data_11159 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Ring finger of human Retinoblastoma-binding protein 6 ; _BMRB_accession_number 11159 _BMRB_flat_file_name bmr11159.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Tomizawa T. . . 5 Koshiba S. . . 6 Harada T. . . 7 Watanabe S. . . 8 Kigawa T. . . 9 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" 357 "13C chemical shifts" 276 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Ring finger of human Retinoblastoma-binding protein 6' _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Tomizawa T. . . 5 Koshiba S. . . 6 Harada T. . . 7 Watanabe S. . . 8 Kigawa T. . . 9 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Retinoblastoma-binding protein 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UNP residues 249-309, C3HC4 domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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 'UNP residues 249-309, C3HC4 domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GSSGSSGEDDPIPDELLCLI CKDIMTDAVVIPCCGNSYCD ECIRTALLESDEHTCPTCHQ NDVSPDALSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 ASP 10 ASP 11 PRO 12 ILE 13 PRO 14 ASP 15 GLU 16 LEU 17 LEU 18 CYS 19 LEU 20 ILE 21 CYS 22 LYS 23 ASP 24 ILE 25 MET 26 THR 27 ASP 28 ALA 29 VAL 30 VAL 31 ILE 32 PRO 33 CYS 34 CYS 35 GLY 36 ASN 37 SER 38 TYR 39 CYS 40 ASP 41 GLU 42 CYS 43 ILE 44 ARG 45 THR 46 ALA 47 LEU 48 LEU 49 GLU 50 SER 51 ASP 52 GLU 53 HIS 54 THR 55 CYS 56 PRO 57 THR 58 CYS 59 HIS 60 GLN 61 ASN 62 ASP 63 VAL 64 SER 65 PRO 66 ASP 67 ALA 68 LEU 69 SER 70 GLY 71 PRO 72 SER 73 SER 74 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-27 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 17466 E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 82.43 92 100.00 100.00 1.86e-35 BMRB 17772 E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 82.43 92 100.00 100.00 1.86e-35 PDB 2YUR "Solution Structure Of The Ring Finger Of Human Retinoblastoma-Binding Protein 6" 100.00 74 100.00 100.00 1.72e-43 PDB 3ZTG "Solution Structure Of The Ring Finger-Like Domain Of Retinoblastoma Binding Protein-6 (Rbbp6)" 83.78 92 98.39 98.39 1.67e-35 DBJ BAC77636 "retinoblastoma binding protein 6 isoform 1 [Homo sapiens]" 89.19 1792 96.97 96.97 3.00e-35 DBJ BAC77637 "retinoblastoma binding protein 6 isoform 2 [Homo sapiens]" 89.19 1758 96.97 96.97 5.15e-35 DBJ BAG64162 "unnamed protein product [Homo sapiens]" 89.19 1008 96.97 96.97 4.52e-35 EMBL CAA59445 "RB protein binding protein [Homo sapiens]" 89.19 948 96.97 96.97 3.76e-36 GB AAB49620 "PACT [Mus musculus]" 75.68 1587 100.00 100.00 1.98e-30 GB AAC72432 "proliferation potential-related protein [Mus musculus]" 89.19 1560 96.97 96.97 1.07e-34 GB AAH63524 "RBBP6 protein, partial [Homo sapiens]" 89.19 919 96.97 96.97 5.22e-36 GB AAI72357 "Retinoblastoma binding protein 6 [synthetic construct]" 89.19 1792 96.97 96.97 3.00e-35 GB AAL05625 "proliferation potential-related protein [Homo sapiens]" 89.19 1616 96.97 96.97 1.33e-35 REF NP_001291483 "retinoblastoma binding protein 6 [Bos taurus]" 89.19 1797 96.97 96.97 4.46e-35 REF NP_008841 "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Homo sapiens]" 89.19 1792 96.97 96.97 3.00e-35 REF NP_035377 "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Mus musculus]" 89.19 1790 96.97 96.97 9.37e-35 REF NP_061173 "E3 ubiquitin-protein ligase RBBP6 isoform 2 [Homo sapiens]" 89.19 1758 96.97 96.97 5.15e-35 REF XP_001076339 "PREDICTED: E3 ubiquitin-protein ligase RBBP6 isoform X1 [Rattus norvegicus]" 89.19 1789 96.97 96.97 8.59e-35 SP P97868 "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" 89.19 1790 96.97 96.97 9.37e-35 SP Q7Z6E9 "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" 89.19 1792 96.97 96.97 3.00e-35 TPG DAA15466 "TPA: retinoblastoma binding protein 6 [Bos taurus]" 89.19 957 96.97 96.97 5.61e-36 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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_name $entity_1 'cell free synthesis' . Escherichia coli . P060731-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.18mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM Zncl2+1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.18 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9747 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task '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_ ############################# # 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' 120 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ 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 'UNP residues 249-309, C3HC4 domain' _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 4.002 0.030 1 2 7 7 GLY HA3 H 4.002 0.030 1 3 7 7 GLY C C 174.365 0.300 1 4 7 7 GLY CA C 45.466 0.300 1 5 8 8 GLU H H 8.309 0.030 1 6 8 8 GLU HA H 4.302 0.030 1 7 8 8 GLU HB2 H 1.892 0.030 2 8 8 8 GLU HB3 H 2.074 0.030 2 9 8 8 GLU HG2 H 2.245 0.030 1 10 8 8 GLU HG3 H 2.245 0.030 1 11 8 8 GLU C C 176.260 0.300 1 12 8 8 GLU CA C 56.592 0.300 1 13 8 8 GLU CB C 30.365 0.300 1 14 8 8 GLU CG C 36.226 0.300 1 15 8 8 GLU N N 120.407 0.300 1 16 9 9 ASP H H 8.359 0.030 1 17 9 9 ASP HA H 4.616 0.030 1 18 9 9 ASP HB2 H 2.555 0.030 2 19 9 9 ASP HB3 H 2.700 0.030 2 20 9 9 ASP C C 175.704 0.300 1 21 9 9 ASP CA C 54.236 0.300 1 22 9 9 ASP CB C 41.233 0.300 1 23 9 9 ASP N N 120.571 0.300 1 24 10 10 ASP H H 8.196 0.030 1 25 10 10 ASP HA H 4.833 0.030 1 26 10 10 ASP HB2 H 2.680 0.030 2 27 10 10 ASP HB3 H 2.478 0.030 2 28 10 10 ASP C C 174.050 0.300 1 29 10 10 ASP CA C 52.856 0.300 1 30 10 10 ASP CB C 40.484 0.300 1 31 10 10 ASP N N 121.946 0.300 1 32 11 11 PRO HA H 4.431 0.030 1 33 11 11 PRO HB2 H 1.836 0.030 2 34 11 11 PRO HB3 H 2.247 0.030 2 35 11 11 PRO HD2 H 3.675 0.030 2 36 11 11 PRO HD3 H 3.810 0.030 2 37 11 11 PRO HG2 H 2.003 0.030 1 38 11 11 PRO HG3 H 2.003 0.030 1 39 11 11 PRO C C 176.770 0.300 1 40 11 11 PRO CA C 62.828 0.300 1 41 11 11 PRO CB C 32.076 0.300 1 42 11 11 PRO CD C 50.530 0.300 1 43 11 11 PRO CG C 27.299 0.300 1 44 12 12 ILE H H 8.367 0.030 1 45 12 12 ILE HA H 4.384 0.030 1 46 12 12 ILE HB H 1.828 0.030 1 47 12 12 ILE HD1 H 0.879 0.030 1 48 12 12 ILE HG12 H 1.568 0.030 2 49 12 12 ILE HG13 H 1.212 0.030 2 50 12 12 ILE HG2 H 0.953 0.030 1 51 12 12 ILE C C 174.778 0.300 1 52 12 12 ILE CA C 58.653 0.300 1 53 12 12 ILE CB C 38.655 0.300 1 54 12 12 ILE CD1 C 12.768 0.300 1 55 12 12 ILE CG1 C 27.217 0.300 1 56 12 12 ILE CG2 C 17.271 0.300 1 57 12 12 ILE N N 123.754 0.300 1 58 13 13 PRO HA H 4.383 0.030 1 59 13 13 PRO HB2 H 2.322 0.030 2 60 13 13 PRO HB3 H 1.917 0.030 2 61 13 13 PRO HD2 H 3.911 0.030 2 62 13 13 PRO HD3 H 3.664 0.030 2 63 13 13 PRO HG2 H 1.989 0.030 2 64 13 13 PRO HG3 H 2.036 0.030 2 65 13 13 PRO C C 176.745 0.300 1 66 13 13 PRO CA C 63.278 0.300 1 67 13 13 PRO CB C 32.245 0.300 1 68 13 13 PRO CD C 51.149 0.300 1 69 13 13 PRO CG C 27.551 0.300 1 70 14 14 ASP H H 8.362 0.030 1 71 14 14 ASP HA H 4.392 0.030 1 72 14 14 ASP HB2 H 2.648 0.030 2 73 14 14 ASP HB3 H 2.552 0.030 2 74 14 14 ASP C C 177.152 0.300 1 75 14 14 ASP CA C 55.686 0.300 1 76 14 14 ASP CB C 41.202 0.300 1 77 14 14 ASP N N 121.359 0.300 1 78 15 15 GLU H H 8.618 0.030 1 79 15 15 GLU HA H 4.225 0.030 1 80 15 15 GLU HB2 H 1.992 0.030 2 81 15 15 GLU HB3 H 1.933 0.030 2 82 15 15 GLU HG2 H 2.237 0.030 2 83 15 15 GLU HG3 H 2.186 0.030 2 84 15 15 GLU C C 176.162 0.300 1 85 15 15 GLU CA C 57.134 0.300 1 86 15 15 GLU CB C 29.845 0.300 1 87 15 15 GLU CG C 36.186 0.300 1 88 15 15 GLU N N 119.353 0.300 1 89 16 16 LEU H H 8.110 0.030 1 90 16 16 LEU HA H 4.312 0.030 1 91 16 16 LEU HB2 H 1.602 0.030 1 92 16 16 LEU HB3 H 1.602 0.030 1 93 16 16 LEU HD1 H 0.908 0.030 1 94 16 16 LEU HD2 H 0.826 0.030 1 95 16 16 LEU HG H 1.561 0.030 1 96 16 16 LEU C C 175.803 0.300 1 97 16 16 LEU CA C 54.783 0.300 1 98 16 16 LEU CB C 42.380 0.300 1 99 16 16 LEU CD1 C 24.906 0.300 2 100 16 16 LEU CD2 C 23.227 0.300 2 101 16 16 LEU CG C 27.119 0.300 1 102 16 16 LEU N N 121.689 0.300 1 103 17 17 LEU H H 7.663 0.030 1 104 17 17 LEU HA H 4.520 0.030 1 105 17 17 LEU HB2 H 1.599 0.030 2 106 17 17 LEU HB3 H 0.977 0.030 2 107 17 17 LEU HD1 H 0.803 0.030 1 108 17 17 LEU HD2 H 0.622 0.030 1 109 17 17 LEU HG H 1.536 0.030 1 110 17 17 LEU C C 176.630 0.300 1 111 17 17 LEU CA C 53.223 0.300 1 112 17 17 LEU CB C 43.252 0.300 1 113 17 17 LEU CD1 C 25.320 0.300 2 114 17 17 LEU CD2 C 22.694 0.300 2 115 17 17 LEU CG C 26.398 0.300 1 116 17 17 LEU N N 120.498 0.300 1 117 18 18 CYS H H 8.756 0.030 1 118 18 18 CYS HA H 4.340 0.030 1 119 18 18 CYS HB2 H 3.592 0.030 2 120 18 18 CYS HB3 H 3.235 0.030 2 121 18 18 CYS C C 178.542 0.300 1 122 18 18 CYS CA C 60.037 0.300 1 123 18 18 CYS CB C 33.617 0.300 1 124 18 18 CYS N N 125.934 0.300 1 125 19 19 LEU H H 7.269 0.030 1 126 19 19 LEU HA H 4.144 0.030 1 127 19 19 LEU HB2 H 1.708 0.030 2 128 19 19 LEU HB3 H 1.677 0.030 2 129 19 19 LEU HD1 H 0.859 0.030 1 130 19 19 LEU HD2 H 0.869 0.030 1 131 19 19 LEU HG H 1.819 0.030 1 132 19 19 LEU C C 177.980 0.300 1 133 19 19 LEU CA C 57.574 0.300 1 134 19 19 LEU CB C 42.874 0.300 1 135 19 19 LEU CD1 C 25.155 0.300 2 136 19 19 LEU CD2 C 23.769 0.300 2 137 19 19 LEU CG C 27.428 0.300 1 138 19 19 LEU N N 128.213 0.300 1 139 20 20 ILE H H 9.404 0.030 1 140 20 20 ILE HA H 4.133 0.030 1 141 20 20 ILE HB H 1.911 0.030 1 142 20 20 ILE HD1 H 0.544 0.030 1 143 20 20 ILE HG12 H 1.087 0.030 2 144 20 20 ILE HG13 H 1.727 0.030 2 145 20 20 ILE HG2 H 0.983 0.030 1 146 20 20 ILE C C 176.748 0.300 1 147 20 20 ILE CA C 64.423 0.300 1 148 20 20 ILE CB C 39.689 0.300 1 149 20 20 ILE CD1 C 14.389 0.300 1 150 20 20 ILE CG1 C 28.490 0.300 1 151 20 20 ILE CG2 C 16.639 0.300 1 152 20 20 ILE N N 121.083 0.300 1 153 21 21 CYS H H 8.712 0.030 1 154 21 21 CYS HA H 4.710 0.030 1 155 21 21 CYS HB2 H 3.246 0.030 2 156 21 21 CYS HB3 H 3.126 0.030 2 157 21 21 CYS C C 176.278 0.300 1 158 21 21 CYS CA C 59.931 0.300 1 159 21 21 CYS CB C 31.499 0.300 1 160 21 21 CYS N N 120.118 0.300 1 161 22 22 LYS H H 7.779 0.030 1 162 22 22 LYS HA H 4.069 0.030 1 163 22 22 LYS HB2 H 2.008 0.030 2 164 22 22 LYS HB3 H 2.152 0.030 2 165 22 22 LYS HD2 H 1.669 0.030 2 166 22 22 LYS HD3 H 1.582 0.030 2 167 22 22 LYS HE2 H 2.984 0.030 1 168 22 22 LYS HE3 H 2.984 0.030 1 169 22 22 LYS HG2 H 1.341 0.030 2 170 22 22 LYS HG3 H 1.263 0.030 2 171 22 22 LYS C C 173.455 0.300 1 172 22 22 LYS CA C 57.253 0.300 1 173 22 22 LYS CB C 28.779 0.300 1 174 22 22 LYS CD C 28.593 0.300 1 175 22 22 LYS CE C 42.556 0.300 1 176 22 22 LYS CG C 24.863 0.300 1 177 22 22 LYS N N 116.395 0.300 1 178 23 23 ASP H H 8.199 0.030 1 179 23 23 ASP HA H 5.013 0.030 1 180 23 23 ASP HB2 H 2.650 0.030 2 181 23 23 ASP HB3 H 2.892 0.030 2 182 23 23 ASP C C 175.679 0.300 1 183 23 23 ASP CA C 51.689 0.300 1 184 23 23 ASP CB C 43.979 0.300 1 185 23 23 ASP N N 120.553 0.300 1 186 24 24 ILE H H 8.748 0.030 1 187 24 24 ILE HA H 3.938 0.030 1 188 24 24 ILE HB H 1.677 0.030 1 189 24 24 ILE HD1 H 0.873 0.030 1 190 24 24 ILE HG12 H 1.565 0.030 2 191 24 24 ILE HG13 H 1.122 0.030 2 192 24 24 ILE HG2 H 0.907 0.030 1 193 24 24 ILE C C 176.892 0.300 1 194 24 24 ILE CA C 61.975 0.300 1 195 24 24 ILE CB C 38.140 0.300 1 196 24 24 ILE CD1 C 13.032 0.300 1 197 24 24 ILE CG1 C 28.255 0.300 1 198 24 24 ILE CG2 C 17.667 0.300 1 199 24 24 ILE N N 120.264 0.300 1 200 25 25 MET H H 8.395 0.030 1 201 25 25 MET HA H 4.845 0.030 1 202 25 25 MET HB2 H 2.087 0.030 2 203 25 25 MET HB3 H 1.572 0.030 2 204 25 25 MET HE H 1.792 0.030 1 205 25 25 MET HG2 H 2.824 0.030 2 206 25 25 MET HG3 H 2.575 0.030 2 207 25 25 MET C C 177.305 0.300 1 208 25 25 MET CA C 56.924 0.300 1 209 25 25 MET CB C 35.161 0.300 1 210 25 25 MET CE C 16.889 0.300 1 211 25 25 MET CG C 32.704 0.300 1 212 25 25 MET N N 125.187 0.300 1 213 26 26 THR H H 8.430 0.030 1 214 26 26 THR HA H 4.363 0.030 1 215 26 26 THR HB H 4.141 0.030 1 216 26 26 THR HG2 H 1.223 0.030 1 217 26 26 THR C C 174.272 0.300 1 218 26 26 THR CA C 62.203 0.300 1 219 26 26 THR CB C 69.748 0.300 1 220 26 26 THR CG2 C 21.352 0.300 1 221 26 26 THR N N 120.186 0.300 1 222 27 27 ASP H H 8.889 0.030 1 223 27 27 ASP HA H 4.408 0.030 1 224 27 27 ASP HB2 H 2.791 0.030 1 225 27 27 ASP HB3 H 2.791 0.030 1 226 27 27 ASP C C 173.861 0.300 1 227 27 27 ASP CA C 54.606 0.300 1 228 27 27 ASP CB C 39.746 0.300 1 229 27 27 ASP N N 126.953 0.300 1 230 28 28 ALA H H 8.061 0.030 1 231 28 28 ALA HA H 4.442 0.030 1 232 28 28 ALA HB H 1.256 0.030 1 233 28 28 ALA C C 178.700 0.300 1 234 28 28 ALA CA C 53.175 0.300 1 235 28 28 ALA CB C 21.275 0.300 1 236 28 28 ALA N N 121.516 0.300 1 237 29 29 VAL H H 9.220 0.030 1 238 29 29 VAL HA H 4.663 0.030 1 239 29 29 VAL HB H 2.035 0.030 1 240 29 29 VAL HG1 H 0.975 0.030 1 241 29 29 VAL HG2 H 0.989 0.030 1 242 29 29 VAL C C 173.849 0.300 1 243 29 29 VAL CA C 59.648 0.300 1 244 29 29 VAL CB C 35.889 0.300 1 245 29 29 VAL CG1 C 21.842 0.300 2 246 29 29 VAL CG2 C 20.661 0.300 2 247 29 29 VAL N N 117.887 0.300 1 248 30 30 VAL H H 8.444 0.030 1 249 30 30 VAL HA H 4.785 0.030 1 250 30 30 VAL HB H 1.813 0.030 1 251 30 30 VAL HG1 H 0.841 0.030 1 252 30 30 VAL HG2 H 0.726 0.030 1 253 30 30 VAL C C 176.521 0.300 1 254 30 30 VAL CA C 60.603 0.300 1 255 30 30 VAL CB C 34.039 0.300 1 256 30 30 VAL CG1 C 21.092 0.300 2 257 30 30 VAL CG2 C 21.031 0.300 2 258 30 30 VAL N N 120.791 0.300 1 259 31 31 ILE H H 8.858 0.030 1 260 31 31 ILE HA H 4.928 0.030 1 261 31 31 ILE HB H 1.820 0.030 1 262 31 31 ILE HD1 H 1.109 0.030 1 263 31 31 ILE HG12 H 1.576 0.030 2 264 31 31 ILE HG13 H 2.235 0.030 2 265 31 31 ILE HG2 H 1.670 0.030 1 266 31 31 ILE C C 175.628 0.300 1 267 31 31 ILE CA C 57.844 0.300 1 268 31 31 ILE CB C 42.952 0.300 1 269 31 31 ILE CD1 C 15.019 0.300 1 270 31 31 ILE CG1 C 30.297 0.300 1 271 31 31 ILE CG2 C 20.182 0.300 1 272 31 31 ILE N N 131.104 0.300 1 273 32 32 PRO HA H 4.456 0.030 1 274 32 32 PRO HB2 H 2.308 0.030 2 275 32 32 PRO HB3 H 2.046 0.030 2 276 32 32 PRO HD2 H 3.758 0.030 1 277 32 32 PRO HD3 H 3.758 0.030 1 278 32 32 PRO HG2 H 2.113 0.030 2 279 32 32 PRO HG3 H 2.021 0.030 2 280 32 32 PRO C C 177.094 0.300 1 281 32 32 PRO CA C 64.883 0.300 1 282 32 32 PRO CB C 32.116 0.300 1 283 32 32 PRO CD C 51.169 0.300 1 284 32 32 PRO CG C 27.437 0.300 1 285 33 33 CYS H H 8.459 0.030 1 286 33 33 CYS HA H 4.238 0.030 1 287 33 33 CYS HB2 H 2.858 0.030 2 288 33 33 CYS HB3 H 2.760 0.030 2 289 33 33 CYS C C 177.581 0.300 1 290 33 33 CYS CA C 56.887 0.300 1 291 33 33 CYS CB C 28.994 0.300 1 292 33 33 CYS N N 123.104 0.300 1 293 34 34 CYS H H 8.377 0.030 1 294 34 34 CYS HA H 4.912 0.030 1 295 34 34 CYS HB2 H 3.003 0.030 2 296 34 34 CYS HB3 H 2.715 0.030 2 297 34 34 CYS C C 177.696 0.300 1 298 34 34 CYS CA C 57.107 0.300 1 299 34 34 CYS CB C 31.757 0.300 1 300 34 34 CYS N N 116.378 0.300 1 301 35 35 GLY H H 8.009 0.030 1 302 35 35 GLY HA2 H 3.978 0.030 2 303 35 35 GLY HA3 H 3.907 0.030 2 304 35 35 GLY C C 174.151 0.300 1 305 35 35 GLY CA C 46.702 0.300 1 306 35 35 GLY N N 112.194 0.300 1 307 36 36 ASN H H 7.226 0.030 1 308 36 36 ASN HA H 4.622 0.030 1 309 36 36 ASN HB2 H 2.989 0.030 2 310 36 36 ASN HB3 H 2.211 0.030 2 311 36 36 ASN HD21 H 7.527 0.030 1 312 36 36 ASN HD22 H 7.527 0.030 1 313 36 36 ASN C C 172.531 0.300 1 314 36 36 ASN CA C 54.625 0.300 1 315 36 36 ASN CB C 41.193 0.300 1 316 36 36 ASN N N 118.577 0.300 1 317 36 36 ASN ND2 N 121.911 0.300 1 318 37 37 SER H H 7.953 0.030 1 319 37 37 SER HA H 5.808 0.030 1 320 37 37 SER HB2 H 3.518 0.030 1 321 37 37 SER HB3 H 3.518 0.030 1 322 37 37 SER C C 172.319 0.300 1 323 37 37 SER CA C 57.452 0.300 1 324 37 37 SER CB C 66.053 0.300 1 325 37 37 SER N N 112.851 0.300 1 326 38 38 TYR H H 8.604 0.030 1 327 38 38 TYR HA H 5.304 0.030 1 328 38 38 TYR HB2 H 2.307 0.030 2 329 38 38 TYR HB3 H 3.277 0.030 2 330 38 38 TYR HD1 H 6.874 0.030 1 331 38 38 TYR HD2 H 6.874 0.030 1 332 38 38 TYR HE1 H 6.496 0.030 1 333 38 38 TYR HE2 H 6.496 0.030 1 334 38 38 TYR C C 175.480 0.300 1 335 38 38 TYR CA C 55.297 0.300 1 336 38 38 TYR CB C 44.566 0.300 1 337 38 38 TYR CD1 C 133.473 0.300 1 338 38 38 TYR CD2 C 133.473 0.300 1 339 38 38 TYR CE1 C 117.436 0.300 1 340 38 38 TYR CE2 C 117.436 0.300 1 341 38 38 TYR N N 118.805 0.300 1 342 39 39 CYS H H 8.944 0.030 1 343 39 39 CYS HA H 4.247 0.030 1 344 39 39 CYS HB2 H 3.418 0.030 2 345 39 39 CYS HB3 H 3.560 0.030 2 346 39 39 CYS C C 178.518 0.300 1 347 39 39 CYS CA C 60.374 0.300 1 348 39 39 CYS CB C 31.530 0.300 1 349 39 39 CYS N N 122.920 0.300 1 350 40 40 ASP H H 8.170 0.030 1 351 40 40 ASP HA H 4.265 0.030 1 352 40 40 ASP HB2 H 3.190 0.030 2 353 40 40 ASP HB3 H 2.687 0.030 2 354 40 40 ASP C C 177.571 0.300 1 355 40 40 ASP CA C 58.902 0.300 1 356 40 40 ASP CB C 42.497 0.300 1 357 40 40 ASP N N 124.410 0.300 1 358 41 41 GLU H H 8.862 0.030 1 359 41 41 GLU HA H 3.998 0.030 1 360 41 41 GLU HB2 H 2.074 0.030 2 361 41 41 GLU HB3 H 2.114 0.030 2 362 41 41 GLU HG2 H 2.322 0.030 1 363 41 41 GLU HG3 H 2.322 0.030 1 364 41 41 GLU C C 179.660 0.300 1 365 41 41 GLU CA C 59.635 0.300 1 366 41 41 GLU CB C 29.943 0.300 1 367 41 41 GLU CG C 36.314 0.300 1 368 41 41 GLU N N 113.983 0.300 1 369 42 42 CYS H H 7.139 0.030 1 370 42 42 CYS HA H 3.994 0.030 1 371 42 42 CYS HB2 H 3.095 0.030 2 372 42 42 CYS HB3 H 2.907 0.030 2 373 42 42 CYS C C 178.202 0.300 1 374 42 42 CYS CA C 64.173 0.300 1 375 42 42 CYS CB C 29.603 0.300 1 376 43 43 ILE H H 7.923 0.030 1 377 43 43 ILE HA H 4.034 0.030 1 378 43 43 ILE HB H 1.199 0.030 1 379 43 43 ILE HD1 H 0.172 0.030 1 380 43 43 ILE HG12 H 0.947 0.030 2 381 43 43 ILE HG13 H 0.872 0.030 2 382 43 43 ILE HG2 H 1.005 0.030 1 383 43 43 ILE C C 175.604 0.300 1 384 43 43 ILE CA C 59.110 0.300 1 385 43 43 ILE CB C 37.441 0.300 1 386 43 43 ILE CD1 C 13.562 0.300 1 387 43 43 ILE CG1 C 30.306 0.300 1 388 43 43 ILE CG2 C 20.393 0.300 1 389 43 43 ILE N N 117.627 0.300 1 390 44 44 ARG H H 8.465 0.030 1 391 44 44 ARG HA H 3.708 0.030 1 392 44 44 ARG HB2 H 1.852 0.030 2 393 44 44 ARG HB3 H 1.721 0.030 2 394 44 44 ARG HD2 H 2.985 0.030 2 395 44 44 ARG HD3 H 3.238 0.030 2 396 44 44 ARG HG2 H 1.430 0.030 2 397 44 44 ARG HG3 H 1.648 0.030 2 398 44 44 ARG C C 178.520 0.300 1 399 44 44 ARG CA C 61.289 0.300 1 400 44 44 ARG CB C 30.275 0.300 1 401 44 44 ARG CD C 42.805 0.300 1 402 44 44 ARG CG C 29.213 0.300 1 403 44 44 ARG N N 124.894 0.300 1 404 45 45 THR H H 7.625 0.030 1 405 45 45 THR HA H 3.840 0.030 1 406 45 45 THR HB H 4.257 0.030 1 407 45 45 THR HG2 H 1.221 0.030 1 408 45 45 THR C C 175.858 0.300 1 409 45 45 THR CA C 66.585 0.300 1 410 45 45 THR CB C 68.814 0.300 1 411 45 45 THR CG2 C 21.555 0.300 1 412 45 45 THR N N 112.261 0.300 1 413 46 46 ALA H H 7.464 0.030 1 414 46 46 ALA HA H 4.147 0.030 1 415 46 46 ALA HB H 1.410 0.030 1 416 46 46 ALA C C 181.078 0.300 1 417 46 46 ALA CA C 55.099 0.300 1 418 46 46 ALA CB C 18.252 0.300 1 419 46 46 ALA N N 122.580 0.300 1 420 47 47 LEU H H 8.379 0.030 1 421 47 47 LEU HA H 4.014 0.030 1 422 47 47 LEU HB2 H 1.824 0.030 2 423 47 47 LEU HB3 H 1.134 0.030 2 424 47 47 LEU HD1 H 0.636 0.030 1 425 47 47 LEU HD2 H 0.650 0.030 1 426 47 47 LEU HG H 1.740 0.030 1 427 47 47 LEU C C 179.359 0.300 1 428 47 47 LEU CA C 57.679 0.300 1 429 47 47 LEU CB C 42.511 0.300 1 430 47 47 LEU CD1 C 25.484 0.300 2 431 47 47 LEU CD2 C 21.351 0.300 2 432 47 47 LEU CG C 26.450 0.300 1 433 47 47 LEU N N 116.966 0.300 1 434 48 48 LEU H H 7.877 0.030 1 435 48 48 LEU HA H 4.224 0.030 1 436 48 48 LEU HB2 H 1.636 0.030 2 437 48 48 LEU HB3 H 1.895 0.030 2 438 48 48 LEU HD1 H 0.866 0.030 1 439 48 48 LEU HD2 H 0.853 0.030 1 440 48 48 LEU HG H 1.767 0.030 1 441 48 48 LEU C C 178.877 0.300 1 442 48 48 LEU CA C 56.666 0.300 1 443 48 48 LEU CB C 41.968 0.300 1 444 48 48 LEU CD1 C 25.120 0.300 2 445 48 48 LEU CD2 C 23.145 0.300 2 446 48 48 LEU CG C 27.019 0.300 1 447 48 48 LEU N N 117.613 0.300 1 448 49 49 GLU H H 7.833 0.030 1 449 49 49 GLU HA H 4.176 0.030 1 450 49 49 GLU HB2 H 2.129 0.030 2 451 49 49 GLU HB3 H 2.076 0.030 2 452 49 49 GLU HG2 H 2.324 0.030 2 453 49 49 GLU HG3 H 2.530 0.030 2 454 49 49 GLU C C 176.293 0.300 1 455 49 49 GLU CA C 57.660 0.300 1 456 49 49 GLU CB C 29.851 0.300 1 457 49 49 GLU CG C 36.689 0.300 1 458 49 49 GLU N N 117.878 0.300 1 459 50 50 SER H H 7.434 0.030 1 460 50 50 SER HA H 4.686 0.030 1 461 50 50 SER HB2 H 4.128 0.030 2 462 50 50 SER HB3 H 4.015 0.030 2 463 50 50 SER C C 175.312 0.300 1 464 50 50 SER CA C 56.641 0.300 1 465 50 50 SER CB C 64.919 0.300 1 466 50 50 SER N N 112.756 0.300 1 467 51 51 ASP H H 8.839 0.030 1 468 51 51 ASP HA H 4.303 0.030 1 469 51 51 ASP HB2 H 2.665 0.030 2 470 51 51 ASP HB3 H 2.605 0.030 2 471 51 51 ASP C C 176.822 0.300 1 472 51 51 ASP CA C 56.606 0.300 1 473 51 51 ASP CB C 40.566 0.300 1 474 51 51 ASP N N 125.127 0.300 1 475 52 52 GLU H H 7.951 0.030 1 476 52 52 GLU HA H 4.196 0.030 1 477 52 52 GLU HB2 H 2.116 0.030 2 478 52 52 GLU HB3 H 1.736 0.030 2 479 52 52 GLU HG2 H 2.138 0.030 1 480 52 52 GLU HG3 H 2.138 0.030 1 481 52 52 GLU C C 175.274 0.300 1 482 52 52 GLU CA C 56.355 0.300 1 483 52 52 GLU CB C 29.657 0.300 1 484 52 52 GLU CG C 36.828 0.300 1 485 52 52 GLU N N 116.159 0.300 1 486 53 53 HIS H H 7.886 0.030 1 487 53 53 HIS HA H 4.647 0.030 1 488 53 53 HIS HB2 H 3.249 0.030 2 489 53 53 HIS HB3 H 3.623 0.030 2 490 53 53 HIS HD2 H 7.583 0.030 1 491 53 53 HIS HE1 H 8.547 0.030 1 492 53 53 HIS C C 172.336 0.300 1 493 53 53 HIS CA C 55.107 0.300 1 494 53 53 HIS CB C 26.875 0.300 1 495 53 53 HIS CD2 C 119.450 0.300 1 496 53 53 HIS CE1 C 136.290 0.300 1 497 53 53 HIS N N 115.923 0.300 1 498 54 54 THR H H 7.951 0.030 1 499 54 54 THR HA H 4.733 0.030 1 500 54 54 THR HB H 3.666 0.030 1 501 54 54 THR HG2 H 1.046 0.030 1 502 54 54 THR C C 174.098 0.300 1 503 54 54 THR CA C 61.770 0.300 1 504 54 54 THR CB C 70.517 0.300 1 505 54 54 THR CG2 C 21.547 0.300 1 506 54 54 THR N N 115.000 0.300 1 507 55 55 CYS H H 8.816 0.030 1 508 55 55 CYS HA H 4.258 0.030 1 509 55 55 CYS HB2 H 3.348 0.030 2 510 55 55 CYS HB3 H 3.005 0.030 2 511 55 55 CYS C C 176.260 0.300 1 512 55 55 CYS CA C 57.107 0.300 1 513 55 55 CYS CB C 32.406 0.300 1 514 55 55 CYS N N 130.341 0.300 1 515 56 56 PRO HA H 4.406 0.030 1 516 56 56 PRO HB2 H 2.234 0.030 2 517 56 56 PRO HB3 H 1.945 0.030 2 518 56 56 PRO HD2 H 3.444 0.030 2 519 56 56 PRO HD3 H 4.016 0.030 2 520 56 56 PRO HG2 H 1.744 0.030 2 521 56 56 PRO HG3 H 1.605 0.030 2 522 56 56 PRO C C 176.284 0.300 1 523 56 56 PRO CA C 63.831 0.300 1 524 56 56 PRO CB C 32.016 0.300 1 525 56 56 PRO CD C 50.695 0.300 1 526 56 56 PRO CG C 26.489 0.300 1 527 57 57 THR H H 9.343 0.030 1 528 57 57 THR HA H 4.262 0.030 1 529 57 57 THR HB H 4.041 0.030 1 530 57 57 THR HG2 H 1.171 0.030 1 531 57 57 THR C C 174.754 0.300 1 532 57 57 THR CA C 65.130 0.300 1 533 57 57 THR CB C 68.977 0.300 1 534 57 57 THR CG2 C 22.554 0.300 1 535 57 57 THR N N 120.648 0.300 1 536 58 58 CYS H H 9.282 0.030 1 537 58 58 CYS HA H 4.698 0.030 1 538 58 58 CYS HB2 H 3.145 0.030 2 539 58 58 CYS HB3 H 2.411 0.030 2 540 58 58 CYS C C 176.988 0.300 1 541 58 58 CYS CA C 59.113 0.300 1 542 58 58 CYS CB C 31.005 0.300 1 543 58 58 CYS N N 123.993 0.300 1 544 59 59 HIS H H 7.317 0.030 1 545 59 59 HIS HA H 4.521 0.030 1 546 59 59 HIS HB2 H 3.472 0.030 2 547 59 59 HIS HB3 H 3.330 0.030 2 548 59 59 HIS HD2 H 7.087 0.030 1 549 59 59 HIS HE1 H 8.328 0.030 1 550 59 59 HIS C C 173.540 0.300 1 551 59 59 HIS CA C 56.780 0.300 1 552 59 59 HIS CB C 26.388 0.300 1 553 59 59 HIS CD2 C 119.709 0.300 1 554 59 59 HIS CE1 C 136.464 0.300 1 555 59 59 HIS N N 115.079 0.300 1 556 60 60 GLN H H 8.495 0.030 1 557 60 60 GLN HA H 4.182 0.030 1 558 60 60 GLN HB2 H 2.244 0.030 2 559 60 60 GLN HB3 H 1.881 0.030 2 560 60 60 GLN HE21 H 7.841 0.030 2 561 60 60 GLN HE22 H 6.895 0.030 2 562 60 60 GLN HG2 H 2.431 0.030 2 563 60 60 GLN HG3 H 2.509 0.030 2 564 60 60 GLN C C 174.754 0.300 1 565 60 60 GLN CA C 57.570 0.300 1 566 60 60 GLN CB C 29.676 0.300 1 567 60 60 GLN CG C 34.258 0.300 1 568 60 60 GLN N N 123.128 0.300 1 569 60 60 GLN NE2 N 114.187 0.300 1 570 61 61 ASN H H 8.326 0.030 1 571 61 61 ASN HA H 4.874 0.030 1 572 61 61 ASN HB2 H 2.858 0.030 2 573 61 61 ASN HB3 H 2.756 0.030 2 574 61 61 ASN HD21 H 7.560 0.030 2 575 61 61 ASN HD22 H 6.821 0.030 2 576 61 61 ASN C C 174.948 0.300 1 577 61 61 ASN CA C 52.766 0.300 1 578 61 61 ASN CB C 40.275 0.300 1 579 61 61 ASN N N 121.517 0.300 1 580 61 61 ASN ND2 N 112.524 0.300 1 581 62 62 ASP H H 8.796 0.030 1 582 62 62 ASP HA H 4.314 0.030 1 583 62 62 ASP HB2 H 2.997 0.030 2 584 62 62 ASP HB3 H 2.602 0.030 2 585 62 62 ASP C C 175.045 0.300 1 586 62 62 ASP CA C 55.297 0.300 1 587 62 62 ASP CB C 39.632 0.300 1 588 62 62 ASP N N 116.534 0.300 1 589 63 63 VAL H H 8.858 0.030 1 590 63 63 VAL HA H 3.903 0.030 1 591 63 63 VAL HB H 2.080 0.030 1 592 63 63 VAL HG1 H 0.954 0.030 1 593 63 63 VAL HG2 H 0.845 0.030 1 594 63 63 VAL C C 174.852 0.300 1 595 63 63 VAL CA C 62.886 0.300 1 596 63 63 VAL CB C 31.464 0.300 1 597 63 63 VAL CG1 C 20.579 0.300 2 598 63 63 VAL CG2 C 21.084 0.300 2 599 63 63 VAL N N 122.349 0.300 1 600 64 64 SER H H 8.116 0.030 1 601 64 64 SER HA H 4.568 0.030 1 602 64 64 SER HB2 H 3.787 0.030 2 603 64 64 SER HB3 H 3.964 0.030 2 604 64 64 SER C C 175.070 0.300 1 605 64 64 SER CA C 55.252 0.300 1 606 64 64 SER CB C 64.223 0.300 1 607 64 64 SER N N 119.186 0.300 1 608 65 65 PRO HA H 4.163 0.030 1 609 65 65 PRO HB2 H 2.126 0.030 2 610 65 65 PRO HB3 H 2.014 0.030 2 611 65 65 PRO HD2 H 3.600 0.030 2 612 65 65 PRO HD3 H 3.724 0.030 2 613 65 65 PRO HG2 H 1.712 0.030 2 614 65 65 PRO HG3 H 1.969 0.030 2 615 65 65 PRO C C 176.981 0.300 1 616 65 65 PRO CA C 64.058 0.300 1 617 65 65 PRO CB C 31.829 0.300 1 618 65 65 PRO CD C 50.142 0.300 1 619 65 65 PRO CG C 27.296 0.300 1 620 66 66 ASP H H 7.880 0.030 1 621 66 66 ASP HA H 4.517 0.030 1 622 66 66 ASP HB2 H 2.726 0.030 2 623 66 66 ASP HB3 H 2.504 0.030 2 624 66 66 ASP C C 176.323 0.300 1 625 66 66 ASP CA C 55.365 0.300 1 626 66 66 ASP CB C 40.636 0.300 1 627 66 66 ASP N N 115.756 0.300 1 628 67 67 ALA H H 7.964 0.030 1 629 67 67 ALA HA H 4.400 0.030 1 630 67 67 ALA HB H 1.491 0.030 1 631 67 67 ALA C C 177.979 0.300 1 632 67 67 ALA CA C 52.088 0.300 1 633 67 67 ALA CB C 19.344 0.300 1 634 67 67 ALA N N 121.586 0.300 1 635 68 68 LEU H H 7.324 0.030 1 636 68 68 LEU HA H 4.336 0.030 1 637 68 68 LEU HB2 H 1.884 0.030 2 638 68 68 LEU HB3 H 1.329 0.030 2 639 68 68 LEU HD1 H 0.909 0.030 1 640 68 68 LEU HD2 H 0.832 0.030 1 641 68 68 LEU HG H 1.767 0.030 1 642 68 68 LEU C C 177.547 0.300 1 643 68 68 LEU CA C 55.515 0.300 1 644 68 68 LEU CB C 41.870 0.300 1 645 68 68 LEU CD1 C 25.975 0.300 2 646 68 68 LEU CD2 C 23.174 0.300 2 647 68 68 LEU CG C 27.118 0.300 1 648 68 68 LEU N N 118.866 0.300 1 649 69 69 SER H H 8.156 0.030 1 650 69 69 SER HA H 4.682 0.030 1 651 69 69 SER HB2 H 3.884 0.030 1 652 69 69 SER HB3 H 3.884 0.030 1 653 69 69 SER C C 174.584 0.300 1 654 69 69 SER CA C 57.937 0.300 1 655 69 69 SER CB C 64.787 0.300 1 656 69 69 SER N N 116.144 0.300 1 657 70 70 GLY H H 8.178 0.030 1 658 70 70 GLY HA2 H 4.787 0.030 1 659 70 70 GLY HA3 H 4.787 0.030 1 660 70 70 GLY C C 171.864 0.300 1 661 70 70 GLY CA C 50.414 0.300 1 662 70 70 GLY N N 110.565 0.300 1 663 71 71 PRO HA H 4.474 0.030 1 664 71 71 PRO HB2 H 1.971 0.030 2 665 71 71 PRO HB3 H 2.255 0.030 2 666 71 71 PRO HD2 H 3.670 0.030 1 667 71 71 PRO HD3 H 3.670 0.030 1 668 71 71 PRO HG2 H 2.005 0.030 1 669 71 71 PRO HG3 H 2.005 0.030 1 670 71 71 PRO C C 177.398 0.300 1 671 71 71 PRO CA C 63.274 0.300 1 672 71 71 PRO CB C 32.159 0.300 1 673 71 71 PRO CD C 49.965 0.300 1 674 71 71 PRO CG C 27.379 0.300 1 675 72 72 SER H H 8.573 0.030 1 676 72 72 SER HA H 4.530 0.030 1 677 72 72 SER HB2 H 3.879 0.030 1 678 72 72 SER HB3 H 3.879 0.030 1 679 72 72 SER C C 174.847 0.300 1 680 72 72 SER CA C 58.268 0.300 1 681 72 72 SER CB C 63.894 0.300 1 682 72 72 SER N N 116.359 0.300 1 683 73 73 SER H H 8.561 0.030 1 684 73 73 SER HA H 4.495 0.030 1 685 73 73 SER HB2 H 3.908 0.030 1 686 73 73 SER HB3 H 3.908 0.030 1 687 73 73 SER C C 175.070 0.300 1 688 73 73 SER CA C 58.622 0.300 1 689 73 73 SER CB C 63.729 0.300 1 690 73 73 SER N N 118.067 0.300 1 691 74 74 GLY H H 8.460 0.030 1 692 74 74 GLY HA2 H 5.623 0.030 1 693 74 74 GLY HA3 H 5.623 0.030 1 694 74 74 GLY C C 174.292 0.300 1 695 74 74 GLY CA C 45.432 0.300 1 696 74 74 GLY N N 111.046 0.300 1 stop_ save_