data_11353 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of PHD domain in inhibitor of growth protein 3 (ING3) ; _BMRB_accession_number 11353 _BMRB_flat_file_name bmr11353.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" 361 "13C chemical shifts" 265 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of PHD domain in inhibitor of growth protein 3 (ING3)' _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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 'Inhibitor of growth protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PHD 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 'PHD domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGYCICNQVSYGEMV GCDNQDCPIEWFHYGCVGLT EAPKGKWYCPQCTAAMKRRG SRHKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 TYR 9 CYS 10 ILE 11 CYS 12 ASN 13 GLN 14 VAL 15 SER 16 TYR 17 GLY 18 GLU 19 MET 20 VAL 21 GLY 22 CYS 23 ASP 24 ASN 25 GLN 26 ASP 27 CYS 28 PRO 29 ILE 30 GLU 31 TRP 32 PHE 33 HIS 34 TYR 35 GLY 36 CYS 37 VAL 38 GLY 39 LEU 40 THR 41 GLU 42 ALA 43 PRO 44 LYS 45 GLY 46 LYS 47 TRP 48 TYR 49 CYS 50 PRO 51 GLN 52 CYS 53 THR 54 ALA 55 ALA 56 MET 57 LYS 58 ARG 59 ARG 60 GLY 61 SER 62 ARG 63 HIS 64 LYS 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 1X4I "Solution Structure Of Phd Domain In Inhibitor Of Growth Protein 3 (Ing3)" 100.00 70 100.00 100.00 4.49e-43 DBJ BAA90942 "unnamed protein product [Homo sapiens]" 81.43 418 100.00 100.00 1.40e-36 DBJ BAC38021 "unnamed protein product [Mus musculus]" 81.43 412 98.25 100.00 4.39e-36 DBJ BAE43273 "unnamed protein product [Mus musculus]" 81.43 407 98.25 100.00 3.74e-36 DBJ BAG57123 "unnamed protein product [Homo sapiens]" 81.43 403 100.00 100.00 1.16e-36 DBJ BAG73291 "inhibitor of growth family, member 3 [synthetic construct]" 81.43 418 100.00 100.00 1.64e-36 EMBL CAF90810 "unnamed protein product [Tetraodon nigroviridis]" 81.43 441 98.25 98.25 2.31e-35 EMBL CAG31907 "hypothetical protein RCJMB04_13g20 [Gallus gallus]" 81.43 417 100.00 100.00 1.24e-36 EMBL CAH90959 "hypothetical protein [Pongo abelii]" 81.43 403 100.00 100.00 1.28e-36 EMBL CAJ83008 "inhibitor of growth family, member 3 [Xenopus (Silurana) tropicalis]" 81.43 417 98.25 100.00 6.76e-36 EMBL CDQ78875 "unnamed protein product [Oncorhynchus mykiss]" 81.43 425 98.25 98.25 1.17e-35 GB AAG12172 "p47ING3 protein [Homo sapiens]" 81.43 418 100.00 100.00 1.64e-36 GB AAG23285 "p47 [Homo sapiens]" 81.43 418 100.00 100.00 1.40e-36 GB AAG23286 "p47 [Mus musculus]" 81.43 412 98.25 100.00 4.30e-36 GB AAH05721 "Ing3 protein, partial [Mus musculus]" 81.43 201 98.25 100.00 2.01e-37 GB AAH18342 "Inhibitor of growth family, member 3 [Mus musculus]" 81.43 412 98.25 100.00 4.39e-36 REF NP_001008672 "inhibitor of growth protein 3 [Xenopus (Silurana) tropicalis]" 81.43 417 98.25 100.00 6.76e-36 REF NP_001025904 "inhibitor of growth protein 3 [Gallus gallus]" 81.43 417 100.00 100.00 1.49e-36 REF NP_001029279 "inhibitor of growth protein 3 [Rattus norvegicus]" 81.43 421 98.25 100.00 5.20e-36 REF NP_001080280 "inhibitor of growth protein 3 [Xenopus laevis]" 81.43 416 98.25 100.00 6.90e-36 REF NP_001125551 "inhibitor of growth protein 3 [Pongo abelii]" 81.43 403 100.00 100.00 1.28e-36 SP Q498T3 "RecName: Full=Inhibitor of growth protein 3" 81.43 421 98.25 100.00 5.20e-36 SP Q5RBA1 "RecName: Full=Inhibitor of growth protein 3" 81.43 403 100.00 100.00 1.28e-36 SP Q5ZK36 "RecName: Full=Inhibitor of growth protein 3" 81.43 417 100.00 100.00 1.24e-36 SP Q66KD5 "RecName: Full=Inhibitor of growth protein 3" 81.43 417 98.25 100.00 6.76e-36 SP Q7ZX31 "RecName: Full=Inhibitor of growth protein 3" 81.43 416 98.25 100.00 6.90e-36 TPG DAA30453 "TPA: inhibitor of growth family, member 3-like [Bos taurus]" 81.43 418 100.00 100.00 1.65e-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 P040705-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM {U-15,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 0.1mM {ZnCl2;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % '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 0.863 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 700 _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 'PHD 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 5 5 SER HA H 4.486 0.030 1 2 5 5 SER HB2 H 3.856 0.030 1 3 5 5 SER HB3 H 3.856 0.030 1 4 5 5 SER C C 174.576 0.300 1 5 5 5 SER CA C 58.163 0.300 1 6 5 5 SER CB C 64.013 0.300 1 7 6 6 SER H H 8.348 0.030 1 8 6 6 SER HA H 4.431 0.030 1 9 6 6 SER HB2 H 3.812 0.030 1 10 6 6 SER HB3 H 3.812 0.030 1 11 6 6 SER C C 174.139 0.300 1 12 6 6 SER CA C 58.504 0.300 1 13 6 6 SER CB C 63.957 0.300 1 14 6 6 SER N N 117.629 0.300 1 15 7 7 GLY H H 8.033 0.030 1 16 7 7 GLY HA2 H 3.739 0.030 2 17 7 7 GLY HA3 H 3.660 0.030 2 18 7 7 GLY C C 172.608 0.300 1 19 7 7 GLY CA C 44.822 0.300 1 20 7 7 GLY N N 109.596 0.300 1 21 8 8 TYR H H 8.102 0.030 1 22 8 8 TYR HA H 4.796 0.030 1 23 8 8 TYR HB2 H 2.964 0.030 2 24 8 8 TYR HB3 H 2.472 0.030 2 25 8 8 TYR HD1 H 7.110 0.030 1 26 8 8 TYR HD2 H 7.110 0.030 1 27 8 8 TYR HE1 H 6.811 0.030 1 28 8 8 TYR HE2 H 6.811 0.030 1 29 8 8 TYR C C 174.172 0.300 1 30 8 8 TYR CA C 57.050 0.300 1 31 8 8 TYR CB C 40.938 0.300 1 32 8 8 TYR CD1 C 132.988 0.300 1 33 8 8 TYR CD2 C 132.988 0.300 1 34 8 8 TYR CE1 C 118.234 0.300 1 35 8 8 TYR CE2 C 118.234 0.300 1 36 8 8 TYR N N 119.420 0.300 1 37 9 9 CYS H H 7.558 0.030 1 38 9 9 CYS HA H 3.720 0.030 1 39 9 9 CYS HB2 H 4.360 0.030 2 40 9 9 CYS HB3 H 2.379 0.030 2 41 9 9 CYS C C 175.086 0.300 1 42 9 9 CYS CA C 59.167 0.300 1 43 9 9 CYS CB C 30.009 0.300 1 44 9 9 CYS N N 118.482 0.300 1 45 10 10 ILE H H 10.140 0.030 1 46 10 10 ILE HA H 4.531 0.030 1 47 10 10 ILE HB H 2.299 0.030 1 48 10 10 ILE HD1 H 1.136 0.030 1 49 10 10 ILE HG12 H 1.710 0.030 2 50 10 10 ILE HG13 H 1.591 0.030 2 51 10 10 ILE HG2 H 1.301 0.030 1 52 10 10 ILE C C 176.916 0.300 1 53 10 10 ILE CA C 62.848 0.300 1 54 10 10 ILE CB C 39.260 0.300 1 55 10 10 ILE CD1 C 14.234 0.300 1 56 10 10 ILE CG1 C 27.889 0.300 1 57 10 10 ILE CG2 C 19.585 0.300 1 58 10 10 ILE N N 121.899 0.300 1 59 11 11 CYS H H 7.839 0.030 1 60 11 11 CYS HA H 4.732 0.030 1 61 11 11 CYS HB2 H 3.310 0.030 2 62 11 11 CYS HB3 H 3.209 0.030 2 63 11 11 CYS C C 175.995 0.300 1 64 11 11 CYS CA C 57.694 0.300 1 65 11 11 CYS CB C 31.865 0.300 1 66 11 11 CYS N N 118.761 0.300 1 67 12 12 ASN H H 8.271 0.030 1 68 12 12 ASN HA H 4.586 0.030 1 69 12 12 ASN HB2 H 3.183 0.030 2 70 12 12 ASN HB3 H 2.773 0.030 2 71 12 12 ASN HD21 H 7.488 0.030 2 72 12 12 ASN HD22 H 6.769 0.030 2 73 12 12 ASN C C 174.238 0.300 1 74 12 12 ASN CA C 55.142 0.300 1 75 12 12 ASN CB C 37.840 0.300 1 76 12 12 ASN N N 120.651 0.300 1 77 12 12 ASN ND2 N 112.034 0.300 1 78 13 13 GLN H H 8.245 0.030 1 79 13 13 GLN HA H 4.811 0.030 1 80 13 13 GLN HB2 H 2.379 0.030 2 81 13 13 GLN HB3 H 2.292 0.030 2 82 13 13 GLN HE21 H 6.848 0.030 2 83 13 13 GLN HE22 H 7.509 0.030 2 84 13 13 GLN HG2 H 2.518 0.030 2 85 13 13 GLN HG3 H 2.438 0.030 2 86 13 13 GLN C C 175.709 0.300 1 87 13 13 GLN CA C 54.708 0.300 1 88 13 13 GLN CB C 31.803 0.300 1 89 13 13 GLN CG C 34.224 0.300 1 90 13 13 GLN N N 117.753 0.300 1 91 13 13 GLN NE2 N 113.251 0.300 1 92 14 14 VAL H H 8.024 0.030 1 93 14 14 VAL HA H 4.209 0.030 1 94 14 14 VAL HB H 2.326 0.030 1 95 14 14 VAL HG1 H 0.990 0.030 1 96 14 14 VAL HG2 H 0.976 0.030 1 97 14 14 VAL C C 175.982 0.300 1 98 14 14 VAL CA C 61.925 0.300 1 99 14 14 VAL CB C 32.633 0.300 1 100 14 14 VAL CG1 C 21.238 0.300 2 101 14 14 VAL CG2 C 18.979 0.300 2 102 14 14 VAL N N 115.108 0.300 1 103 15 15 SER H H 8.239 0.030 1 104 15 15 SER HA H 4.039 0.030 1 105 15 15 SER HB2 H 3.474 0.030 1 106 15 15 SER HB3 H 3.474 0.030 1 107 15 15 SER C C 173.726 0.300 1 108 15 15 SER CA C 58.894 0.300 1 109 15 15 SER CB C 63.355 0.300 1 110 15 15 SER N N 116.624 0.300 1 111 16 16 TYR H H 7.583 0.030 1 112 16 16 TYR HA H 4.608 0.030 1 113 16 16 TYR HB2 H 3.101 0.030 2 114 16 16 TYR HB3 H 2.882 0.030 2 115 16 16 TYR HD1 H 6.937 0.030 1 116 16 16 TYR HD2 H 6.937 0.030 1 117 16 16 TYR HE1 H 6.501 0.030 1 118 16 16 TYR HE2 H 6.501 0.030 1 119 16 16 TYR C C 174.724 0.300 1 120 16 16 TYR CA C 57.772 0.300 1 121 16 16 TYR CB C 39.132 0.300 1 122 16 16 TYR CD1 C 133.690 0.300 1 123 16 16 TYR CD2 C 133.690 0.300 1 124 16 16 TYR CE1 C 117.453 0.300 1 125 16 16 TYR CE2 C 117.453 0.300 1 126 16 16 TYR N N 120.403 0.300 1 127 17 17 GLY H H 8.509 0.030 1 128 17 17 GLY HA2 H 3.889 0.030 2 129 17 17 GLY HA3 H 3.769 0.030 2 130 17 17 GLY C C 173.226 0.300 1 131 17 17 GLY CA C 45.515 0.300 1 132 17 17 GLY N N 109.240 0.300 1 133 18 18 GLU H H 8.241 0.030 1 134 18 18 GLU HA H 3.994 0.030 1 135 18 18 GLU HB2 H 0.977 0.030 2 136 18 18 GLU HB3 H 0.631 0.030 2 137 18 18 GLU HG2 H 1.959 0.030 2 138 18 18 GLU HG3 H 1.900 0.030 2 139 18 18 GLU C C 176.061 0.300 1 140 18 18 GLU CA C 56.642 0.300 1 141 18 18 GLU CB C 28.331 0.300 1 142 18 18 GLU CG C 36.243 0.300 1 143 18 18 GLU N N 121.706 0.300 1 144 19 19 MET H H 8.306 0.030 1 145 19 19 MET HA H 5.454 0.030 1 146 19 19 MET HB2 H 1.852 0.030 2 147 19 19 MET HB3 H 1.681 0.030 2 148 19 19 MET HE H 1.173 0.030 1 149 19 19 MET HG2 H 2.298 0.030 2 150 19 19 MET HG3 H 2.061 0.030 2 151 19 19 MET C C 174.951 0.300 1 152 19 19 MET CA C 53.406 0.300 1 153 19 19 MET CB C 35.338 0.300 1 154 19 19 MET CE C 15.422 0.300 1 155 19 19 MET CG C 31.921 0.300 1 156 19 19 MET N N 122.472 0.300 1 157 20 20 VAL H H 9.704 0.030 1 158 20 20 VAL HA H 4.750 0.030 1 159 20 20 VAL HB H 1.538 0.030 1 160 20 20 VAL HG1 H 0.304 0.030 1 161 20 20 VAL HG2 H -0.059 0.030 1 162 20 20 VAL C C 172.089 0.300 1 163 20 20 VAL CA C 59.079 0.300 1 164 20 20 VAL CB C 34.880 0.300 1 165 20 20 VAL CG1 C 21.167 0.300 2 166 20 20 VAL CG2 C 18.070 0.300 2 167 20 20 VAL N N 122.930 0.300 1 168 21 21 GLY H H 8.403 0.030 1 169 21 21 GLY HA2 H 4.687 0.030 2 170 21 21 GLY HA3 H 2.472 0.030 2 171 21 21 GLY C C 172.907 0.300 1 172 21 21 GLY CA C 43.456 0.300 1 173 21 21 GLY N N 116.525 0.300 1 174 22 22 CYS H H 8.549 0.030 1 175 22 22 CYS HA H 4.609 0.030 1 176 22 22 CYS HB2 H 3.163 0.030 1 177 22 22 CYS HB3 H 3.163 0.030 1 178 22 22 CYS C C 176.974 0.300 1 179 22 22 CYS CA C 60.401 0.300 1 180 22 22 CYS CB C 32.340 0.300 1 181 22 22 CYS N N 126.689 0.300 1 182 23 23 ASP H H 9.134 0.030 1 183 23 23 ASP HA H 4.659 0.030 1 184 23 23 ASP HB2 H 2.472 0.030 2 185 23 23 ASP HB3 H 1.852 0.030 2 186 23 23 ASP C C 176.548 0.300 1 187 23 23 ASP CA C 56.890 0.300 1 188 23 23 ASP CB C 41.025 0.300 1 189 23 23 ASP N N 127.423 0.300 1 190 24 24 ASN H H 8.838 0.030 1 191 24 24 ASN HA H 4.987 0.030 1 192 24 24 ASN HB2 H 3.989 0.030 2 193 24 24 ASN HB3 H 2.787 0.030 2 194 24 24 ASN HD21 H 9.235 0.030 2 195 24 24 ASN HD22 H 7.027 0.030 2 196 24 24 ASN C C 176.507 0.300 1 197 24 24 ASN CA C 53.148 0.300 1 198 24 24 ASN CB C 38.013 0.300 1 199 24 24 ASN N N 121.359 0.300 1 200 24 24 ASN ND2 N 116.140 0.300 1 201 25 25 GLN H H 9.207 0.030 1 202 25 25 GLN HA H 4.107 0.030 1 203 25 25 GLN HB2 H 2.098 0.030 1 204 25 25 GLN HB3 H 2.098 0.030 1 205 25 25 GLN HE21 H 6.853 0.030 2 206 25 25 GLN HE22 H 7.598 0.030 2 207 25 25 GLN HG2 H 2.426 0.030 1 208 25 25 GLN HG3 H 2.426 0.030 1 209 25 25 GLN C C 175.982 0.300 1 210 25 25 GLN CA C 58.380 0.300 1 211 25 25 GLN CB C 28.245 0.300 1 212 25 25 GLN CG C 33.792 0.300 1 213 25 25 GLN N N 129.682 0.300 1 214 25 25 GLN NE2 N 112.762 0.300 1 215 26 26 ASP H H 7.501 0.030 1 216 26 26 ASP HA H 4.778 0.030 1 217 26 26 ASP HB2 H 2.873 0.030 2 218 26 26 ASP HB3 H 2.428 0.030 2 219 26 26 ASP C C 174.884 0.300 1 220 26 26 ASP CA C 53.507 0.300 1 221 26 26 ASP CB C 41.014 0.300 1 222 26 26 ASP N N 116.373 0.300 1 223 27 27 CYS H H 7.618 0.030 1 224 27 27 CYS HA H 4.070 0.030 1 225 27 27 CYS HB2 H 3.505 0.030 2 226 27 27 CYS HB3 H 2.844 0.030 2 227 27 27 CYS C C 176.271 0.300 1 228 27 27 CYS CA C 59.391 0.300 1 229 27 27 CYS CB C 31.175 0.300 1 230 27 27 CYS N N 126.200 0.300 1 231 28 28 PRO HA H 4.523 0.030 1 232 28 28 PRO HB2 H 2.328 0.030 2 233 28 28 PRO HB3 H 2.040 0.030 2 234 28 28 PRO HD2 H 4.344 0.030 2 235 28 28 PRO HD3 H 3.733 0.030 2 236 28 28 PRO HG2 H 2.061 0.030 2 237 28 28 PRO HG3 H 1.970 0.030 2 238 28 28 PRO C C 176.624 0.300 1 239 28 28 PRO CA C 64.077 0.300 1 240 28 28 PRO CB C 32.475 0.300 1 241 28 28 PRO CD C 51.729 0.300 1 242 28 28 PRO CG C 26.955 0.300 1 243 29 29 ILE H H 8.381 0.030 1 244 29 29 ILE HA H 4.122 0.030 1 245 29 29 ILE HB H 1.743 0.030 1 246 29 29 ILE HD1 H 0.910 0.030 1 247 29 29 ILE HG12 H 1.469 0.030 2 248 29 29 ILE HG13 H 1.107 0.030 2 249 29 29 ILE HG2 H 0.284 0.030 1 250 29 29 ILE C C 177.512 0.300 1 251 29 29 ILE CA C 62.883 0.300 1 252 29 29 ILE CB C 40.366 0.300 1 253 29 29 ILE CD1 C 12.698 0.300 1 254 29 29 ILE CG1 C 28.439 0.300 1 255 29 29 ILE CG2 C 18.373 0.300 1 256 29 29 ILE N N 123.330 0.300 1 257 30 30 GLU H H 9.494 0.030 1 258 30 30 GLU HA H 3.739 0.030 1 259 30 30 GLU HB2 H 2.349 0.030 2 260 30 30 GLU HB3 H 1.980 0.030 2 261 30 30 GLU HG2 H 1.909 0.030 2 262 30 30 GLU HG3 H 1.657 0.030 2 263 30 30 GLU C C 175.942 0.300 1 264 30 30 GLU CA C 62.998 0.300 1 265 30 30 GLU CB C 29.916 0.300 1 266 30 30 GLU CG C 36.688 0.300 1 267 30 30 GLU N N 119.996 0.300 1 268 31 31 TRP H H 7.843 0.030 1 269 31 31 TRP HA H 5.429 0.030 1 270 31 31 TRP HB2 H 2.791 0.030 2 271 31 31 TRP HB3 H 2.508 0.030 2 272 31 31 TRP HD1 H 6.984 0.030 1 273 31 31 TRP HE1 H 9.896 0.030 1 274 31 31 TRP HE3 H 7.094 0.030 1 275 31 31 TRP HH2 H 7.143 0.030 1 276 31 31 TRP HZ2 H 7.400 0.030 1 277 31 31 TRP HZ3 H 6.880 0.030 1 278 31 31 TRP C C 174.877 0.300 1 279 31 31 TRP CA C 55.978 0.300 1 280 31 31 TRP CB C 32.934 0.300 1 281 31 31 TRP CD1 C 127.400 0.300 1 282 31 31 TRP CE3 C 119.851 0.300 1 283 31 31 TRP CH2 C 124.584 0.300 1 284 31 31 TRP CZ2 C 114.636 0.300 1 285 31 31 TRP CZ3 C 121.889 0.300 1 286 31 31 TRP N N 120.187 0.300 1 287 31 31 TRP NE1 N 128.477 0.300 1 288 32 32 PHE H H 9.234 0.030 1 289 32 32 PHE HA H 4.926 0.030 1 290 32 32 PHE HB2 H 3.201 0.030 2 291 32 32 PHE HB3 H 2.774 0.030 2 292 32 32 PHE HD1 H 7.580 0.030 1 293 32 32 PHE HD2 H 7.580 0.030 1 294 32 32 PHE HE1 H 7.349 0.030 1 295 32 32 PHE HE2 H 7.349 0.030 1 296 32 32 PHE HZ H 7.870 0.030 1 297 32 32 PHE C C 176.195 0.300 1 298 32 32 PHE CA C 55.950 0.300 1 299 32 32 PHE CB C 42.736 0.300 1 300 32 32 PHE CD1 C 132.679 0.300 1 301 32 32 PHE CD2 C 132.679 0.300 1 302 32 32 PHE CE1 C 130.724 0.300 1 303 32 32 PHE CE2 C 130.724 0.300 1 304 32 32 PHE CZ C 131.567 0.300 1 305 32 32 PHE N N 117.651 0.300 1 306 33 33 HIS H H 9.554 0.030 1 307 33 33 HIS HA H 4.965 0.030 1 308 33 33 HIS HB2 H 3.961 0.030 2 309 33 33 HIS HB3 H 3.566 0.030 2 310 33 33 HIS HD2 H 6.861 0.030 1 311 33 33 HIS HE1 H 7.538 0.030 1 312 33 33 HIS C C 178.245 0.300 1 313 33 33 HIS CA C 58.141 0.300 1 314 33 33 HIS CB C 30.956 0.300 1 315 33 33 HIS CD2 C 118.603 0.300 1 316 33 33 HIS CE1 C 137.980 0.300 1 317 33 33 HIS N N 123.546 0.300 1 318 34 34 TYR H H 8.577 0.030 1 319 34 34 TYR HA H 3.932 0.030 1 320 34 34 TYR HB2 H 3.219 0.030 2 321 34 34 TYR HB3 H 2.943 0.030 2 322 34 34 TYR HD1 H 6.528 0.030 1 323 34 34 TYR HD2 H 6.528 0.030 1 324 34 34 TYR HE1 H 6.333 0.030 1 325 34 34 TYR HE2 H 6.333 0.030 1 326 34 34 TYR C C 178.896 0.300 1 327 34 34 TYR CA C 60.621 0.300 1 328 34 34 TYR CB C 36.764 0.300 1 329 34 34 TYR CD1 C 130.329 0.300 1 330 34 34 TYR CD2 C 130.329 0.300 1 331 34 34 TYR CE1 C 117.731 0.300 1 332 34 34 TYR CE2 C 117.731 0.300 1 333 34 34 TYR N N 124.231 0.300 1 334 35 35 GLY H H 9.182 0.030 1 335 35 35 GLY HA2 H 4.090 0.030 2 336 35 35 GLY HA3 H 3.967 0.030 2 337 35 35 GLY C C 177.040 0.300 1 338 35 35 GLY CA C 46.715 0.300 1 339 35 35 GLY N N 102.547 0.300 1 340 36 36 CYS H H 7.441 0.030 1 341 36 36 CYS HA H 4.360 0.030 1 342 36 36 CYS HB2 H 3.300 0.030 2 343 36 36 CYS HB3 H 3.260 0.030 2 344 36 36 CYS C C 176.780 0.300 1 345 36 36 CYS CA C 62.228 0.300 1 346 36 36 CYS CB C 30.536 0.300 1 347 36 36 CYS N N 119.838 0.300 1 348 37 37 VAL H H 7.344 0.030 1 349 37 37 VAL HA H 4.741 0.030 1 350 37 37 VAL HB H 2.800 0.030 1 351 37 37 VAL HG1 H 1.002 0.030 1 352 37 37 VAL HG2 H 0.851 0.030 1 353 37 37 VAL C C 175.789 0.300 1 354 37 37 VAL CA C 60.095 0.300 1 355 37 37 VAL CB C 32.055 0.300 1 356 37 37 VAL CG1 C 22.341 0.300 2 357 37 37 VAL CG2 C 18.002 0.300 2 358 37 37 VAL N N 106.899 0.300 1 359 38 38 GLY H H 7.598 0.030 1 360 38 38 GLY HA2 H 4.048 0.030 2 361 38 38 GLY HA3 H 3.880 0.030 2 362 38 38 GLY C C 174.644 0.300 1 363 38 38 GLY CA C 46.844 0.300 1 364 38 38 GLY N N 109.117 0.300 1 365 39 39 LEU H H 7.936 0.030 1 366 39 39 LEU HA H 4.572 0.030 1 367 39 39 LEU HB2 H 0.986 0.030 2 368 39 39 LEU HB3 H 0.791 0.030 2 369 39 39 LEU HD1 H -0.220 0.030 1 370 39 39 LEU HD2 H 0.624 0.030 1 371 39 39 LEU HG H 1.281 0.030 1 372 39 39 LEU C C 177.406 0.300 1 373 39 39 LEU CA C 53.963 0.300 1 374 39 39 LEU CB C 43.638 0.300 1 375 39 39 LEU CD1 C 25.421 0.300 2 376 39 39 LEU CD2 C 22.601 0.300 2 377 39 39 LEU CG C 26.465 0.300 1 378 39 39 LEU N N 119.737 0.300 1 379 40 40 THR H H 8.820 0.030 1 380 40 40 THR HA H 4.390 0.030 1 381 40 40 THR HB H 4.379 0.030 1 382 40 40 THR HG2 H 1.143 0.030 1 383 40 40 THR C C 173.666 0.300 1 384 40 40 THR CA C 61.639 0.300 1 385 40 40 THR CB C 69.596 0.300 1 386 40 40 THR CG2 C 21.851 0.300 1 387 40 40 THR N N 110.687 0.300 1 388 41 41 GLU H H 7.485 0.030 1 389 41 41 GLU HA H 4.550 0.030 1 390 41 41 GLU HB2 H 2.148 0.030 2 391 41 41 GLU HB3 H 1.910 0.030 2 392 41 41 GLU HG2 H 2.122 0.030 2 393 41 41 GLU HG3 H 2.019 0.030 2 394 41 41 GLU C C 173.660 0.300 1 395 41 41 GLU CA C 54.263 0.300 1 396 41 41 GLU CB C 32.290 0.300 1 397 41 41 GLU CG C 34.952 0.300 1 398 41 41 GLU N N 118.762 0.300 1 399 42 42 ALA H H 8.543 0.030 1 400 42 42 ALA HA H 4.167 0.030 1 401 42 42 ALA HB H 1.345 0.030 1 402 42 42 ALA C C 176.058 0.300 1 403 42 42 ALA CA C 50.959 0.300 1 404 42 42 ALA CB C 17.362 0.300 1 405 42 42 ALA N N 124.263 0.300 1 406 43 43 PRO HA H 4.331 0.030 1 407 43 43 PRO HB2 H 2.217 0.030 2 408 43 43 PRO HB3 H 1.962 0.030 2 409 43 43 PRO HD2 H 3.483 0.030 2 410 43 43 PRO HD3 H 3.305 0.030 2 411 43 43 PRO HG2 H 1.780 0.030 2 412 43 43 PRO HG3 H 1.496 0.030 2 413 43 43 PRO C C 176.823 0.300 1 414 43 43 PRO CA C 62.757 0.300 1 415 43 43 PRO CB C 32.130 0.300 1 416 43 43 PRO CD C 50.126 0.300 1 417 43 43 PRO CG C 27.460 0.300 1 418 44 44 LYS H H 8.609 0.030 1 419 44 44 LYS HA H 4.356 0.030 1 420 44 44 LYS HB2 H 1.861 0.030 2 421 44 44 LYS HB3 H 1.716 0.030 2 422 44 44 LYS HD2 H 1.664 0.030 1 423 44 44 LYS HD3 H 1.664 0.030 1 424 44 44 LYS HE2 H 2.999 0.030 1 425 44 44 LYS HE3 H 2.999 0.030 1 426 44 44 LYS HG2 H 1.503 0.030 2 427 44 44 LYS HG3 H 1.426 0.030 2 428 44 44 LYS C C 176.853 0.300 1 429 44 44 LYS CA C 56.004 0.300 1 430 44 44 LYS CB C 32.591 0.300 1 431 44 44 LYS CD C 28.873 0.300 1 432 44 44 LYS CE C 42.301 0.300 1 433 44 44 LYS CG C 25.037 0.300 1 434 44 44 LYS N N 122.128 0.300 1 435 45 45 GLY H H 7.974 0.030 1 436 45 45 GLY HA2 H 4.039 0.030 2 437 45 45 GLY HA3 H 3.890 0.030 2 438 45 45 GLY C C 173.147 0.300 1 439 45 45 GLY CA C 44.400 0.300 1 440 45 45 GLY N N 110.637 0.300 1 441 46 46 LYS H H 8.205 0.030 1 442 46 46 LYS HA H 4.279 0.030 1 443 46 46 LYS HB2 H 1.706 0.030 2 444 46 46 LYS HB3 H 1.370 0.030 2 445 46 46 LYS HD2 H 1.671 0.030 2 446 46 46 LYS HD3 H 1.573 0.030 2 447 46 46 LYS HE2 H 2.979 0.030 1 448 46 46 LYS HE3 H 2.979 0.030 1 449 46 46 LYS HG2 H 1.504 0.030 2 450 46 46 LYS HG3 H 1.348 0.030 2 451 46 46 LYS C C 176.368 0.300 1 452 46 46 LYS CA C 56.150 0.300 1 453 46 46 LYS CB C 33.464 0.300 1 454 46 46 LYS CD C 28.974 0.300 1 455 46 46 LYS CE C 42.402 0.300 1 456 46 46 LYS CG C 25.187 0.300 1 457 46 46 LYS N N 120.968 0.300 1 458 47 47 TRP H H 9.515 0.030 1 459 47 47 TRP HA H 4.313 0.030 1 460 47 47 TRP HB2 H 3.146 0.030 2 461 47 47 TRP HB3 H 2.663 0.030 2 462 47 47 TRP HD1 H 7.205 0.030 1 463 47 47 TRP HE1 H 9.899 0.030 1 464 47 47 TRP HE3 H 7.413 0.030 1 465 47 47 TRP HH2 H 5.862 0.030 1 466 47 47 TRP HZ2 H 6.952 0.030 1 467 47 47 TRP HZ3 H 6.364 0.030 1 468 47 47 TRP C C 171.963 0.300 1 469 47 47 TRP CA C 58.799 0.300 1 470 47 47 TRP CB C 31.622 0.300 1 471 47 47 TRP CD1 C 126.144 0.300 1 472 47 47 TRP CE3 C 122.834 0.300 1 473 47 47 TRP CH2 C 122.593 0.300 1 474 47 47 TRP CZ2 C 112.879 0.300 1 475 47 47 TRP CZ3 C 120.265 0.300 1 476 47 47 TRP N N 127.074 0.300 1 477 47 47 TRP NE1 N 128.309 0.300 1 478 48 48 TYR H H 7.000 0.030 1 479 48 48 TYR HA H 5.115 0.030 1 480 48 48 TYR HB2 H 2.378 0.030 2 481 48 48 TYR HB3 H 2.246 0.030 2 482 48 48 TYR HD1 H 6.828 0.030 1 483 48 48 TYR HD2 H 6.828 0.030 1 484 48 48 TYR HE1 H 6.421 0.030 1 485 48 48 TYR HE2 H 6.421 0.030 1 486 48 48 TYR C C 173.799 0.300 1 487 48 48 TYR CA C 54.263 0.300 1 488 48 48 TYR CB C 41.239 0.300 1 489 48 48 TYR CD1 C 133.511 0.300 1 490 48 48 TYR CD2 C 133.511 0.300 1 491 48 48 TYR CE1 C 117.585 0.300 1 492 48 48 TYR CE2 C 117.585 0.300 1 493 48 48 TYR N N 123.468 0.300 1 494 49 49 CYS H H 8.789 0.030 1 495 49 49 CYS HA H 3.580 0.030 1 496 49 49 CYS HB2 H 2.289 0.030 2 497 49 49 CYS HB3 H 1.960 0.030 2 498 49 49 CYS C C 174.899 0.300 1 499 49 49 CYS CA C 57.549 0.300 1 500 49 49 CYS CB C 30.163 0.300 1 501 49 49 CYS N N 125.138 0.300 1 502 50 50 PRO HA H 4.076 0.030 1 503 50 50 PRO HB2 H 2.399 0.030 2 504 50 50 PRO HB3 H 1.962 0.030 2 505 50 50 PRO HD2 H 3.553 0.030 2 506 50 50 PRO HD3 H 3.480 0.030 2 507 50 50 PRO HG2 H 2.209 0.030 2 508 50 50 PRO HG3 H 2.060 0.030 2 509 50 50 PRO C C 179.576 0.300 1 510 50 50 PRO CA C 66.462 0.300 1 511 50 50 PRO CB C 32.044 0.300 1 512 50 50 PRO CD C 50.343 0.300 1 513 50 50 PRO CG C 28.019 0.300 1 514 51 51 GLN H H 8.429 0.030 1 515 51 51 GLN HA H 4.149 0.030 1 516 51 51 GLN HB2 H 2.290 0.030 2 517 51 51 GLN HB3 H 2.160 0.030 2 518 51 51 GLN HE21 H 6.816 0.030 2 519 51 51 GLN HE22 H 7.647 0.030 2 520 51 51 GLN HG2 H 2.450 0.030 1 521 51 51 GLN HG3 H 2.450 0.030 1 522 51 51 GLN C C 179.162 0.300 1 523 51 51 GLN CA C 59.537 0.300 1 524 51 51 GLN CB C 28.931 0.300 1 525 51 51 GLN CG C 34.660 0.300 1 526 51 51 GLN N N 119.437 0.300 1 527 51 51 GLN NE2 N 111.404 0.300 1 528 52 52 CYS H H 9.149 0.030 1 529 52 52 CYS HA H 3.920 0.030 1 530 52 52 CYS HB2 H 2.850 0.030 2 531 52 52 CYS HB3 H 2.792 0.030 2 532 52 52 CYS C C 178.264 0.300 1 533 52 52 CYS CA C 65.052 0.300 1 534 52 52 CYS CB C 28.879 0.300 1 535 52 52 CYS N N 126.900 0.300 1 536 53 53 THR H H 8.712 0.030 1 537 53 53 THR HA H 3.519 0.030 1 538 53 53 THR HB H 4.067 0.030 1 539 53 53 THR HG2 H 1.054 0.030 1 540 53 53 THR C C 176.148 0.300 1 541 53 53 THR CA C 67.394 0.300 1 542 53 53 THR CB C 68.415 0.300 1 543 53 53 THR CG2 C 20.594 0.300 1 544 53 53 THR N N 117.383 0.300 1 545 54 54 ALA H H 7.470 0.030 1 546 54 54 ALA HA H 4.018 0.030 1 547 54 54 ALA HB H 1.431 0.030 1 548 54 54 ALA C C 180.040 0.300 1 549 54 54 ALA CA C 54.949 0.300 1 550 54 54 ALA CB C 17.899 0.300 1 551 54 54 ALA N N 122.769 0.300 1 552 55 55 ALA H H 7.744 0.030 1 553 55 55 ALA HA H 4.030 0.030 1 554 55 55 ALA HB H 1.415 0.030 1 555 55 55 ALA C C 180.220 0.300 1 556 55 55 ALA CA C 54.771 0.300 1 557 55 55 ALA CB C 18.372 0.300 1 558 55 55 ALA N N 120.558 0.300 1 559 56 56 MET H H 8.033 0.030 1 560 56 56 MET HA H 3.957 0.030 1 561 56 56 MET HB2 H 1.903 0.030 1 562 56 56 MET HB3 H 1.903 0.030 1 563 56 56 MET HE H 1.405 0.030 1 564 56 56 MET HG2 H 2.411 0.030 2 565 56 56 MET HG3 H 2.279 0.030 2 566 56 56 MET C C 178.111 0.300 1 567 56 56 MET CA C 58.112 0.300 1 568 56 56 MET CB C 33.064 0.300 1 569 56 56 MET CE C 16.139 0.300 1 570 56 56 MET CG C 32.104 0.300 1 571 56 56 MET N N 117.391 0.300 1 572 57 57 LYS H H 7.635 0.030 1 573 57 57 LYS HA H 4.094 0.030 1 574 57 57 LYS HB2 H 1.845 0.030 2 575 57 57 LYS HB3 H 1.787 0.030 2 576 57 57 LYS HD2 H 1.597 0.030 1 577 57 57 LYS HD3 H 1.597 0.030 1 578 57 57 LYS HE2 H 2.886 0.030 1 579 57 57 LYS HE3 H 2.886 0.030 1 580 57 57 LYS HG2 H 1.497 0.030 2 581 57 57 LYS HG3 H 1.376 0.030 2 582 57 57 LYS C C 177.845 0.300 1 583 57 57 LYS CA C 57.951 0.300 1 584 57 57 LYS CB C 32.485 0.300 1 585 57 57 LYS CD C 29.176 0.300 1 586 57 57 LYS CE C 42.099 0.300 1 587 57 57 LYS CG C 25.154 0.300 1 588 57 57 LYS N N 119.345 0.300 1 589 58 58 ARG H H 7.649 0.030 1 590 58 58 ARG HA H 4.204 0.030 1 591 58 58 ARG HB2 H 1.843 0.030 1 592 58 58 ARG HB3 H 1.843 0.030 1 593 58 58 ARG HD2 H 3.157 0.030 1 594 58 58 ARG HD3 H 3.157 0.030 1 595 58 58 ARG HG2 H 1.679 0.030 2 596 58 58 ARG HG3 H 1.572 0.030 2 597 58 58 ARG C C 177.093 0.300 1 598 58 58 ARG CA C 57.224 0.300 1 599 58 58 ARG CB C 30.569 0.300 1 600 58 58 ARG CD C 43.512 0.300 1 601 58 58 ARG CG C 27.460 0.300 1 602 58 58 ARG N N 118.960 0.300 1 603 59 59 ARG H H 7.919 0.030 1 604 59 59 ARG HA H 4.213 0.030 1 605 59 59 ARG HB2 H 1.816 0.030 1 606 59 59 ARG HB3 H 1.816 0.030 1 607 59 59 ARG HD2 H 3.129 0.030 1 608 59 59 ARG HD3 H 3.129 0.030 1 609 59 59 ARG HG2 H 1.637 0.030 1 610 59 59 ARG HG3 H 1.637 0.030 1 611 59 59 ARG C C 177.320 0.300 1 612 59 59 ARG CA C 57.189 0.300 1 613 59 59 ARG CB C 30.697 0.300 1 614 59 59 ARG CD C 43.389 0.300 1 615 59 59 ARG CG C 27.258 0.300 1 616 59 59 ARG N N 120.108 0.300 1 617 60 60 GLY H H 8.182 0.030 1 618 60 60 GLY HA2 H 3.985 0.030 1 619 60 60 GLY HA3 H 3.985 0.030 1 620 60 60 GLY C C 174.225 0.300 1 621 60 60 GLY CA C 45.386 0.300 1 622 60 60 GLY N N 108.582 0.300 1 623 61 61 SER H H 8.180 0.030 1 624 61 61 SER HA H 4.476 0.030 1 625 61 61 SER HB2 H 3.912 0.030 1 626 61 61 SER HB3 H 3.912 0.030 1 627 61 61 SER C C 174.247 0.300 1 628 61 61 SER CA C 58.254 0.300 1 629 61 61 SER CB C 63.988 0.300 1 630 61 61 SER N N 115.712 0.300 1 631 62 62 ARG HA H 4.304 0.030 1 632 62 62 ARG HB2 H 1.779 0.030 2 633 62 62 ARG HB3 H 1.695 0.030 2 634 62 62 ARG HD2 H 3.118 0.030 1 635 62 62 ARG HD3 H 3.118 0.030 1 636 62 62 ARG HG2 H 1.530 0.030 1 637 62 62 ARG HG3 H 1.530 0.030 1 638 62 62 ARG CA C 56.289 0.300 1 639 62 62 ARG CB C 30.579 0.300 1 640 62 62 ARG CD C 43.343 0.300 1 641 62 62 ARG CG C 26.985 0.300 1 642 63 63 HIS HA H 4.595 0.030 1 643 63 63 HIS HB2 H 3.088 0.030 2 644 63 63 HIS HB3 H 3.020 0.030 2 645 63 63 HIS HD2 H 6.983 0.030 1 646 63 63 HIS HE1 H 7.809 0.030 1 647 63 63 HIS C C 175.307 0.300 1 648 63 63 HIS CA C 56.408 0.300 1 649 63 63 HIS CB C 31.046 0.300 1 650 63 63 HIS CD2 C 119.894 0.300 1 651 63 63 HIS CE1 C 138.436 0.300 1 652 64 64 LYS H H 8.237 0.030 1 653 64 64 LYS HA H 4.308 0.030 1 654 64 64 LYS HB2 H 1.810 0.030 2 655 64 64 LYS HB3 H 1.710 0.030 2 656 64 64 LYS HD2 H 1.647 0.030 1 657 64 64 LYS HD3 H 1.647 0.030 1 658 64 64 LYS HE2 H 2.950 0.030 1 659 64 64 LYS HE3 H 2.950 0.030 1 660 64 64 LYS HG2 H 1.346 0.030 1 661 64 64 LYS HG3 H 1.346 0.030 1 662 64 64 LYS C C 176.158 0.300 1 663 64 64 LYS CA C 56.363 0.300 1 664 64 64 LYS CB C 33.164 0.300 1 665 64 64 LYS CD C 28.974 0.300 1 666 64 64 LYS CE C 42.099 0.300 1 667 64 64 LYS CG C 24.621 0.300 1 668 64 64 LYS N N 123.187 0.300 1 669 65 65 SER H H 8.363 0.030 1 670 65 65 SER C C 179.001 0.300 1 671 65 65 SER N N 117.257 0.300 1 672 66 66 GLY H H 8.239 0.030 1 673 66 66 GLY HA2 H 4.091 0.030 1 674 66 66 GLY HA3 H 4.091 0.030 1 675 66 66 GLY CA C 44.629 0.300 1 676 66 66 GLY N N 110.602 0.300 1 677 67 67 PRO HA H 4.440 0.030 1 678 67 67 PRO HB2 H 2.244 0.030 2 679 67 67 PRO HB3 H 1.962 0.030 2 680 67 67 PRO HD2 H 3.599 0.030 2 681 67 67 PRO HD3 H 3.540 0.030 2 682 67 67 PRO HG2 H 1.972 0.030 1 683 67 67 PRO HG3 H 1.972 0.030 1 684 67 67 PRO C C 177.382 0.300 1 685 67 67 PRO CA C 63.310 0.300 1 686 67 67 PRO CB C 32.130 0.300 1 687 67 67 PRO CD C 49.772 0.300 1 688 67 67 PRO CG C 27.107 0.300 1 689 68 68 SER H H 8.495 0.030 1 690 68 68 SER N N 116.187 0.300 1 stop_ save_