data_11332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING domain of the human Polycomb group RING finger protein 6 ; _BMRB_accession_number 11332 _BMRB_flat_file_name bmr11332.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Kigawa T. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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" 386 "13C chemical shifts" 300 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the RING domain of the human Polycomb group RING finger 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 Miyamoto K. . . 2 Kigawa T. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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 'Polycomb group RING finger protein 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING 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 'RING domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; GSSGSSGNLSELTPYILCSI CKGYLIDATTITECLHTFCK SCIVRHFYYSNRCPKCNIVV HQTQPLSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 LEU 10 SER 11 GLU 12 LEU 13 THR 14 PRO 15 TYR 16 ILE 17 LEU 18 CYS 19 SER 20 ILE 21 CYS 22 LYS 23 GLY 24 TYR 25 LEU 26 ILE 27 ASP 28 ALA 29 THR 30 THR 31 ILE 32 THR 33 GLU 34 CYS 35 LEU 36 HIS 37 THR 38 PHE 39 CYS 40 LYS 41 SER 42 CYS 43 ILE 44 VAL 45 ARG 46 HIS 47 PHE 48 TYR 49 TYR 50 SER 51 ASN 52 ARG 53 CYS 54 PRO 55 LYS 56 CYS 57 ASN 58 ILE 59 VAL 60 VAL 61 HIS 62 GLN 63 THR 64 GLN 65 PRO 66 LEU 67 SER 68 GLY 69 PRO 70 SER 71 SER 72 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2DJB "Solution Structure Of The Ring Domain Of The Human Polycomb Group Ring Finger Protein 6" 100.00 72 100.00 100.00 2.03e-43 DBJ BAB40779 "hMBLR [Homo sapiens]" 81.94 352 100.00 100.00 1.64e-36 DBJ BAB40780 "mMBLR [Mus musculus]" 81.94 353 98.31 98.31 5.40e-36 DBJ BAE21174 "unnamed protein product [Mus musculus]" 81.94 281 98.31 98.31 3.84e-36 DBJ BAF83368 "unnamed protein product [Homo sapiens]" 81.94 350 100.00 100.00 1.52e-36 DBJ BAJ17816 "polycomb group ring finger 6 [synthetic construct]" 81.94 350 100.00 100.00 1.38e-36 GB AAH10235 "Polycomb group ring finger 6 [Homo sapiens]" 81.94 352 100.00 100.00 1.64e-36 GB AAH16195 "Polycomb group ring finger 6 [Mus musculus]" 81.94 353 98.31 98.31 5.40e-36 GB AAH83820 "Polycomb group ring finger 6 [Rattus norvegicus]" 81.94 351 98.31 98.31 3.45e-36 GB AAH89460 "Polycomb group ring finger 6 [Mus musculus]" 81.94 353 98.31 98.31 5.40e-36 GB ABZ92150 "polycomb group ring finger 6 [synthetic construct]" 81.94 352 100.00 100.00 1.64e-36 REF NP_001011663 "polycomb group RING finger protein 6 isoform a [Homo sapiens]" 81.94 350 100.00 100.00 1.38e-36 REF NP_001013172 "polycomb group RING finger protein 6 [Rattus norvegicus]" 81.94 351 98.31 98.31 3.45e-36 REF NP_001181540 "polycomb group RING finger protein 6 [Macaca mulatta]" 81.94 350 100.00 100.00 1.11e-36 REF NP_001192549 "polycomb group RING finger protein 6 [Bos taurus]" 81.94 351 100.00 100.00 1.05e-36 REF NP_081930 "polycomb group RING finger protein 6 [Mus musculus]" 81.94 353 98.31 98.31 5.40e-36 SP Q5XI70 "RecName: Full=Polycomb group RING finger protein 6; AltName: Full=RING finger protein 134" 81.94 351 98.31 98.31 3.45e-36 SP Q99NA9 "RecName: Full=Polycomb group RING finger protein 6; AltName: Full=Mel18 and Bmi1-like RING finger; AltName: Full=RING finger pr" 81.94 353 98.31 98.31 5.40e-36 SP Q9BYE7 "RecName: Full=Polycomb group RING finger protein 6; AltName: Full=Mel18 and Bmi1-like RING finger; AltName: Full=RING finger pr" 81.94 350 100.00 100.00 1.38e-36 TPG DAA14916 "TPA: Polycomb group ring finger 6-like isoform 2 [Bos taurus]" 81.94 351 100.00 100.00 1.05e-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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050302-15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.43mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.43 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 1.0 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 0.9732 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 refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _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 'RING 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 6 6 SER HA H 4.481 0.030 1 2 6 6 SER HB2 H 3.890 0.030 1 3 6 6 SER HB3 H 3.890 0.030 1 4 6 6 SER C C 175.003 0.300 1 5 6 6 SER CA C 58.653 0.300 1 6 6 6 SER CB C 63.645 0.300 1 7 7 7 GLY H H 8.396 0.030 1 8 7 7 GLY HA2 H 3.948 0.030 1 9 7 7 GLY HA3 H 3.948 0.030 1 10 7 7 GLY C C 173.809 0.300 1 11 7 7 GLY CA C 45.289 0.300 1 12 7 7 GLY N N 110.467 0.300 1 13 8 8 ASN H H 8.301 0.030 1 14 8 8 ASN HA H 4.714 0.030 1 15 8 8 ASN HB2 H 2.820 0.030 2 16 8 8 ASN HB3 H 2.724 0.030 2 17 8 8 ASN HD21 H 7.596 0.030 2 18 8 8 ASN HD22 H 6.922 0.030 2 19 8 8 ASN C C 175.490 0.300 1 20 8 8 ASN CA C 53.139 0.300 1 21 8 8 ASN CB C 38.778 0.300 1 22 8 8 ASN N N 118.689 0.300 1 23 8 8 ASN ND2 N 112.927 0.300 1 24 9 9 LEU H H 8.346 0.030 1 25 9 9 LEU HA H 4.308 0.030 1 26 9 9 LEU HB2 H 1.664 0.030 2 27 9 9 LEU HB3 H 1.590 0.030 2 28 9 9 LEU HD1 H 0.887 0.030 1 29 9 9 LEU HD2 H 0.835 0.030 1 30 9 9 LEU HG H 1.630 0.030 1 31 9 9 LEU C C 177.726 0.300 1 32 9 9 LEU CA C 55.740 0.300 1 33 9 9 LEU CB C 42.152 0.300 1 34 9 9 LEU CD1 C 25.029 0.300 2 35 9 9 LEU CD2 C 23.384 0.300 2 36 9 9 LEU CG C 26.898 0.300 1 37 9 9 LEU N N 122.968 0.300 1 38 10 10 SER H H 8.287 0.030 1 39 10 10 SER HA H 4.368 0.030 1 40 10 10 SER HB2 H 3.846 0.030 1 41 10 10 SER HB3 H 3.846 0.030 1 42 10 10 SER C C 174.688 0.300 1 43 10 10 SER CA C 58.857 0.300 1 44 10 10 SER CB C 63.659 0.300 1 45 10 10 SER N N 115.959 0.300 1 46 11 11 GLU H H 8.293 0.030 1 47 11 11 GLU HA H 4.273 0.030 1 48 11 11 GLU HB2 H 1.912 0.030 2 49 11 11 GLU HB3 H 2.056 0.030 2 50 11 11 GLU HG2 H 2.225 0.030 1 51 11 11 GLU HG3 H 2.225 0.030 1 52 11 11 GLU C C 176.320 0.300 1 53 11 11 GLU CA C 56.657 0.300 1 54 11 11 GLU CB C 30.166 0.300 1 55 11 11 GLU CG C 36.295 0.300 1 56 11 11 GLU N N 122.108 0.300 1 57 12 12 LEU H H 8.142 0.030 1 58 12 12 LEU HA H 4.365 0.030 1 59 12 12 LEU HB2 H 1.629 0.030 2 60 12 12 LEU HB3 H 1.547 0.030 2 61 12 12 LEU HD1 H 0.888 0.030 1 62 12 12 LEU HD2 H 0.835 0.030 1 63 12 12 LEU HG H 1.624 0.030 1 64 12 12 LEU C C 177.210 0.300 1 65 12 12 LEU CA C 55.020 0.300 1 66 12 12 LEU CB C 42.201 0.300 1 67 12 12 LEU CD1 C 25.029 0.300 2 68 12 12 LEU CD2 C 23.444 0.300 2 69 12 12 LEU CG C 27.085 0.300 1 70 12 12 LEU N N 122.284 0.300 1 71 13 13 THR H H 7.955 0.030 1 72 13 13 THR HA H 4.508 0.030 1 73 13 13 THR HB H 4.106 0.030 1 74 13 13 THR HG2 H 1.155 0.030 1 75 13 13 THR C C 172.820 0.300 1 76 13 13 THR CA C 59.786 0.300 1 77 13 13 THR CB C 69.521 0.300 1 78 13 13 THR CG2 C 21.299 0.300 1 79 13 13 THR N N 116.581 0.300 1 80 14 14 PRO HA H 4.306 0.030 1 81 14 14 PRO HB2 H 1.568 0.030 2 82 14 14 PRO HB3 H 2.115 0.030 2 83 14 14 PRO HD2 H 3.695 0.030 2 84 14 14 PRO HD3 H 3.541 0.030 2 85 14 14 PRO HG2 H 1.746 0.030 2 86 14 14 PRO HG3 H 1.858 0.030 2 87 14 14 PRO C C 176.447 0.300 1 88 14 14 PRO CA C 63.383 0.300 1 89 14 14 PRO CB C 31.854 0.300 1 90 14 14 PRO CD C 50.907 0.300 1 91 14 14 PRO CG C 27.129 0.300 1 92 15 15 TYR H H 7.877 0.030 1 93 15 15 TYR HA H 4.542 0.030 1 94 15 15 TYR HB2 H 2.782 0.030 2 95 15 15 TYR HB3 H 3.017 0.030 2 96 15 15 TYR HD1 H 7.018 0.030 1 97 15 15 TYR HD2 H 7.018 0.030 1 98 15 15 TYR HE1 H 6.796 0.030 1 99 15 15 TYR HE2 H 6.796 0.030 1 100 15 15 TYR C C 175.188 0.300 1 101 15 15 TYR CA C 57.365 0.300 1 102 15 15 TYR CB C 38.422 0.300 1 103 15 15 TYR CD1 C 133.074 0.300 1 104 15 15 TYR CD2 C 133.074 0.300 1 105 15 15 TYR CE1 C 118.284 0.300 1 106 15 15 TYR CE2 C 118.284 0.300 1 107 15 15 TYR N N 118.696 0.300 1 108 16 16 ILE H H 7.897 0.030 1 109 16 16 ILE HA H 4.219 0.030 1 110 16 16 ILE HB H 1.822 0.030 1 111 16 16 ILE HD1 H 0.822 0.030 1 112 16 16 ILE HG12 H 1.397 0.030 2 113 16 16 ILE HG13 H 1.114 0.030 2 114 16 16 ILE HG2 H 0.870 0.030 1 115 16 16 ILE C C 174.851 0.300 1 116 16 16 ILE CA C 61.158 0.300 1 117 16 16 ILE CB C 39.252 0.300 1 118 16 16 ILE CD1 C 12.954 0.300 1 119 16 16 ILE CG1 C 27.048 0.300 1 120 16 16 ILE CG2 C 17.971 0.300 1 121 16 16 ILE N N 120.627 0.300 1 122 17 17 LEU H H 7.894 0.030 1 123 17 17 LEU HA H 4.626 0.030 1 124 17 17 LEU HB2 H 1.018 0.030 2 125 17 17 LEU HB3 H 1.419 0.030 2 126 17 17 LEU HD1 H 0.683 0.030 1 127 17 17 LEU HD2 H 0.380 0.030 1 128 17 17 LEU HG H 1.418 0.030 1 129 17 17 LEU C C 176.895 0.300 1 130 17 17 LEU CA C 53.271 0.300 1 131 17 17 LEU CB C 43.709 0.300 1 132 17 17 LEU CD1 C 25.193 0.300 2 133 17 17 LEU CD2 C 22.896 0.300 2 134 17 17 LEU CG C 26.648 0.300 1 135 17 17 LEU N N 123.193 0.300 1 136 18 18 CYS H H 8.952 0.030 1 137 18 18 CYS HA H 4.355 0.030 1 138 18 18 CYS HB2 H 3.043 0.030 2 139 18 18 CYS HB3 H 3.509 0.030 2 140 18 18 CYS C C 177.847 0.300 1 141 18 18 CYS CA C 59.408 0.300 1 142 18 18 CYS CB C 33.231 0.300 1 143 18 18 CYS N N 125.899 0.300 1 144 19 19 SER H H 8.938 0.030 1 145 19 19 SER HA H 4.242 0.030 1 146 19 19 SER HB2 H 3.847 0.030 2 147 19 19 SER HB3 H 4.031 0.030 2 148 19 19 SER C C 174.969 0.300 1 149 19 19 SER CA C 61.452 0.300 1 150 19 19 SER CB C 63.080 0.300 1 151 19 19 SER N N 124.234 0.300 1 152 20 20 ILE H H 9.144 0.030 1 153 20 20 ILE HA H 4.032 0.030 1 154 20 20 ILE HB H 1.994 0.030 1 155 20 20 ILE HD1 H 0.249 0.030 1 156 20 20 ILE HG12 H 0.733 0.030 2 157 20 20 ILE HG13 H 1.607 0.030 2 158 20 20 ILE HG2 H 0.928 0.030 1 159 20 20 ILE C C 176.859 0.300 1 160 20 20 ILE CA C 64.991 0.300 1 161 20 20 ILE CB C 38.463 0.300 1 162 20 20 ILE CD1 C 14.206 0.300 1 163 20 20 ILE CG1 C 27.561 0.300 1 164 20 20 ILE CG2 C 17.078 0.300 1 165 20 20 ILE N N 124.524 0.300 1 166 21 21 CYS H H 8.176 0.030 1 167 21 21 CYS HA H 4.652 0.030 1 168 21 21 CYS HB2 H 3.124 0.030 1 169 21 21 CYS HB3 H 3.124 0.030 1 170 21 21 CYS C C 176.949 0.300 1 171 21 21 CYS CA C 59.082 0.300 1 172 21 21 CYS CB C 31.580 0.300 1 173 21 21 CYS N N 118.015 0.300 1 174 22 22 LYS H H 8.109 0.030 1 175 22 22 LYS HA H 4.021 0.030 1 176 22 22 LYS HB2 H 1.955 0.030 2 177 22 22 LYS HB3 H 2.156 0.030 2 178 22 22 LYS HD2 H 1.553 0.030 1 179 22 22 LYS HD3 H 1.553 0.030 1 180 22 22 LYS HE2 H 2.970 0.030 2 181 22 22 LYS HE3 H 2.931 0.030 2 182 22 22 LYS HG2 H 1.305 0.030 2 183 22 22 LYS HG3 H 1.221 0.030 2 184 22 22 LYS C C 174.720 0.300 1 185 22 22 LYS CA C 57.657 0.300 1 186 22 22 LYS CB C 28.898 0.300 1 187 22 22 LYS CD C 28.742 0.300 1 188 22 22 LYS CE C 42.426 0.300 1 189 22 22 LYS CG C 25.135 0.300 1 190 22 22 LYS N N 118.531 0.300 1 191 23 23 GLY H H 8.575 0.030 1 192 23 23 GLY HA2 H 3.701 0.030 2 193 23 23 GLY HA3 H 4.371 0.030 2 194 23 23 GLY C C 172.825 0.300 1 195 23 23 GLY CA C 42.902 0.300 1 196 23 23 GLY N N 110.170 0.300 1 197 24 24 TYR H H 7.774 0.030 1 198 24 24 TYR HA H 4.512 0.030 1 199 24 24 TYR HB2 H 2.700 0.030 2 200 24 24 TYR HB3 H 3.037 0.030 2 201 24 24 TYR HD1 H 7.049 0.030 1 202 24 24 TYR HD2 H 7.049 0.030 1 203 24 24 TYR HE1 H 6.715 0.030 1 204 24 24 TYR HE2 H 6.715 0.030 1 205 24 24 TYR C C 176.330 0.300 1 206 24 24 TYR CA C 58.167 0.300 1 207 24 24 TYR CB C 37.941 0.300 1 208 24 24 TYR CD1 C 132.834 0.300 1 209 24 24 TYR CD2 C 132.834 0.300 1 210 24 24 TYR CE1 C 118.086 0.300 1 211 24 24 TYR CE2 C 118.086 0.300 1 212 24 24 TYR N N 117.256 0.300 1 213 25 25 LEU H H 7.935 0.030 1 214 25 25 LEU HA H 4.461 0.030 1 215 25 25 LEU HB2 H 1.641 0.030 2 216 25 25 LEU HB3 H 1.034 0.030 2 217 25 25 LEU HD1 H 0.702 0.030 1 218 25 25 LEU HD2 H 0.731 0.030 1 219 25 25 LEU HG H 1.449 0.030 1 220 25 25 LEU C C 177.448 0.300 1 221 25 25 LEU CA C 55.834 0.300 1 222 25 25 LEU CB C 43.787 0.300 1 223 25 25 LEU CD1 C 26.048 0.300 2 224 25 25 LEU CD2 C 24.605 0.300 2 225 25 25 LEU CG C 27.398 0.300 1 226 25 25 LEU N N 120.692 0.300 1 227 26 26 ILE H H 8.395 0.030 1 228 26 26 ILE HA H 4.237 0.030 1 229 26 26 ILE HB H 1.954 0.030 1 230 26 26 ILE HD1 H 0.854 0.030 1 231 26 26 ILE HG12 H 1.275 0.030 2 232 26 26 ILE HG13 H 1.637 0.030 2 233 26 26 ILE HG2 H 0.919 0.030 1 234 26 26 ILE C C 176.541 0.300 1 235 26 26 ILE CA C 60.166 0.300 1 236 26 26 ILE CB C 38.752 0.300 1 237 26 26 ILE CD1 C 12.077 0.300 1 238 26 26 ILE CG1 C 26.860 0.300 1 239 26 26 ILE CG2 C 17.339 0.300 1 240 26 26 ILE N N 127.152 0.300 1 241 27 27 ASP H H 9.037 0.030 1 242 27 27 ASP HA H 4.269 0.030 1 243 27 27 ASP HB2 H 2.669 0.030 2 244 27 27 ASP HB3 H 3.072 0.030 2 245 27 27 ASP C C 174.738 0.300 1 246 27 27 ASP CA C 54.802 0.300 1 247 27 27 ASP CB C 39.287 0.300 1 248 27 27 ASP N N 128.904 0.300 1 249 28 28 ALA H H 8.296 0.030 1 250 28 28 ALA HA H 3.947 0.030 1 251 28 28 ALA HB H 1.216 0.030 1 252 28 28 ALA C C 177.797 0.300 1 253 28 28 ALA CA C 53.728 0.300 1 254 28 28 ALA CB C 20.045 0.300 1 255 28 28 ALA N N 122.039 0.300 1 256 29 29 THR H H 9.565 0.030 1 257 29 29 THR HA H 4.573 0.030 1 258 29 29 THR HB H 3.956 0.030 1 259 29 29 THR HG2 H 1.198 0.030 1 260 29 29 THR C C 172.063 0.300 1 261 29 29 THR CA C 62.703 0.300 1 262 29 29 THR CB C 72.134 0.300 1 263 29 29 THR CG2 C 20.534 0.300 1 264 29 29 THR N N 122.200 0.300 1 265 30 30 THR H H 8.948 0.030 1 266 30 30 THR HA H 4.884 0.030 1 267 30 30 THR HB H 3.711 0.030 1 268 30 30 THR HG2 H 0.929 0.030 1 269 30 30 THR C C 174.443 0.300 1 270 30 30 THR CA C 61.863 0.300 1 271 30 30 THR CB C 71.092 0.300 1 272 30 30 THR CG2 C 21.929 0.300 1 273 30 30 THR N N 125.128 0.300 1 274 31 31 ILE H H 9.067 0.030 1 275 31 31 ILE HA H 4.279 0.030 1 276 31 31 ILE HB H 2.611 0.030 1 277 31 31 ILE HD1 H 1.267 0.030 1 278 31 31 ILE HG12 H 2.041 0.030 2 279 31 31 ILE HG13 H 1.439 0.030 2 280 31 31 ILE HG2 H 1.385 0.030 1 281 31 31 ILE C C 177.019 0.300 1 282 31 31 ILE CA C 61.735 0.300 1 283 31 31 ILE CB C 37.791 0.300 1 284 31 31 ILE CD1 C 13.876 0.300 1 285 31 31 ILE CG1 C 27.748 0.300 1 286 31 31 ILE CG2 C 20.986 0.300 1 287 31 31 ILE N N 129.684 0.300 1 288 32 32 THR H H 8.649 0.030 1 289 32 32 THR HA H 3.750 0.030 1 290 32 32 THR HB H 4.111 0.030 1 291 32 32 THR HG2 H 1.215 0.030 1 292 32 32 THR C C 175.828 0.300 1 293 32 32 THR CA C 66.422 0.300 1 294 32 32 THR CB C 68.736 0.300 1 295 32 32 THR CG2 C 22.220 0.300 1 296 32 32 THR N N 124.318 0.300 1 297 33 33 GLU H H 9.455 0.030 1 298 33 33 GLU HA H 3.916 0.030 1 299 33 33 GLU HB2 H 1.849 0.030 2 300 33 33 GLU HB3 H 2.056 0.030 2 301 33 33 GLU HG2 H 2.653 0.030 2 302 33 33 GLU HG3 H 2.363 0.030 2 303 33 33 GLU C C 176.979 0.300 1 304 33 33 GLU CA C 61.300 0.300 1 305 33 33 GLU CB C 29.966 0.300 1 306 33 33 GLU CG C 37.920 0.300 1 307 33 33 GLU N N 119.475 0.300 1 308 34 34 CYS H H 7.108 0.030 1 309 34 34 CYS HA H 4.641 0.030 1 310 34 34 CYS HB2 H 2.664 0.030 2 311 34 34 CYS HB3 H 2.597 0.030 2 312 34 34 CYS C C 174.895 0.300 1 313 34 34 CYS CA C 56.917 0.300 1 314 34 34 CYS CB C 33.827 0.300 1 315 34 34 CYS N N 111.644 0.300 1 316 35 35 LEU H H 8.122 0.030 1 317 35 35 LEU HA H 3.850 0.030 1 318 35 35 LEU HB2 H 1.943 0.030 2 319 35 35 LEU HB3 H 1.524 0.030 2 320 35 35 LEU HD1 H 0.828 0.030 1 321 35 35 LEU HD2 H 0.793 0.030 1 322 35 35 LEU HG H 1.380 0.030 1 323 35 35 LEU C C 176.465 0.300 1 324 35 35 LEU CA C 56.601 0.300 1 325 35 35 LEU CB C 38.016 0.300 1 326 35 35 LEU CD1 C 25.397 0.300 2 327 35 35 LEU CD2 C 23.104 0.300 2 328 35 35 LEU CG C 27.073 0.300 1 329 35 35 LEU N N 117.653 0.300 1 330 36 36 HIS H H 8.212 0.030 1 331 36 36 HIS HA H 4.649 0.030 1 332 36 36 HIS HB2 H 2.827 0.030 2 333 36 36 HIS HB3 H 3.568 0.030 2 334 36 36 HIS HD2 H 7.216 0.030 1 335 36 36 HIS HE1 H 7.875 0.030 1 336 36 36 HIS C C 174.021 0.300 1 337 36 36 HIS CA C 59.269 0.300 1 338 36 36 HIS CB C 31.015 0.300 1 339 36 36 HIS CD2 C 118.458 0.300 1 340 36 36 HIS CE1 C 138.150 0.300 1 341 36 36 HIS N N 121.781 0.300 1 342 37 37 THR H H 7.955 0.030 1 343 37 37 THR HA H 5.155 0.030 1 344 37 37 THR HB H 3.528 0.030 1 345 37 37 THR HG2 H 1.022 0.030 1 346 37 37 THR C C 172.132 0.300 1 347 37 37 THR CA C 61.888 0.300 1 348 37 37 THR CB C 71.268 0.300 1 349 37 37 THR CG2 C 22.292 0.300 1 350 37 37 THR N N 118.000 0.300 1 351 38 38 PHE H H 8.718 0.030 1 352 38 38 PHE HA H 5.081 0.030 1 353 38 38 PHE HB2 H 2.294 0.030 2 354 38 38 PHE HB3 H 3.430 0.030 2 355 38 38 PHE HD1 H 7.270 0.030 1 356 38 38 PHE HD2 H 7.270 0.030 1 357 38 38 PHE HE1 H 7.184 0.030 1 358 38 38 PHE HE2 H 7.184 0.030 1 359 38 38 PHE C C 174.666 0.300 1 360 38 38 PHE CA C 55.910 0.300 1 361 38 38 PHE CB C 45.808 0.300 1 362 38 38 PHE CD1 C 130.909 0.300 1 363 38 38 PHE CD2 C 130.909 0.300 1 364 38 38 PHE CE1 C 129.764 0.300 1 365 38 38 PHE CE2 C 129.764 0.300 1 366 38 38 PHE N N 122.991 0.300 1 367 39 39 CYS H H 8.876 0.030 1 368 39 39 CYS HA H 4.268 0.030 1 369 39 39 CYS HB2 H 3.404 0.030 2 370 39 39 CYS HB3 H 3.577 0.030 2 371 39 39 CYS C C 177.900 0.300 1 372 39 39 CYS CA C 60.501 0.300 1 373 39 39 CYS CB C 31.647 0.300 1 374 39 39 CYS N N 124.523 0.300 1 375 40 40 LYS H H 7.914 0.030 1 376 40 40 LYS HA H 3.980 0.030 1 377 40 40 LYS HB2 H 1.891 0.030 2 378 40 40 LYS HB3 H 2.393 0.030 2 379 40 40 LYS HD2 H 1.719 0.030 1 380 40 40 LYS HD3 H 1.719 0.030 1 381 40 40 LYS HE2 H 2.942 0.030 1 382 40 40 LYS HE3 H 2.942 0.030 1 383 40 40 LYS HG2 H 1.433 0.030 2 384 40 40 LYS HG3 H 1.368 0.030 2 385 40 40 LYS C C 178.283 0.300 1 386 40 40 LYS CA C 60.664 0.300 1 387 40 40 LYS CB C 32.546 0.300 1 388 40 40 LYS CD C 29.214 0.300 1 389 40 40 LYS CE C 42.084 0.300 1 390 40 40 LYS CG C 24.622 0.300 1 391 40 40 LYS N N 124.158 0.300 1 392 41 41 SER H H 9.023 0.030 1 393 41 41 SER HA H 4.090 0.030 1 394 41 41 SER HB2 H 3.964 0.030 2 395 41 41 SER HB3 H 3.927 0.030 2 396 41 41 SER C C 177.558 0.300 1 397 41 41 SER CA C 61.483 0.300 1 398 41 41 SER CB C 62.562 0.300 1 399 41 41 SER N N 110.597 0.300 1 400 42 42 CYS HA H 3.956 0.030 1 401 42 42 CYS HB2 H 2.874 0.030 2 402 42 42 CYS HB3 H 2.987 0.030 2 403 42 42 CYS C C 177.940 0.300 1 404 42 42 CYS CA C 63.793 0.300 1 405 42 42 CYS CB C 29.837 0.300 1 406 43 43 ILE H H 8.257 0.030 1 407 43 43 ILE HA H 3.824 0.030 1 408 43 43 ILE HB H 1.353 0.030 1 409 43 43 ILE HD1 H -0.108 0.030 1 410 43 43 ILE HG12 H 0.780 0.030 2 411 43 43 ILE HG13 H 0.720 0.030 2 412 43 43 ILE HG2 H 1.058 0.030 1 413 43 43 ILE C C 175.672 0.300 1 414 43 43 ILE CA C 59.989 0.300 1 415 43 43 ILE CB C 38.575 0.300 1 416 43 43 ILE CD1 C 14.126 0.300 1 417 43 43 ILE CG1 C 29.502 0.300 1 418 43 43 ILE CG2 C 19.156 0.300 1 419 43 43 ILE N N 120.667 0.300 1 420 44 44 VAL H H 8.304 0.030 1 421 44 44 VAL HA H 3.619 0.030 1 422 44 44 VAL HB H 2.053 0.030 1 423 44 44 VAL HG1 H 0.905 0.030 1 424 44 44 VAL HG2 H 1.087 0.030 1 425 44 44 VAL C C 178.541 0.300 1 426 44 44 VAL CA C 66.918 0.300 1 427 44 44 VAL CB C 31.611 0.300 1 428 44 44 VAL CG1 C 21.092 0.300 2 429 44 44 VAL CG2 C 23.721 0.300 2 430 44 44 VAL N N 123.724 0.300 1 431 45 45 ARG H H 7.125 0.030 1 432 45 45 ARG HA H 3.689 0.030 1 433 45 45 ARG HB2 H 1.882 0.030 1 434 45 45 ARG HB3 H 1.882 0.030 1 435 45 45 ARG HD2 H 3.258 0.030 1 436 45 45 ARG HD3 H 3.258 0.030 1 437 45 45 ARG HG2 H 1.836 0.030 2 438 45 45 ARG HG3 H 1.687 0.030 2 439 45 45 ARG C C 178.921 0.300 1 440 45 45 ARG CA C 58.649 0.300 1 441 45 45 ARG CB C 29.898 0.300 1 442 45 45 ARG CD C 43.540 0.300 1 443 45 45 ARG CG C 27.898 0.300 1 444 45 45 ARG N N 116.853 0.300 1 445 46 46 HIS H H 7.661 0.030 1 446 46 46 HIS HA H 4.245 0.030 1 447 46 46 HIS HB2 H 2.958 0.030 2 448 46 46 HIS HB3 H 2.828 0.030 2 449 46 46 HIS HD2 H 6.277 0.030 1 450 46 46 HIS HE1 H 7.732 0.030 1 451 46 46 HIS C C 178.252 0.300 1 452 46 46 HIS CA C 60.375 0.300 1 453 46 46 HIS CB C 31.278 0.300 1 454 46 46 HIS CD2 C 117.814 0.300 1 455 46 46 HIS CE1 C 138.422 0.300 1 456 46 46 HIS N N 119.535 0.300 1 457 47 47 PHE H H 8.110 0.030 1 458 47 47 PHE HA H 5.547 0.030 1 459 47 47 PHE HB2 H 3.140 0.030 2 460 47 47 PHE HB3 H 3.373 0.030 2 461 47 47 PHE HD1 H 7.492 0.030 1 462 47 47 PHE HD2 H 7.492 0.030 1 463 47 47 PHE HE1 H 7.071 0.030 1 464 47 47 PHE HE2 H 7.071 0.030 1 465 47 47 PHE HZ H 6.985 0.030 1 466 47 47 PHE C C 177.495 0.300 1 467 47 47 PHE CA C 56.061 0.300 1 468 47 47 PHE CB C 37.831 0.300 1 469 47 47 PHE CD1 C 131.012 0.300 1 470 47 47 PHE CD2 C 131.012 0.300 1 471 47 47 PHE CE1 C 130.524 0.300 1 472 47 47 PHE CE2 C 130.524 0.300 1 473 47 47 PHE CZ C 128.665 0.300 1 474 47 47 PHE N N 115.876 0.300 1 475 48 48 TYR H H 7.558 0.030 1 476 48 48 TYR HA H 4.306 0.030 1 477 48 48 TYR HB2 H 2.558 0.030 2 478 48 48 TYR HB3 H 2.848 0.030 2 479 48 48 TYR HD1 H 6.854 0.030 1 480 48 48 TYR HD2 H 6.854 0.030 1 481 48 48 TYR HE1 H 6.715 0.030 1 482 48 48 TYR HE2 H 6.715 0.030 1 483 48 48 TYR C C 177.386 0.300 1 484 48 48 TYR CA C 59.594 0.300 1 485 48 48 TYR CB C 37.177 0.300 1 486 48 48 TYR CD1 C 132.507 0.300 1 487 48 48 TYR CD2 C 132.507 0.300 1 488 48 48 TYR CE1 C 117.949 0.300 1 489 48 48 TYR CE2 C 117.949 0.300 1 490 48 48 TYR N N 119.374 0.300 1 491 49 49 TYR H H 7.367 0.030 1 492 49 49 TYR HA H 4.697 0.030 1 493 49 49 TYR HB2 H 2.830 0.030 2 494 49 49 TYR HB3 H 3.194 0.030 2 495 49 49 TYR HD1 H 7.229 0.030 1 496 49 49 TYR HD2 H 7.229 0.030 1 497 49 49 TYR HE1 H 6.857 0.030 1 498 49 49 TYR HE2 H 6.857 0.030 1 499 49 49 TYR C C 175.147 0.300 1 500 49 49 TYR CA C 57.402 0.300 1 501 49 49 TYR CB C 40.543 0.300 1 502 49 49 TYR CD1 C 133.911 0.300 1 503 49 49 TYR CD2 C 133.911 0.300 1 504 49 49 TYR CE1 C 118.501 0.300 1 505 49 49 TYR CE2 C 118.501 0.300 1 506 49 49 TYR N N 113.298 0.300 1 507 50 50 SER H H 7.646 0.030 1 508 50 50 SER HA H 4.614 0.030 1 509 50 50 SER HB2 H 2.550 0.030 2 510 50 50 SER HB3 H 3.488 0.030 2 511 50 50 SER C C 172.606 0.300 1 512 50 50 SER CA C 56.043 0.300 1 513 50 50 SER CB C 64.192 0.300 1 514 50 50 SER N N 114.822 0.300 1 515 51 51 ASN H H 7.983 0.030 1 516 51 51 ASN HA H 4.838 0.030 1 517 51 51 ASN HB2 H 2.626 0.030 2 518 51 51 ASN HB3 H 3.179 0.030 2 519 51 51 ASN HD21 H 6.735 0.030 2 520 51 51 ASN HD22 H 7.511 0.030 2 521 51 51 ASN C C 173.591 0.300 1 522 51 51 ASN CA C 51.623 0.300 1 523 51 51 ASN CB C 37.867 0.300 1 524 51 51 ASN N N 122.007 0.300 1 525 51 51 ASN ND2 N 110.569 0.300 1 526 52 52 ARG H H 8.174 0.030 1 527 52 52 ARG HA H 5.439 0.030 1 528 52 52 ARG HB2 H 1.427 0.030 2 529 52 52 ARG HB3 H 1.369 0.030 2 530 52 52 ARG HD2 H 3.052 0.030 2 531 52 52 ARG HD3 H 2.959 0.030 2 532 52 52 ARG HG2 H 1.586 0.030 2 533 52 52 ARG HG3 H 1.291 0.030 2 534 52 52 ARG C C 176.449 0.300 1 535 52 52 ARG CA C 53.116 0.300 1 536 52 52 ARG CB C 33.969 0.300 1 537 52 52 ARG CD C 42.979 0.300 1 538 52 52 ARG CG C 28.306 0.300 1 539 52 52 ARG N N 116.745 0.300 1 540 53 53 CYS H H 8.846 0.030 1 541 53 53 CYS HA H 4.322 0.030 1 542 53 53 CYS HB2 H 3.261 0.030 2 543 53 53 CYS HB3 H 3.039 0.030 2 544 53 53 CYS C C 176.887 0.300 1 545 53 53 CYS CA C 57.064 0.300 1 546 53 53 CYS CB C 31.545 0.300 1 547 53 53 CYS N N 124.098 0.300 1 548 54 54 PRO HA H 4.100 0.030 1 549 54 54 PRO HB2 H 1.355 0.030 2 550 54 54 PRO HB3 H 1.505 0.030 2 551 54 54 PRO HD2 H 3.498 0.030 2 552 54 54 PRO HD3 H 3.034 0.030 2 553 54 54 PRO HG2 H -0.023 0.030 2 554 54 54 PRO HG3 H 0.726 0.030 2 555 54 54 PRO C C 176.493 0.300 1 556 54 54 PRO CA C 64.184 0.300 1 557 54 54 PRO CB C 31.542 0.300 1 558 54 54 PRO CD C 50.380 0.300 1 559 54 54 PRO CG C 25.654 0.300 1 560 55 55 LYS H H 9.378 0.030 1 561 55 55 LYS HA H 4.348 0.030 1 562 55 55 LYS HB2 H 1.441 0.030 1 563 55 55 LYS HB3 H 1.441 0.030 1 564 55 55 LYS HD2 H 1.017 0.030 2 565 55 55 LYS HD3 H 1.328 0.030 2 566 55 55 LYS HE2 H 2.748 0.030 1 567 55 55 LYS HE3 H 2.748 0.030 1 568 55 55 LYS HG2 H 1.126 0.030 2 569 55 55 LYS HG3 H 0.822 0.030 2 570 55 55 LYS C C 177.044 0.300 1 571 55 55 LYS CA C 57.778 0.300 1 572 55 55 LYS CB C 33.891 0.300 1 573 55 55 LYS CD C 28.532 0.300 1 574 55 55 LYS CE C 41.812 0.300 1 575 55 55 LYS CG C 24.657 0.300 1 576 55 55 LYS N N 120.982 0.300 1 577 56 56 CYS H H 8.570 0.030 1 578 56 56 CYS HA H 5.016 0.030 1 579 56 56 CYS HB2 H 2.703 0.030 2 580 56 56 CYS HB3 H 3.399 0.030 2 581 56 56 CYS C C 176.456 0.300 1 582 56 56 CYS CA C 58.822 0.300 1 583 56 56 CYS CB C 32.512 0.300 1 584 56 56 CYS N N 118.789 0.300 1 585 57 57 ASN H H 8.316 0.030 1 586 57 57 ASN HA H 4.556 0.030 1 587 57 57 ASN HB2 H 2.613 0.030 2 588 57 57 ASN HB3 H 3.263 0.030 2 589 57 57 ASN HD21 H 7.658 0.030 2 590 57 57 ASN HD22 H 6.885 0.030 2 591 57 57 ASN C C 174.194 0.300 1 592 57 57 ASN CA C 55.031 0.300 1 593 57 57 ASN CB C 40.002 0.300 1 594 57 57 ASN N N 120.205 0.300 1 595 57 57 ASN ND2 N 112.715 0.300 1 596 58 58 ILE H H 7.718 0.030 1 597 58 58 ILE HA H 4.280 0.030 1 598 58 58 ILE HB H 2.026 0.030 1 599 58 58 ILE HD1 H 0.878 0.030 1 600 58 58 ILE HG12 H 1.454 0.030 1 601 58 58 ILE HG13 H 1.454 0.030 1 602 58 58 ILE HG2 H 0.978 0.030 1 603 58 58 ILE C C 175.213 0.300 1 604 58 58 ILE CA C 62.383 0.300 1 605 58 58 ILE CB C 39.213 0.300 1 606 58 58 ILE CD1 C 14.846 0.300 1 607 58 58 ILE CG1 C 27.741 0.300 1 608 58 58 ILE CG2 C 18.435 0.300 1 609 58 58 ILE N N 118.765 0.300 1 610 59 59 VAL H H 8.109 0.030 1 611 59 59 VAL HA H 3.857 0.030 1 612 59 59 VAL HB H 1.802 0.030 1 613 59 59 VAL HG1 H 0.629 0.030 1 614 59 59 VAL HG2 H 0.919 0.030 1 615 59 59 VAL C C 175.585 0.300 1 616 59 59 VAL CA C 64.088 0.300 1 617 59 59 VAL CB C 31.700 0.300 1 618 59 59 VAL CG1 C 21.111 0.300 2 619 59 59 VAL CG2 C 21.790 0.300 2 620 59 59 VAL N N 123.024 0.300 1 621 60 60 VAL H H 8.537 0.030 1 622 60 60 VAL HA H 3.975 0.030 1 623 60 60 VAL HB H 1.752 0.030 1 624 60 60 VAL HG1 H 0.852 0.030 1 625 60 60 VAL HG2 H 0.938 0.030 1 626 60 60 VAL C C 175.681 0.300 1 627 60 60 VAL CA C 61.408 0.300 1 628 60 60 VAL CB C 32.944 0.300 1 629 60 60 VAL CG1 C 21.752 0.300 2 630 60 60 VAL CG2 C 21.385 0.300 2 631 60 60 VAL N N 127.210 0.300 1 632 61 61 HIS H H 8.755 0.030 1 633 61 61 HIS HA H 4.506 0.030 1 634 61 61 HIS HB2 H 3.000 0.030 2 635 61 61 HIS HB3 H 3.113 0.030 2 636 61 61 HIS HD2 H 7.007 0.030 1 637 61 61 HIS C C 175.402 0.300 1 638 61 61 HIS CA C 56.669 0.300 1 639 61 61 HIS CB C 30.674 0.300 1 640 61 61 HIS CD2 C 119.966 0.300 1 641 61 61 HIS N N 124.670 0.300 1 642 62 62 GLN H H 8.439 0.030 1 643 62 62 GLN HA H 4.333 0.030 1 644 62 62 GLN HB2 H 1.879 0.030 2 645 62 62 GLN HB3 H 2.021 0.030 2 646 62 62 GLN HE21 H 6.542 0.030 2 647 62 62 GLN HE22 H 7.377 0.030 2 648 62 62 GLN HG2 H 2.224 0.030 1 649 62 62 GLN HG3 H 2.224 0.030 1 650 62 62 GLN C C 175.508 0.300 1 651 62 62 GLN CA C 55.609 0.300 1 652 62 62 GLN CB C 29.708 0.300 1 653 62 62 GLN CG C 33.742 0.300 1 654 62 62 GLN N N 121.881 0.300 1 655 62 62 GLN NE2 N 111.931 0.300 1 656 63 63 THR H H 8.108 0.030 1 657 63 63 THR HA H 4.279 0.030 1 658 63 63 THR HB H 4.086 0.030 1 659 63 63 THR HG2 H 1.027 0.030 1 660 63 63 THR C C 174.378 0.300 1 661 63 63 THR CA C 61.743 0.300 1 662 63 63 THR CB C 69.828 0.300 1 663 63 63 THR CG2 C 21.741 0.300 1 664 63 63 THR N N 114.782 0.300 1 665 64 64 GLN H H 8.464 0.030 1 666 64 64 GLN HA H 4.644 0.030 1 667 64 64 GLN HB2 H 1.933 0.030 2 668 64 64 GLN HB3 H 2.074 0.030 2 669 64 64 GLN HE21 H 7.515 0.030 2 670 64 64 GLN HE22 H 6.892 0.030 2 671 64 64 GLN HG2 H 2.328 0.030 1 672 64 64 GLN HG3 H 2.328 0.030 1 673 64 64 GLN C C 173.758 0.300 1 674 64 64 GLN CA C 54.009 0.300 1 675 64 64 GLN CB C 29.000 0.300 1 676 64 64 GLN CG C 33.410 0.300 1 677 64 64 GLN N N 122.454 0.300 1 678 64 64 GLN NE2 N 112.440 0.300 1 679 65 65 PRO HA H 4.452 0.030 1 680 65 65 PRO HB2 H 1.868 0.030 2 681 65 65 PRO HB3 H 2.275 0.030 2 682 65 65 PRO HD2 H 3.625 0.030 2 683 65 65 PRO HD3 H 3.733 0.030 2 684 65 65 PRO HG2 H 1.995 0.030 1 685 65 65 PRO HG3 H 1.995 0.030 1 686 65 65 PRO C C 176.925 0.300 1 687 65 65 PRO CA C 63.123 0.300 1 688 65 65 PRO CB C 32.089 0.300 1 689 65 65 PRO CD C 50.564 0.300 1 690 65 65 PRO CG C 27.234 0.300 1 691 66 66 LEU H H 8.225 0.030 1 692 66 66 LEU HA H 4.362 0.030 1 693 66 66 LEU HB2 H 1.558 0.030 2 694 66 66 LEU HB3 H 1.614 0.030 2 695 66 66 LEU HD1 H 0.837 0.030 1 696 66 66 LEU HD2 H 0.890 0.030 1 697 66 66 LEU HG H 1.632 0.030 1 698 66 66 LEU C C 177.338 0.300 1 699 66 66 LEU CA C 55.157 0.300 1 700 66 66 LEU CB C 42.402 0.300 1 701 66 66 LEU CD1 C 23.531 0.300 2 702 66 66 LEU CD2 C 25.000 0.300 2 703 66 66 LEU CG C 27.021 0.300 1 704 66 66 LEU N N 121.895 0.300 1 705 67 67 SER H H 8.254 0.030 1 706 67 67 SER HA H 4.488 0.030 1 707 67 67 SER HB2 H 3.849 0.030 1 708 67 67 SER HB3 H 3.849 0.030 1 709 67 67 SER C C 174.410 0.300 1 710 67 67 SER CA C 58.052 0.300 1 711 67 67 SER CB C 64.018 0.300 1 712 67 67 SER N N 115.769 0.300 1 713 68 68 GLY H H 8.198 0.030 1 714 68 68 GLY HA2 H 4.071 0.030 2 715 68 68 GLY HA3 H 4.157 0.030 2 716 68 68 GLY C C 171.707 0.300 1 717 68 68 GLY CA C 44.675 0.300 1 718 68 68 GLY N N 110.514 0.300 1 719 69 69 PRO HA H 4.452 0.030 1 720 69 69 PRO HB2 H 1.961 0.030 1 721 69 69 PRO HB3 H 1.961 0.030 1 722 69 69 PRO HD2 H 3.596 0.030 1 723 69 69 PRO HD3 H 3.596 0.030 1 724 69 69 PRO HG2 H 1.942 0.030 1 725 69 69 PRO HG3 H 1.942 0.030 1 726 69 69 PRO C C 177.395 0.300 1 727 69 69 PRO CA C 63.102 0.300 1 728 69 69 PRO CB C 32.150 0.300 1 729 69 69 PRO CD C 49.771 0.300 1 730 69 69 PRO CG C 27.472 0.300 1 731 70 70 SER H H 8.536 0.030 1 732 70 70 SER HA H 4.490 0.030 1 733 70 70 SER HB2 H 3.893 0.030 1 734 70 70 SER HB3 H 3.893 0.030 1 735 70 70 SER C C 174.679 0.300 1 736 70 70 SER CA C 58.202 0.300 1 737 70 70 SER CB C 63.621 0.300 1 738 70 70 SER N N 116.405 0.300 1 739 71 71 SER H H 8.333 0.030 1 740 71 71 SER HA H 4.482 0.030 1 741 71 71 SER HB2 H 3.879 0.030 1 742 71 71 SER HB3 H 3.879 0.030 1 743 71 71 SER C C 173.942 0.300 1 744 71 71 SER CA C 58.217 0.300 1 745 71 71 SER CB C 63.929 0.300 1 746 71 71 SER N N 117.873 0.300 1 747 72 72 GLY H H 8.052 0.030 1 748 72 72 GLY HA2 H 3.769 0.030 1 749 72 72 GLY HA3 H 3.769 0.030 1 750 72 72 GLY C C 179.011 0.300 1 751 72 72 GLY CA C 46.186 0.300 1 752 72 72 GLY N N 116.869 0.300 1 stop_ save_