data_11314 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RING domain of the Synaptotagmin-like protein 4 ; _BMRB_accession_number 11314 _BMRB_flat_file_name bmr11314.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 Sato M. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 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" 364 "13C chemical shifts" 268 "15N chemical shifts" 61 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 Synaptotagmin-like protein 4' _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 Sato M. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 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 'Synaptotagmin-like protein 4' _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 76 _Mol_residue_sequence ; GSSGSSGLLEIKRKGAKRGS QHYSDRTCARCQESLGRLSP KTNTCRGCNHLVCRDCRIQE SNGTWRCKVCSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 LEU 10 GLU 11 ILE 12 LYS 13 ARG 14 LYS 15 GLY 16 ALA 17 LYS 18 ARG 19 GLY 20 SER 21 GLN 22 HIS 23 TYR 24 SER 25 ASP 26 ARG 27 THR 28 CYS 29 ALA 30 ARG 31 CYS 32 GLN 33 GLU 34 SER 35 LEU 36 GLY 37 ARG 38 LEU 39 SER 40 PRO 41 LYS 42 THR 43 ASN 44 THR 45 CYS 46 ARG 47 GLY 48 CYS 49 ASN 50 HIS 51 LEU 52 VAL 53 CYS 54 ARG 55 ASP 56 CYS 57 ARG 58 ILE 59 GLN 60 GLU 61 SER 62 ASN 63 GLY 64 THR 65 TRP 66 ARG 67 CYS 68 LYS 69 VAL 70 CYS 71 SER 72 GLY 73 PRO 74 SER 75 SER 76 GLY 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 PDB 2CSZ "Solution Structure Of The Ring Domain Of The Synaptotagmin- Like Protein 4" 100.00 76 100.00 100.00 3.43e-45 DBJ BAC04287 "unnamed protein product [Homo sapiens]" 84.21 671 98.44 100.00 4.93e-36 DBJ BAF85277 "unnamed protein product [Homo sapiens]" 84.21 671 98.44 100.00 5.29e-36 DBJ BAG10233 "synaptotagmin-like protein 4 [synthetic construct]" 84.21 671 98.44 100.00 5.08e-36 DBJ BAG35911 "unnamed protein product [Homo sapiens]" 84.21 671 98.44 100.00 4.93e-36 EMBL CAD97652 "hypothetical protein [Homo sapiens]" 84.21 671 98.44 100.00 5.08e-36 EMBL CAI42004 "synaptotagmin-like 4 [Homo sapiens]" 84.21 671 98.44 100.00 5.19e-36 EMBL CAI42005 "synaptotagmin-like 4 [Homo sapiens]" 84.21 349 98.44 100.00 2.51e-37 GB AAH14913 "Synaptotagmin-like 4 [Homo sapiens]" 84.21 671 98.44 100.00 5.08e-36 GB AAQ14492 "endocrine transmitter regulatory protein [Homo sapiens]" 84.21 673 98.44 100.00 4.67e-36 GB AIC57515 "SYTL4, partial [synthetic construct]" 84.21 671 98.44 100.00 5.08e-36 GB EAX02813 "synaptotagmin-like 4 (granuphilin-a), isoform CRA_a [Homo sapiens]" 84.21 671 98.44 100.00 5.19e-36 GB EAX02814 "synaptotagmin-like 4 (granuphilin-a), isoform CRA_a [Homo sapiens]" 84.21 671 98.44 100.00 5.19e-36 REF NP_001123368 "synaptotagmin-like protein 4 [Homo sapiens]" 84.21 671 98.44 100.00 5.19e-36 REF NP_001167539 "synaptotagmin-like protein 4 [Homo sapiens]" 84.21 671 98.44 100.00 5.19e-36 REF NP_542775 "synaptotagmin-like protein 4 [Homo sapiens]" 84.21 671 98.44 100.00 5.19e-36 REF XP_002808587 "PREDICTED: LOW QUALITY PROTEIN: synaptotagmin-like protein 4-like [Macaca mulatta]" 84.21 670 98.44 100.00 5.75e-36 REF XP_003276489 "PREDICTED: synaptotagmin-like protein 4 [Nomascus leucogenys]" 84.21 672 98.44 100.00 5.34e-36 SP Q96C24 "RecName: Full=Synaptotagmin-like protein 4; AltName: Full=Exophilin-2; AltName: Full=Granuphilin" 84.21 671 98.44 100.00 5.19e-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 P041101-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.37mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 0.1mM {NTA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.37 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' NTA 0.1 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 0.925 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 7 7 GLY HA2 H 3.952 0.030 1 2 7 7 GLY HA3 H 3.952 0.030 1 3 7 7 GLY C C 174.331 0.300 1 4 7 7 GLY CA C 45.590 0.300 1 5 8 8 LEU H H 8.021 0.030 1 6 8 8 LEU HA H 4.291 0.030 1 7 8 8 LEU HB2 H 1.573 0.030 2 8 8 8 LEU HB3 H 1.633 0.030 2 9 8 8 LEU HD1 H 0.912 0.030 1 10 8 8 LEU HD2 H 0.858 0.030 1 11 8 8 LEU HG H 1.579 0.030 1 12 8 8 LEU C C 177.614 0.300 1 13 8 8 LEU CA C 55.507 0.300 1 14 8 8 LEU CB C 42.261 0.300 1 15 8 8 LEU CD1 C 24.911 0.300 2 16 8 8 LEU CD2 C 23.645 0.300 2 17 8 8 LEU CG C 27.002 0.300 1 18 8 8 LEU N N 121.479 0.300 1 19 9 9 LEU H H 8.153 0.030 1 20 9 9 LEU HA H 4.289 0.030 1 21 9 9 LEU HB2 H 1.569 0.030 2 22 9 9 LEU HB3 H 1.653 0.030 2 23 9 9 LEU HD1 H 0.914 0.030 1 24 9 9 LEU HD2 H 0.855 0.030 1 25 9 9 LEU HG H 1.606 0.030 1 26 9 9 LEU C C 177.467 0.300 1 27 9 9 LEU CA C 55.432 0.300 1 28 9 9 LEU CB C 42.148 0.300 1 29 9 9 LEU CD1 C 24.710 0.300 2 30 9 9 LEU CD2 C 23.444 0.300 2 31 9 9 LEU CG C 27.002 0.300 1 32 9 9 LEU N N 122.140 0.300 1 33 10 10 GLU H H 8.216 0.030 1 34 10 10 GLU HA H 4.236 0.030 1 35 10 10 GLU HB2 H 1.940 0.030 2 36 10 10 GLU HB3 H 1.988 0.030 2 37 10 10 GLU HG2 H 2.178 0.030 2 38 10 10 GLU HG3 H 2.242 0.030 2 39 10 10 GLU C C 176.628 0.300 1 40 10 10 GLU CA C 56.853 0.300 1 41 10 10 GLU CB C 30.249 0.300 1 42 10 10 GLU CG C 36.295 0.300 1 43 10 10 GLU N N 121.865 0.300 1 44 11 11 ILE H H 8.099 0.030 1 45 11 11 ILE HA H 4.055 0.030 1 46 11 11 ILE HB H 1.853 0.030 1 47 11 11 ILE HD1 H 0.844 0.030 1 48 11 11 ILE HG12 H 1.191 0.030 2 49 11 11 ILE HG13 H 1.479 0.030 2 50 11 11 ILE HG2 H 0.880 0.030 1 51 11 11 ILE C C 176.631 0.300 1 52 11 11 ILE CA C 61.626 0.300 1 53 11 11 ILE CB C 38.448 0.300 1 54 11 11 ILE CD1 C 12.939 0.300 1 55 11 11 ILE CG1 C 27.654 0.300 1 56 11 11 ILE CG2 C 17.627 0.300 1 57 11 11 ILE N N 122.356 0.300 1 58 12 12 LYS H H 8.299 0.030 1 59 12 12 LYS HA H 4.285 0.030 1 60 12 12 LYS HB2 H 1.765 0.030 2 61 12 12 LYS HB3 H 1.801 0.030 2 62 12 12 LYS HD2 H 1.661 0.030 1 63 12 12 LYS HD3 H 1.661 0.030 1 64 12 12 LYS HE2 H 2.975 0.030 1 65 12 12 LYS HE3 H 2.975 0.030 1 66 12 12 LYS HG2 H 1.394 0.030 2 67 12 12 LYS HG3 H 1.462 0.030 2 68 12 12 LYS C C 176.728 0.300 1 69 12 12 LYS CA C 56.351 0.300 1 70 12 12 LYS CB C 32.929 0.300 1 71 12 12 LYS CD C 29.131 0.300 1 72 12 12 LYS CE C 42.002 0.300 1 73 12 12 LYS CG C 24.911 0.300 1 74 12 12 LYS N N 124.834 0.300 1 75 13 13 ARG H H 8.263 0.030 1 76 13 13 ARG HA H 4.283 0.030 1 77 13 13 ARG HB2 H 1.833 0.030 2 78 13 13 ARG HB3 H 1.754 0.030 2 79 13 13 ARG HD2 H 3.157 0.030 1 80 13 13 ARG HD3 H 3.157 0.030 1 81 13 13 ARG HG2 H 1.638 0.030 2 82 13 13 ARG HG3 H 1.629 0.030 2 83 13 13 ARG C C 176.533 0.300 1 84 13 13 ARG CA C 56.358 0.300 1 85 13 13 ARG CB C 30.845 0.300 1 86 13 13 ARG CD C 43.268 0.300 1 87 13 13 ARG CG C 27.249 0.300 1 88 13 13 ARG N N 122.141 0.300 1 89 14 14 LYS H H 8.372 0.030 1 90 14 14 LYS HA H 4.260 0.030 1 91 14 14 LYS HB2 H 1.807 0.030 1 92 14 14 LYS HB3 H 1.807 0.030 1 93 14 14 LYS HD2 H 1.657 0.030 1 94 14 14 LYS HD3 H 1.657 0.030 1 95 14 14 LYS HE2 H 2.981 0.030 1 96 14 14 LYS HE3 H 2.981 0.030 1 97 14 14 LYS HG2 H 1.407 0.030 1 98 14 14 LYS HG3 H 1.407 0.030 1 99 14 14 LYS C C 177.217 0.300 1 100 14 14 LYS CA C 56.984 0.300 1 101 14 14 LYS CB C 33.051 0.300 1 102 14 14 LYS CD C 29.214 0.300 1 103 14 14 LYS CE C 42.221 0.300 1 104 14 14 LYS CG C 24.895 0.300 1 105 14 14 LYS N N 122.796 0.300 1 106 15 15 GLY HA2 H 3.935 0.030 1 107 15 15 GLY HA3 H 3.935 0.030 1 108 15 15 GLY C C 173.820 0.300 1 109 15 15 GLY CA C 45.178 0.300 1 110 16 16 ALA H H 8.085 0.030 1 111 16 16 ALA HA H 4.303 0.030 1 112 16 16 ALA HB H 1.365 0.030 1 113 16 16 ALA C C 177.810 0.300 1 114 16 16 ALA CA C 52.290 0.300 1 115 16 16 ALA CB C 19.425 0.300 1 116 16 16 ALA N N 123.684 0.300 1 117 17 17 LYS H H 8.355 0.030 1 118 17 17 LYS HA H 4.280 0.030 1 119 17 17 LYS HB2 H 1.762 0.030 1 120 17 17 LYS HB3 H 1.762 0.030 1 121 17 17 LYS HD2 H 1.664 0.030 1 122 17 17 LYS HD3 H 1.664 0.030 1 123 17 17 LYS HE2 H 2.976 0.030 1 124 17 17 LYS HE3 H 2.976 0.030 1 125 17 17 LYS HG2 H 1.432 0.030 1 126 17 17 LYS HG3 H 1.432 0.030 1 127 17 17 LYS C C 176.702 0.300 1 128 17 17 LYS CA C 56.307 0.300 1 129 17 17 LYS CB C 32.961 0.300 1 130 17 17 LYS CD C 29.222 0.300 1 131 17 17 LYS CE C 42.298 0.300 1 132 17 17 LYS CG C 24.946 0.300 1 133 17 17 LYS N N 120.940 0.300 1 134 18 18 ARG H H 8.435 0.030 1 135 18 18 ARG C C 176.794 0.300 1 136 18 18 ARG CA C 56.375 0.300 1 137 18 18 ARG CB C 30.867 0.300 1 138 18 18 ARG N N 122.939 0.300 1 139 21 21 GLN HA H 4.272 0.030 1 140 21 21 GLN HB2 H 1.890 0.030 2 141 21 21 GLN HB3 H 1.968 0.030 2 142 21 21 GLN HE21 H 7.458 0.030 2 143 21 21 GLN HE22 H 6.853 0.030 2 144 21 21 GLN HG2 H 2.218 0.030 1 145 21 21 GLN HG3 H 2.218 0.030 1 146 21 21 GLN CA C 56.102 0.300 1 147 21 21 GLN CB C 29.360 0.300 1 148 21 21 GLN CG C 33.562 0.300 1 149 21 21 GLN NE2 N 112.587 0.300 1 150 22 22 HIS HA H 4.550 0.030 1 151 22 22 HIS HB2 H 2.936 0.030 2 152 22 22 HIS HB3 H 3.003 0.030 2 153 22 22 HIS HD2 H 6.895 0.030 1 154 22 22 HIS HE1 H 7.736 0.030 1 155 22 22 HIS CA C 56.535 0.300 1 156 22 22 HIS CB C 31.241 0.300 1 157 22 22 HIS CD2 C 119.882 0.300 1 158 22 22 HIS CE1 C 138.592 0.300 1 159 23 23 TYR HA H 4.533 0.030 1 160 23 23 TYR HB2 H 3.033 0.030 2 161 23 23 TYR HB3 H 2.916 0.030 2 162 23 23 TYR HD1 H 7.058 0.030 1 163 23 23 TYR HD2 H 7.058 0.030 1 164 23 23 TYR HE1 H 6.793 0.030 1 165 23 23 TYR HE2 H 6.793 0.030 1 166 23 23 TYR C C 174.749 0.300 1 167 23 23 TYR CA C 58.093 0.300 1 168 23 23 TYR CB C 38.837 0.300 1 169 23 23 TYR CD1 C 133.179 0.300 1 170 23 23 TYR CD2 C 133.179 0.300 1 171 23 23 TYR CE1 C 118.206 0.300 1 172 23 23 TYR CE2 C 118.206 0.300 1 173 24 24 SER HA H 4.404 0.030 1 174 24 24 SER HB2 H 3.873 0.030 1 175 24 24 SER HB3 H 3.873 0.030 1 176 24 24 SER C C 173.979 0.300 1 177 24 24 SER CA C 58.343 0.300 1 178 24 24 SER CB C 63.914 0.300 1 179 25 25 ASP H H 8.267 0.030 1 180 25 25 ASP HA H 4.585 0.030 1 181 25 25 ASP HB2 H 2.697 0.030 1 182 25 25 ASP HB3 H 2.697 0.030 1 183 25 25 ASP C C 176.050 0.300 1 184 25 25 ASP CA C 54.394 0.300 1 185 25 25 ASP CB C 40.942 0.300 1 186 25 25 ASP N N 122.231 0.300 1 187 26 26 ARG H H 8.231 0.030 1 188 26 26 ARG HA H 4.481 0.030 1 189 26 26 ARG HB2 H 1.758 0.030 2 190 26 26 ARG HB3 H 1.832 0.030 2 191 26 26 ARG HD2 H 3.166 0.030 1 192 26 26 ARG HD3 H 3.166 0.030 1 193 26 26 ARG HG2 H 1.618 0.030 2 194 26 26 ARG HG3 H 1.682 0.030 2 195 26 26 ARG C C 175.647 0.300 1 196 26 26 ARG CA C 55.384 0.300 1 197 26 26 ARG CB C 31.185 0.300 1 198 26 26 ARG CD C 43.285 0.300 1 199 26 26 ARG CG C 27.249 0.300 1 200 26 26 ARG N N 119.722 0.300 1 201 27 27 THR H H 7.970 0.030 1 202 27 27 THR HA H 4.717 0.030 1 203 27 27 THR HB H 3.737 0.030 1 204 27 27 THR HG2 H 0.990 0.030 1 205 27 27 THR C C 172.792 0.300 1 206 27 27 THR CA C 59.623 0.300 1 207 27 27 THR CB C 72.177 0.300 1 208 27 27 THR CG2 C 21.956 0.300 1 209 27 27 THR N N 113.263 0.300 1 210 28 28 CYS H H 8.815 0.030 1 211 28 28 CYS HA H 4.085 0.030 1 212 28 28 CYS HB2 H 3.386 0.030 2 213 28 28 CYS HB3 H 2.693 0.030 2 214 28 28 CYS C C 177.312 0.300 1 215 28 28 CYS CA C 59.727 0.300 1 216 28 28 CYS CB C 31.217 0.300 1 217 28 28 CYS N N 123.563 0.300 1 218 29 29 ALA H H 9.062 0.030 1 219 29 29 ALA HA H 4.183 0.030 1 220 29 29 ALA HB H 1.342 0.030 1 221 29 29 ALA C C 177.939 0.300 1 222 29 29 ALA CA C 54.452 0.300 1 223 29 29 ALA CB C 20.057 0.300 1 224 29 29 ALA N N 132.008 0.300 1 225 30 30 ARG H H 9.355 0.030 1 226 30 30 ARG HA H 4.567 0.030 1 227 30 30 ARG HB2 H 2.607 0.030 2 228 30 30 ARG HB3 H 2.129 0.030 2 229 30 30 ARG HD2 H 3.081 0.030 2 230 30 30 ARG HD3 H 3.193 0.030 2 231 30 30 ARG HG2 H 1.759 0.030 2 232 30 30 ARG HG3 H 1.890 0.030 2 233 30 30 ARG C C 177.106 0.300 1 234 30 30 ARG CA C 55.507 0.300 1 235 30 30 ARG CB C 31.099 0.300 1 236 30 30 ARG CD C 43.038 0.300 1 237 30 30 ARG CG C 27.443 0.300 1 238 30 30 ARG N N 116.246 0.300 1 239 31 31 CYS H H 8.360 0.030 1 240 31 31 CYS HA H 4.940 0.030 1 241 31 31 CYS HB2 H 3.188 0.030 2 242 31 31 CYS HB3 H 2.546 0.030 2 243 31 31 CYS C C 175.744 0.300 1 244 31 31 CYS CA C 59.249 0.300 1 245 31 31 CYS CB C 32.467 0.300 1 246 31 31 CYS N N 119.827 0.300 1 247 32 32 GLN H H 7.831 0.030 1 248 32 32 GLN HA H 4.159 0.030 1 249 32 32 GLN HB2 H 2.366 0.030 1 250 32 32 GLN HB3 H 2.366 0.030 1 251 32 32 GLN HE21 H 7.271 0.030 2 252 32 32 GLN HE22 H 6.563 0.030 2 253 32 32 GLN HG2 H 2.248 0.030 1 254 32 32 GLN HG3 H 2.248 0.030 1 255 32 32 GLN C C 174.816 0.300 1 256 32 32 GLN CA C 58.321 0.300 1 257 32 32 GLN CB C 26.243 0.300 1 258 32 32 GLN CG C 34.568 0.300 1 259 32 32 GLN N N 115.395 0.300 1 260 32 32 GLN NE2 N 112.611 0.300 1 261 33 33 GLU H H 8.475 0.030 1 262 33 33 GLU HA H 4.340 0.030 1 263 33 33 GLU HB2 H 2.154 0.030 2 264 33 33 GLU HB3 H 1.970 0.030 2 265 33 33 GLU HG2 H 2.394 0.030 2 266 33 33 GLU HG3 H 2.468 0.030 2 267 33 33 GLU C C 176.677 0.300 1 268 33 33 GLU CA C 56.703 0.300 1 269 33 33 GLU CB C 30.573 0.300 1 270 33 33 GLU CG C 36.727 0.300 1 271 33 33 GLU N N 121.033 0.300 1 272 34 34 SER H H 8.693 0.030 1 273 34 34 SER HA H 4.368 0.030 1 274 34 34 SER HB2 H 3.948 0.030 2 275 34 34 SER HB3 H 3.834 0.030 2 276 34 34 SER C C 175.701 0.300 1 277 34 34 SER CA C 59.241 0.300 1 278 34 34 SER CB C 63.525 0.300 1 279 34 34 SER N N 115.804 0.300 1 280 35 35 LEU H H 8.471 0.030 1 281 35 35 LEU HA H 4.281 0.030 1 282 35 35 LEU HB2 H 1.545 0.030 2 283 35 35 LEU HB3 H 1.362 0.030 2 284 35 35 LEU HD1 H 0.626 0.030 1 285 35 35 LEU HD2 H 0.632 0.030 1 286 35 35 LEU HG H 1.463 0.030 1 287 35 35 LEU C C 177.870 0.300 1 288 35 35 LEU CA C 54.879 0.300 1 289 35 35 LEU CB C 42.672 0.300 1 290 35 35 LEU CD1 C 26.015 0.300 2 291 35 35 LEU CD2 C 23.466 0.300 2 292 35 35 LEU CG C 27.654 0.300 1 293 35 35 LEU N N 125.493 0.300 1 294 36 36 GLY H H 8.346 0.030 1 295 36 36 GLY HA2 H 3.771 0.030 2 296 36 36 GLY HA3 H 3.890 0.030 2 297 36 36 GLY C C 174.420 0.300 1 298 36 36 GLY CA C 46.071 0.300 1 299 36 36 GLY N N 108.151 0.300 1 300 37 37 ARG H H 8.567 0.030 1 301 37 37 ARG HA H 4.311 0.030 1 302 37 37 ARG HB2 H 1.654 0.030 2 303 37 37 ARG HB3 H 1.904 0.030 2 304 37 37 ARG HD2 H 3.137 0.030 1 305 37 37 ARG HD3 H 3.137 0.030 1 306 37 37 ARG HG2 H 1.532 0.030 1 307 37 37 ARG HG3 H 1.532 0.030 1 308 37 37 ARG C C 176.240 0.300 1 309 37 37 ARG CA C 55.752 0.300 1 310 37 37 ARG CB C 29.719 0.300 1 311 37 37 ARG CD C 43.449 0.300 1 312 37 37 ARG CG C 27.232 0.300 1 313 37 37 ARG N N 122.767 0.300 1 314 38 38 LEU H H 7.824 0.030 1 315 38 38 LEU HA H 4.235 0.030 1 316 38 38 LEU HB2 H 1.590 0.030 2 317 38 38 LEU HB3 H 1.407 0.030 2 318 38 38 LEU HD1 H 0.822 0.030 1 319 38 38 LEU HD2 H 0.795 0.030 1 320 38 38 LEU HG H 1.645 0.030 1 321 38 38 LEU C C 176.831 0.300 1 322 38 38 LEU CA C 54.989 0.300 1 323 38 38 LEU CB C 42.636 0.300 1 324 38 38 LEU CD1 C 25.132 0.300 2 325 38 38 LEU CD2 C 23.475 0.300 2 326 38 38 LEU CG C 26.810 0.300 1 327 38 38 LEU N N 122.466 0.300 1 328 39 39 SER H H 8.461 0.030 1 329 39 39 SER HA H 4.667 0.030 1 330 39 39 SER HB2 H 3.896 0.030 2 331 39 39 SER HB3 H 3.990 0.030 2 332 39 39 SER C C 177.371 0.300 1 333 39 39 SER CA C 55.885 0.300 1 334 39 39 SER CB C 63.736 0.300 1 335 39 39 SER N N 116.846 0.300 1 336 40 40 PRO HA H 4.165 0.030 1 337 40 40 PRO HB2 H 1.975 0.030 2 338 40 40 PRO HB3 H 2.300 0.030 2 339 40 40 PRO HD2 H 3.907 0.030 2 340 40 40 PRO HD3 H 3.937 0.030 2 341 40 40 PRO HG2 H 1.944 0.030 2 342 40 40 PRO HG3 H 2.119 0.030 2 343 40 40 PRO CA C 65.002 0.300 1 344 40 40 PRO CB C 32.296 0.300 1 345 40 40 PRO CD C 51.092 0.300 1 346 40 40 PRO CG C 27.654 0.300 1 347 41 41 LYS HA H 4.123 0.030 1 348 41 41 LYS HB2 H 1.891 0.030 1 349 41 41 LYS HB3 H 1.891 0.030 1 350 41 41 LYS HD2 H 1.708 0.030 1 351 41 41 LYS HD3 H 1.708 0.030 1 352 41 41 LYS HG2 H 1.499 0.030 2 353 41 41 LYS HG3 H 1.448 0.030 2 354 41 41 LYS CA C 59.094 0.300 1 355 41 41 LYS CB C 32.438 0.300 1 356 41 41 LYS CD C 29.146 0.300 1 357 41 41 LYS CE C 42.153 0.300 1 358 41 41 LYS CG C 25.122 0.300 1 359 42 42 THR HA H 4.595 0.030 1 360 42 42 THR HB H 4.536 0.030 1 361 42 42 THR HG2 H 1.241 0.030 1 362 42 42 THR C C 175.010 0.300 1 363 42 42 THR CA C 62.143 0.300 1 364 42 42 THR CB C 69.054 0.300 1 365 42 42 THR CG2 C 22.479 0.300 1 366 43 43 ASN H H 7.641 0.030 1 367 43 43 ASN HA H 5.351 0.030 1 368 43 43 ASN HB2 H 3.137 0.030 2 369 43 43 ASN HB3 H 2.397 0.030 2 370 43 43 ASN HD21 H 6.965 0.030 2 371 43 43 ASN HD22 H 8.277 0.030 2 372 43 43 ASN C C 172.478 0.300 1 373 43 43 ASN CA C 53.841 0.300 1 374 43 43 ASN CB C 40.146 0.300 1 375 43 43 ASN N N 118.851 0.300 1 376 43 43 ASN ND2 N 118.872 0.300 1 377 44 44 THR H H 7.902 0.030 1 378 44 44 THR HA H 4.821 0.030 1 379 44 44 THR HB H 3.887 0.030 1 380 44 44 THR HG2 H 0.907 0.030 1 381 44 44 THR C C 173.932 0.300 1 382 44 44 THR CA C 62.345 0.300 1 383 44 44 THR CB C 70.277 0.300 1 384 44 44 THR CG2 C 20.901 0.300 1 385 44 44 THR N N 115.355 0.300 1 386 45 45 CYS H H 9.207 0.030 1 387 45 45 CYS HA H 3.735 0.030 1 388 45 45 CYS HB2 H 2.968 0.030 2 389 45 45 CYS HB3 H 3.717 0.030 2 390 45 45 CYS C C 176.801 0.300 1 391 45 45 CYS CA C 59.523 0.300 1 392 45 45 CYS CB C 30.948 0.300 1 393 45 45 CYS N N 130.754 0.300 1 394 46 46 ARG H H 8.643 0.030 1 395 46 46 ARG HA H 4.133 0.030 1 396 46 46 ARG HB2 H 1.698 0.030 2 397 46 46 ARG HB3 H 1.748 0.030 2 398 46 46 ARG HD2 H 3.095 0.030 1 399 46 46 ARG HD3 H 3.095 0.030 1 400 46 46 ARG HG2 H 1.413 0.030 2 401 46 46 ARG HG3 H 1.596 0.030 2 402 46 46 ARG C C 176.966 0.300 1 403 46 46 ARG CA C 57.137 0.300 1 404 46 46 ARG CB C 29.237 0.300 1 405 46 46 ARG CD C 42.956 0.300 1 406 46 46 ARG CG C 26.591 0.300 1 407 46 46 ARG N N 129.993 0.300 1 408 47 47 GLY H H 9.416 0.030 1 409 47 47 GLY HA2 H 4.246 0.030 2 410 47 47 GLY HA3 H 4.002 0.030 2 411 47 47 GLY C C 174.829 0.300 1 412 47 47 GLY CA C 46.648 0.300 1 413 47 47 GLY N N 113.071 0.300 1 414 48 48 CYS H H 7.248 0.030 1 415 48 48 CYS HA H 4.727 0.030 1 416 48 48 CYS HB2 H 2.976 0.030 2 417 48 48 CYS HB3 H 2.508 0.030 2 418 48 48 CYS C C 175.658 0.300 1 419 48 48 CYS CA C 57.124 0.300 1 420 48 48 CYS CB C 32.425 0.300 1 421 48 48 CYS N N 117.057 0.300 1 422 49 49 ASN H H 8.562 0.030 1 423 49 49 ASN HA H 4.293 0.030 1 424 49 49 ASN HB2 H 2.988 0.030 2 425 49 49 ASN HB3 H 2.685 0.030 2 426 49 49 ASN HD21 H 6.698 0.030 2 427 49 49 ASN HD22 H 7.385 0.030 2 428 49 49 ASN C C 174.016 0.300 1 429 49 49 ASN CA C 55.145 0.300 1 430 49 49 ASN CB C 37.813 0.300 1 431 49 49 ASN N N 119.373 0.300 1 432 49 49 ASN ND2 N 112.390 0.300 1 433 50 50 HIS H H 7.963 0.030 1 434 50 50 HIS HA H 4.935 0.030 1 435 50 50 HIS HB2 H 3.462 0.030 2 436 50 50 HIS HB3 H 2.960 0.030 2 437 50 50 HIS HD2 H 7.002 0.030 1 438 50 50 HIS HE1 H 7.834 0.030 1 439 50 50 HIS C C 175.187 0.300 1 440 50 50 HIS CA C 55.943 0.300 1 441 50 50 HIS CB C 31.836 0.300 1 442 50 50 HIS CD2 C 121.052 0.300 1 443 50 50 HIS CE1 C 138.364 0.300 1 444 50 50 HIS N N 117.053 0.300 1 445 51 51 LEU H H 8.842 0.030 1 446 51 51 LEU HA H 4.831 0.030 1 447 51 51 LEU HB2 H 1.454 0.030 2 448 51 51 LEU HB3 H 1.805 0.030 2 449 51 51 LEU HD1 H 0.768 0.030 1 450 51 51 LEU HD2 H 0.875 0.030 1 451 51 51 LEU HG H 1.671 0.030 1 452 51 51 LEU C C 176.646 0.300 1 453 51 51 LEU CA C 55.088 0.300 1 454 51 51 LEU CB C 42.636 0.300 1 455 51 51 LEU CD1 C 25.132 0.300 2 456 51 51 LEU CD2 C 25.765 0.300 2 457 51 51 LEU CG C 27.084 0.300 1 458 51 51 LEU N N 123.407 0.300 1 459 52 52 VAL H H 8.450 0.030 1 460 52 52 VAL HA H 5.710 0.030 1 461 52 52 VAL HB H 2.180 0.030 1 462 52 52 VAL HG1 H 1.144 0.030 1 463 52 52 VAL HG2 H 1.085 0.030 1 464 52 52 VAL C C 175.100 0.300 1 465 52 52 VAL CA C 59.263 0.300 1 466 52 52 VAL CB C 36.772 0.300 1 467 52 52 VAL CG1 C 23.233 0.300 2 468 52 52 VAL CG2 C 21.546 0.300 2 469 52 52 VAL N N 118.917 0.300 1 470 53 53 CYS H H 9.625 0.030 1 471 53 53 CYS HA H 4.471 0.030 1 472 53 53 CYS HB2 H 3.404 0.030 2 473 53 53 CYS HB3 H 2.650 0.030 2 474 53 53 CYS C C 176.382 0.300 1 475 53 53 CYS CA C 57.956 0.300 1 476 53 53 CYS CB C 31.255 0.300 1 477 53 53 CYS N N 126.227 0.300 1 478 54 54 ARG H H 8.486 0.030 1 479 54 54 ARG HA H 3.386 0.030 1 480 54 54 ARG HB2 H 1.702 0.030 1 481 54 54 ARG HB3 H 1.702 0.030 1 482 54 54 ARG HD2 H 3.094 0.030 1 483 54 54 ARG HD3 H 3.094 0.030 1 484 54 54 ARG HG2 H 1.413 0.030 2 485 54 54 ARG HG3 H 1.572 0.030 2 486 54 54 ARG C C 177.421 0.300 1 487 54 54 ARG CA C 59.305 0.300 1 488 54 54 ARG CB C 30.043 0.300 1 489 54 54 ARG CD C 43.285 0.300 1 490 54 54 ARG CG C 27.443 0.300 1 491 54 54 ARG N N 116.579 0.300 1 492 55 55 ASP H H 8.465 0.030 1 493 55 55 ASP HA H 4.633 0.030 1 494 55 55 ASP HB2 H 2.716 0.030 2 495 55 55 ASP HB3 H 2.763 0.030 2 496 55 55 ASP C C 177.471 0.300 1 497 55 55 ASP CA C 56.570 0.300 1 498 55 55 ASP CB C 41.813 0.300 1 499 55 55 ASP N N 120.768 0.300 1 500 56 56 CYS H H 7.489 0.030 1 501 56 56 CYS HA H 4.186 0.030 1 502 56 56 CYS HB2 H 3.256 0.030 2 503 56 56 CYS HB3 H 2.716 0.030 2 504 56 56 CYS C C 173.901 0.300 1 505 56 56 CYS CA C 61.554 0.300 1 506 56 56 CYS CB C 29.554 0.300 1 507 56 56 CYS N N 121.352 0.300 1 508 57 57 ARG H H 7.006 0.030 1 509 57 57 ARG HA H 4.717 0.030 1 510 57 57 ARG HB2 H 1.507 0.030 2 511 57 57 ARG HB3 H 1.248 0.030 2 512 57 57 ARG HD2 H 2.135 0.030 2 513 57 57 ARG HD3 H 1.048 0.030 2 514 57 57 ARG HG2 H 1.527 0.030 2 515 57 57 ARG HG3 H 0.791 0.030 2 516 57 57 ARG C C 174.544 0.300 1 517 57 57 ARG CA C 55.281 0.300 1 518 57 57 ARG CB C 33.620 0.300 1 519 57 57 ARG CD C 42.791 0.300 1 520 57 57 ARG CG C 25.275 0.300 1 521 57 57 ARG N N 116.536 0.300 1 522 58 58 ILE H H 9.161 0.030 1 523 58 58 ILE HA H 4.360 0.030 1 524 58 58 ILE HB H 1.969 0.030 1 525 58 58 ILE HD1 H 0.834 0.030 1 526 58 58 ILE HG12 H 1.215 0.030 2 527 58 58 ILE HG13 H 1.413 0.030 2 528 58 58 ILE HG2 H 0.873 0.030 1 529 58 58 ILE C C 175.714 0.300 1 530 58 58 ILE CA C 59.442 0.300 1 531 58 58 ILE CB C 38.463 0.300 1 532 58 58 ILE CD1 C 11.385 0.300 1 533 58 58 ILE CG1 C 26.810 0.300 1 534 58 58 ILE CG2 C 17.104 0.300 1 535 58 58 ILE N N 122.404 0.300 1 536 59 59 GLN H H 8.759 0.030 1 537 59 59 GLN HA H 4.537 0.030 1 538 59 59 GLN HB2 H 2.187 0.030 2 539 59 59 GLN HB3 H 1.970 0.030 2 540 59 59 GLN HE21 H 7.529 0.030 2 541 59 59 GLN HE22 H 6.659 0.030 2 542 59 59 GLN HG2 H 2.432 0.030 1 543 59 59 GLN HG3 H 2.432 0.030 1 544 59 59 GLN C C 176.034 0.300 1 545 59 59 GLN CA C 55.929 0.300 1 546 59 59 GLN CB C 29.332 0.300 1 547 59 59 GLN CG C 33.581 0.300 1 548 59 59 GLN N N 126.796 0.300 1 549 59 59 GLN NE2 N 111.681 0.300 1 550 60 60 GLU H H 8.869 0.030 1 551 60 60 GLU HA H 4.649 0.030 1 552 60 60 GLU HB2 H 1.942 0.030 2 553 60 60 GLU HB3 H 2.163 0.030 2 554 60 60 GLU HG2 H 2.153 0.030 2 555 60 60 GLU HG3 H 2.324 0.030 2 556 60 60 GLU C C 177.759 0.300 1 557 60 60 GLU CA C 55.344 0.300 1 558 60 60 GLU CB C 31.030 0.300 1 559 60 60 GLU CG C 36.716 0.300 1 560 60 60 GLU N N 124.744 0.300 1 561 62 62 ASN HA H 4.623 0.030 1 562 62 62 ASN HB2 H 3.093 0.030 2 563 62 62 ASN HB3 H 2.918 0.030 2 564 62 62 ASN HD21 H 6.967 0.030 2 565 62 62 ASN HD22 H 7.668 0.030 2 566 62 62 ASN C C 176.049 0.300 1 567 62 62 ASN CA C 53.224 0.300 1 568 62 62 ASN CB C 37.496 0.300 1 569 62 62 ASN ND2 N 112.587 0.300 1 570 63 63 GLY H H 8.311 0.030 1 571 63 63 GLY HA2 H 4.310 0.030 2 572 63 63 GLY HA3 H 3.877 0.030 2 573 63 63 GLY C C 175.147 0.300 1 574 63 63 GLY CA C 46.012 0.300 1 575 63 63 GLY N N 106.633 0.300 1 576 64 64 THR H H 7.543 0.030 1 577 64 64 THR HA H 4.651 0.030 1 578 64 64 THR HB H 4.236 0.030 1 579 64 64 THR HG2 H 1.124 0.030 1 580 64 64 THR C C 172.236 0.300 1 581 64 64 THR CA C 61.237 0.300 1 582 64 64 THR CB C 71.017 0.300 1 583 64 64 THR CG2 C 21.323 0.300 1 584 64 64 THR N N 112.240 0.300 1 585 65 65 TRP H H 8.082 0.030 1 586 65 65 TRP HA H 5.416 0.030 1 587 65 65 TRP HB2 H 3.224 0.030 2 588 65 65 TRP HB3 H 3.080 0.030 2 589 65 65 TRP HD1 H 7.326 0.030 1 590 65 65 TRP HE1 H 10.418 0.030 1 591 65 65 TRP HE3 H 6.988 0.030 1 592 65 65 TRP HH2 H 6.750 0.030 1 593 65 65 TRP HZ2 H 7.300 0.030 1 594 65 65 TRP HZ3 H 6.612 0.030 1 595 65 65 TRP C C 175.004 0.300 1 596 65 65 TRP CA C 55.458 0.300 1 597 65 65 TRP CB C 32.508 0.300 1 598 65 65 TRP CD1 C 128.997 0.300 1 599 65 65 TRP CE3 C 119.881 0.300 1 600 65 65 TRP CH2 C 123.086 0.300 1 601 65 65 TRP CZ2 C 115.036 0.300 1 602 65 65 TRP CZ3 C 119.998 0.300 1 603 65 65 TRP N N 115.714 0.300 1 604 65 65 TRP NE1 N 131.098 0.300 1 605 66 66 ARG H H 8.522 0.030 1 606 66 66 ARG HA H 4.897 0.030 1 607 66 66 ARG HB2 H 1.772 0.030 2 608 66 66 ARG HB3 H 1.858 0.030 2 609 66 66 ARG HD2 H 2.822 0.030 2 610 66 66 ARG HD3 H 3.146 0.030 2 611 66 66 ARG HG2 H 1.605 0.030 2 612 66 66 ARG HG3 H 1.714 0.030 2 613 66 66 ARG C C 175.539 0.300 1 614 66 66 ARG CA C 54.968 0.300 1 615 66 66 ARG CB C 36.516 0.300 1 616 66 66 ARG CD C 43.902 0.300 1 617 66 66 ARG CG C 28.235 0.300 1 618 66 66 ARG N N 117.953 0.300 1 619 67 67 CYS H H 10.385 0.030 1 620 67 67 CYS HA H 5.468 0.030 1 621 67 67 CYS HB2 H 3.621 0.030 2 622 67 67 CYS HB3 H 3.273 0.030 2 623 67 67 CYS C C 175.544 0.300 1 624 67 67 CYS CA C 58.536 0.300 1 625 67 67 CYS CB C 32.797 0.300 1 626 67 67 CYS N N 123.285 0.300 1 627 68 68 LYS H H 8.175 0.030 1 628 68 68 LYS HA H 4.003 0.030 1 629 68 68 LYS HB2 H 1.808 0.030 2 630 68 68 LYS HB3 H 1.868 0.030 2 631 68 68 LYS HD2 H 1.661 0.030 2 632 68 68 LYS HD3 H 1.718 0.030 2 633 68 68 LYS HE2 H 2.981 0.030 1 634 68 68 LYS HE3 H 2.981 0.030 1 635 68 68 LYS HG2 H 1.363 0.030 2 636 68 68 LYS HG3 H 1.282 0.030 2 637 68 68 LYS C C 177.612 0.300 1 638 68 68 LYS CA C 59.305 0.300 1 639 68 68 LYS CB C 32.890 0.300 1 640 68 68 LYS CD C 30.209 0.300 1 641 68 68 LYS CE C 42.133 0.300 1 642 68 68 LYS CG C 25.966 0.300 1 643 68 68 LYS N N 115.837 0.300 1 644 69 69 VAL H H 7.930 0.030 1 645 69 69 VAL HA H 3.877 0.030 1 646 69 69 VAL HB H 2.140 0.030 1 647 69 69 VAL HG1 H 0.912 0.030 1 648 69 69 VAL HG2 H 1.003 0.030 1 649 69 69 VAL C C 178.078 0.300 1 650 69 69 VAL CA C 65.755 0.300 1 651 69 69 VAL CB C 32.718 0.300 1 652 69 69 VAL CG1 C 21.081 0.300 2 653 69 69 VAL CG2 C 23.223 0.300 2 654 69 69 VAL N N 121.426 0.300 1 655 70 70 CYS H H 8.335 0.030 1 656 70 70 CYS HA H 3.894 0.030 1 657 70 70 CYS HB2 H 2.952 0.030 1 658 70 70 CYS HB3 H 2.952 0.030 1 659 70 70 CYS C C 176.632 0.300 1 660 70 70 CYS CA C 64.163 0.300 1 661 70 70 CYS CB C 29.742 0.300 1 662 70 70 CYS N N 124.293 0.300 1 663 71 71 SER H H 8.002 0.030 1 664 71 71 SER HA H 4.214 0.030 1 665 71 71 SER HB2 H 3.764 0.030 1 666 71 71 SER HB3 H 3.764 0.030 1 667 71 71 SER C C 174.618 0.300 1 668 71 71 SER CA C 59.323 0.300 1 669 71 71 SER CB C 63.947 0.300 1 670 71 71 SER N N 112.117 0.300 1 671 72 72 GLY H H 7.550 0.030 1 672 72 72 GLY HA2 H 4.147 0.030 2 673 72 72 GLY HA3 H 4.079 0.030 2 674 72 72 GLY C C 171.753 0.300 1 675 72 72 GLY CA C 44.957 0.300 1 676 72 72 GLY N N 108.889 0.300 1 677 73 73 PRO HA H 4.483 0.030 1 678 73 73 PRO HB2 H 2.281 0.030 2 679 73 73 PRO HB3 H 1.970 0.030 2 680 73 73 PRO HD2 H 3.629 0.030 1 681 73 73 PRO HD3 H 3.629 0.030 1 682 73 73 PRO HG2 H 2.013 0.030 1 683 73 73 PRO HG3 H 2.013 0.030 1 684 73 73 PRO C C 177.534 0.300 1 685 73 73 PRO CA C 63.314 0.300 1 686 73 73 PRO CB C 32.083 0.300 1 687 73 73 PRO CD C 49.781 0.300 1 688 73 73 PRO CG C 27.166 0.300 1 689 74 74 SER H H 8.527 0.030 1 690 74 74 SER C C 174.755 0.300 1 691 74 74 SER CA C 58.312 0.300 1 692 74 74 SER CB C 63.880 0.300 1 693 74 74 SER N N 116.545 0.300 1 stop_ save_