data_11362 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of the zf-CW domain in zinc finger CW-type PWWP domain protein 1 ; _BMRB_accession_number 11362 _BMRB_flat_file_name bmr11362.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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" 379 "13C chemical shifts" 273 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-04 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11358 'Assigned chemical shifts of the zf-CW domain with H3 peptide' 11359 'Assigned chemical shifts of the zf-CW domain with H3 dimethyl K4 peptide' 11360 'Assigned chemical shifts of the zf-CW domain with H3 trimethyl K4 peptide' 11361 'Assigned chemical shifts of the zf-CW domain with H4 trimethyl K20 peptide' stop_ _Original_release_date 2011-01-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insight into the zinc finger CW domain as a histone modification reader.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20826339 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Fahu . . 2 Umehara Takashi . . 3 Saito Kohei . . 4 Harada Takushi . . 5 Watanabe Satoru . . 6 Yabuki Takashi . . 7 Kigawa Takanori . . 8 Takahashi Mari . . 9 Kuwasako Kanako . . 10 Tsuda Kengo . . 11 Matsuda Takayoshi . . 12 Aoki Masaaki . . 13 Seki Eiko . . 14 Kobayashi Naohiro . . 15 Guntert Peter . . 16 Yokoyama Shigeyuki . . 17 Muto Yutaka . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 18 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1127 _Page_last 1139 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger CW-type PWWP domain protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-CW domain' $entity_1 'ZINC ION' $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 'zf-CW domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GSSGSSGEISGFGQCLVWVQ CSFPNCGKWRRLCGNIDPSV LPDNWSCDQNTDVQYNRCDI PEETWTGLE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 ILE 10 SER 11 GLY 12 PHE 13 GLY 14 GLN 15 CYS 16 LEU 17 VAL 18 TRP 19 VAL 20 GLN 21 CYS 22 SER 23 PHE 24 PRO 25 ASN 26 CYS 27 GLY 28 LYS 29 TRP 30 ARG 31 ARG 32 LEU 33 CYS 34 GLY 35 ASN 36 ILE 37 ASP 38 PRO 39 SER 40 VAL 41 LEU 42 PRO 43 ASP 44 ASN 45 TRP 46 SER 47 CYS 48 ASP 49 GLN 50 ASN 51 THR 52 ASP 53 VAL 54 GLN 55 TYR 56 ASN 57 ARG 58 CYS 59 ASP 60 ILE 61 PRO 62 GLU 63 GLU 64 THR 65 TRP 66 THR 67 GLY 68 LEU 69 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 11115 "zf-CW domain" 100.00 69 100.00 100.00 1.23e-41 BMRB 11358 "zf-CW domain" 100.00 69 100.00 100.00 1.23e-41 BMRB 11359 "zf-CW domain" 100.00 69 100.00 100.00 1.23e-41 BMRB 11360 "zf-CW domain" 100.00 69 100.00 100.00 1.23e-41 BMRB 11361 "zf-CW domain" 100.00 69 100.00 100.00 1.23e-41 PDB 2E61 "Solution Structure Of The Zf-Cw Domain In Zinc Finger Cw-Type Pwwp Domain Protein 1" 100.00 69 100.00 100.00 1.23e-41 PDB 2RR4 "Complex Structure Of The Zf-Cw Domain And The H3k4me3 Peptide" 100.00 69 100.00 100.00 1.23e-41 DBJ BAA91424 "unnamed protein product [Homo sapiens]" 92.75 403 98.44 98.44 4.76e-38 DBJ BAC04028 "unnamed protein product [Homo sapiens]" 94.20 468 96.92 96.92 1.14e-36 DBJ BAG62414 "unnamed protein product [Homo sapiens]" 92.75 524 98.44 98.44 2.96e-38 DBJ BAG63489 "unnamed protein product [Homo sapiens]" 92.75 609 98.44 98.44 2.07e-38 EMBL CAB66669 "hypothetical protein [Homo sapiens]" 92.75 494 98.44 98.44 2.00e-38 GB AAH02725 "ZCWPW1 protein [Homo sapiens]" 92.75 477 98.44 98.44 2.98e-38 GB AIC60275 "ZCWPW1, partial [synthetic construct]" 92.75 477 98.44 98.44 2.98e-38 GB EAW76538 "zinc finger, CW type with PWWP domain 1, isoform CRA_a [Homo sapiens]" 92.75 649 98.44 98.44 2.10e-38 GB EAW76539 "zinc finger, CW type with PWWP domain 1, isoform CRA_b, partial [Homo sapiens]" 91.30 598 100.00 100.00 1.75e-38 GB EAW76540 "zinc finger, CW type with PWWP domain 1, isoform CRA_c [Homo sapiens]" 92.75 524 98.44 98.44 2.96e-38 REF NP_001244937 "zinc finger CW-type PWWP domain protein 1 isoform 2 [Homo sapiens]" 92.75 524 98.44 98.44 2.96e-38 REF NP_060454 "zinc finger CW-type PWWP domain protein 1 isoform 1 [Homo sapiens]" 92.75 648 98.44 98.44 1.98e-38 REF XP_002803268 "PREDICTED: zinc finger CW-type PWWP domain protein 1-like [Macaca mulatta]" 91.30 577 98.41 98.41 2.12e-37 REF XP_003318693 "PREDICTED: zinc finger CW-type PWWP domain protein 1 isoform X4 [Pan troglodytes]" 91.30 648 100.00 100.00 2.00e-38 REF XP_003318694 "PREDICTED: zinc finger CW-type PWWP domain protein 1 isoform X11 [Pan troglodytes]" 92.75 524 98.44 98.44 3.33e-38 SP Q9H0M4 "RecName: Full=Zinc finger CW-type PWWP domain protein 1" 92.75 648 98.44 98.44 1.98e-38 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 P060116-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 50uM ZnCl2+1mM {IDA;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 50 uM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 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 0.9819 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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 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 298 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 'zf-CW 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 4.466 0.030 1 2 6 6 SER HB2 H 3.894 0.030 1 3 6 6 SER HB3 H 3.894 0.030 1 4 6 6 SER C C 175.038 0.300 1 5 6 6 SER CA C 58.773 0.300 1 6 6 6 SER CB C 63.894 0.300 1 7 7 7 GLY H H 8.368 0.030 1 8 7 7 GLY HA2 H 3.952 0.030 1 9 7 7 GLY HA3 H 3.952 0.030 1 10 7 7 GLY C C 174.012 0.300 1 11 7 7 GLY CA C 45.215 0.300 1 12 7 7 GLY N N 110.621 0.300 1 13 8 8 GLU H H 8.218 0.030 1 14 8 8 GLU HA H 4.302 0.030 1 15 8 8 GLU HB2 H 2.028 0.030 2 16 8 8 GLU HB3 H 1.919 0.030 2 17 8 8 GLU HG2 H 2.232 0.030 1 18 8 8 GLU HG3 H 2.232 0.030 1 19 8 8 GLU C C 176.604 0.300 1 20 8 8 GLU CA C 56.563 0.300 1 21 8 8 GLU CB C 30.374 0.300 1 22 8 8 GLU CG C 36.227 0.300 1 23 8 8 GLU N N 120.655 0.300 1 24 9 9 ILE H H 8.213 0.030 1 25 9 9 ILE HA H 4.203 0.030 1 26 9 9 ILE HB H 1.858 0.030 1 27 9 9 ILE HD1 H 0.816 0.030 1 28 9 9 ILE HG12 H 1.444 0.030 2 29 9 9 ILE HG13 H 1.156 0.030 2 30 9 9 ILE HG2 H 0.874 0.030 1 31 9 9 ILE C C 176.321 0.300 1 32 9 9 ILE CA C 61.141 0.300 1 33 9 9 ILE CB C 38.729 0.300 1 34 9 9 ILE CD1 C 12.932 0.300 1 35 9 9 ILE CG1 C 27.210 0.300 1 36 9 9 ILE CG2 C 17.600 0.300 1 37 9 9 ILE N N 121.772 0.300 1 38 10 10 SER H H 8.361 0.030 1 39 10 10 SER HA H 4.431 0.030 1 40 10 10 SER HB2 H 3.830 0.030 1 41 10 10 SER HB3 H 3.830 0.030 1 42 10 10 SER C C 174.933 0.300 1 43 10 10 SER CA C 58.445 0.300 1 44 10 10 SER CB C 64.037 0.300 1 45 10 10 SER N N 119.812 0.300 1 46 11 11 GLY H H 8.315 0.030 1 47 11 11 GLY HA2 H 3.873 0.030 1 48 11 11 GLY HA3 H 3.873 0.030 1 49 11 11 GLY C C 173.954 0.300 1 50 11 11 GLY CA C 45.192 0.300 1 51 11 11 GLY N N 110.740 0.300 1 52 12 12 PHE H H 8.119 0.030 1 53 12 12 PHE HA H 4.597 0.030 1 54 12 12 PHE HB2 H 3.155 0.030 2 55 12 12 PHE HB3 H 2.982 0.030 2 56 12 12 PHE HD1 H 7.204 0.030 1 57 12 12 PHE HD2 H 7.204 0.030 1 58 12 12 PHE HE1 H 7.310 0.030 1 59 12 12 PHE HE2 H 7.310 0.030 1 60 12 12 PHE HZ H 7.259 0.030 1 61 12 12 PHE C C 176.454 0.300 1 62 12 12 PHE CA C 57.974 0.300 1 63 12 12 PHE CB C 39.565 0.300 1 64 12 12 PHE CD1 C 131.673 0.300 1 65 12 12 PHE CD2 C 131.673 0.300 1 66 12 12 PHE CE1 C 131.621 0.300 1 67 12 12 PHE CE2 C 131.621 0.300 1 68 12 12 PHE CZ C 129.822 0.300 1 69 12 12 PHE N N 119.816 0.300 1 70 13 13 GLY H H 8.363 0.030 1 71 13 13 GLY HA2 H 3.877 0.030 1 72 13 13 GLY HA3 H 3.877 0.030 1 73 13 13 GLY C C 173.918 0.300 1 74 13 13 GLY CA C 45.388 0.300 1 75 13 13 GLY N N 110.283 0.300 1 76 14 14 GLN H H 8.139 0.030 1 77 14 14 GLN HA H 4.380 0.030 1 78 14 14 GLN HB2 H 2.115 0.030 2 79 14 14 GLN HB3 H 1.971 0.030 2 80 14 14 GLN HE21 H 7.514 0.030 2 81 14 14 GLN HE22 H 6.857 0.030 2 82 14 14 GLN HG2 H 2.324 0.030 1 83 14 14 GLN HG3 H 2.324 0.030 1 84 14 14 GLN C C 175.626 0.300 1 85 14 14 GLN CA C 55.843 0.300 1 86 14 14 GLN CB C 29.830 0.300 1 87 14 14 GLN CG C 34.005 0.300 1 88 14 14 GLN N N 119.426 0.300 1 89 14 14 GLN NE2 N 112.203 0.300 1 90 15 15 CYS H H 8.223 0.030 1 91 15 15 CYS HA H 4.511 0.030 1 92 15 15 CYS HB2 H 2.894 0.030 1 93 15 15 CYS HB3 H 2.894 0.030 1 94 15 15 CYS CA C 58.478 0.300 1 95 15 15 CYS CB C 28.209 0.300 1 96 16 16 LEU H H 8.127 0.030 1 97 16 16 LEU HA H 4.552 0.030 1 98 16 16 LEU HB2 H 1.542 0.030 2 99 16 16 LEU HB3 H 1.288 0.030 2 100 16 16 LEU HD1 H 0.698 0.030 1 101 16 16 LEU HD2 H 0.702 0.030 1 102 16 16 LEU HG H 1.450 0.030 1 103 16 16 LEU CA C 54.694 0.300 1 104 16 16 LEU CB C 43.241 0.300 1 105 16 16 LEU CD1 C 25.202 0.300 2 106 16 16 LEU CD2 C 24.105 0.300 2 107 16 16 LEU CG C 26.903 0.300 1 108 17 17 VAL H H 8.326 0.030 1 109 17 17 VAL HA H 4.209 0.030 1 110 17 17 VAL HB H 1.890 0.030 1 111 17 17 VAL HG1 H 0.776 0.030 1 112 17 17 VAL HG2 H 0.843 0.030 1 113 17 17 VAL CA C 61.646 0.300 1 114 17 17 VAL CB C 34.285 0.300 1 115 17 17 VAL CG1 C 21.593 0.300 2 116 17 17 VAL CG2 C 21.195 0.300 2 117 17 17 VAL N N 122.551 0.300 1 118 18 18 TRP H H 8.237 0.030 1 119 18 18 TRP HA H 5.290 0.030 1 120 18 18 TRP HB2 H 3.166 0.030 2 121 18 18 TRP HB3 H 2.853 0.030 2 122 18 18 TRP HD1 H 6.945 0.030 1 123 18 18 TRP HE1 H 9.411 0.030 1 124 18 18 TRP HE3 H 7.235 0.030 1 125 18 18 TRP HH2 H 6.793 0.030 1 126 18 18 TRP HZ2 H 6.967 0.030 1 127 18 18 TRP HZ3 H 6.823 0.030 1 128 18 18 TRP C C 175.333 0.300 1 129 18 18 TRP CA C 55.768 0.300 1 130 18 18 TRP CB C 31.699 0.300 1 131 18 18 TRP CD1 C 127.050 0.300 1 132 18 18 TRP CE3 C 120.031 0.300 1 133 18 18 TRP CH2 C 124.195 0.300 1 134 18 18 TRP CZ2 C 113.998 0.300 1 135 18 18 TRP CZ3 C 122.283 0.300 1 136 18 18 TRP NE1 N 128.403 0.300 1 137 19 19 VAL H H 9.251 0.030 1 138 19 19 VAL HA H 4.475 0.030 1 139 19 19 VAL HB H 1.238 0.030 1 140 19 19 VAL HG1 H 0.071 0.030 1 141 19 19 VAL HG2 H -0.040 0.030 1 142 19 19 VAL C C 171.836 0.300 1 143 19 19 VAL CA C 59.771 0.300 1 144 19 19 VAL CB C 35.097 0.300 1 145 19 19 VAL CG1 C 19.748 0.300 2 146 19 19 VAL CG2 C 19.593 0.300 2 147 19 19 VAL N N 120.457 0.300 1 148 20 20 GLN H H 7.917 0.030 1 149 20 20 GLN HA H 4.241 0.030 1 150 20 20 GLN HB2 H 1.099 0.030 2 151 20 20 GLN HB3 H -0.642 0.030 2 152 20 20 GLN HE21 H 7.365 0.030 2 153 20 20 GLN HE22 H 6.604 0.030 2 154 20 20 GLN HG2 H 1.539 0.030 2 155 20 20 GLN HG3 H 0.605 0.030 2 156 20 20 GLN C C 175.521 0.300 1 157 20 20 GLN CA C 53.498 0.300 1 158 20 20 GLN CB C 29.018 0.300 1 159 20 20 GLN CG C 32.727 0.300 1 160 20 20 GLN N N 126.138 0.300 1 161 20 20 GLN NE2 N 110.838 0.300 1 162 21 21 CYS H H 8.977 0.030 1 163 21 21 CYS HA H 4.293 0.030 1 164 21 21 CYS HB2 H 3.605 0.030 2 165 21 21 CYS HB3 H 3.038 0.030 2 166 21 21 CYS C C 177.190 0.300 1 167 21 21 CYS CA C 61.893 0.300 1 168 21 21 CYS CB C 32.460 0.300 1 169 21 21 CYS N N 112.281 0.300 1 170 22 22 SER H H 8.787 0.030 1 171 22 22 SER HA H 4.232 0.030 1 172 22 22 SER HB2 H 4.067 0.030 2 173 22 22 SER HB3 H 3.963 0.030 2 174 22 22 SER C C 175.653 0.300 1 175 22 22 SER CA C 60.156 0.300 1 176 22 22 SER CB C 64.840 0.300 1 177 22 22 SER N N 122.891 0.300 1 178 23 23 PHE H H 8.993 0.030 1 179 23 23 PHE HA H 4.944 0.030 1 180 23 23 PHE HB2 H 3.441 0.030 2 181 23 23 PHE HB3 H 3.340 0.030 2 182 23 23 PHE HD1 H 7.363 0.030 1 183 23 23 PHE HD2 H 7.363 0.030 1 184 23 23 PHE HE1 H 7.293 0.030 1 185 23 23 PHE HE2 H 7.293 0.030 1 186 23 23 PHE HZ H 7.303 0.030 1 187 23 23 PHE C C 177.419 0.300 1 188 23 23 PHE CA C 56.362 0.300 1 189 23 23 PHE CB C 36.596 0.300 1 190 23 23 PHE CD1 C 131.418 0.300 1 191 23 23 PHE CD2 C 131.418 0.300 1 192 23 23 PHE CE1 C 131.042 0.300 1 193 23 23 PHE CE2 C 131.042 0.300 1 194 23 23 PHE CZ C 129.869 0.300 1 195 23 23 PHE N N 110.728 0.300 1 196 24 24 PRO HA H 4.316 0.030 1 197 24 24 PRO HB2 H 2.366 0.030 2 198 24 24 PRO HB3 H 1.960 0.030 2 199 24 24 PRO HD2 H 3.816 0.030 2 200 24 24 PRO HD3 H 4.158 0.030 2 201 24 24 PRO HG2 H 2.096 0.030 2 202 24 24 PRO HG3 H 2.058 0.030 2 203 24 24 PRO C C 177.435 0.300 1 204 24 24 PRO CA C 64.757 0.300 1 205 24 24 PRO CB C 31.866 0.300 1 206 24 24 PRO CD C 51.279 0.300 1 207 24 24 PRO CG C 27.512 0.300 1 208 25 25 ASN H H 8.319 0.030 1 209 25 25 ASN HA H 4.667 0.030 1 210 25 25 ASN HB2 H 2.921 0.030 2 211 25 25 ASN HB3 H 2.852 0.030 2 212 25 25 ASN HD21 H 7.561 0.030 2 213 25 25 ASN HD22 H 6.869 0.030 2 214 25 25 ASN C C 173.836 0.300 1 215 25 25 ASN CA C 53.113 0.300 1 216 25 25 ASN CB C 37.541 0.300 1 217 25 25 ASN N N 113.069 0.300 1 218 25 25 ASN ND2 N 112.757 0.300 1 219 26 26 CYS H H 8.016 0.030 1 220 26 26 CYS HA H 4.707 0.030 1 221 26 26 CYS HB2 H 2.789 0.030 2 222 26 26 CYS HB3 H 3.278 0.030 2 223 26 26 CYS C C 176.234 0.300 1 224 26 26 CYS CA C 60.169 0.300 1 225 26 26 CYS CB C 32.108 0.300 1 226 26 26 CYS N N 123.574 0.300 1 227 27 27 GLY H H 7.289 0.030 1 228 27 27 GLY HA2 H 4.239 0.030 2 229 27 27 GLY HA3 H 3.947 0.030 2 230 27 27 GLY C C 174.507 0.300 1 231 27 27 GLY CA C 46.633 0.300 1 232 27 27 GLY N N 121.439 0.300 1 233 28 28 LYS H H 8.788 0.030 1 234 28 28 LYS HA H 4.343 0.030 1 235 28 28 LYS HB2 H 1.593 0.030 1 236 28 28 LYS HB3 H 1.593 0.030 1 237 28 28 LYS HD2 H 1.795 0.030 1 238 28 28 LYS HD3 H 1.795 0.030 1 239 28 28 LYS HE2 H 3.270 0.030 2 240 28 28 LYS HE3 H 3.046 0.030 2 241 28 28 LYS HG2 H 2.099 0.030 2 242 28 28 LYS HG3 H 1.394 0.030 2 243 28 28 LYS C C 175.980 0.300 1 244 28 28 LYS CA C 58.253 0.300 1 245 28 28 LYS CB C 34.432 0.300 1 246 28 28 LYS CD C 30.526 0.300 1 247 28 28 LYS CE C 43.043 0.300 1 248 28 28 LYS CG C 27.301 0.300 1 249 28 28 LYS N N 123.319 0.300 1 250 29 29 TRP H H 9.544 0.030 1 251 29 29 TRP HA H 4.950 0.030 1 252 29 29 TRP HB2 H 3.045 0.030 1 253 29 29 TRP HB3 H 3.045 0.030 1 254 29 29 TRP HD1 H 7.497 0.030 1 255 29 29 TRP HE1 H 9.971 0.030 1 256 29 29 TRP HE3 H 7.219 0.030 1 257 29 29 TRP HH2 H 7.098 0.030 1 258 29 29 TRP HZ2 H 7.301 0.030 1 259 29 29 TRP HZ3 H 6.930 0.030 1 260 29 29 TRP C C 176.891 0.300 1 261 29 29 TRP CA C 57.156 0.300 1 262 29 29 TRP CB C 29.739 0.300 1 263 29 29 TRP CD1 C 128.104 0.300 1 264 29 29 TRP CE3 C 119.706 0.300 1 265 29 29 TRP CH2 C 124.315 0.300 1 266 29 29 TRP CZ2 C 114.932 0.300 1 267 29 29 TRP CZ3 C 121.723 0.300 1 268 29 29 TRP N N 122.158 0.300 1 269 29 29 TRP NE1 N 129.115 0.300 1 270 30 30 ARG H H 9.863 0.030 1 271 30 30 ARG HA H 4.601 0.030 1 272 30 30 ARG HB2 H 2.029 0.030 2 273 30 30 ARG HB3 H 1.756 0.030 2 274 30 30 ARG HD2 H 3.716 0.030 2 275 30 30 ARG HD3 H 3.165 0.030 2 276 30 30 ARG HE H 8.610 0.030 1 277 30 30 ARG HG2 H 2.254 0.030 2 278 30 30 ARG HG3 H 2.127 0.030 2 279 30 30 ARG C C 173.678 0.300 1 280 30 30 ARG CA C 52.893 0.300 1 281 30 30 ARG CB C 33.414 0.300 1 282 30 30 ARG CD C 44.527 0.300 1 283 30 30 ARG CG C 26.285 0.300 1 284 30 30 ARG N N 122.422 0.300 1 285 30 30 ARG NE N 86.897 0.300 1 286 31 31 ARG H H 8.206 0.030 1 287 31 31 ARG HA H 3.580 0.030 1 288 31 31 ARG HB2 H 1.018 0.030 2 289 31 31 ARG HB3 H 0.184 0.030 2 290 31 31 ARG HD2 H 2.715 0.030 2 291 31 31 ARG HD3 H 2.530 0.030 2 292 31 31 ARG HE H 7.545 0.030 1 293 31 31 ARG HG2 H 0.640 0.030 2 294 31 31 ARG HG3 H 0.349 0.030 2 295 31 31 ARG C C 176.081 0.300 1 296 31 31 ARG CA C 55.398 0.300 1 297 31 31 ARG CB C 30.545 0.300 1 298 31 31 ARG CD C 43.491 0.300 1 299 31 31 ARG CG C 26.277 0.300 1 300 31 31 ARG N N 124.641 0.300 1 301 31 31 ARG NE N 84.155 0.300 1 302 32 32 LEU H H 8.641 0.030 1 303 32 32 LEU HA H 4.549 0.030 1 304 32 32 LEU HB2 H 1.395 0.030 2 305 32 32 LEU HB3 H 1.367 0.030 2 306 32 32 LEU HD1 H 0.537 0.030 1 307 32 32 LEU HD2 H 0.605 0.030 1 308 32 32 LEU HG H 1.345 0.030 1 309 32 32 LEU C C 176.287 0.300 1 310 32 32 LEU CA C 53.761 0.300 1 311 32 32 LEU CB C 42.655 0.300 1 312 32 32 LEU CD1 C 25.270 0.300 2 313 32 32 LEU CD2 C 23.366 0.300 2 314 32 32 LEU CG C 27.019 0.300 1 315 32 32 LEU N N 110.970 0.300 1 316 33 33 CYS H H 8.363 0.030 1 317 33 33 CYS HA H 4.615 0.030 1 318 33 33 CYS HB2 H 2.874 0.030 2 319 33 33 CYS HB3 H 2.831 0.030 2 320 33 33 CYS C C 174.715 0.300 1 321 33 33 CYS CA C 58.080 0.300 1 322 33 33 CYS CB C 28.943 0.300 1 323 33 33 CYS N N 120.997 0.300 1 324 34 34 GLY H H 8.393 0.030 1 325 34 34 GLY HA2 H 4.045 0.030 2 326 34 34 GLY HA3 H 3.859 0.030 2 327 34 34 GLY C C 173.405 0.300 1 328 34 34 GLY CA C 45.433 0.300 1 329 34 34 GLY N N 110.225 0.300 1 330 35 35 ASN H H 8.620 0.030 1 331 35 35 ASN HA H 4.722 0.030 1 332 35 35 ASN HB2 H 2.811 0.030 2 333 35 35 ASN HB3 H 2.736 0.030 2 334 35 35 ASN HD21 H 7.553 0.030 2 335 35 35 ASN HD22 H 6.828 0.030 2 336 35 35 ASN C C 174.639 0.300 1 337 35 35 ASN CA C 53.048 0.300 1 338 35 35 ASN CB C 37.875 0.300 1 339 35 35 ASN ND2 N 112.136 0.300 1 340 36 36 ILE H H 7.596 0.030 1 341 36 36 ILE HA H 4.118 0.030 1 342 36 36 ILE HB H 1.746 0.030 1 343 36 36 ILE HD1 H 0.756 0.030 1 344 36 36 ILE HG12 H 1.288 0.030 2 345 36 36 ILE HG13 H 1.084 0.030 2 346 36 36 ILE HG2 H 0.731 0.030 1 347 36 36 ILE C C 174.502 0.300 1 348 36 36 ILE CA C 59.961 0.300 1 349 36 36 ILE CB C 39.539 0.300 1 350 36 36 ILE CD1 C 12.939 0.300 1 351 36 36 ILE CG1 C 27.226 0.300 1 352 36 36 ILE CG2 C 17.597 0.300 1 353 36 36 ILE N N 120.697 0.300 1 354 37 37 ASP H H 8.224 0.030 1 355 37 37 ASP HA H 4.899 0.030 1 356 37 37 ASP HB2 H 2.844 0.030 2 357 37 37 ASP HB3 H 2.583 0.030 2 358 37 37 ASP CA C 50.729 0.300 1 359 37 37 ASP CB C 41.945 0.300 1 360 37 37 ASP N N 125.484 0.300 1 361 38 38 PRO HA H 4.113 0.030 1 362 38 38 PRO HB2 H 2.181 0.030 2 363 38 38 PRO HB3 H 2.012 0.030 2 364 38 38 PRO HD2 H 3.961 0.030 2 365 38 38 PRO HD3 H 3.894 0.030 2 366 38 38 PRO HG2 H 2.046 0.030 2 367 38 38 PRO HG3 H 1.926 0.030 2 368 38 38 PRO C C 177.652 0.300 1 369 38 38 PRO CA C 64.084 0.300 1 370 38 38 PRO CB C 31.985 0.300 1 371 38 38 PRO CD C 50.822 0.300 1 372 38 38 PRO CG C 27.311 0.300 1 373 39 39 SER H H 8.499 0.030 1 374 39 39 SER HA H 4.304 0.030 1 375 39 39 SER HB2 H 3.965 0.030 2 376 39 39 SER HB3 H 3.918 0.030 2 377 39 39 SER C C 177.666 0.300 1 378 39 39 SER CA C 60.621 0.300 1 379 39 39 SER CB C 63.451 0.300 1 380 39 39 SER N N 113.838 0.300 1 381 40 40 VAL H H 7.506 0.030 1 382 40 40 VAL HA H 4.395 0.030 1 383 40 40 VAL HB H 2.335 0.030 1 384 40 40 VAL HG1 H 0.907 0.030 1 385 40 40 VAL HG2 H 0.963 0.030 1 386 40 40 VAL C C 176.227 0.300 1 387 40 40 VAL CA C 61.117 0.300 1 388 40 40 VAL CB C 31.847 0.300 1 389 40 40 VAL CG1 C 21.201 0.300 2 390 40 40 VAL CG2 C 19.596 0.300 2 391 40 40 VAL N N 116.277 0.300 1 392 41 41 LEU H H 7.441 0.030 1 393 41 41 LEU HA H 4.526 0.030 1 394 41 41 LEU HB2 H 1.679 0.030 2 395 41 41 LEU HB3 H 1.407 0.030 2 396 41 41 LEU HD1 H 0.766 0.030 1 397 41 41 LEU HD2 H 0.674 0.030 1 398 41 41 LEU HG H 1.645 0.030 1 399 41 41 LEU C C 174.966 0.300 1 400 41 41 LEU CA C 53.094 0.300 1 401 41 41 LEU CB C 41.327 0.300 1 402 41 41 LEU CD1 C 23.216 0.300 2 403 41 41 LEU CD2 C 25.488 0.300 2 404 41 41 LEU CG C 27.059 0.300 1 405 41 41 LEU N N 125.002 0.300 1 406 42 42 PRO HA H 4.552 0.030 1 407 42 42 PRO HB2 H 2.407 0.030 2 408 42 42 PRO HB3 H 2.142 0.030 2 409 42 42 PRO HD2 H 3.995 0.030 2 410 42 42 PRO HD3 H 3.739 0.030 2 411 42 42 PRO HG2 H 2.210 0.030 2 412 42 42 PRO HG3 H 2.119 0.030 2 413 42 42 PRO C C 176.962 0.300 1 414 42 42 PRO CA C 62.689 0.300 1 415 42 42 PRO CB C 32.489 0.300 1 416 42 42 PRO CD C 50.585 0.300 1 417 42 42 PRO CG C 27.530 0.300 1 418 43 43 ASP H H 8.532 0.030 1 419 43 43 ASP HA H 4.478 0.030 1 420 43 43 ASP HB2 H 2.670 0.030 1 421 43 43 ASP HB3 H 2.670 0.030 1 422 43 43 ASP C C 176.219 0.300 1 423 43 43 ASP CA C 55.310 0.300 1 424 43 43 ASP CB C 40.840 0.300 1 425 43 43 ASP N N 119.910 0.300 1 426 44 44 ASN H H 8.238 0.030 1 427 44 44 ASN HA H 4.725 0.030 1 428 44 44 ASN HB2 H 2.876 0.030 2 429 44 44 ASN HB3 H 2.716 0.030 2 430 44 44 ASN HD21 H 7.561 0.030 2 431 44 44 ASN HD22 H 6.782 0.030 2 432 44 44 ASN C C 174.639 0.300 1 433 44 44 ASN CA C 52.285 0.300 1 434 44 44 ASN CB C 37.418 0.300 1 435 44 44 ASN N N 116.625 0.300 1 436 44 44 ASN ND2 N 112.192 0.300 1 437 45 45 TRP H H 7.944 0.030 1 438 45 45 TRP HA H 3.850 0.030 1 439 45 45 TRP HB2 H 3.144 0.030 1 440 45 45 TRP HB3 H 3.144 0.030 1 441 45 45 TRP HD1 H 7.112 0.030 1 442 45 45 TRP HE1 H 10.211 0.030 1 443 45 45 TRP HE3 H 7.017 0.030 1 444 45 45 TRP HH2 H 6.786 0.030 1 445 45 45 TRP HZ2 H 6.841 0.030 1 446 45 45 TRP HZ3 H 6.618 0.030 1 447 45 45 TRP C C 174.906 0.300 1 448 45 45 TRP CA C 61.794 0.300 1 449 45 45 TRP CB C 29.229 0.300 1 450 45 45 TRP CD1 C 126.107 0.300 1 451 45 45 TRP CE3 C 120.825 0.300 1 452 45 45 TRP CH2 C 122.798 0.300 1 453 45 45 TRP CZ2 C 113.347 0.300 1 454 45 45 TRP CZ3 C 120.673 0.300 1 455 45 45 TRP N N 121.315 0.300 1 456 45 45 TRP NE1 N 129.017 0.300 1 457 46 46 SER H H 5.966 0.030 1 458 46 46 SER HA H 5.449 0.030 1 459 46 46 SER HB2 H 3.526 0.030 2 460 46 46 SER HB3 H 3.029 0.030 2 461 46 46 SER C C 173.777 0.300 1 462 46 46 SER CA C 56.445 0.300 1 463 46 46 SER CB C 66.725 0.300 1 464 46 46 SER N N 121.144 0.300 1 465 47 47 CYS H H 8.590 0.030 1 466 47 47 CYS HA H 3.402 0.030 1 467 47 47 CYS HB2 H 2.971 0.030 2 468 47 47 CYS HB3 H 2.678 0.030 2 469 47 47 CYS C C 176.225 0.300 1 470 47 47 CYS CA C 66.287 0.300 1 471 47 47 CYS CB C 30.427 0.300 1 472 47 47 CYS N N 119.633 0.300 1 473 48 48 ASP H H 8.035 0.030 1 474 48 48 ASP HA H 4.571 0.030 1 475 48 48 ASP HB2 H 2.666 0.030 2 476 48 48 ASP HB3 H 2.589 0.030 2 477 48 48 ASP C C 177.073 0.300 1 478 48 48 ASP CA C 54.650 0.300 1 479 48 48 ASP CB C 39.684 0.300 1 480 48 48 ASP N N 111.422 0.300 1 481 49 49 GLN H H 7.803 0.030 1 482 49 49 GLN HA H 4.123 0.030 1 483 49 49 GLN HB2 H 2.122 0.030 2 484 49 49 GLN HB3 H 1.027 0.030 2 485 49 49 GLN HE21 H 7.371 0.030 2 486 49 49 GLN HE22 H 6.462 0.030 2 487 49 49 GLN HG2 H 1.983 0.030 1 488 49 49 GLN HG3 H 1.983 0.030 1 489 49 49 GLN C C 177.084 0.300 1 490 49 49 GLN CA C 55.285 0.300 1 491 49 49 GLN CB C 28.971 0.300 1 492 49 49 GLN CG C 34.531 0.300 1 493 49 49 GLN N N 117.490 0.300 1 494 49 49 GLN NE2 N 112.961 0.300 1 495 50 50 ASN H H 8.002 0.030 1 496 50 50 ASN HA H 4.764 0.030 1 497 50 50 ASN HB2 H 2.970 0.030 2 498 50 50 ASN HB3 H 3.406 0.030 2 499 50 50 ASN HD21 H 8.281 0.030 2 500 50 50 ASN HD22 H 7.651 0.030 2 501 50 50 ASN C C 176.183 0.300 1 502 50 50 ASN CA C 53.700 0.300 1 503 50 50 ASN CB C 38.833 0.300 1 504 50 50 ASN N N 121.527 0.300 1 505 50 50 ASN ND2 N 111.434 0.300 1 506 51 51 THR H H 8.348 0.030 1 507 51 51 THR HA H 4.184 0.030 1 508 51 51 THR HB H 4.464 0.030 1 509 51 51 THR HG2 H 1.395 0.030 1 510 51 51 THR C C 175.055 0.300 1 511 51 51 THR CA C 62.878 0.300 1 512 51 51 THR CB C 68.720 0.300 1 513 51 51 THR CG2 C 22.328 0.300 1 514 51 51 THR N N 117.071 0.300 1 515 52 52 ASP H H 7.426 0.030 1 516 52 52 ASP HA H 4.673 0.030 1 517 52 52 ASP HB2 H 2.749 0.030 2 518 52 52 ASP HB3 H 3.079 0.030 2 519 52 52 ASP C C 176.953 0.300 1 520 52 52 ASP CA C 52.923 0.300 1 521 52 52 ASP CB C 40.954 0.300 1 522 52 52 ASP N N 121.876 0.300 1 523 53 53 VAL H H 7.933 0.030 1 524 53 53 VAL HA H 3.898 0.030 1 525 53 53 VAL HB H 2.336 0.030 1 526 53 53 VAL HG1 H 1.035 0.030 1 527 53 53 VAL HG2 H 0.963 0.030 1 528 53 53 VAL C C 175.893 0.300 1 529 53 53 VAL CA C 63.098 0.300 1 530 53 53 VAL CB C 30.938 0.300 1 531 53 53 VAL CG1 C 21.128 0.300 2 532 53 53 VAL CG2 C 18.911 0.300 2 533 53 53 VAL N N 121.464 0.300 1 534 54 54 GLN H H 8.136 0.030 1 535 54 54 GLN HA H 3.967 0.030 1 536 54 54 GLN HB2 H 1.603 0.030 2 537 54 54 GLN HB3 H 1.970 0.030 2 538 54 54 GLN HE21 H 7.675 0.030 2 539 54 54 GLN HE22 H 6.824 0.030 2 540 54 54 GLN HG2 H 2.286 0.030 2 541 54 54 GLN HG3 H 2.009 0.030 2 542 54 54 GLN C C 175.957 0.300 1 543 54 54 GLN CA C 56.864 0.300 1 544 54 54 GLN CB C 29.940 0.300 1 545 54 54 GLN CG C 34.884 0.300 1 546 54 54 GLN N N 116.973 0.300 1 547 54 54 GLN NE2 N 111.981 0.300 1 548 55 55 TYR H H 7.329 0.030 1 549 55 55 TYR HA H 4.805 0.030 1 550 55 55 TYR HB2 H 3.461 0.030 2 551 55 55 TYR HB3 H 2.407 0.030 2 552 55 55 TYR HD1 H 7.217 0.030 1 553 55 55 TYR HD2 H 7.217 0.030 1 554 55 55 TYR HE1 H 6.861 0.030 1 555 55 55 TYR HE2 H 6.861 0.030 1 556 55 55 TYR C C 175.703 0.300 1 557 55 55 TYR CA C 56.856 0.300 1 558 55 55 TYR CB C 40.363 0.300 1 559 55 55 TYR CD1 C 134.019 0.300 1 560 55 55 TYR CD2 C 134.019 0.300 1 561 55 55 TYR CE1 C 118.005 0.300 1 562 55 55 TYR CE2 C 118.005 0.300 1 563 55 55 TYR N N 113.865 0.300 1 564 56 56 ASN H H 7.143 0.030 1 565 56 56 ASN HA H 5.304 0.030 1 566 56 56 ASN HB2 H 2.661 0.030 2 567 56 56 ASN HB3 H 3.172 0.030 2 568 56 56 ASN HD21 H 7.594 0.030 2 569 56 56 ASN HD22 H 6.529 0.030 2 570 56 56 ASN C C 174.239 0.300 1 571 56 56 ASN CA C 52.415 0.300 1 572 56 56 ASN CB C 38.123 0.300 1 573 56 56 ASN N N 118.669 0.300 1 574 56 56 ASN ND2 N 107.124 0.300 1 575 57 57 ARG H H 6.884 0.030 1 576 57 57 ARG HA H 4.686 0.030 1 577 57 57 ARG HB2 H 1.644 0.030 2 578 57 57 ARG HB3 H 1.970 0.030 2 579 57 57 ARG HD2 H 3.297 0.030 2 580 57 57 ARG HD3 H 3.202 0.030 2 581 57 57 ARG HE H 8.373 0.030 1 582 57 57 ARG HG2 H 1.596 0.030 1 583 57 57 ARG HG3 H 1.596 0.030 1 584 57 57 ARG C C 177.299 0.300 1 585 57 57 ARG CA C 54.559 0.300 1 586 57 57 ARG CB C 36.527 0.300 1 587 57 57 ARG CD C 43.548 0.300 1 588 57 57 ARG CG C 27.340 0.300 1 589 57 57 ARG N N 112.843 0.300 1 590 57 57 ARG NE N 85.173 0.300 1 591 58 58 CYS H H 8.474 0.030 1 592 58 58 CYS HA H 4.949 0.030 1 593 58 58 CYS HB2 H 2.545 0.030 2 594 58 58 CYS HB3 H 3.347 0.030 2 595 58 58 CYS C C 175.355 0.300 1 596 58 58 CYS CA C 62.558 0.300 1 597 58 58 CYS CB C 30.521 0.300 1 598 58 58 CYS N N 122.546 0.300 1 599 59 59 ASP H H 7.755 0.030 1 600 59 59 ASP HA H 4.477 0.030 1 601 59 59 ASP HB2 H 2.546 0.030 2 602 59 59 ASP HB3 H 2.804 0.030 2 603 59 59 ASP C C 176.828 0.300 1 604 59 59 ASP CA C 53.815 0.300 1 605 59 59 ASP CB C 40.026 0.300 1 606 59 59 ASP N N 110.945 0.300 1 607 60 60 ILE H H 7.330 0.030 1 608 60 60 ILE HA H 4.371 0.030 1 609 60 60 ILE HB H 1.941 0.030 1 610 60 60 ILE HD1 H 0.875 0.030 1 611 60 60 ILE HG12 H 1.661 0.030 2 612 60 60 ILE HG13 H 1.107 0.030 2 613 60 60 ILE HG2 H 1.376 0.030 1 614 60 60 ILE C C 175.305 0.300 1 615 60 60 ILE CA C 59.676 0.300 1 616 60 60 ILE CB C 39.452 0.300 1 617 60 60 ILE CD1 C 13.817 0.300 1 618 60 60 ILE CG1 C 28.758 0.300 1 619 60 60 ILE CG2 C 17.112 0.300 1 620 60 60 ILE N N 124.148 0.300 1 621 61 61 PRO HA H 4.341 0.030 1 622 61 61 PRO HB2 H 2.021 0.030 2 623 61 61 PRO HB3 H 2.475 0.030 2 624 61 61 PRO HD2 H 4.193 0.030 2 625 61 61 PRO HD3 H 3.769 0.030 2 626 61 61 PRO HG2 H 2.184 0.030 2 627 61 61 PRO HG3 H 2.036 0.030 2 628 61 61 PRO C C 176.531 0.300 1 629 61 61 PRO CA C 63.493 0.300 1 630 61 61 PRO CB C 32.694 0.300 1 631 61 61 PRO CD C 51.715 0.300 1 632 61 61 PRO CG C 27.576 0.300 1 633 62 62 GLU H H 8.790 0.030 1 634 62 62 GLU HA H 4.174 0.030 1 635 62 62 GLU HB2 H 2.263 0.030 2 636 62 62 GLU HB3 H 2.100 0.030 2 637 62 62 GLU HG2 H 2.837 0.030 2 638 62 62 GLU HG3 H 2.737 0.030 2 639 62 62 GLU C C 177.030 0.300 1 640 62 62 GLU CA C 57.297 0.300 1 641 62 62 GLU CB C 31.895 0.300 1 642 62 62 GLU CG C 38.090 0.300 1 643 62 62 GLU N N 121.465 0.300 1 644 63 63 GLU H H 9.122 0.030 1 645 63 63 GLU HA H 4.259 0.030 1 646 63 63 GLU HB2 H 1.681 0.030 2 647 63 63 GLU HB3 H 1.948 0.030 2 648 63 63 GLU HG2 H 2.275 0.030 1 649 63 63 GLU HG3 H 2.275 0.030 1 650 63 63 GLU C C 175.589 0.300 1 651 63 63 GLU CA C 57.000 0.300 1 652 63 63 GLU CB C 30.982 0.300 1 653 63 63 GLU CG C 36.326 0.300 1 654 63 63 GLU N N 109.765 0.300 1 655 64 64 THR H H 8.306 0.030 1 656 64 64 THR HA H 4.282 0.030 1 657 64 64 THR HB H 4.145 0.030 1 658 64 64 THR HG2 H 1.202 0.030 1 659 64 64 THR C C 174.108 0.300 1 660 64 64 THR CA C 62.260 0.300 1 661 64 64 THR CB C 69.641 0.300 1 662 64 64 THR CG2 C 21.660 0.300 1 663 64 64 THR N N 117.690 0.300 1 664 65 65 TRP H H 8.357 0.030 1 665 65 65 TRP HA H 4.729 0.030 1 666 65 65 TRP HB2 H 3.110 0.030 2 667 65 65 TRP HB3 H 3.022 0.030 2 668 65 65 TRP HD1 H 7.022 0.030 1 669 65 65 TRP HE1 H 9.891 0.030 1 670 65 65 TRP HE3 H 7.323 0.030 1 671 65 65 TRP HH2 H 6.943 0.030 1 672 65 65 TRP HZ2 H 7.225 0.030 1 673 65 65 TRP HZ3 H 6.835 0.030 1 674 65 65 TRP C C 176.218 0.300 1 675 65 65 TRP CA C 57.145 0.300 1 676 65 65 TRP CB C 29.948 0.300 1 677 65 65 TRP CD1 C 127.127 0.300 1 678 65 65 TRP CE3 C 120.753 0.300 1 679 65 65 TRP CH2 C 124.365 0.300 1 680 65 65 TRP CZ2 C 114.283 0.300 1 681 65 65 TRP CZ3 C 121.827 0.300 1 682 65 65 TRP N N 126.065 0.300 1 683 65 65 TRP NE1 N 129.318 0.300 1 684 66 66 THR H H 7.968 0.030 1 685 66 66 THR HA H 4.146 0.030 1 686 66 66 THR HB H 4.071 0.030 1 687 66 66 THR HG2 H 1.058 0.030 1 688 66 66 THR C C 174.612 0.300 1 689 66 66 THR CA C 61.676 0.300 1 690 66 66 THR CB C 69.900 0.300 1 691 66 66 THR CG2 C 21.272 0.300 1 692 66 66 THR N N 116.312 0.300 1 693 67 67 GLY H H 7.197 0.030 1 694 67 67 GLY HA2 H 3.442 0.030 2 695 67 67 GLY HA3 H 3.697 0.030 2 696 67 67 GLY C C 173.600 0.300 1 697 67 67 GLY CA C 45.204 0.300 1 698 67 67 GLY N N 109.668 0.300 1 699 68 68 LEU H H 7.830 0.030 1 700 68 68 LEU HA H 4.283 0.030 1 701 68 68 LEU HB2 H 1.486 0.030 1 702 68 68 LEU HB3 H 1.486 0.030 1 703 68 68 LEU HD1 H 0.781 0.030 1 704 68 68 LEU HD2 H 0.756 0.030 1 705 68 68 LEU HG H 1.469 0.030 1 706 68 68 LEU C C 176.454 0.300 1 707 68 68 LEU CA C 55.024 0.300 1 708 68 68 LEU CB C 42.441 0.300 1 709 68 68 LEU CD1 C 24.990 0.300 2 710 68 68 LEU CD2 C 23.187 0.300 2 711 68 68 LEU CG C 26.897 0.300 1 712 68 68 LEU N N 121.225 0.300 1 713 69 69 GLU H H 7.902 0.030 1 714 69 69 GLU HA H 4.092 0.030 1 715 69 69 GLU HB2 H 2.028 0.030 2 716 69 69 GLU HB3 H 1.885 0.030 2 717 69 69 GLU HG2 H 2.189 0.030 1 718 69 69 GLU HG3 H 2.189 0.030 1 719 69 69 GLU C C 181.112 0.300 1 720 69 69 GLU CA C 58.169 0.300 1 721 69 69 GLU CB C 31.170 0.300 1 722 69 69 GLU CG C 36.758 0.300 1 723 69 69 GLU N N 126.095 0.300 1 stop_ save_