3 SER CA C 58.57 0.3 1 9 -1 3 SER CB C 63.818 0.3 1 10 -1 3 SER N N 115.959 0.3 1 11 0 4 GLY H H 8.522 0.03 1 12 0 4 GLY HA2 H 4.012 0.03 1 13 0 4 GLY HA3 H 4.012 0.03 1 14 0 4 GLY C C 174.387 0.3 1 15 0 4 GLY CA C 45.558 0.3 1 16 0 4 GLY N N 110.928 0.3 1 17 1 5 SER H H 8.288 0.03 1 18 1 5 SER HA H 4.481 0.03 1 19 1 5 SER HB2 H 3.873 0.03 1 20 1 5 SER HB3 H 3.873 0.03 1 21 1 5 SER C C 174.855 0.3 1 22 1 5 SER CA C 58.456 0.3 1 23 1 5 SER CB C 63.967 0.3 1 24 1 5 SER N N 115.769 0.3 1 25 2 6 SER H H 8.437 0.03 1 26 2 6 SER HA H 4.567 0.03 1 27 2 6 SER HB2 H 3.894 0.03 1 28 2 6 SER HB3 H 3.894 0.03 1 29 2 6 SER C C 175.151 0.3 1 30 2 6 SER CA C 58.356 0.3 1 31 2 6 SER CB C 64.043 0.3 1 32 2 6 SER N N 117.917 0.3 1 33 3 7 GLY H H 8.573 0.03 1 34 3 7 GLY HA2 H 4.193 0.03 2 35 3 7 GLY HA3 H 4.077 0.03 2 36 3 7 GLY C C 176.424 0.3 1 37 3 7 GLY CA C 46.268 0.3 1 38 3 7 GLY N N 110.928 0.3 1 39 4 8 ILE H H 8.603 0.03 1 40 4 8 ILE HA H 4.277 0.03 1 41 4 8 ILE HB H 1.951 0.03 1 42 4 8 ILE HG12 H 1.166 0.03 2 43 4 8 ILE HG13 H 1.383 0.03 2 44 4 8 ILE HG2 H 1.16 0.03 1 45 4 8 ILE HD1 H 0.915 0.03 1 46 4 8 ILE C C 175.95 0.3 1 47 4 8 ILE CA C 61.215 0.3 1 48 4 8 ILE CB C 38.761 0.3 1 49 4 8 ILE CG1 C 29.033 0.3 1 50 4 8 ILE CG2 C 20.26 0.3 1 51 4 8 ILE CD1 C 14.717 0.3 1 52 4 8 ILE N N 123.206 0.3 1 53 5 9 LYS H H 8.151 0.03 1 54 5 9 LYS HA H 3.935 0.03 1 55 5 9 LYS HB2 H 1.723 0.03 2 56 5 9 LYS HB3 H 1.868 0.03 2 57 5 9 LYS HG2 H 1.584 0.03 2 58 5 9 LYS HG3 H 1.402 0.03 2 59 5 9 LYS HD2 H 1.441 0.03 1 60 5 9 LYS HD3 H 1.441 0.03 1 61 5 9 LYS HE2 H 2.541 0.03 2 62 5 9 LYS HE3 H 2.708 0.03 2 63 5 9 LYS C C 179.959 0.3 1 64 5 9 LYS CA C 60.615 0.3 1 65 5 9 LYS CB C 31.911 0.3 1 66 5 9 LYS CG C 25.623 0.3 1 67 5 9 LYS CD C 29.575 0.3 1 68 5 9 LYS CE C 41.432 0.3 1 69 5 9 LYS N N 124.032 0.3 1 70 6 10 ASN H H 8.417 0.03 1 71 6 10 ASN HA H 4.608 0.03 1 72 6 10 ASN HB2 H 2.914 0.03 1 73 6 10 ASN HB3 H 2.914 0.03 1 74 6 10 ASN HD21 H 7.763 0.03 2 75 6 10 ASN HD22 H 7.019 0.03 2 76 6 10 ASN C C 177.629 0.3 1 77 6 10 ASN CA C 56.14 0.3 1 78 6 10 ASN CB C 37.66 0.3 1 79 6 10 ASN N N 120.234 0.3 1 80 6 10 ASN ND2 N 112.678 0.3 1 81 7 11 PHE H H 8.474 0.03 1 82 7 11 PHE HA H 4.372 0.03 1 83 7 11 PHE HB2 H 3.283 0.03 2 84 7 11 PHE HB3 H 3.38 0.03 2 85 7 11 PHE HD1 H 7.217 0.03 1 86 7 11 PHE HD2 H 7.217 0.03 1 87 7 11 PHE HE1 H 7.177 0.03 1 88 7 11 PHE HE2 H 7.177 0.03 1 89 7 11 PHE HZ H 7.132 0.03 1 90 7 11 PHE C C 177.052 0.3 1 91 7 11 PHE CA C 61.754 0.3 1 92 7 11 PHE CB C 39.178 0.3 1 93 7 11 PHE CD1 C 131.556 0.3 1 94 7 11 PHE CD2 C 131.556 0.3 1 95 7 11 PHE CE1 C 131.619 0.3 1 96 7 11 PHE CE2 C 131.619 0.3 1 97 7 11 PHE CZ C 130.063 0.3 1 98 7 11 PHE N N 122.051 0.3 1 99 8 12 LEU H H 8.287 0.03 1 100 8 12 LEU HA H 4.077 0.03 1 101 8 12 LEU HB2 H 1.455 0.03 2 102 8 12 LEU HB3 H 2.119 0.03 2 103 8 12 LEU HG H 1.569 0.03 1 104 8 12 LEU HD1 H 1.011 0.03 1 105 8 12 LEU HD2 H 0.904 0.03 1 106 8 12 LEU C C 178.4 0.3 1 107 8 12 LEU CA C 57.843 0.3 1 108 8 12 LEU CB C 41.265 0.3 1 109 8 12 LEU CG C 27.599 0.3 1 110 8 12 LEU CD1 C 23.826 0.3 2 111 8 12 LEU CD2 C 25.623 0.3 2 112 8 12 LEU N N 120.028 0.3 1 113 9 13 TYR H H 8.269 0.03 1 114 9 13 TYR HA H 3.921 0.03 1 115 9 13 TYR HB2 H 3.245 0.03 2 116 9 13 TYR HB3 H 3.33 0.03 2 117 9 13 TYR HD1 H 7.2 0.03 1 118 9 13 TYR HD2 H 7.2 0.03 1 119 9 13 TYR HE1 H 6.89 0.03 1 120 9 13 TYR HE2 H 6.89 0.03 1 121 9 13 TYR C C 178.608 0.3 1 122 9 13 TYR CA C 63.011 0.3 1 123 9 13 TYR CB C 38.401 0.3 1 124 9 13 TYR CD1 C 133.25 0.3 1 125 9 13 TYR CD2 C 133.25 0.3 1 126 9 13 TYR CE1 C 118.473 0.3 1 127 9 13 TYR CE2 C 118.473 0.3 1 128 9 13 TYR N N 120.083 0.3 1 129 10 14 ALA H H 8.411 0.03 1 130 10 14 ALA HA H 4.13 0.03 1 131 10 14 ALA HB H 1.527 0.03 1 132 10 14 ALA C C 180.045 0.3 1 133 10 14 ALA CA C 54.928 0.3 1 134 10 14 ALA CB C 18.086 0.3 1 135 10 14 ALA N N 123.16 0.3 1 136 11 15 TRP H H 8.695 0.03 1 137 11 15 TRP HA H 3.716 0.03 1 138 11 15 TRP HB2 H 2.569 0.03 2 139 11 15 TRP HB3 H 3.11 0.03 2 140 11 15 TRP HD1 H 7.226 0.03 1 141 11 15 TRP HE1 H 9.998 0.03 1 142 11 15 TRP HE3 H 7.669 0.03 1 143 11 15 TRP HZ2 H 7.439 0.03 1 144 11 15 TRP HZ3 H 6.841 0.03 1 145 11 15 TRP HH2 H 7.029 0.03 1 146 11 15 TRP C C 179.816 0.3 1 147 11 15 TRP CA C 63.011 0.3 1 148 11 15 TRP CB C 29.109 0.3 1 149 11 15 TRP CD1 C 126.768 0.3 1 150 11 15 TRP CE3 C 121.03 0.3 1 151 11 15 TRP CZ2 C 114.476 0.3 1 152 11 15 TRP CZ3 C 120.988 0.3 1 153 11 15 TRP CH2 C 124.449 0.3 1 154 11 15 TRP N N 122.449 0.3 1 155 11 15 TRP NE1 N 129.868 0.3 1 156 12 16 CYS H H 8.585 0.03 1 157 12 16 CYS HA H 3.726 0.03 1 158 12 16 CYS HB2 H 2.633 0.03 2 159 12 16 CYS HB3 H 2.918 0.03 2 160 12 16 CYS C C 177.904 0.3 1 161 12 16 CYS CA C 64.293 0.3 1 162 12 16 CYS CB C 26.528 0.3 1 163 12 16 CYS N N 116.077 0.3 1 164 13 17 GLY H H 8.409 0.03 1 165 13 17 GLY HA2 H 3.871 0.03 1 166 13 17 GLY HA3 H 3.871 0.03 1 167 13 17 GLY C C 177.605 0.3 1 168 13 17 GLY CA C 47.337 0.3 1 169 13 17 GLY N N 109.522 0.3 1 170 14 18 LYS H H 7.431 0.03 1 171 14 18 LYS HA H 4.057 0.03 1 172 14 18 LYS HB2 H 1.694 0.03 2 173 14 18 LYS HB3 H 1.743 0.03 2 174 14 18 LYS HG2 H 1.417 0.03 2 175 14 18 LYS HG3 H 1.526 0.03 2 176 14 18 LYS HD2 H 1.665 0.03 1 177 14 18 LYS HD3 H 1.665 0.03 1 178 14 18 LYS HE2 H 2.985 0.03 1 179 14 18 LYS HE3 H 2.985 0.03 1 180 14 18 LYS C C 177.264 0.3 1 181 14 18 LYS CA C 58.651 0.3 1 182 14 18 LYS CB C 32.233 0.3 1 183 14 18 LYS CG C 25.263 0.3 1 184 14 18 LYS CD C 28.94 0.3 1 185 14 18 LYS CE C 42.026 0.3 1 186 14 18 LYS N N 121.93 0.3 1 187 15 19 ARG H H 7.124 0.03 1 188 15 19 ARG HA H 4.279 0.03 1 189 15 19 ARG HB2 H 1.315 0.03 2 190 15 19 ARG HB3 H 1.993 0.03 2 191 15 19 ARG HG2 H 1.123 0.03 2 192 15 19 ARG HG3 H 1.229 0.03 2 193 15 19 ARG HD2 H 2.533 0.03 2 194 15 19 ARG HD3 H 2.02 0.03 2 195 15 19 ARG HE H 6.821 0.03 1 196 15 19 ARG C C 174.248 0.3 1 197 15 19 ARG CA C 54.906 0.3 1 198 15 19 ARG CB C 30.121 0.3 1 199 15 19 ARG CG C 26.871 0.3 1 200 15 19 ARG CD C 42.713 0.3 1 201 15 19 ARG N N 117.085 0.3 1 202 15 19 ARG NE N 86.147 0.3 1 203 16 20 LYS H H 7.713 0.03 1 204 16 20 LYS HA H 3.867 0.03 1 205 16 20 LYS HB2 H 1.932 0.03 2 206 16 20 LYS HB3 H 2.017 0.03 2 207 16 20 LYS HG2 H 1.311 0.03 2 208 16 20 LYS HG3 H 1.289 0.03 2 209 16 20 LYS HD2 H 1.615 0.03 1 210 16 20 LYS HD3 H 1.615 0.03 1 211 16 20 LYS HE2 H 2.96 0.03 1 212 16 20 LYS HE3 H 2.96 0.03 1 213 16 20 LYS C C 175.038 0.3 1 214 16 20 LYS CA C 57.242 0.3 1 215 16 20 LYS CB C 28.709 0.3 1 216 16 20 LYS CG C 25.263 0.3 1 217 16 20 LYS CD C 28.721 0.3 1 218 16 20 LYS CE C 42.173 0.3 1 219 16 20 LYS N N 113.923 0.3 1 220 17 21 MET H H 7.822 0.03 1 221 17 21 MET HA H 4.828 0.03 1 222 17 21 MET HB2 H 1.663 0.03 2 223 17 21 MET HB3 H 2.03 0.03 2 224 17 21 MET HG2 H 2.458 0.03 2 225 17 21 MET HG3 H 2.493 0.03 2 226 17 21 MET HE H 2.139 0.03 1 227 17 21 MET C C 175.375 0.3 1 228 17 21 MET CA C 54.306 0.3 1 229 17 21 MET CB C 36.373 0.3 1 230 17 21 MET CG C 31.718 0.3 1 231 17 21 MET CE C 18.324 0.3 1 232 17 21 MET N N 116.397 0.3 1 233 18 22 THR H H 8.486 0.03 1 234 18 22 THR HA H 4.758 0.03 1 235 18 22 THR HB H 3.979 0.03 1 236 18 22 THR HG2 H 1.275 0.03 1 237 18 22 THR C C 171.886 0.3 1 238 18 22 THR CA C 59.037 0.3 1 239 18 22 THR CB C 71.738 0.3 1 240 18 22 THR CG2 C 21.073 0.3 1 241 18 22 THR N N 115.225 0.3 1 242 19 23 PRO HA H 4.535 0.03 1 243 19 23 PRO HB2 H 1.63 0.03 2 244 19 23 PRO HB3 H 1.445 0.03 2 245 19 23 PRO HG2 H 2.059 0.03 2 246 19 23 PRO HG3 H 2.308 0.03 2 247 19 23 PRO HD2 H 3.675 0.03 2 248 19 23 PRO HD3 H 4.012 0.03 2 249 19 23 PRO C C 174.622 0.3 1 250 19 23 PRO CA C 62.229 0.3 1 251 19 23 PRO CB C 31.639 0.3 1 252 19 23 PRO CG C 27.445 0.3 1 253 19 23 PRO CD C 50.617 0.3 1 254 20 24 ALA H H 8.798 0.03 1 255 20 24 ALA HA H 4.78 0.03 1 256 20 24 ALA HB H 1.314 0.03 1 257 20 24 ALA C C 175.927 0.3 1 258 20 24 ALA CA C 50.862 0.3 1 259 20 24 ALA CB C 20.549 0.3 1 260 20 24 ALA N N 126.358 0.3 1 261 21 25 TYR H H 8.904 0.03 1 262 21 25 TYR HA H 5.076 0.03 1 263 21 25 TYR HB2 H 2.447 0.03 2 264 21 25 TYR HB3 H 2.91 0.03 2 265 21 25 TYR HD1 H 7.003 0.03 1 266 21 25 TYR HD2 H 7.003 0.03 1 267 21 25 TYR HE1 H 6.655 0.03 1 268 21 25 TYR HE2 H 6.655 0.03 1 269 21 25 TYR C C 176.04 0.3 1 270 21 25 TYR CA C 57.781 0.3 1 271 21 25 TYR CB C 40.893 0.3 1 272 21 25 TYR CD1 C 133.436 0.3 1 273 21 25 TYR CD2 C 133.436 0.3 1 274 21 25 TYR CE1 C 117.567 0.3 1 275 21 25 TYR CE2 C 117.567 0.3 1 276 21 25 TYR N N 122.86 0.3 1 277 22 26 GLU H H 9.181 0.03 1 278 22 26 GLU HA H 4.737 0.03 1 279 22 26 GLU HB2 H 1.906 0.03 2 280 22 26 GLU HB3 H 2.019 0.03 2 281 22 26 GLU HG2 H 2.137 0.03 2 282 22 26 GLU HG3 H 2.231 0.03 2 283 22 26 GLU C C 175.025 0.3 1 284 22 26 GLU CA C 55.447 0.3 1 285 22 26 GLU CB C 32.683 0.3 1 286 22 26 GLU CG C 35.885 0.3 1 287 22 26 GLU N N 123.739 0.3 1 288 23 27 ILE H H 8.959 0.03 1 289 23 27 ILE HA H 5.083 0.03 1 290 23 27 ILE HB H 1.804 0.03 1 291 23 27 ILE HG12 H 1.03 0.03 2 292 23 27 ILE HG13 H 1.613 0.03 2 293 23 27 ILE HG2 H 0.902 0.03 1 294 23 27 ILE HD1 H 0.782 0.03 1 295 23 27 ILE C C 174.749 0.3 1 296 23 27 ILE CA C 59.957 0.3 1 297 23 27 ILE CB C 40.475 0.3 1 298 23 27 ILE CG1 C 28.882 0.3 1 299 23 27 ILE CG2 C 18.284 0.3 1 300 23 27 ILE CD1 C 14.172 0.3 1 301 23 27 ILE N N 126.358 0.3 1 302 24 28 ARG H H 9.086 0.03 1 303 24 28 ARG HA H 4.791 0.03 1 304 24 28 ARG HB2 H 1.726 0.03 2 305 24 28 ARG HB3 H 1.799 0.03 2 306 24 28 ARG HG2 H 1.546 0.03 2 307 24 28 ARG HG3 H 1.624 0.03 2 308 24 28 ARG HD2 H 3.15 0.03 1 309 24 28 ARG HD3 H 3.15 0.03 1 310 24 28 ARG HE H 7.21 0.03 1 311 24 28 ARG C C 174.005 0.3 1 312 24 28 ARG CA C 54.688 0.3 1 313 24 28 ARG CB C 33.528 0.3 1 314 24 28 ARG CG C 27.039 0.3 1 315 24 28 ARG CD C 43.342 0.3 1 316 24 28 ARG N N 126.672 0.3 1 317 24 28 ARG NE N 84.721 0.3 1 318 25 29 ALA H H 8.763 0.03 1 319 25 29 ALA HA H 4.735 0.03 1 320 25 29 ALA HB H 1.183 0.03 1 321 25 29 ALA C C 177.343 0.3 1 322 25 29 ALA CA C 51.267 0.3 1 323 25 29 ALA CB C 19.894 0.3 1 324 25 29 ALA N N 126.944 0.3 1 325 26 30 VAL H H 8.567 0.03 1 326 26 30 VAL HA H 4.476 0.03 1 327 26 30 VAL HB H 2.079 0.03 1 328 26 30 VAL HG1 H 0.707 0.03 1 329 26 30 VAL HG2 H 0.83 0.03 1 330 26 30 VAL C C 175.447 0.3 1 331 26 30 VAL CA C 60.445 0.3 1 332 26 30 VAL CB C 34.253 0.3 1 333 26 30 VAL CG1 C 19.656 0.3 2 334 26 30 VAL CG2 C 21.337 0.3 2 335 26 30 VAL N N 119.052 0.3 1 336 27 31 GLY H H 8.308 0.03 1 337 27 31 GLY HA2 H 3.914 0.03 2 338 27 31 GLY HA3 H 4.234 0.03 2 339 27 31 GLY C C 173.311 0.3 1 340 27 31 GLY CA C 44.282 0.3 1 341 27 31 GLY N N 111.434 0.3 1 342 28 32 ASN H H 8.099 0.03 1 343 28 32 ASN HA H 4.692 0.03 1 344 28 32 ASN HB2 H 2.804 0.03 1 345 28 32 ASN HB3 H 2.804 0.03 1 346 28 32 ASN HD21 H 7.629 0.03 2 347 28 32 ASN HD22 H 6.947 0.03 2 348 28 32 ASN C C 175.163 0.3 1 349 28 32 ASN CA C 52.478 0.3 1 350 28 32 ASN CB C 40.019 0.3 1 351 28 32 ASN N N 118.27 0.3 1 352 28 32 ASN ND2 N 113.384 0.3 1 353 29 33 LYS H H 8.529 0.03 1 354 29 33 LYS HA H 3.901 0.03 1 355 29 33 LYS HB2 H 1.814 0.03 1 356 29 33 LYS HB3 H 1.814 0.03 1 357 29 33 LYS HG2 H 1.388 0.03 2 358 29 33 LYS HG3 H 1.432 0.03 2 359 29 33 LYS HD2 H 1.664 0.03 1 360 29 33 LYS HD3 H 1.664 0.03 1 361 29 33 LYS HE2 H 2.986 0.03 1 362 29 33 LYS HE3 H 2.986 0.03 1 363 29 33 LYS C C 176.879 0.3 1 364 29 33 LYS CA C 58.555 0.3 1 365 29 33 LYS CB C 31.766 0.3 1 366 29 33 LYS CG C 24.904 0.3 1 367 29 33 LYS CD C 29.013 0.3 1 368 29 33 LYS CE C 41.953 0.3 1 369 29 33 LYS N N 119.327 0.3 1 370 30 34 ASN H H 8.339 0.03 1 371 30 34 ASN HA H 4.617 0.03 1 372 30 34 ASN HB2 H 2.87 0.03 2 373 30 34 ASN HB3 H 2.765 0.03 2 374 30 34 ASN HD21 H 7.622 0.03 2 375 30 34 ASN HD22 H 6.968 0.03 2 376 30 34 ASN C C 175.068 0.3 1 377 30 34 ASN CA C 54.541 0.3 1 378 30 34 ASN CB C 38.465 0.3 1 379 30 34 ASN N N 116.146 0.3 1 380 30 34 ASN ND2 N 113.197 0.3 1 381 31 35 ARG H H 7.927 0.03 1 382 31 35 ARG HA H 4.472 0.03 1 383 31 35 ARG HB2 H 1.682 0.03 2 384 31 35 ARG HB3 H 1.866 0.03 2 385 31 35 ARG HG2 H 1.557 0.03 1 386 31 35 ARG HG3 H 1.557 0.03 1 387 31 35 ARG HD2 H 3.196 0.03 1 388 31 35 ARG HD3 H 3.196 0.03 1 389 31 35 ARG C C 174.839 0.3 1 390 31 35 ARG CA C 55.267 0.3 1 391 31 35 ARG CB C 30.575 0.3 1 392 31 35 ARG CG C 26.82 0.3 1 393 31 35 ARG CD C 43.454 0.3 1 394 31 35 ARG N N 121.28 0.3 1 395 32 36 GLN H H 8.234 0.03 1 396 32 36 GLN HA H 4.368 0.03 1 397 32 36 GLN HB2 H 1.7 0.03 2 398 32 36 GLN HB3 H 1.802 0.03 2 399 32 36 GLN HG2 H 1.954 0.03 2 400 32 36 GLN HG3 H 2.09 0.03 2 401 32 36 GLN HE21 H 7.325 0.03 2 402 32 36 GLN HE22 H 6.732 0.03 2 403 32 36 GLN C C 175.24 0.3 1 404 32 36 GLN CA C 56.365 0.3 1 405 32 36 GLN CB C 30.515 0.3 1 406 32 36 GLN CG C 34.35 0.3 1 407 32 36 GLN N N 123.269 0.3 1 408 32 36 GLN NE2 N 111.738 0.3 1 409 33 37 LYS H H 8.173 0.03 1 410 33 37 LYS HA H 4.35 0.03 1 411 33 37 LYS HB2 H 1.516 0.03 2 412 33 37 LYS HB3 H 1.557 0.03 2 413 33 37 LYS HG2 H 1.149 0.03 2 414 33 37 LYS HG3 H 1.219 0.03 2 415 33 37 LYS HD2 H 1.49 0.03 2 416 33 37 LYS HD3 H 1.523 0.03 2 417 33 37 LYS HE2 H 3.083 0.03 2 418 33 37 LYS HE3 H 3.114 0.03 2 419 33 37 LYS C C 173.586 0.3 1 420 33 37 LYS CA C 55.296 0.3 1 421 33 37 LYS CB C 35.412 0.3 1 422 33 37 LYS CG C 24.773 0.3 1 423 33 37 LYS CD C 29.16 0.3 1 424 33 37 LYS CE C 41.734 0.3 1 425 33 37 LYS N N 121.28 0.3 1 426 34 38 PHE H H 8.818 0.03 1 427 34 38 PHE HA H 5.115 0.03 1 428 34 38 PHE HB2 H 2.558 0.03 1 429 34 38 PHE HB3 H 2.558 0.03 1 430 34 38 PHE HD1 H 6.793 0.03 1 431 34 38 PHE HD2 H 6.793 0.03 1 432 34 38 PHE HE1 H 7.345 0.03 1 433 34 38 PHE HE2 H 7.345 0.03 1 434 34 38 PHE HZ H 7.302 0.03 1 435 34 38 PHE C C 174.456 0.3 1 436 34 38 PHE CA C 57.434 0.3 1 437 34 38 PHE CB C 41.399 0.3 1 438 34 38 PHE CD1 C 131.223 0.3 1 439 34 38 PHE CD2 C 131.223 0.3 1 440 34 38 PHE CE1 C 131.502 0.3 1 441 34 38 PHE CE2 C 131.502 0.3 1 442 34 38 PHE CZ C 130.182 0.3 1 443 34 38 PHE N N 119.717 0.3 1 444 35 39 MET H H 9.133 0.03 1 445 35 39 MET HA H 5.118 0.03 1 446 35 39 MET HB2 H 1.977 0.03 2 447 35 39 MET HB3 H 2.159 0.03 2 448 35 39 MET HG2 H 2.474 0.03 2 449 35 39 MET HG3 H 2.532 0.03 2 450 35 39 MET HE H 2.031 0.03 1 451 35 39 MET C C 174.82 0.3 1 452 35 39 MET CA C 53.815 0.3 1 453 35 39 MET CB C 34.064 0.3 1 454 35 39 MET CG C 31.938 0.3 1 455 35 39 MET CE C 17.179 0.3 1 456 35 39 MET N N 121.28 0.3 1 457 36 40 CYS H H 9.488 0.03 1 458 36 40 CYS HA H 5.729 0.03 1 459 36 40 CYS HB2 H 2.415 0.03 2 460 36 40 CYS HB3 H 2.657 0.03 2 461 36 40 CYS C C 172.515 0.3 1 462 36 40 CYS CA C 55.88 0.3 1 463 36 40 CYS CB C 30.2 0.3 1 464 36 40 CYS N N 124.325 0.3 1 465 37 41 GLU H H 8.824 0.03 1 466 37 41 GLU HA H 5.797 0.03 1 467 37 41 GLU HB2 H 1.811 0.03 2 468 37 41 GLU HB3 H 1.858 0.03 2 469 37 41 GLU HG2 H 2.144 0.03 2 470 37 41 GLU HG3 H 2.257 0.03 2 471 37 41 GLU C C 175.353 0.3 1 472 37 41 GLU CA C 53.865 0.3 1 473 37 41 GLU CB C 34.017 0.3 1 474 37 41 GLU CG C 36.836 0.3 1 475 37 41 GLU N N 129.453 0.3 1 476 38 42 VAL H H 9.214 0.03 1 477 38 42 VAL HA H 5.064 0.03 1 478 38 42 VAL HB H 1.316 0.03 1 479 38 42 VAL HG1 H 0.503 0.03 1 480 38 42 VAL HG2 H -0.223 0.03 1 481 38 42 VAL C C 171.925 0.3 1 482 38 42 VAL CA C 57.981 0.3 1 483 38 42 VAL CB C 34.966 0.3 1 484 38 42 VAL CG1 C 20.26 0.3 2 485 38 42 VAL CG2 C 21.608 0.3 2 486 38 42 VAL N N 123.352 0.3 1 487 39 43 ARG H H 8.14 0.03 1 488 39 43 ARG HA H 4.667 0.03 1 489 39 43 ARG HB2 H 1.473 0.03 2 490 39 43 ARG HB3 H 1.776 0.03 2 491 39 43 ARG HG2 H 1.522 0.03 2 492 39 43 ARG HG3 H 1.487 0.03 2 493 39 43 ARG HD2 H 3.051 0.03 2 494 39 43 ARG HD3 H 3.114 0.03 2 495 39 43 ARG HE H 7.257 0.03 1 496 39 43 ARG C C 174.952 0.3 1 497 39 43 ARG CA C 54.023 0.3 1 498 39 43 ARG CB C 34.675 0.3 1 499 39 43 ARG CG C 28.94 0.3 1 500 39 43 ARG CD C 42.904 0.3 1 501 39 43 ARG N N 124.769 0.3 1 502 39 43 ARG NE N 85.498 0.3 1 503 40 44 VAL H H 9.366 0.03 1 504 40 44 VAL HA H 4.136 0.03 1 505 40 44 VAL HB H 2.016 0.03 1 506 40 44 VAL HG1 H 0.178 0.03 1 507 40 44 VAL HG2 H 1.243 0.03 1 508 40 44 VAL C C 175.09 0.3 1 509 40 44 VAL CA C 61.554 0.3 1 510 40 44 VAL CB C 35.08 0.3 1 511 40 44 VAL CG1 C 21.703 0.3 2 512 40 44 VAL CG2 C 23.01 0.3 2 513 40 44 VAL N N 122.559 0.3 1 514 41 45 GLU H H 8.511 0.03 1 515 41 45 GLU HA H 4.068 0.03 1 516 41 45 GLU HB2 H 2.074 0.03 1 517 41 45 GLU HB3 H 2.074 0.03 1 518 41 45 GLU HG2 H 2.289 0.03 1 519 41 45 GLU HG3 H 2.289 0.03 1 520 41 45 GLU C C 175.964 0.3 1 521 41 45 GLU CA C 58.7 0.3 1 522 41 45 GLU CB C 29.626 0.3 1 523 41 45 GLU CG C 36.043 0.3 1 524 41 45 GLU N N 128.702 0.3 1 525 42 46 GLY H H 8.533 0.03 1 526 42 46 GLY HA2 H 3.486 0.03 2 527 42 46 GLY HA3 H 4.149 0.03 2 528 42 46 GLY C C 174.108 0.3 1 529 42 46 GLY CA C 44.534 0.3 1 530 42 46 GLY N N 111.434 0.3 1 531 43 47 PHE H H 8.22 0.03 1 532 43 47 PHE HA H 4.989 0.03 1 533 43 47 PHE HB2 H 3.469 0.03 2 534 43 47 PHE HB3 H 3.504 0.03 2 535 43 47 PHE HD1 H 7.533 0.03 1 536 43 47 PHE HD2 H 7.533 0.03 1 537 43 47 PHE HE1 H 7.459 0.03 1 538 43 47 PHE HE2 H 7.459 0.03 1 539 43 47 PHE HZ H 7.475 0.03 1 540 43 47 PHE C C 176.511 0.3 1 541 43 47 PHE CA C 57.639 0.3 1 542 43 47 PHE CB C 41.305 0.3 1 543 43 47 PHE CD1 C 132.628 0.3 1 544 43 47 PHE CD2 C 132.628 0.3 1 545 43 47 PHE CE1 C 131.31 0.3 1 546 43 47 PHE CE2 C 131.31 0.3 1 547 43 47 PHE CZ C 129.822 0.3 1 548 43 47 PHE N N 118.1 0.3 1 549 44 48 ASN H H 9.224 0.03 1 550 44 48 ASN HA H 4.868 0.03 1 551 44 48 ASN HB2 H 2.834 0.03 2 552 44 48 ASN HB3 H 2.953 0.03 2 553 44 48 ASN HD21 H 6.965 0.03 2 554 44 48 ASN HD22 H 7.666 0.03 2 555 44 48 ASN C C 174.163 0.3 1 556 44 48 ASN CA C 53.081 0.3 1 557 44 48 ASN CB C 37.796 0.3 1 558 44 48 ASN N N 123.644 0.3 1 559 44 48 ASN ND2 N 112.491 0.3 1 560 45 49 TYR H H 7.237 0.03 1 561 45 49 TYR HA H 4.114 0.03 1 562 45 49 TYR HB2 H 1.45 0.03 2 563 45 49 TYR HB3 H 2.151 0.03 2 564 45 49 TYR HD1 H 6.45 0.03 1 565 45 49 TYR HD2 H 6.45 0.03 1 566 45 49 TYR HE1 H 6.497 0.03 1 567 45 49 TYR HE2 H 6.497 0.03 1 568 45 49 TYR C C 172.491 0.3 1 569 45 49 TYR CA C 58.679 0.3 1 570 45 49 TYR CB C 40.035 0.3 1 571 45 49 TYR CD1 C 132.515 0.3 1 572 45 49 TYR CD2 C 132.515 0.3 1 573 45 49 TYR CE1 C 118.086 0.3 1 574 45 49 TYR CE2 C 118.086 0.3 1 575 45 49 TYR N N 120.739 0.3 1 576 46 50 ALA H H 6.935 0.03 1 577 46 50 ALA HA H 4.941 0.03 1 578 46 50 ALA HB H 0.958 0.03 1 579 46 50 ALA C C 176.747 0.3 1 580 46 50 ALA CA C 49.708 0.3 1 581 46 50 ALA CB C 19.555 0.3 1 582 46 50 ALA N N 129.81 0.3 1 583 47 51 GLY H H 8.809 0.03 1 584 47 51 GLY HA2 H 3.606 0.03 1 585 47 51 GLY HA3 H 3.606 0.03 1 586 47 51 GLY C C 173.485 0.3 1 587 47 51 GLY CA C 45.296 0.3 1 588 47 51 GLY N N 108.993 0.3 1 589 48 52 MET H H 9.293 0.03 1 590 48 52 MET HA H 5.602 0.03 1 591 48 52 MET HB2 H 1.954 0.03 2 592 48 52 MET HB3 H 2.032 0.03 2 593 48 52 MET HG2 H 2.479 0.03 2 594 48 52 MET HG3 H 2.548 0.03 2 595 48 52 MET HE H 2.086 0.03 1 596 48 52 MET C C 175.468 0.3 1 597 48 52 MET CA C 54.238 0.3 1 598 48 52 MET CB C 36.247 0.3 1 599 48 52 MET CG C 31.865 0.3 1 600 48 52 MET CE C 17.651 0.3 1 601 48 52 MET N N 122.894 0.3 1 602 49 53 GLY H H 8.81 0.03 1 603 49 53 GLY HA2 H 3.788 0.03 2 604 49 53 GLY HA3 H 4.542 0.03 2 605 49 53 GLY C C 170.939 0.3 1 606 49 53 GLY CA C 45.025 0.3 1 607 49 53 GLY N N 108.273 0.3 1 608 50 54 ASN H H 9.127 0.03 1 609 50 54 ASN HA H 5.922 0.03 1 610 50 54 ASN HB2 H 2.654 0.03 2 611 50 54 ASN HB3 H 2.872 0.03 2 612 50 54 ASN HD21 H 7.63 0.03 2 613 50 54 ASN HD22 H 6.813 0.03 2 614 50 54 ASN C C 174.544 0.3 1 615 50 54 ASN CA C 52.608 0.3 1 616 50 54 ASN CB C 43.611 0.3 1 617 50 54 ASN N N 117.833 0.3 1 618 50 54 ASN ND2 N 114.462 0.3 1 619 51 55 SER H H 8.632 0.03 1 620 51 55 SER HA H 4.735 0.03 1 621 51 55 SER HB2 H 3.715 0.03 2 622 51 55 SER HB3 H 4.084 0.03 2 623 51 55 SER C C 174.175 0.3 1 624 51 55 SER CA C 57.609 0.3 1 625 51 55 SER CB C 62.602 0.3 1 626 51 55 SER N N 112.295 0.3 1 627 52 56 THR H H 8.431 0.03 1 628 52 56 THR HA H 4.564 0.03 1 629 52 56 THR HB H 4.646 0.03 1 630 52 56 THR HG2 H 1.397 0.03 1 631 52 56 THR C C 173.567 0.3 1 632 52 56 THR CA C 63.324 0.3 1 633 52 56 THR CB C 69.298 0.3 1 634 52 56 THR CG2 C 22.236 0.3 1 635 52 56 THR N N 113.584 0.3 1 636 53 57 ASN H H 8.283 0.03 1 637 53 57 ASN HA H 5.013 0.03 1 638 53 57 ASN HB2 H 2.743 0.03 2 639 53 57 ASN HB3 H 2.784 0.03 2 640 53 57 ASN HD21 H 7.525 0.03 2 641 53 57 ASN HD22 H 7.457 0.03 2 642 53 57 ASN C C 174.293 0.3 1 643 53 57 ASN CA C 52.339 0.3 1 644 53 57 ASN CB C 42.151 0.3 1 645 53 57 ASN N N 117.365 0.3 1 646 53 57 ASN ND2 N 116.213 0.3 1 647 54 58 LYS H H 8.425 0.03 1 648 54 58 LYS HA H 3.091 0.03 1 649 54 58 LYS HB2 H 0.993 0.03 2 650 54 58 LYS HB3 H 1.186 0.03 2 651 54 58 LYS HG2 H 0.547 0.03 1 652 54 58 LYS HG3 H 0.547 0.03 1 653 54 58 LYS HD2 H 1.355 0.03 1 654 54 58 LYS HD3 H 1.355 0.03 1 655 54 58 LYS HE2 H 2.637 0.03 1 656 54 58 LYS HE3 H 2.637 0.03 1 657 54 58 LYS C C 177.57 0.3 1 658 54 58 LYS CA C 60.635 0.3 1 659 54 58 LYS CB C 32.582 0.3 1 660 54 58 LYS CG C 25.11 0.3 1 661 54 58 LYS CD C 29.233 0.3 1 662 54 58 LYS CE C 41.734 0.3 1 663 54 58 LYS N N 123.858 0.3 1 664 55 59 LYS H H 7.966 0.03 1 665 55 59 LYS HA H 3.891 0.03 1 666 55 59 LYS HB2 H 1.781 0.03 1 667 55 59 LYS HB3 H 1.781 0.03 1 668 55 59 LYS HG2 H 1.303 0.03 1 669 55 59 LYS HG3 H 1.303 0.03 1 670 55 59 LYS HD2 H 1.633 0.03 1 671 55 59 LYS HD3 H 1.633 0.03 1 672 55 59 LYS HE2 H 2.938 0.03 1 673 55 59 LYS HE3 H 2.938 0.03 1 674 55 59 LYS C C 179.835 0.3 1 675 55 59 LYS CA C 59.778 0.3 1 676 55 59 LYS CB C 31.786 0.3 1 677 55 59 LYS CG C 24.992 0.3 1 678 55 59 LYS CD C 28.867 0.3 1 679 55 59 LYS CE C 41.953 0.3 1 680 55 59 LYS N N 119.93 0.3 1 681 56 60 ASP H H 8.57 0.03 1 682 56 60 ASP HA H 4.431 0.03 1 683 56 60 ASP HB2 H 2.642 0.03 2 684 56 60 ASP HB3 H 2.848 0.03 2 685 56 60 ASP C C 178.311 0.3 1 686 56 60 ASP CA C 56.818 0.3 1 687 56 60 ASP CB C 39.966 0.3 1 688 56 60 ASP N N 120.799 0.3 1 689 57 61 ALA H H 7.793 0.03 1 690 57 61 ALA HA H 3.592 0.03 1 691 57 61 ALA HB H 1.364 0.03 1 692 57 61 ALA C C 179.079 0.3 1 693 57 61 ALA CA C 56.391 0.3 1 694 57 61 ALA CB C 17.922 0.3 1 695 57 61 ALA N N 122.377 0.3 1 696 58 62 GLN H H 7.559 0.03 1 697 58 62 GLN HA H 4.482 0.03 1 698 58 62 GLN HB2 H 1.677 0.03 2 699 58 62 GLN HB3 H 2.104 0.03 2 700 58 62 GLN HG2 H 2.372 0.03 2 701 58 62 GLN HG3 H 1.966 0.03 2 702 58 62 GLN HE21 H 5.399 0.03 2 703 58 62 GLN HE22 H 6.826 0.03 2 704 58 62 GLN C C 178.323 0.3 1 705 58 62 GLN CA C 58.696 0.3 1 706 58 62 GLN CB C 29.421 0.3 1 707 58 62 GLN CG C 34.45 0.3 1 708 58 62 GLN N N 115.435 0.3 1 709 58 62 GLN NE2 N 109.337 0.3 1 710 59 63 SER H H 8.227 0.03 1 711 59 63 SER HA H 4.023 0.03 1 712 59 63 SER HB2 H 3.943 0.03 1 713 59 63 SER HB3 H 3.943 0.03 1 714 59 63 SER C C 175.786 0.3 1 715 59 63 SER CA C 62.397 0.3 1 716 59 63 SER CB C 62.397 0.3 1 717 59 63 SER N N 116.286 0.3 1 718 60 64 ASN H H 8.745 0.03 1 719 60 64 ASN HA H 4.488 0.03 1 720 60 64 ASN HB2 H 2.819 0.03 2 721 60 64 ASN HB3 H 3.133 0.03 2 722 60 64 ASN HD21 H 6.926 0.03 2 723 60 64 ASN HD22 H 7.186 0.03 2 724 60 64 ASN C C 177.968 0.3 1 725 60 64 ASN CA C 55.625 0.3 1 726 60 64 ASN CB C 37.119 0.3 1 727 60 64 ASN N N 120.668 0.3 1 728 60 64 ASN ND2 N 109.094 0.3 1 729 61 65 ALA H H 8.009 0.03 1 730 61 65 ALA HA H 3.946 0.03 1 731 61 65 ALA HB H 1.417 0.03 1 732 61 65 ALA C C 178.843 0.3 1 733 61 65 ALA CA C 55.464 0.3 1 734 61 65 ALA CB C 18.483 0.3 1 735 61 65 ALA N N 125.716 0.3 1 736 62 66 ALA H H 8.463 0.03 1 737 62 66 ALA HA H 4.032 0.03 1 738 62 66 ALA HB H 1.722 0.03 1 739 62 66 ALA C C 179.185 0.3 1 740 62 66 ALA CA C 55.453 0.3 1 741 62 66 ALA CB C 18.11 0.3 1 742 62 66 ALA N N 120.155 0.3 1 743 63 67 ARG H H 8.634 0.03 1 744 63 67 ARG HA H 3.75 0.03 1 745 63 67 ARG HB2 H 2.017 0.03 2 746 63 67 ARG HB3 H 2.109 0.03 2 747 63 67 ARG HG2 H 1.744 0.03 2 748 63 67 ARG HG3 H 1.607 0.03 2 749 63 67 ARG HD2 H 3.21 0.03 2 750 63 67 ARG HD3 H 3.312 0.03 2 751 63 67 ARG HE H 7.473 0.03 1 752 63 67 ARG C C 177.358 0.3 1 753 63 67 ARG CA C 59.598 0.3 1 754 63 67 ARG CB C 29.575 0.3 1 755 63 67 ARG CG C 26.906 0.3 1 756 63 67 ARG CD C 42.713 0.3 1 757 63 67 ARG N N 118.021 0.3 1 758 63 67 ARG NE N 83.234 0.3 1 759 64 68 ASP H H 7.994 0.03 1 760 64 68 ASP HA H 4.566 0.03 1 761 64 68 ASP HB2 H 3.036 0.03 2 762 64 68 ASP HB3 H 3.104 0.03 2 763 64 68 ASP C C 178.705 0.3 1 764 64 68 ASP CA C 57.898 0.3 1 765 64 68 ASP CB C 43.072 0.3 1 766 64 68 ASP N N 119.243 0.3 1 767 65 69 PHE H H 8.565 0.03 1 768 65 69 PHE HA H 4.032 0.03 1 769 65 69 PHE HB2 H 2.906 0.03 2 770 65 69 PHE HB3 H 3.132 0.03 2 771 65 69 PHE HD1 H 6.933 0.03 1 772 65 69 PHE HD2 H 6.933 0.03 1 773 65 69 PHE HE1 H 7.185 0.03 1 774 65 69 PHE HE2 H 7.185 0.03 1 775 65 69 PHE HZ H 6.945 0.03 1 776 65 69 PHE C C 177.115 0.3 1 777 65 69 PHE CA C 63.17 0.3 1 778 65 69 PHE CB C 40.505 0.3 1 779 65 69 PHE CD1 C 131.261 0.3 1 780 65 69 PHE CD2 C 131.261 0.3 1 781 65 69 PHE CE1 C 131.26 0.3 1 782 65 69 PHE CE2 C 131.26 0.3 1 783 65 69 PHE CZ C 129.283 0.3 1 784 65 69 PHE N N 120.364 0.3 1 785 66 70 VAL H H 8.945 0.03 1 786 66 70 VAL HA H 3.276 0.03 1 787 66 70 VAL HB H 2.148 0.03 1 788 66 70 VAL HG1 H 0.796 0.03 1 789 66 70 VAL HG2 H 1.191 0.03 1 790 66 70 VAL C C 176.692 0.3 1 791 66 70 VAL CA C 67.192 0.3 1 792 66 70 VAL CB C 31.039 0.3 1 793 66 70 VAL CG1 C 23.16 0.3 2 794 66 70 VAL CG2 C 24.914 0.3 2 795 66 70 VAL N N 119.629 0.3 1 796 67 71 ASN H H 8.621 0.03 1 797 67 71 ASN HA H 4.275 0.03 1 798 67 71 ASN HB2 H 2.679 0.03 2 799 67 71 ASN HB3 H 3.067 0.03 2 800 67 71 ASN HD21 H 6.758 0.03 2 801 67 71 ASN HD22 H 7.757 0.03 2 802 67 71 ASN C C 178.7 0.3 1 803 67 71 ASN CA C 55.947 0.3 1 804 67 71 ASN CB C 37.203 0.3 1 805 67 71 ASN N N 118.453 0.3 1 806 67 71 ASN ND2 N 110.809 0.3 1 807 68 72 TYR H H 7.369 0.03 1 808 68 72 TYR HA H 3.783 0.03 1 809 68 72 TYR HB2 H 2.147 0.03 2 810 68 72 TYR HB3 H 2.754 0.03 2 811 68 72 TYR HD1 H 6.05 0.03 1 812 68 72 TYR HD2 H 6.05 0.03 1 813 68 72 TYR HE1 H 6.459 0.03 1 814 68 72 TYR HE2 H 6.459 0.03 1 815 68 72 TYR C C 175.175 0.3 1 816 68 72 TYR CA C 60.94 0.3 1 817 68 72 TYR CB C 36.754 0.3 1 818 68 72 TYR CD1 C 132.989 0.3 1 819 68 72 TYR CD2 C 132.989 0.3 1 820 68 72 TYR CE1 C 117.758 0.3 1 821 68 72 TYR CE2 C 117.758 0.3 1 822 68 72 TYR N N 124.128 0.3 1 823 69 73 LEU H H 7.516 0.03 1 824 69 73 LEU HA H 3.26 0.03 1 825 69 73 LEU HB2 H 0.56 0.03 2 826 69 73 LEU HB3 H 1.726 0.03 2 827 69 73 LEU HG H 1.066 0.03 1 828 69 73 LEU HD1 H -0.163 0.03 1 829 69 73 LEU HD2 H -0.413 0.03 1 830 69 73 LEU C C 180.078 0.3 1 831 69 73 LEU CA C 56.888 0.3 1 832 69 73 LEU CB C 41.368 0.3 1 833 69 73 LEU CG C 24.919 0.3 1 834 69 73 LEU CD1 C 21.141 0.3 2 835 69 73 LEU CD2 C 24.04 0.3 2 836 69 73 LEU N N 118.431 0.3 1 837 70 74 VAL H H 8.099 0.03 1 838 70 74 VAL HA H 4.178 0.03 1 839 70 74 VAL HB H 2.058 0.03 1 840 70 74 VAL HG1 H 0.829 0.03 1 841 70 74 VAL HG2 H 0.705 0.03 1 842 70 74 VAL C C 180.55 0.3 1 843 70 74 VAL CA C 64.708 0.3 1 844 70 74 VAL CB C 31.706 0.3 1 845 70 74 VAL CG1 C 21.337 0.3 2 846 70 74 VAL CG2 C 22.415 0.3 2 847 70 74 VAL N N 120.122 0.3 1 848 71 75 ARG H H 7.728 0.03 1 849 71 75 ARG HA H 3.98 0.03 1 850 71 75 ARG HB2 H 1.802 0.03 2 851 71 75 ARG HB3 H 1.946 0.03 2 852 71 75 ARG HG2 H 1.48 0.03 2 853 71 75 ARG HG3 H 1.791 0.03 2 854 71 75 ARG HD2 H 3.151 0.03 2 855 71 75 ARG HD3 H 3.248 0.03 2 856 71 75 ARG HE H 7.23 0.03 1 857 71 75 ARG C C 178.794 0.3 1 858 71 75 ARG CA C 59.949 0.3 1 859 71 75 ARG CB C 30.139 0.3 1 860 71 75 ARG CG C 27.804 0.3 1 861 71 75 ARG CD C 43.971 0.3 1 862 71 75 ARG N N 123.175 0.3 1 863 71 75 ARG NE N 83.27 0.3 1 864 72 76 ILE H H 7.459 0.03 1 865 72 76 ILE HA H 4.394 0.03 1 866 72 76 ILE HB H 2.118 0.03 1 867 72 76 ILE HG12 H 0.869 0.03 2 868 72 76 ILE HG13 H 0.775 0.03 2 869 72 76 ILE HG2 H 0.52 0.03 1 870 72 76 ILE HD1 H 0.783 0.03 1 871 72 76 ILE C C 175.424 0.3 1 872 72 76 ILE CA C 61.574 0.3 1 873 72 76 ILE CB C 37.017 0.3 1 874 72 76 ILE CG1 C 26.526 0.3 1 875 72 76 ILE CG2 C 17.218 0.3 1 876 72 76 ILE CD1 C 15.59 0.3 1 877 72 76 ILE N N 109.201 0.3 1 878 73 77 ASN H H 7.841 0.03 1 879 73 77 ASN HA H 4.419 0.03 1 880 73 77 ASN HB2 H 2.891 0.03 2 881 73 77 ASN HB3 H 3.093 0.03 2 882 73 77 ASN HD21 H 6.756 0.03 2 883 73 77 ASN HD22 H 7.464 0.03 2 884 73 77 ASN C C 175.031 0.3 1 885 73 77 ASN CA C 55.086 0.3 1 886 73 77 ASN CB C 36.941 0.3 1 887 73 77 ASN N N 115.627 0.3 1 888 73 77 ASN ND2 N 112.319 0.3 1 889 74 78 GLU H H 8.44 0.03 1 890 74 78 GLU HA H 4.45 0.03 1 891 74 78 GLU HB2 H 1.635 0.03 2 892 74 78 GLU HB3 H 2.466 0.03 2 893 74 78 GLU HG2 H 2.271 0.03 2 894 74 78 GLU HG3 H 2.445 0.03 2 895 74 78 GLU CA C 57.622 0.3 1 896 74 78 GLU CB C 31.397 0.3 1 897 74 78 GLU CG C 35.497 0.3 1 898 74 78 GLU N N 116.936 0.3 1 899 75 79 VAL H H 6.865 0.03 1 900 75 79 VAL HA H 4.199 0.03 1 901 75 79 VAL HB H 1.28 0.03 1 902 75 79 VAL HG1 H 0.399 0.03 1 903 75 79 VAL HG2 H 0.676 0.03 1 904 75 79 VAL C C 174.357 0.3 1 905 75 79 VAL CA C 59.918 0.3 1 906 75 79 VAL CB C 35.671 0.3 1 907 75 79 VAL CG1 C 23.015 0.3 2 908 75 79 VAL CG2 C 22.268 0.3 2 909 75 79 VAL N N 117.858 0.3 1 910 76 80 LYS H H 8.893 0.03 1 911 76 80 LYS HA H 4.42 0.03 1 912 76 80 LYS HB2 H 1.68 0.03 2 913 76 80 LYS HB3 H 2.063 0.03 2 914 76 80 LYS HG2 H 1.458 0.03 2 915 76 80 LYS HG3 H 1.554 0.03 2 916 76 80 LYS HE2 H 2.995 0.03 1 917 76 80 LYS HE3 H 2.995 0.03 1 918 76 80 LYS C C 178.015 0.3 1 919 76 80 LYS CA C 55.287 0.3 1 920 76 80 LYS CB C 32.862 0.3 1 921 76 80 LYS CG C 24.868 0.3 1 922 76 80 LYS CD C 28.621 0.3 1 923 76 80 LYS CE C 42.077 0.3 1 924 76 80 LYS N N 125.519 0.3 1 925 77 81 SER H H 9.129 0.03 1 926 77 81 SER HA H 3.854 0.03 1 927 77 81 SER HB2 H 3.822 0.03 2 928 77 81 SER HB3 H 3.796 0.03 2 929 77 81 SER C C 177.136 0.3 1 930 77 81 SER CA C 62.486 0.3 1 931 77 81 SER CB C 62.486 0.3 1 932 77 81 SER N N 119.727 0.3 1 933 78 82 GLU H H 9.26 0.03 1 934 78 82 GLU HA H 4.138 0.03 1 935 78 82 GLU HB2 H 2.027 0.03 1 936 78 82 GLU HB3 H 2.027 0.03 1 937 78 82 GLU HG2 H 2.245 0.03 1 938 78 82 GLU HG3 H 2.245 0.03 1 939 78 82 GLU C C 177.074 0.3 1 940 78 82 GLU CA C 58.48 0.3 1 941 78 82 GLU CB C 28.702 0.3 1 942 78 82 GLU CG C 36.067 0.3 1 943 78 82 GLU N N 117.889 0.3 1 944 79 83 GLU H H 7.829 0.03 1 945 79 83 GLU HA H 4.211 0.03 1 946 79 83 GLU HB2 H 2.201 0.03 2 947 79 83 GLU HB3 H 2.269 0.03 2 948 79 83 GLU HG2 H 2.467 0.03 2 949 79 83 GLU HG3 H 2.255 0.03 2 950 79 83 GLU C C 175.726 0.3 1 951 79 83 GLU CA C 56.562 0.3 1 952 79 83 GLU CB C 30.907 0.3 1 953 79 83 GLU CG C 37.529 0.3 1 954 79 83 GLU N N 118.065 0.3 1 955 80 84 VAL H H 6.96 0.03 1 956 80 84 VAL HA H 3.138 0.03 1 957 80 84 VAL HB H 1.809 0.03 1 958 80 84 VAL HG1 H 0.515 0.03 1 959 80 84 VAL HG2 H 0.56 0.03 1 960 80 84 VAL C C 174.347 0.3 1 961 80 84 VAL CA C 60.366 0.3 1 962 80 84 VAL CB C 32.502 0.3 1 963 80 84 VAL CG1 C 22.056 0.3 2 964 80 84 VAL CG2 C 20.904 0.3 2 965 80 84 VAL N N 119.655 0.3 1 966 81 85 PRO HA H 4.266 0.03 1 967 81 85 PRO HB2 H 2.272 0.03 2 968 81 85 PRO HB3 H 1.768 0.03 2 969 81 85 PRO HG2 H 1.879 0.03 2 970 81 85 PRO HG3 H 1.777 0.03 2 971 81 85 PRO HD2 H 2.862 0.03 2 972 81 85 PRO HD3 H 3.276 0.03 2 973 81 85 PRO C C 176.12 0.3 1 974 81 85 PRO CA C 63.17 0.3 1 975 81 85 PRO CB C 31.911 0.3 1 976 81 85 PRO CG C 27.625 0.3 1 977 81 85 PRO CD C 50.361 0.3 1 978 82 86 ALA H H 8.395 0.03 1 979 82 86 ALA HA H 4.268 0.03 1 980 82 86 ALA HB H 1.354 0.03 1 981 82 86 ALA C C 177.868 0.3 1 982 82 86 ALA CA C 51.987 0.3 1 983 82 86 ALA CB C 19.542 0.3 1 984 82 86 ALA N N 126.252 0.3 1 985 83 87 VAL H H 8.204 0.03 1 986 83 87 VAL HA H 3.992 0.03 1 987 83 87 VAL HB H 2.033 0.03 1 988 83 87 VAL HG1 H 0.945 0.03 1 989 83 87 VAL HG2 H 0.945 0.03 1 990 83 87 VAL C C 176.73 0.3 1 991 83 87 VAL CA C 63.011 0.3 1 992 83 87 VAL CB C 32.839 0.3 1 993 83 87 VAL CG1 C 20.952 0.3 1 994 83 87 VAL CG2 C 20.952 0.3 1 995 83 87 VAL N N 119.54 0.3 1 996 84 88 GLY H H 8.365 0.03 1 997 84 88 GLY HA2 H 3.956 0.03 2 998 84 88 GLY HA3 H 3.894 0.03 2 999 84 88 GLY C C 174.071 0.3 1 1000 84 88 GLY CA C 45.425 0.3 1 1001 84 88 GLY N N 112.015 0.3 1 1002 85 89 ILE H H 7.944 0.03 1 1003 85 89 ILE HA H 4.173 0.03 1 1004 85 89 ILE HB H 1.813 0.03 1 1005 85 89 ILE HG12 H 1.419 0.03 2 1006 85 89 ILE HG13 H 1.142 0.03 2 1007 85 89 ILE HG2 H 0.83 0.03 1 1008 85 89 ILE HD1 H 0.819 0.03 1 1009 85 89 ILE CA C 60.855 0.3 1 1010 85 89 ILE CB C 38.753 0.3 1 1011 85 89 ILE CG1 C 27.265 0.3 1 1012 85 89 ILE CG2 C 17.492 0.3 1 1013 85 89 ILE CD1 C 12.732 0.3 1 1014 85 89 ILE N N 120.457 0.3 1 1015 86 90 VAL H H 8.306 0.03 1 1016 86 90 VAL HA H 4.415 0.03 1 1017 86 90 VAL HB H 2.034 0.03 1 1018 86 90 VAL HG1 H 0.832 0.03 1 1019 86 90 VAL HG2 H 0.912 0.03 1 1020 86 90 VAL CA C 59.713 0.3 1 1021 86 90 VAL CG2 C 20.472 0.3 2 1022 86 90 VAL N N 127.206 0.3 1 1023 87 91 PRO HD2 H 3.695 0.03 2 1024 87 91 PRO HD3 H 3.904 0.03 2 stop_ save_