data_10095 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the KH domain of human ribosomal protein S3 ; _BMRB_accession_number 10095 _BMRB_flat_file_name bmr10095.str _Entry_type new _Submission_date 2007-02-13 _Accession_date 2007-02-16 _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 Nameki N. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 468 "13C chemical shifts" 362 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity name' 2008-08-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the KH domain of human ribosomal protein S3' _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 Nameki N. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Kigawa T. . . 5 Yokoyama S. . . 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 '40S ribosomal protein S3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '40S ribosomal protein S3' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '40S ribosomal protein S3' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GSSGSSGFKAELNEFLTREL AEDGYSGVEVRVTPTRTEII ILATRTQNVLGEKGRRIREL TAVVQKRFGFPEGSVELYAE KVATRGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PHE 9 LYS 10 ALA 11 GLU 12 LEU 13 ASN 14 GLU 15 PHE 16 LEU 17 THR 18 ARG 19 GLU 20 LEU 21 ALA 22 GLU 23 ASP 24 GLY 25 TYR 26 SER 27 GLY 28 VAL 29 GLU 30 VAL 31 ARG 32 VAL 33 THR 34 PRO 35 THR 36 ARG 37 THR 38 GLU 39 ILE 40 ILE 41 ILE 42 LEU 43 ALA 44 THR 45 ARG 46 THR 47 GLN 48 ASN 49 VAL 50 LEU 51 GLY 52 GLU 53 LYS 54 GLY 55 ARG 56 ARG 57 ILE 58 ARG 59 GLU 60 LEU 61 THR 62 ALA 63 VAL 64 VAL 65 GLN 66 LYS 67 ARG 68 PHE 69 GLY 70 PHE 71 PRO 72 GLU 73 GLY 74 SER 75 VAL 76 GLU 77 LEU 78 TYR 79 ALA 80 GLU 81 LYS 82 VAL 83 ALA 84 THR 85 ARG 86 GLY 87 SER 88 GLY 89 PRO 90 SER 91 SER 92 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 1WH9 "Solution Structure Of The Kh Domain Of Human Ribosomal Protein S3" 100.00 92 100.00 100.00 1.36e-55 PDB 2ZKQ "Structure Of A Mammalian Ribosomal 40s Subunit Within An 80s Complex Obtained By Docking Homology Models Of The Rna And Protein" 85.87 243 100.00 100.00 2.43e-45 PDB 3J3A "Structure Of The Human 40s Ribosomal Proteins" 85.87 243 100.00 100.00 2.43e-45 PDB 4CXC "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" 85.87 243 100.00 100.00 2.43e-45 PDB 4D5L "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 85.87 243 100.00 100.00 2.43e-45 PDB 4D61 "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 85.87 243 100.00 100.00 2.43e-45 PDB 4KZX "Rabbit 40s Ribosomal Subunit In Complex With Eif1." 85.87 243 100.00 100.00 2.23e-45 PDB 4KZY "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." 85.87 243 100.00 100.00 2.23e-45 PDB 4KZZ "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" 85.87 243 100.00 100.00 2.23e-45 PDB 4UQ4 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" 85.87 243 100.00 100.00 2.43e-45 PDB 4UQ5 "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" 85.87 243 100.00 100.00 2.43e-45 PDB 4W23 "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)" 85.87 243 100.00 100.00 2.43e-45 PDB 4W28 "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)" 85.87 243 100.00 100.00 2.43e-45 PDB 5A2Q "Structure Of The Hcv Ires Bound To The Human Ribosome" 85.87 243 100.00 100.00 2.43e-45 DBJ BAB22624 "unnamed protein product [Mus musculus]" 85.87 243 100.00 100.00 2.23e-45 DBJ BAB27042 "unnamed protein product [Mus musculus]" 85.87 243 100.00 100.00 2.23e-45 DBJ BAB27761 "unnamed protein product [Mus musculus]" 85.87 243 98.73 98.73 1.75e-44 DBJ BAB28111 "unnamed protein product [Mus musculus]" 85.87 243 100.00 100.00 2.23e-45 DBJ BAB28159 "unnamed protein product [Mus musculus]" 85.87 243 100.00 100.00 2.13e-45 EMBL CAA35916 "unnamed protein product [Rattus rattus]" 85.87 243 100.00 100.00 2.23e-45 EMBL CAA39248 "unnamed protein product [Homo sapiens]" 85.87 243 100.00 100.00 2.56e-45 EMBL CAA40592 "ribosomal protein S1a [Xenopus laevis]" 85.87 246 100.00 100.00 1.38e-45 EMBL CAA54167 "ribosomal protein S3 [Mus musculus]" 85.87 243 100.00 100.00 2.23e-45 EMBL CAA84290 "ribosomal protein [Xenopus laevis]" 85.87 246 98.73 100.00 6.54e-45 GB AAA18095 "ribosomal protein S3, partial [Homo sapiens]" 85.87 95 100.00 100.00 9.24e-47 GB AAB19349 "S3 ribosomal protein [Homo sapiens]" 85.87 243 100.00 100.00 2.56e-45 GB AAB46849 "ribosomal protein S3 [Ambystoma mexicanum]" 85.87 253 100.00 100.00 1.56e-45 GB AAB60336 "ribosomal protein S3 [Homo sapiens]" 85.87 243 100.00 100.00 2.43e-45 GB AAB60337 "ribosomal protein S3 [Homo sapiens]" 85.87 243 100.00 100.00 2.43e-45 REF NP_000996 "40S ribosomal protein S3 isoform 1 [Homo sapiens]" 85.87 243 100.00 100.00 2.43e-45 REF NP_001009239 "40S ribosomal protein S3 [Rattus norvegicus]" 85.87 243 100.00 100.00 2.23e-45 REF NP_001026007 "40S ribosomal protein S3 [Gallus gallus]" 85.87 244 100.00 100.00 2.16e-45 REF NP_001029219 "40S ribosomal protein S3 [Bos taurus]" 85.87 243 100.00 100.00 2.43e-45 REF NP_001038066 "40S ribosomal protein S3 [Sus scrofa]" 85.87 243 100.00 100.00 2.43e-45 SP E2RH47 "RecName: Full=40S ribosomal protein S3" 85.87 243 100.00 100.00 2.23e-45 SP P02350 "RecName: Full=40S ribosomal protein S3-A; AltName: Full=S1A" 85.87 246 100.00 100.00 1.38e-45 SP P23396 "RecName: Full=40S ribosomal protein S3" 85.87 243 100.00 100.00 2.43e-45 SP P47835 "RecName: Full=40S ribosomal protein S3-B; AltName: Full=S1B" 85.87 246 98.73 100.00 6.54e-45 SP P62908 "RecName: Full=40S ribosomal protein S3" 85.87 243 100.00 100.00 2.23e-45 TPG DAA21909 "TPA: 40S ribosomal protein S3 [Bos taurus]" 85.87 243 100.00 100.00 2.43e-45 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_1 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P040301-10 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 0.6 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 200 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, R.' . . 'Billeter, M.' . . 'Guntert, P.' . . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 220 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '40S ribosomal protein S3' _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 7 7 GLY HA2 H 4.092 0.030 1 2 7 7 GLY HA3 H 4.092 0.030 1 3 7 7 GLY C C 174.687 0.300 1 4 7 7 GLY CA C 45.858 0.300 1 5 8 8 PHE H H 8.047 0.030 1 6 8 8 PHE HA H 4.513 0.030 1 7 8 8 PHE HB2 H 3.427 0.030 2 8 8 8 PHE HB3 H 2.915 0.030 2 9 8 8 PHE HD1 H 7.129 0.030 1 10 8 8 PHE HD2 H 7.129 0.030 1 11 8 8 PHE HE1 H 6.725 0.030 1 12 8 8 PHE HE2 H 6.725 0.030 1 13 8 8 PHE HZ H 6.860 0.030 1 14 8 8 PHE C C 175.961 0.300 1 15 8 8 PHE CA C 60.179 0.300 1 16 8 8 PHE CB C 39.003 0.300 1 17 8 8 PHE CD1 C 132.418 0.300 1 18 8 8 PHE CD2 C 132.418 0.300 1 19 8 8 PHE CE1 C 130.102 0.300 1 20 8 8 PHE CE2 C 130.102 0.300 1 21 8 8 PHE CZ C 128.629 0.300 1 22 8 8 PHE N N 121.225 0.300 1 23 9 9 LYS H H 8.329 0.030 1 24 9 9 LYS HA H 3.240 0.030 1 25 9 9 LYS HB2 H 1.799 0.030 1 26 9 9 LYS HB3 H 1.799 0.030 1 27 9 9 LYS HG2 H 1.318 0.030 1 28 9 9 LYS HG3 H 1.318 0.030 1 29 9 9 LYS HD2 H 1.726 0.030 1 30 9 9 LYS HD3 H 1.726 0.030 1 31 9 9 LYS HE2 H 2.994 0.030 2 32 9 9 LYS HE3 H 3.064 0.030 2 33 9 9 LYS C C 177.984 0.300 1 34 9 9 LYS CA C 60.816 0.300 1 35 9 9 LYS CB C 31.586 0.300 1 36 9 9 LYS CG C 25.893 0.300 1 37 9 9 LYS CD C 29.665 0.300 1 38 9 9 LYS CE C 42.228 0.300 1 39 9 9 LYS N N 118.851 0.300 1 40 10 10 ALA H H 7.906 0.030 1 41 10 10 ALA HA H 4.169 0.030 1 42 10 10 ALA HB H 1.502 0.030 1 43 10 10 ALA C C 181.027 0.300 1 44 10 10 ALA CA C 55.122 0.300 1 45 10 10 ALA CB C 18.072 0.300 1 46 10 10 ALA N N 120.577 0.300 1 47 11 11 GLU H H 8.180 0.030 1 48 11 11 GLU HA H 4.165 0.030 1 49 11 11 GLU HB2 H 2.266 0.030 1 50 11 11 GLU HB3 H 2.266 0.030 1 51 11 11 GLU HG2 H 2.592 0.030 2 52 11 11 GLU HG3 H 2.398 0.030 2 53 11 11 GLU C C 180.286 0.300 1 54 11 11 GLU CA C 59.613 0.300 1 55 11 11 GLU CB C 30.103 0.300 1 56 11 11 GLU CG C 36.797 0.300 1 57 11 11 GLU N N 120.628 0.300 1 58 12 12 LEU H H 8.916 0.030 1 59 12 12 LEU HA H 3.997 0.030 1 60 12 12 LEU HB2 H 1.446 0.030 2 61 12 12 LEU HB3 H 0.606 0.030 2 62 12 12 LEU HG H 1.369 0.030 1 63 12 12 LEU HD1 H 0.758 0.030 1 64 12 12 LEU HD2 H 0.631 0.030 1 65 12 12 LEU C C 178.260 0.300 1 66 12 12 LEU CA C 57.881 0.300 1 67 12 12 LEU CB C 40.980 0.300 1 68 12 12 LEU CG C 26.607 0.300 1 69 12 12 LEU CD1 C 23.102 0.300 2 70 12 12 LEU CD2 C 27.196 0.300 2 71 12 12 LEU N N 122.952 0.300 1 72 13 13 ASN H H 8.633 0.030 1 73 13 13 ASN HA H 4.406 0.030 1 74 13 13 ASN HB2 H 2.981 0.030 2 75 13 13 ASN HB3 H 2.777 0.030 2 76 13 13 ASN HD21 H 7.217 0.030 2 77 13 13 ASN HD22 H 8.196 0.030 2 78 13 13 ASN C C 178.130 0.300 1 79 13 13 ASN CA C 56.997 0.300 1 80 13 13 ASN CB C 39.497 0.300 1 81 13 13 ASN N N 116.653 0.300 1 82 13 13 ASN ND2 N 117.474 0.300 1 83 14 14 GLU H H 8.208 0.030 1 84 14 14 GLU HA H 4.008 0.030 1 85 14 14 GLU HB2 H 2.242 0.030 1 86 14 14 GLU HB3 H 2.242 0.030 1 87 14 14 GLU HG2 H 2.472 0.030 2 88 14 14 GLU HG3 H 2.367 0.030 2 89 14 14 GLU C C 178.201 0.300 1 90 14 14 GLU CA C 60.108 0.300 1 91 14 14 GLU CB C 29.361 0.300 1 92 14 14 GLU CG C 36.082 0.300 1 93 14 14 GLU N N 122.154 0.300 1 94 15 15 PHE H H 7.910 0.030 1 95 15 15 PHE HA H 4.419 0.030 1 96 15 15 PHE HB2 H 3.542 0.030 2 97 15 15 PHE HB3 H 3.388 0.030 2 98 15 15 PHE HD1 H 7.241 0.030 1 99 15 15 PHE HD2 H 7.241 0.030 1 100 15 15 PHE HE1 H 7.184 0.030 1 101 15 15 PHE HE2 H 7.184 0.030 1 102 15 15 PHE HZ H 7.187 0.030 1 103 15 15 PHE C C 177.263 0.300 1 104 15 15 PHE CA C 60.710 0.300 1 105 15 15 PHE CB C 39.415 0.300 1 106 15 15 PHE CD1 C 131.683 0.300 1 107 15 15 PHE CD2 C 131.683 0.300 1 108 15 15 PHE CE1 C 131.030 0.300 1 109 15 15 PHE CE2 C 131.030 0.300 1 110 15 15 PHE CZ C 131.034 0.300 1 111 15 15 PHE N N 119.899 0.300 1 112 16 16 LEU H H 8.708 0.030 1 113 16 16 LEU HA H 3.324 0.030 1 114 16 16 LEU HB2 H 1.591 0.030 2 115 16 16 LEU HB3 H 0.576 0.030 2 116 16 16 LEU HG H 1.947 0.030 1 117 16 16 LEU HD1 H 0.866 0.030 1 118 16 16 LEU HD2 H 0.666 0.030 1 119 16 16 LEU C C 177.384 0.300 1 120 16 16 LEU CA C 57.562 0.300 1 121 16 16 LEU CB C 40.074 0.300 1 122 16 16 LEU CG C 26.750 0.300 1 123 16 16 LEU CD1 C 26.750 0.300 2 124 16 16 LEU CD2 C 21.556 0.300 2 125 16 16 LEU N N 118.851 0.300 1 126 17 17 THR H H 7.938 0.030 1 127 17 17 THR HA H 3.450 0.030 1 128 17 17 THR HB H 4.237 0.030 1 129 17 17 THR HG2 H 1.251 0.030 1 130 17 17 THR C C 175.522 0.300 1 131 17 17 THR CA C 66.863 0.300 1 132 17 17 THR CB C 68.998 0.300 1 133 17 17 THR CG2 C 20.790 0.300 1 134 17 17 THR N N 114.641 0.300 1 135 18 18 ARG H H 6.728 0.030 1 136 18 18 ARG HA H 4.127 0.030 1 137 18 18 ARG HB2 H 1.867 0.030 1 138 18 18 ARG HB3 H 1.867 0.030 1 139 18 18 ARG HG2 H 1.560 0.030 2 140 18 18 ARG HG3 H 1.728 0.030 2 141 18 18 ARG HD2 H 3.234 0.030 1 142 18 18 ARG HD3 H 3.234 0.030 1 143 18 18 ARG C C 178.641 0.300 1 144 18 18 ARG CA C 58.234 0.300 1 145 18 18 ARG CB C 30.268 0.300 1 146 18 18 ARG CG C 27.353 0.300 1 147 18 18 ARG CD C 43.332 0.300 1 148 18 18 ARG N N 117.663 0.300 1 149 19 19 GLU H H 7.817 0.030 1 150 19 19 GLU HA H 3.830 0.030 1 151 19 19 GLU HB2 H 1.352 0.030 2 152 19 19 GLU HB3 H 1.460 0.030 2 153 19 19 GLU HG2 H 1.795 0.030 2 154 19 19 GLU HG3 H 1.659 0.030 2 155 19 19 GLU C C 177.983 0.300 1 156 19 19 GLU CA C 58.411 0.300 1 157 19 19 GLU CB C 30.232 0.300 1 158 19 19 GLU CG C 35.080 0.300 1 159 19 19 GLU N N 118.849 0.300 1 160 20 20 LEU H H 8.183 0.030 1 161 20 20 LEU HA H 4.923 0.030 1 162 20 20 LEU HB2 H 1.729 0.030 2 163 20 20 LEU HB3 H 1.637 0.030 2 164 20 20 LEU HG H 1.393 0.030 1 165 20 20 LEU HD1 H 0.853 0.030 1 166 20 20 LEU HD2 H 0.849 0.030 1 167 20 20 LEU C C 177.968 0.300 1 168 20 20 LEU CA C 53.354 0.300 1 169 20 20 LEU CB C 40.980 0.300 1 170 20 20 LEU CG C 27.078 0.300 1 171 20 20 LEU CD1 C 28.499 0.300 2 172 20 20 LEU CD2 C 22.960 0.300 2 173 20 20 LEU N N 114.950 0.300 1 174 21 21 ALA H H 6.988 0.030 1 175 21 21 ALA HA H 4.204 0.030 1 176 21 21 ALA HB H 1.608 0.030 1 177 21 21 ALA C C 180.561 0.300 1 178 21 21 ALA CA C 56.148 0.300 1 179 21 21 ALA CB C 19.143 0.300 1 180 21 21 ALA N N 123.566 0.300 1 181 22 22 GLU H H 8.715 0.030 1 182 22 22 GLU HA H 4.406 0.030 1 183 22 22 GLU HB2 H 2.221 0.030 2 184 22 22 GLU HB3 H 1.869 0.030 2 185 22 22 GLU HG2 H 2.242 0.030 2 186 22 22 GLU HG3 H 2.316 0.030 2 187 22 22 GLU C C 177.180 0.300 1 188 22 22 GLU CA C 56.961 0.300 1 189 22 22 GLU CB C 29.325 0.300 1 190 22 22 GLU CG C 36.535 0.300 1 191 22 22 GLU N N 114.938 0.300 1 192 23 23 ASP H H 7.791 0.030 1 193 23 23 ASP HA H 4.859 0.030 1 194 23 23 ASP HB2 H 2.928 0.030 2 195 23 23 ASP HB3 H 2.375 0.030 2 196 23 23 ASP C C 175.117 0.300 1 197 23 23 ASP CA C 54.910 0.300 1 198 23 23 ASP CB C 42.876 0.300 1 199 23 23 ASP N N 118.528 0.300 1 200 24 24 GLY H H 8.149 0.030 1 201 24 24 GLY HA2 H 4.342 0.030 2 202 24 24 GLY HA3 H 3.792 0.030 2 203 24 24 GLY C C 176.464 0.300 1 204 24 24 GLY CA C 46.459 0.300 1 205 24 24 GLY N N 108.434 0.300 1 206 25 25 TYR H H 7.668 0.030 1 207 25 25 TYR HA H 4.204 0.030 1 208 25 25 TYR HB2 H 2.670 0.030 2 209 25 25 TYR HB3 H 2.990 0.030 2 210 25 25 TYR HD1 H 6.838 0.030 1 211 25 25 TYR HD2 H 6.838 0.030 1 212 25 25 TYR HE1 H 6.666 0.030 1 213 25 25 TYR HE2 H 6.666 0.030 1 214 25 25 TYR C C 175.829 0.300 1 215 25 25 TYR CA C 59.896 0.300 1 216 25 25 TYR CB C 39.003 0.300 1 217 25 25 TYR CD1 C 131.918 0.300 1 218 25 25 TYR CD2 C 131.918 0.300 1 219 25 25 TYR CE1 C 119.342 0.300 1 220 25 25 TYR CE2 C 119.342 0.300 1 221 25 25 TYR N N 120.679 0.300 1 222 26 26 SER H H 8.862 0.030 1 223 26 26 SER HA H 4.512 0.030 1 224 26 26 SER HB2 H 3.588 0.030 2 225 26 26 SER HB3 H 3.322 0.030 2 226 26 26 SER C C 173.003 0.300 1 227 26 26 SER CA C 57.775 0.300 1 228 26 26 SER CB C 65.207 0.300 1 229 26 26 SER N N 122.694 0.300 1 230 27 27 GLY H H 6.257 0.030 1 231 27 27 GLY HA2 H 4.193 0.030 2 232 27 27 GLY HA3 H 3.610 0.030 2 233 27 27 GLY C C 169.062 0.300 1 234 27 27 GLY CA C 45.115 0.300 1 235 27 27 GLY N N 108.061 0.300 1 236 28 28 VAL H H 8.036 0.030 1 237 28 28 VAL HA H 5.560 0.030 1 238 28 28 VAL HB H 2.450 0.030 1 239 28 28 VAL HG1 H 0.804 0.030 1 240 28 28 VAL HG2 H 0.815 0.030 1 241 28 28 VAL C C 173.421 0.300 1 242 28 28 VAL CA C 58.411 0.300 1 243 28 28 VAL CB C 34.989 0.300 1 244 28 28 VAL CG1 C 22.637 0.300 2 245 28 28 VAL CG2 C 19.670 0.300 2 246 28 28 VAL N N 113.595 0.300 1 247 29 29 GLU H H 8.998 0.030 1 248 29 29 GLU HA H 4.698 0.030 1 249 29 29 GLU HB2 H 1.815 0.030 2 250 29 29 GLU HB3 H 1.960 0.030 2 251 29 29 GLU HG2 H 2.202 0.030 2 252 29 29 GLU HG3 H 2.102 0.030 2 253 29 29 GLU C C 174.688 0.300 1 254 29 29 GLU CA C 54.309 0.300 1 255 29 29 GLU CB C 32.575 0.300 1 256 29 29 GLU CG C 35.668 0.300 1 257 29 29 GLU N N 125.739 0.300 1 258 30 30 VAL H H 8.764 0.030 1 259 30 30 VAL HA H 4.893 0.030 1 260 30 30 VAL HB H 2.003 0.030 1 261 30 30 VAL HG1 H 0.830 0.030 1 262 30 30 VAL HG2 H 0.948 0.030 1 263 30 30 VAL C C 175.282 0.300 1 264 30 30 VAL CA C 61.063 0.300 1 265 30 30 VAL CB C 34.223 0.300 1 266 30 30 VAL CG1 C 21.542 0.300 2 267 30 30 VAL CG2 C 21.779 0.300 2 268 30 30 VAL N N 122.674 0.300 1 269 31 31 ARG H H 9.476 0.030 1 270 31 31 ARG HA H 4.809 0.030 1 271 31 31 ARG HB2 H 1.847 0.030 1 272 31 31 ARG HB3 H 1.847 0.030 1 273 31 31 ARG HG2 H 1.510 0.030 1 274 31 31 ARG HG3 H 1.510 0.030 1 275 31 31 ARG HD2 H 3.164 0.030 2 276 31 31 ARG HD3 H 3.104 0.030 2 277 31 31 ARG C C 174.319 0.300 1 278 31 31 ARG CA C 55.087 0.300 1 279 31 31 ARG CB C 32.575 0.300 1 280 31 31 ARG CG C 27.488 0.300 1 281 31 31 ARG CD C 43.743 0.300 1 282 31 31 ARG N N 129.047 0.300 1 283 32 32 VAL H H 8.873 0.030 1 284 32 32 VAL HA H 4.533 0.030 1 285 32 32 VAL HB H 2.019 0.030 1 286 32 32 VAL HG1 H 0.921 0.030 1 287 32 32 VAL HG2 H 0.998 0.030 1 288 32 32 VAL C C 176.003 0.300 1 289 32 32 VAL CA C 62.831 0.300 1 290 32 32 VAL CB C 32.905 0.300 1 291 32 32 VAL CG1 C 21.459 0.300 2 292 32 32 VAL CG2 C 21.171 0.300 2 293 32 32 VAL N N 125.654 0.300 1 294 33 33 THR H H 8.655 0.030 1 295 33 33 THR HA H 5.066 0.030 1 296 33 33 THR HB H 4.715 0.030 1 297 33 33 THR HG2 H 1.162 0.030 1 298 33 33 THR C C 176.003 0.300 1 299 33 33 THR CA C 59.109 0.300 1 300 33 33 THR CB C 68.750 0.300 1 301 33 33 THR CG2 C 21.284 0.300 1 302 33 33 THR N N 121.658 0.300 1 303 34 34 PRO HA H 4.360 0.030 1 304 34 34 PRO HB2 H 2.500 0.030 2 305 34 34 PRO HB3 H 1.917 0.030 2 306 34 34 PRO HG2 H 2.197 0.030 2 307 34 34 PRO HG3 H 2.011 0.030 2 308 34 34 PRO HD2 H 3.851 0.030 2 309 34 34 PRO HD3 H 3.978 0.030 2 310 34 34 PRO C C 177.535 0.300 1 311 34 34 PRO CA C 65.590 0.300 1 312 34 34 PRO CB C 32.493 0.300 1 313 34 34 PRO CG C 28.220 0.300 1 314 34 34 PRO CD C 50.779 0.300 1 315 35 35 THR H H 7.694 0.030 1 316 35 35 THR HA H 4.503 0.030 1 317 35 35 THR HB H 4.284 0.030 1 318 35 35 THR HG2 H 1.152 0.030 1 319 35 35 THR C C 174.498 0.300 1 320 35 35 THR CA C 61.311 0.300 1 321 35 35 THR CB C 70.399 0.300 1 322 35 35 THR CG2 C 22.035 0.300 1 323 35 35 THR N N 134.148 0.300 1 324 36 36 ARG H H 7.616 0.030 1 325 36 36 ARG HA H 4.856 0.030 1 326 36 36 ARG HB2 H 1.876 0.030 2 327 36 36 ARG HB3 H 1.532 0.030 2 328 36 36 ARG HG2 H 1.465 0.030 2 329 36 36 ARG HG3 H 1.335 0.030 2 330 36 36 ARG HD2 H 3.003 0.030 2 331 36 36 ARG HD3 H 3.078 0.030 2 332 36 36 ARG HE H 7.675 0.030 1 333 36 36 ARG C C 174.582 0.300 1 334 36 36 ARG CA C 55.830 0.300 1 335 36 36 ARG CB C 33.069 0.300 1 336 36 36 ARG CG C 26.219 0.300 1 337 36 36 ARG CD C 43.809 0.300 1 338 36 36 ARG N N 120.132 0.300 1 339 36 36 ARG NE N 84.660 0.300 1 340 37 37 THR H H 8.561 0.030 1 341 37 37 THR HA H 4.833 0.030 1 342 37 37 THR HB H 3.725 0.030 1 343 37 37 THR HG2 H 1.034 0.030 1 344 37 37 THR C C 172.620 0.300 1 345 37 37 THR CA C 63.468 0.300 1 346 37 37 THR CB C 69.739 0.300 1 347 37 37 THR CG2 C 21.126 0.300 1 348 37 37 THR N N 120.547 0.300 1 349 38 38 GLU H H 9.327 0.030 1 350 38 38 GLU HA H 5.083 0.030 1 351 38 38 GLU HB2 H 2.169 0.030 2 352 38 38 GLU HB3 H 1.880 0.030 2 353 38 38 GLU HG2 H 2.288 0.030 2 354 38 38 GLU HG3 H 2.165 0.030 2 355 38 38 GLU C C 174.616 0.300 1 356 38 38 GLU CA C 54.627 0.300 1 357 38 38 GLU CB C 31.586 0.300 1 358 38 38 GLU CG C 36.687 0.300 1 359 38 38 GLU N N 127.054 0.300 1 360 39 39 ILE H H 8.994 0.030 1 361 39 39 ILE HA H 4.686 0.030 1 362 39 39 ILE HB H 1.865 0.030 1 363 39 39 ILE HG12 H 1.498 0.030 2 364 39 39 ILE HG13 H 0.983 0.030 2 365 39 39 ILE HG2 H 0.793 0.030 1 366 39 39 ILE HD1 H 0.771 0.030 1 367 39 39 ILE C C 173.383 0.300 1 368 39 39 ILE CA C 60.285 0.300 1 369 39 39 ILE CB C 39.579 0.300 1 370 39 39 ILE CG1 C 27.758 0.300 1 371 39 39 ILE CG2 C 18.002 0.300 1 372 39 39 ILE CD1 C 14.328 0.300 1 373 39 39 ILE N N 124.714 0.300 1 374 40 40 ILE H H 9.357 0.030 1 375 40 40 ILE HA H 4.460 0.030 1 376 40 40 ILE HB H 1.871 0.030 1 377 40 40 ILE HG12 H 1.279 0.030 2 378 40 40 ILE HG13 H 1.075 0.030 2 379 40 40 ILE HG2 H 0.685 0.030 1 380 40 40 ILE HD1 H 0.671 0.030 1 381 40 40 ILE C C 174.673 0.300 1 382 40 40 ILE CA C 60.639 0.300 1 383 40 40 ILE CB C 38.426 0.300 1 384 40 40 ILE CG1 C 28.404 0.300 1 385 40 40 ILE CG2 C 18.906 0.300 1 386 40 40 ILE CD1 C 13.771 0.300 1 387 40 40 ILE N N 128.557 0.300 1 388 41 41 ILE H H 9.217 0.030 1 389 41 41 ILE HA H 4.143 0.030 1 390 41 41 ILE HB H 1.987 0.030 1 391 41 41 ILE HG12 H 0.995 0.030 2 392 41 41 ILE HG13 H 1.899 0.030 2 393 41 41 ILE HG2 H 1.019 0.030 1 394 41 41 ILE HD1 H 0.829 0.030 1 395 41 41 ILE C C 173.938 0.300 1 396 41 41 ILE CA C 61.983 0.300 1 397 41 41 ILE CB C 39.250 0.300 1 398 41 41 ILE CG1 C 28.539 0.300 1 399 41 41 ILE CG2 C 18.113 0.300 1 400 41 41 ILE CD1 C 14.483 0.300 1 401 41 41 ILE N N 127.795 0.300 1 402 42 42 LEU H H 8.680 0.030 1 403 42 42 LEU HA H 5.138 0.030 1 404 42 42 LEU HB2 H 1.424 0.030 2 405 42 42 LEU HB3 H 0.978 0.030 2 406 42 42 LEU HG H 1.430 0.030 1 407 42 42 LEU HD1 H 0.648 0.030 1 408 42 42 LEU HD2 H 0.615 0.030 1 409 42 42 LEU C C 176.067 0.300 1 410 42 42 LEU CA C 53.248 0.300 1 411 42 42 LEU CB C 41.145 0.300 1 412 42 42 LEU CG C 27.165 0.300 1 413 42 42 LEU CD1 C 24.971 0.300 2 414 42 42 LEU CD2 C 23.789 0.300 2 415 42 42 LEU N N 128.853 0.300 1 416 43 43 ALA H H 8.462 0.030 1 417 43 43 ALA HA H 4.996 0.030 1 418 43 43 ALA HB H 1.236 0.030 1 419 43 43 ALA C C 176.543 0.300 1 420 43 43 ALA CA C 50.667 0.300 1 421 43 43 ALA CB C 21.698 0.300 1 422 43 43 ALA N N 124.815 0.300 1 423 44 44 THR H H 8.427 0.030 1 424 44 44 THR HA H 4.501 0.030 1 425 44 44 THR HB H 4.300 0.030 1 426 44 44 THR HG2 H 1.274 0.030 1 427 44 44 THR C C 176.484 0.300 1 428 44 44 THR CA C 63.963 0.300 1 429 44 44 THR CB C 68.668 0.300 1 430 44 44 THR CG2 C 22.639 0.300 1 431 44 44 THR N N 112.641 0.300 1 432 45 45 ARG H H 7.576 0.030 1 433 45 45 ARG HA H 4.898 0.030 1 434 45 45 ARG HB2 H 1.879 0.030 1 435 45 45 ARG HB3 H 1.879 0.030 1 436 45 45 ARG HG2 H 1.615 0.030 2 437 45 45 ARG HG3 H 1.567 0.030 2 438 45 45 ARG HD2 H 3.191 0.030 2 439 45 45 ARG HD3 H 3.285 0.030 2 440 45 45 ARG C C 176.484 0.300 1 441 45 45 ARG CA C 54.495 0.300 1 442 45 45 ARG CB C 28.950 0.300 1 443 45 45 ARG CG C 26.947 0.300 1 444 45 45 ARG CD C 43.710 0.300 1 445 45 45 ARG N N 121.550 0.300 1 446 46 46 THR HA H 3.671 0.030 1 447 46 46 THR HB H 4.070 0.030 1 448 46 46 THR HG2 H 1.112 0.030 1 449 46 46 THR C C 177.087 0.300 1 450 46 46 THR CA C 65.514 0.300 1 451 46 46 THR CB C 68.325 0.300 1 452 46 46 THR CG2 C 23.315 0.300 1 453 47 47 GLN H H 9.111 0.030 1 454 47 47 GLN HA H 4.116 0.030 1 455 47 47 GLN HB2 H 2.132 0.030 1 456 47 47 GLN HB3 H 2.132 0.030 1 457 47 47 GLN HG2 H 2.500 0.030 1 458 47 47 GLN HG3 H 2.500 0.030 1 459 47 47 GLN HE21 H 7.587 0.030 2 460 47 47 GLN HE22 H 6.925 0.030 2 461 47 47 GLN C C 178.148 0.300 1 462 47 47 GLN CA C 59.048 0.300 1 463 47 47 GLN CB C 27.466 0.300 1 464 47 47 GLN CG C 33.513 0.300 1 465 47 47 GLN N N 121.207 0.300 1 466 47 47 GLN NE2 N 112.713 0.300 1 467 48 48 ASN H H 7.677 0.030 1 468 48 48 ASN HA H 4.527 0.030 1 469 48 48 ASN HB2 H 2.876 0.030 2 470 48 48 ASN HB3 H 2.935 0.030 2 471 48 48 ASN HD21 H 6.914 0.030 2 472 48 48 ASN HD22 H 8.331 0.030 2 473 48 48 ASN C C 177.576 0.300 1 474 48 48 ASN CA C 54.557 0.300 1 475 48 48 ASN CB C 38.168 0.300 1 476 48 48 ASN N N 117.954 0.300 1 477 48 48 ASN ND2 N 112.730 0.300 1 478 49 49 VAL H H 7.371 0.030 1 479 49 49 VAL HA H 3.480 0.030 1 480 49 49 VAL HB H 2.054 0.030 1 481 49 49 VAL HG1 H 0.808 0.030 1 482 49 49 VAL HG2 H 0.926 0.030 1 483 49 49 VAL C C 174.539 0.300 1 484 49 49 VAL CA C 65.943 0.300 1 485 49 49 VAL CB C 31.504 0.300 1 486 49 49 VAL CG1 C 21.850 0.300 2 487 49 49 VAL CG2 C 22.530 0.300 2 488 49 49 VAL N N 121.223 0.300 1 489 50 50 LEU H H 7.626 0.030 1 490 50 50 LEU HA H 3.995 0.030 1 491 50 50 LEU HB2 H 1.604 0.030 2 492 50 50 LEU HB3 H 1.867 0.030 2 493 50 50 LEU HG H 1.750 0.030 1 494 50 50 LEU HD1 H 0.969 0.030 1 495 50 50 LEU HD2 H 0.977 0.030 1 496 50 50 LEU C C 180.325 0.300 1 497 50 50 LEU CA C 57.704 0.300 1 498 50 50 LEU CB C 43.040 0.300 1 499 50 50 LEU CG C 27.299 0.300 1 500 50 50 LEU CD1 C 25.232 0.300 2 501 50 50 LEU CD2 C 23.413 0.300 2 502 50 50 LEU N N 114.666 0.300 1 503 51 51 GLY H H 7.684 0.030 1 504 51 51 GLY HA2 H 4.040 0.030 2 505 51 51 GLY HA3 H 3.970 0.030 2 506 51 51 GLY C C 173.698 0.300 1 507 51 51 GLY CA C 44.231 0.300 1 508 51 51 GLY N N 103.124 0.300 1 509 52 52 GLU H H 8.790 0.030 1 510 52 52 GLU HA H 4.148 0.030 1 511 52 52 GLU HB2 H 2.027 0.030 1 512 52 52 GLU HB3 H 2.027 0.030 1 513 52 52 GLU HG2 H 2.260 0.030 2 514 52 52 GLU HG3 H 2.315 0.030 2 515 52 52 GLU C C 173.698 0.300 1 516 52 52 GLU CA C 58.038 0.300 1 517 52 52 GLU CB C 29.280 0.300 1 518 52 52 GLU CG C 36.228 0.300 1 519 52 52 GLU N N 122.250 0.300 1 520 53 53 LYS H H 9.491 0.030 1 521 53 53 LYS HA H 4.018 0.030 1 522 53 53 LYS HB2 H 2.125 0.030 2 523 53 53 LYS HB3 H 1.921 0.030 2 524 53 53 LYS HG2 H 1.516 0.030 2 525 53 53 LYS HG3 H 1.461 0.030 2 526 53 53 LYS HD2 H 1.765 0.030 2 527 53 53 LYS HD3 H 1.698 0.030 2 528 53 53 LYS HE2 H 3.052 0.030 1 529 53 53 LYS HE3 H 3.052 0.030 1 530 53 53 LYS C C 176.793 0.300 1 531 53 53 LYS CA C 57.209 0.300 1 532 53 53 LYS CB C 30.432 0.300 1 533 53 53 LYS CG C 25.534 0.300 1 534 53 53 LYS CD C 29.326 0.300 1 535 53 53 LYS CE C 42.333 0.300 1 536 53 53 LYS N N 124.168 0.300 1 537 54 54 GLY H H 7.870 0.030 1 538 54 54 GLY HA2 H 3.746 0.030 2 539 54 54 GLY HA3 H 4.092 0.030 2 540 54 54 GLY C C 176.263 0.300 1 541 54 54 GLY CA C 46.388 0.300 1 542 54 54 GLY N N 105.639 0.300 1 543 55 55 ARG H H 7.903 0.030 1 544 55 55 ARG HA H 3.935 0.030 1 545 55 55 ARG HB2 H 2.047 0.030 2 546 55 55 ARG HB3 H 1.892 0.030 2 547 55 55 ARG HG2 H 1.741 0.030 1 548 55 55 ARG HG3 H 1.741 0.030 1 549 55 55 ARG HD2 H 3.249 0.030 1 550 55 55 ARG HD3 H 3.249 0.030 1 551 55 55 ARG C C 178.415 0.300 1 552 55 55 ARG CA C 59.684 0.300 1 553 55 55 ARG CB C 30.350 0.300 1 554 55 55 ARG CG C 27.117 0.300 1 555 55 55 ARG CD C 43.617 0.300 1 556 55 55 ARG N N 118.738 0.300 1 557 56 56 ARG H H 8.122 0.030 1 558 56 56 ARG HA H 4.249 0.030 1 559 56 56 ARG HB2 H 1.715 0.030 2 560 56 56 ARG HB3 H 1.765 0.030 2 561 56 56 ARG HG2 H 1.717 0.030 2 562 56 56 ARG HG3 H 1.688 0.030 2 563 56 56 ARG HD2 H 3.326 0.030 2 564 56 56 ARG HD3 H 3.146 0.030 2 565 56 56 ARG HE H 7.292 0.030 1 566 56 56 ARG C C 179.072 0.300 1 567 56 56 ARG CA C 59.295 0.300 1 568 56 56 ARG CB C 28.986 0.300 1 569 56 56 ARG CG C 27.864 0.300 1 570 56 56 ARG CD C 43.471 0.300 1 571 56 56 ARG N N 120.086 0.300 1 572 56 56 ARG NE N 85.220 0.300 1 573 57 57 ILE H H 7.771 0.030 1 574 57 57 ILE HA H 4.122 0.030 1 575 57 57 ILE HB H 2.040 0.030 1 576 57 57 ILE HG12 H 1.285 0.030 2 577 57 57 ILE HG13 H 1.376 0.030 2 578 57 57 ILE HG2 H 1.103 0.030 1 579 57 57 ILE HD1 H 0.689 0.030 1 580 57 57 ILE C C 178.787 0.300 1 581 57 57 ILE CA C 64.034 0.300 1 582 57 57 ILE CB C 38.096 0.300 1 583 57 57 ILE CG1 C 30.345 0.300 1 584 57 57 ILE CG2 C 17.095 0.300 1 585 57 57 ILE CD1 C 14.005 0.300 1 586 57 57 ILE N N 120.818 0.300 1 587 58 58 ARG H H 7.889 0.030 1 588 58 58 ARG HA H 4.154 0.030 1 589 58 58 ARG HB2 H 2.035 0.030 2 590 58 58 ARG HB3 H 1.983 0.030 2 591 58 58 ARG HG2 H 1.675 0.030 2 592 58 58 ARG HG3 H 1.919 0.030 2 593 58 58 ARG HD2 H 3.256 0.030 1 594 58 58 ARG HD3 H 3.256 0.030 1 595 58 58 ARG C C 179.363 0.300 1 596 58 58 ARG CA C 60.250 0.300 1 597 58 58 ARG CB C 29.892 0.300 1 598 58 58 ARG CG C 27.747 0.300 1 599 58 58 ARG CD C 43.363 0.300 1 600 58 58 ARG N N 125.244 0.300 1 601 59 59 GLU H H 7.945 0.030 1 602 59 59 GLU HA H 4.203 0.030 1 603 59 59 GLU HB2 H 2.219 0.030 2 604 59 59 GLU HB3 H 2.340 0.030 2 605 59 59 GLU HG2 H 2.540 0.030 2 606 59 59 GLU HG3 H 2.316 0.030 2 607 59 59 GLU C C 179.675 0.300 1 608 59 59 GLU CA C 59.613 0.300 1 609 59 59 GLU CB C 29.325 0.300 1 610 59 59 GLU CG C 36.461 0.300 1 611 59 59 GLU N N 122.650 0.300 1 612 60 60 LEU H H 8.900 0.030 1 613 60 60 LEU HA H 4.187 0.030 1 614 60 60 LEU HB2 H 1.851 0.030 2 615 60 60 LEU HB3 H 1.405 0.030 2 616 60 60 LEU HG H 1.811 0.030 1 617 60 60 LEU HD1 H 0.852 0.030 1 618 60 60 LEU HD2 H 0.833 0.030 1 619 60 60 LEU C C 178.568 0.300 1 620 60 60 LEU CA C 57.598 0.300 1 621 60 60 LEU CB C 42.463 0.300 1 622 60 60 LEU CG C 26.836 0.300 1 623 60 60 LEU CD1 C 24.788 0.300 2 624 60 60 LEU CD2 C 24.088 0.300 2 625 60 60 LEU N N 120.306 0.300 1 626 61 61 THR H H 8.196 0.030 1 627 61 61 THR HA H 3.682 0.030 1 628 61 61 THR HB H 4.537 0.030 1 629 61 61 THR HG2 H 1.208 0.030 1 630 61 61 THR C C 175.031 0.300 1 631 61 61 THR CA C 67.888 0.300 1 632 61 61 THR CB C 68.741 0.300 1 633 61 61 THR CG2 C 21.033 0.300 1 634 61 61 THR N N 116.817 0.300 1 635 62 62 ALA H H 7.388 0.030 1 636 62 62 ALA HA H 4.190 0.030 1 637 62 62 ALA HB H 1.608 0.030 1 638 62 62 ALA C C 180.498 0.300 1 639 62 62 ALA CA C 55.370 0.300 1 640 62 62 ALA CB C 17.825 0.300 1 641 62 62 ALA N N 123.284 0.300 1 642 63 63 VAL H H 7.947 0.030 1 643 63 63 VAL HA H 3.739 0.030 1 644 63 63 VAL HB H 2.356 0.030 1 645 63 63 VAL HG1 H 1.210 0.030 1 646 63 63 VAL HG2 H 1.019 0.030 1 647 63 63 VAL C C 178.657 0.300 1 648 63 63 VAL CA C 66.650 0.300 1 649 63 63 VAL CB C 31.751 0.300 1 650 63 63 VAL CG1 C 22.660 0.300 2 651 63 63 VAL CG2 C 21.737 0.300 2 652 63 63 VAL N N 119.114 0.300 1 653 64 64 VAL H H 8.665 0.030 1 654 64 64 VAL HA H 3.602 0.030 1 655 64 64 VAL HB H 2.356 0.030 1 656 64 64 VAL HG1 H 1.079 0.030 1 657 64 64 VAL HG2 H 1.177 0.030 1 658 64 64 VAL C C 177.834 0.300 1 659 64 64 VAL CA C 67.287 0.300 1 660 64 64 VAL CB C 31.586 0.300 1 661 64 64 VAL CG1 C 21.594 0.300 2 662 64 64 VAL CG2 C 24.115 0.300 2 663 64 64 VAL N N 121.157 0.300 1 664 65 65 GLN H H 8.752 0.030 1 665 65 65 GLN HA H 4.176 0.030 1 666 65 65 GLN HB2 H 2.301 0.030 2 667 65 65 GLN HB3 H 2.402 0.030 2 668 65 65 GLN HG2 H 2.387 0.030 2 669 65 65 GLN HG3 H 2.470 0.030 2 670 65 65 GLN HE21 H 7.423 0.030 2 671 65 65 GLN HE22 H 7.244 0.030 2 672 65 65 GLN C C 177.864 0.300 1 673 65 65 GLN CA C 60.285 0.300 1 674 65 65 GLN CB C 28.768 0.300 1 675 65 65 GLN CG C 34.173 0.300 1 676 65 65 GLN N N 118.818 0.300 1 677 65 65 GLN NE2 N 111.467 0.300 1 678 66 66 LYS H H 7.697 0.030 1 679 66 66 LYS HA H 4.113 0.030 1 680 66 66 LYS HB2 H 1.915 0.030 1 681 66 66 LYS HB3 H 1.915 0.030 1 682 66 66 LYS HG2 H 1.479 0.030 2 683 66 66 LYS HG3 H 1.561 0.030 2 684 66 66 LYS HD2 H 1.707 0.030 1 685 66 66 LYS HD3 H 1.707 0.030 1 686 66 66 LYS HE2 H 2.998 0.030 1 687 66 66 LYS HE3 H 2.998 0.030 1 688 66 66 LYS C C 179.342 0.300 1 689 66 66 LYS CA C 58.729 0.300 1 690 66 66 LYS CB C 32.822 0.300 1 691 66 66 LYS CG C 25.004 0.300 1 692 66 66 LYS CD C 29.089 0.300 1 693 66 66 LYS CE C 42.237 0.300 1 694 66 66 LYS N N 116.771 0.300 1 695 67 67 ARG H H 8.717 0.030 1 696 67 67 ARG HA H 3.850 0.030 1 697 67 67 ARG HB2 H 1.478 0.030 2 698 67 67 ARG HB3 H 1.099 0.030 2 699 67 67 ARG HG2 H 0.400 0.030 2 700 67 67 ARG HG3 H 0.645 0.030 2 701 67 67 ARG HD2 H 2.274 0.030 2 702 67 67 ARG HD3 H 2.555 0.030 2 703 67 67 ARG C C 177.783 0.300 1 704 67 67 ARG CA C 58.411 0.300 1 705 67 67 ARG CB C 29.856 0.300 1 706 67 67 ARG CG C 26.811 0.300 1 707 67 67 ARG CD C 42.281 0.300 1 708 67 67 ARG N N 119.370 0.300 1 709 68 68 PHE H H 7.838 0.030 1 710 68 68 PHE HA H 4.655 0.030 1 711 68 68 PHE HB2 H 3.231 0.030 2 712 68 68 PHE HB3 H 2.860 0.030 2 713 68 68 PHE HD1 H 7.656 0.030 1 714 68 68 PHE HD2 H 7.656 0.030 1 715 68 68 PHE HE1 H 7.096 0.030 1 716 68 68 PHE HE2 H 7.096 0.030 1 717 68 68 PHE HZ H 6.924 0.030 1 718 68 68 PHE C C 175.292 0.300 1 719 68 68 PHE CA C 57.916 0.300 1 720 68 68 PHE CB C 39.332 0.300 1 721 68 68 PHE CD1 C 132.470 0.300 1 722 68 68 PHE CD2 C 132.470 0.300 1 723 68 68 PHE CE1 C 130.918 0.300 1 724 68 68 PHE CE2 C 130.918 0.300 1 725 68 68 PHE CZ C 128.445 0.300 1 726 68 68 PHE N N 111.880 0.300 1 727 69 69 GLY H H 7.399 0.030 1 728 69 69 GLY HA2 H 3.880 0.030 2 729 69 69 GLY HA3 H 3.810 0.030 2 730 69 69 GLY C C 175.204 0.300 1 731 69 69 GLY CA C 47.201 0.300 1 732 69 69 GLY N N 108.363 0.300 1 733 70 70 PHE H H 8.124 0.030 1 734 70 70 PHE HA H 4.741 0.030 1 735 70 70 PHE HB2 H 3.099 0.030 2 736 70 70 PHE HB3 H 2.630 0.030 2 737 70 70 PHE HD1 H 7.212 0.030 1 738 70 70 PHE HD2 H 7.212 0.030 1 739 70 70 PHE HE1 H 7.030 0.030 1 740 70 70 PHE HE2 H 7.030 0.030 1 741 70 70 PHE HZ H 6.513 0.030 1 742 70 70 PHE C C 175.204 0.300 1 743 70 70 PHE CA C 56.143 0.300 1 744 70 70 PHE CB C 40.239 0.300 1 745 70 70 PHE CD1 C 131.707 0.300 1 746 70 70 PHE CD2 C 131.707 0.300 1 747 70 70 PHE CE1 C 131.002 0.300 1 748 70 70 PHE CE2 C 131.002 0.300 1 749 70 70 PHE CZ C 129.092 0.300 1 750 70 70 PHE N N 118.979 0.300 1 751 71 71 PRO HA H 4.489 0.030 1 752 71 71 PRO HB2 H 2.414 0.030 2 753 71 71 PRO HB3 H 1.888 0.030 2 754 71 71 PRO HG2 H 2.124 0.030 2 755 71 71 PRO HG3 H 2.053 0.030 2 756 71 71 PRO HD2 H 4.029 0.030 2 757 71 71 PRO HD3 H 3.916 0.030 2 758 71 71 PRO C C 177.621 0.300 1 759 71 71 PRO CA C 62.195 0.300 1 760 71 71 PRO CB C 32.163 0.300 1 761 71 71 PRO CG C 27.712 0.300 1 762 71 71 PRO CD C 51.193 0.300 1 763 72 72 GLU H H 8.959 0.030 1 764 72 72 GLU HA H 3.853 0.030 1 765 72 72 GLU HB2 H 2.048 0.030 2 766 72 72 GLU HB3 H 1.979 0.030 2 767 72 72 GLU HG2 H 2.309 0.030 1 768 72 72 GLU HG3 H 2.309 0.030 1 769 72 72 GLU C C 177.496 0.300 1 770 72 72 GLU CA C 58.659 0.300 1 771 72 72 GLU CB C 29.279 0.300 1 772 72 72 GLU CG C 36.042 0.300 1 773 72 72 GLU N N 124.828 0.300 1 774 73 73 GLY H H 8.731 0.030 1 775 73 73 GLY HA2 H 3.879 0.030 2 776 73 73 GLY HA3 H 4.342 0.030 2 777 73 73 GLY C C 175.197 0.300 1 778 73 73 GLY CA C 45.716 0.300 1 779 73 73 GLY N N 114.156 0.300 1 780 74 74 SER H H 8.066 0.030 1 781 74 74 SER HA H 4.656 0.030 1 782 74 74 SER HB2 H 4.209 0.030 2 783 74 74 SER HB3 H 3.863 0.030 2 784 74 74 SER C C 172.920 0.300 1 785 74 74 SER CA C 59.896 0.300 1 786 74 74 SER CB C 64.795 0.300 1 787 74 74 SER N N 113.768 0.300 1 788 75 75 VAL H H 7.524 0.030 1 789 75 75 VAL HA H 5.267 0.030 1 790 75 75 VAL HB H 1.174 0.030 1 791 75 75 VAL HG1 H 0.533 0.030 1 792 75 75 VAL HG2 H 0.311 0.030 1 793 75 75 VAL C C 172.700 0.300 1 794 75 75 VAL CA C 58.694 0.300 1 795 75 75 VAL CB C 34.223 0.300 1 796 75 75 VAL CG1 C 19.755 0.300 2 797 75 75 VAL CG2 C 21.732 0.300 2 798 75 75 VAL N N 120.462 0.300 1 799 76 76 GLU H H 8.277 0.030 1 800 76 76 GLU HA H 4.559 0.030 1 801 76 76 GLU HB2 H 1.723 0.030 1 802 76 76 GLU HB3 H 1.723 0.030 1 803 76 76 GLU HG2 H 1.964 0.030 1 804 76 76 GLU HG3 H 1.964 0.030 1 805 76 76 GLU C C 173.056 0.300 1 806 76 76 GLU CA C 55.122 0.300 1 807 76 76 GLU CB C 33.729 0.300 1 808 76 76 GLU CG C 35.567 0.300 1 809 76 76 GLU N N 126.553 0.300 1 810 77 77 LEU H H 8.209 0.030 1 811 77 77 LEU HA H 5.392 0.030 1 812 77 77 LEU HB2 H 1.458 0.030 1 813 77 77 LEU HB3 H 1.458 0.030 1 814 77 77 LEU HG H 1.740 0.030 1 815 77 77 LEU HD1 H 0.849 0.030 1 816 77 77 LEU HD2 H 0.809 0.030 1 817 77 77 LEU C C 174.822 0.300 1 818 77 77 LEU CA C 54.062 0.300 1 819 77 77 LEU CB C 44.112 0.300 1 820 77 77 LEU CG C 30.193 0.300 1 821 77 77 LEU CD1 C 24.682 0.300 2 822 77 77 LEU CD2 C 25.884 0.300 2 823 77 77 LEU N N 125.864 0.300 1 824 78 78 TYR H H 8.899 0.030 1 825 78 78 TYR HA H 4.637 0.030 1 826 78 78 TYR HB2 H 2.611 0.030 2 827 78 78 TYR HB3 H 3.179 0.030 2 828 78 78 TYR HD1 H 7.021 0.030 1 829 78 78 TYR HD2 H 7.021 0.030 1 830 78 78 TYR HE1 H 6.607 0.030 1 831 78 78 TYR HE2 H 6.607 0.030 1 832 78 78 TYR C C 173.818 0.300 1 833 78 78 TYR CA C 56.077 0.300 1 834 78 78 TYR CB C 42.124 0.300 1 835 78 78 TYR CD1 C 133.496 0.300 1 836 78 78 TYR CD2 C 133.496 0.300 1 837 78 78 TYR CE1 C 118.184 0.300 1 838 78 78 TYR CE2 C 118.184 0.300 1 839 78 78 TYR N N 117.886 0.300 1 840 79 79 ALA H H 8.850 0.030 1 841 79 79 ALA HA H 5.528 0.030 1 842 79 79 ALA HB H 1.197 0.030 1 843 79 79 ALA C C 175.708 0.300 1 844 79 79 ALA CA C 50.596 0.300 1 845 79 79 ALA CB C 20.956 0.300 1 846 79 79 ALA N N 122.947 0.300 1 847 80 80 GLU H H 9.191 0.030 1 848 80 80 GLU HA H 4.596 0.030 1 849 80 80 GLU HB2 H 1.626 0.030 2 850 80 80 GLU HB3 H 1.886 0.030 2 851 80 80 GLU HG2 H 2.078 0.030 2 852 80 80 GLU HG3 H 2.125 0.030 2 853 80 80 GLU C C 173.891 0.300 1 854 80 80 GLU CA C 54.733 0.300 1 855 80 80 GLU CB C 33.481 0.300 1 856 80 80 GLU CG C 36.063 0.300 1 857 80 80 GLU N N 124.075 0.300 1 858 81 81 LYS H H 8.447 0.030 1 859 81 81 LYS HA H 4.749 0.030 1 860 81 81 LYS HB2 H 1.779 0.030 2 861 81 81 LYS HB3 H 1.834 0.030 2 862 81 81 LYS HG2 H 1.489 0.030 2 863 81 81 LYS HG3 H 1.539 0.030 2 864 81 81 LYS HD2 H 1.771 0.030 1 865 81 81 LYS HD3 H 1.771 0.030 1 866 81 81 LYS HE2 H 3.121 0.030 1 867 81 81 LYS HE3 H 3.121 0.030 1 868 81 81 LYS C C 177.184 0.300 1 869 81 81 LYS CA C 56.042 0.300 1 870 81 81 LYS CB C 33.481 0.300 1 871 81 81 LYS CG C 25.161 0.300 1 872 81 81 LYS CD C 29.598 0.300 1 873 81 81 LYS CE C 42.305 0.300 1 874 81 81 LYS N N 123.484 0.300 1 875 82 82 VAL H H 7.662 0.030 1 876 82 82 VAL HA H 4.125 0.030 1 877 82 82 VAL HB H 1.915 0.030 1 878 82 82 VAL HG1 H 0.784 0.030 1 879 82 82 VAL HG2 H 0.862 0.030 1 880 82 82 VAL C C 175.154 0.300 1 881 82 82 VAL CA C 61.346 0.300 1 882 82 82 VAL CB C 33.481 0.300 1 883 82 82 VAL CG1 C 20.604 0.300 2 884 82 82 VAL CG2 C 21.510 0.300 2 885 82 82 VAL N N 122.188 0.300 1 886 83 83 ALA H H 8.425 0.030 1 887 83 83 ALA HA H 4.367 0.030 1 888 83 83 ALA HB H 1.395 0.030 1 889 83 83 ALA C C 177.840 0.300 1 890 83 83 ALA CA C 52.435 0.300 1 891 83 83 ALA CB C 19.473 0.300 1 892 83 83 ALA N N 126.764 0.300 1 893 84 84 THR H H 8.138 0.030 1 894 84 84 THR HA H 4.282 0.030 1 895 84 84 THR HB H 4.193 0.030 1 896 84 84 THR HG2 H 1.213 0.030 1 897 84 84 THR C C 174.548 0.300 1 898 84 84 THR CA C 61.841 0.300 1 899 84 84 THR CB C 69.822 0.300 1 900 84 84 THR CG2 C 21.594 0.300 1 901 84 84 THR N N 113.769 0.300 1 902 85 85 ARG H H 8.437 0.030 1 903 85 85 ARG CA C 56.307 0.300 1 904 85 85 ARG CB C 30.680 0.300 1 905 85 85 ARG N N 123.819 0.300 1 906 89 89 PRO HA H 4.365 0.030 1 907 89 89 PRO HB2 H 1.773 0.030 2 908 89 89 PRO HB3 H 1.880 0.030 2 909 89 89 PRO CA C 56.344 0.300 1 910 89 89 PRO CB C 30.798 0.300 1 911 89 89 PRO CG C 26.947 0.300 1 stop_ save_