data_11344 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING domain of the human RING finger protein 141 ; _BMRB_accession_number 11344 _BMRB_flat_file_name bmr11344.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 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa 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" 351 "13C chemical shifts" 255 "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 human RING finger protein 141' _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 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa 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 'RING finger protein 141' _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 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGRVKQLTDEEECCI CMDGRADLILPCAHSFCQKC IDKWSDRHRNCPICRLQMTG ANESSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 VAL 10 LYS 11 GLN 12 LEU 13 THR 14 ASP 15 GLU 16 GLU 17 GLU 18 CYS 19 CYS 20 ILE 21 CYS 22 MET 23 ASP 24 GLY 25 ARG 26 ALA 27 ASP 28 LEU 29 ILE 30 LEU 31 PRO 32 CYS 33 ALA 34 HIS 35 SER 36 PHE 37 CYS 38 GLN 39 LYS 40 CYS 41 ILE 42 ASP 43 LYS 44 TRP 45 SER 46 ASP 47 ARG 48 HIS 49 ARG 50 ASN 51 CYS 52 PRO 53 ILE 54 CYS 55 ARG 56 LEU 57 GLN 58 MET 59 THR 60 GLY 61 ALA 62 ASN 63 GLU 64 SER 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 2ECN "Solution Structure Of The Ring Domain Of The Human Ring Finger Protein 141" 100.00 70 100.00 100.00 2.11e-42 DBJ BAB24742 "unnamed protein product [Mus musculus]" 82.86 230 98.28 100.00 2.22e-34 DBJ BAB27871 "unnamed protein product [Mus musculus]" 82.86 230 100.00 100.00 4.19e-35 DBJ BAB29874 "unnamed protein product [Mus musculus]" 82.86 230 100.00 100.00 3.89e-35 DBJ BAE32570 "unnamed protein product [Mus musculus]" 82.86 279 100.00 100.00 6.88e-35 DBJ BAF82453 "unnamed protein product [Homo sapiens]" 82.86 230 100.00 100.00 3.39e-35 EMBL CAH92252 "hypothetical protein [Pongo abelii]" 82.86 230 100.00 100.00 3.39e-35 GB AAF30180 "C3HC4-like zinc finger protein [Homo sapiens]" 82.86 230 100.00 100.00 3.21e-35 GB AAH18104 "Ring finger protein 141 [Homo sapiens]" 82.86 230 100.00 100.00 3.39e-35 GB AAH18553 "Ring finger protein 141 [Mus musculus]" 82.86 230 100.00 100.00 3.89e-35 GB AAH88675 "LOC496213 protein [Xenopus laevis]" 54.29 188 97.37 100.00 6.42e-19 GB AAI09814 "Ring finger protein 141 [Bos taurus]" 82.86 230 100.00 100.00 3.01e-35 REF NP_001001800 "RING finger protein 141 [Rattus norvegicus]" 82.86 230 100.00 100.00 4.97e-35 REF NP_001035656 "RING finger protein 141 [Bos taurus]" 82.86 230 100.00 100.00 3.01e-35 REF NP_001041484 "RING finger protein 141 [Canis lupus familiaris]" 82.86 231 100.00 100.00 3.86e-35 REF NP_001088870 "ring finger protein 141 [Xenopus laevis]" 54.29 188 97.37 100.00 6.42e-19 REF NP_001126318 "RING finger protein 141 [Pongo abelii]" 82.86 230 100.00 100.00 3.39e-35 SP Q2XNS1 "RecName: Full=RING finger protein 141" 82.86 231 100.00 100.00 3.86e-35 SP Q32L15 "RecName: Full=RING finger protein 141" 82.86 230 100.00 100.00 3.01e-35 SP Q5R7K8 "RecName: Full=RING finger protein 141" 82.86 230 100.00 100.00 3.39e-35 SP Q6IV57 "RecName: Full=RING finger protein 141" 82.86 230 100.00 100.00 4.97e-35 SP Q8WVD5 "RecName: Full=RING finger protein 141; AltName: Full=Zinc finger protein 230" 82.86 230 100.00 100.00 3.39e-35 TPG DAA22251 "TPA: ring finger protein 141 [Bos taurus]" 82.86 230 100.00 100.00 3.01e-35 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 P060919-15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.31mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.31 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1.0 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 13C-separated NOESY' '3D 15N-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 3.953 0.030 1 2 7 7 GLY HA3 H 3.953 0.030 1 3 7 7 GLY C C 173.924 0.300 1 4 7 7 GLY CA C 45.336 0.300 1 5 8 8 ARG H H 8.097 0.030 1 6 8 8 ARG HA H 4.340 0.030 1 7 8 8 ARG HB2 H 1.807 0.030 2 8 8 8 ARG HB3 H 1.738 0.030 2 9 8 8 ARG HD2 H 3.175 0.030 1 10 8 8 ARG HD3 H 3.175 0.030 1 11 8 8 ARG HG2 H 1.621 0.030 1 12 8 8 ARG HG3 H 1.621 0.030 1 13 8 8 ARG C C 176.305 0.300 1 14 8 8 ARG CA C 56.091 0.300 1 15 8 8 ARG CB C 30.911 0.300 1 16 8 8 ARG CD C 43.357 0.300 1 17 8 8 ARG CG C 27.003 0.300 1 18 8 8 ARG N N 120.771 0.300 1 19 9 9 VAL H H 8.230 0.030 1 20 9 9 VAL HA H 4.056 0.030 1 21 9 9 VAL HB H 2.018 0.030 1 22 9 9 VAL HG1 H 0.921 0.030 1 23 9 9 VAL HG2 H 0.901 0.030 1 24 9 9 VAL C C 176.025 0.300 1 25 9 9 VAL CA C 62.405 0.300 1 26 9 9 VAL CB C 32.726 0.300 1 27 9 9 VAL CG1 C 20.667 0.300 2 28 9 9 VAL CG2 C 21.178 0.300 2 29 9 9 VAL N N 122.151 0.300 1 30 10 10 LYS H H 8.371 0.030 1 31 10 10 LYS HA H 4.272 0.030 1 32 10 10 LYS HB2 H 1.773 0.030 2 33 10 10 LYS HB3 H 1.716 0.030 2 34 10 10 LYS HD2 H 1.654 0.030 1 35 10 10 LYS HD3 H 1.654 0.030 1 36 10 10 LYS HE2 H 2.958 0.030 1 37 10 10 LYS HE3 H 2.958 0.030 1 38 10 10 LYS HG2 H 1.408 0.030 2 39 10 10 LYS HG3 H 1.375 0.030 2 40 10 10 LYS C C 176.120 0.300 1 41 10 10 LYS CA C 56.403 0.300 1 42 10 10 LYS CB C 33.145 0.300 1 43 10 10 LYS CD C 29.261 0.300 1 44 10 10 LYS CE C 42.125 0.300 1 45 10 10 LYS CG C 24.721 0.300 1 46 10 10 LYS N N 125.714 0.300 1 47 11 11 GLN H H 8.510 0.030 1 48 11 11 GLN HA H 4.337 0.030 1 49 11 11 GLN HB2 H 2.095 0.030 2 50 11 11 GLN HB3 H 1.941 0.030 2 51 11 11 GLN HE21 H 7.548 0.030 2 52 11 11 GLN HE22 H 6.868 0.030 2 53 11 11 GLN HG2 H 2.351 0.030 1 54 11 11 GLN HG3 H 2.351 0.030 1 55 11 11 GLN C C 176.067 0.300 1 56 11 11 GLN CA C 55.513 0.300 1 57 11 11 GLN CB C 29.738 0.300 1 58 11 11 GLN CG C 33.753 0.300 1 59 11 11 GLN N N 122.437 0.300 1 60 11 11 GLN NE2 N 112.744 0.300 1 61 12 12 LEU H H 8.448 0.030 1 62 12 12 LEU HA H 4.338 0.030 1 63 12 12 LEU HB2 H 1.591 0.030 2 64 12 12 LEU HB3 H 1.653 0.030 2 65 12 12 LEU HD1 H 0.890 0.030 1 66 12 12 LEU HD2 H 0.837 0.030 1 67 12 12 LEU HG H 1.612 0.030 1 68 12 12 LEU C C 177.521 0.300 1 69 12 12 LEU CA C 55.630 0.300 1 70 12 12 LEU CB C 42.221 0.300 1 71 12 12 LEU CD1 C 25.048 0.300 2 72 12 12 LEU CD2 C 23.573 0.300 2 73 12 12 LEU CG C 27.114 0.300 1 74 12 12 LEU N N 123.474 0.300 1 75 13 13 THR H H 8.041 0.030 1 76 13 13 THR HA H 4.357 0.030 1 77 13 13 THR HB H 4.303 0.030 1 78 13 13 THR HG2 H 1.155 0.030 1 79 13 13 THR C C 174.439 0.300 1 80 13 13 THR CA C 61.431 0.300 1 81 13 13 THR CB C 69.918 0.300 1 82 13 13 THR CG2 C 21.616 0.300 1 83 13 13 THR N N 112.583 0.300 1 84 14 14 ASP H H 8.257 0.030 1 85 14 14 ASP HA H 4.554 0.030 1 86 14 14 ASP HB2 H 2.704 0.030 2 87 14 14 ASP HB3 H 2.629 0.030 2 88 14 14 ASP C C 176.145 0.300 1 89 14 14 ASP CA C 54.896 0.300 1 90 14 14 ASP CB C 40.984 0.300 1 91 14 14 ASP N N 121.490 0.300 1 92 15 15 GLU H H 8.211 0.030 1 93 15 15 GLU HA H 4.254 0.030 1 94 15 15 GLU HB2 H 1.853 0.030 2 95 15 15 GLU HB3 H 2.032 0.030 2 96 15 15 GLU HG2 H 2.222 0.030 1 97 15 15 GLU HG3 H 2.222 0.030 1 98 15 15 GLU C C 176.039 0.300 1 99 15 15 GLU CA C 56.422 0.300 1 100 15 15 GLU CB C 30.497 0.300 1 101 15 15 GLU CG C 36.339 0.300 1 102 15 15 GLU N N 119.622 0.300 1 103 16 16 GLU H H 8.329 0.030 1 104 16 16 GLU HA H 4.256 0.030 1 105 16 16 GLU HB2 H 1.978 0.030 2 106 16 16 GLU HB3 H 1.842 0.030 2 107 16 16 GLU HG2 H 2.226 0.030 1 108 16 16 GLU HG3 H 2.226 0.030 1 109 16 16 GLU C C 175.696 0.300 1 110 16 16 GLU CA C 56.380 0.300 1 111 16 16 GLU CB C 30.685 0.300 1 112 16 16 GLU CG C 36.256 0.300 1 113 16 16 GLU N N 121.198 0.300 1 114 17 17 GLU H H 8.284 0.030 1 115 17 17 GLU HA H 4.515 0.030 1 116 17 17 GLU HB2 H 1.887 0.030 2 117 17 17 GLU HB3 H 1.835 0.030 2 118 17 17 GLU HG2 H 2.110 0.030 1 119 17 17 GLU HG3 H 2.110 0.030 1 120 17 17 GLU C C 175.298 0.300 1 121 17 17 GLU CA C 55.098 0.300 1 122 17 17 GLU CB C 32.373 0.300 1 123 17 17 GLU CG C 36.118 0.300 1 124 17 17 GLU N N 122.026 0.300 1 125 18 18 CYS H H 8.103 0.030 1 126 18 18 CYS HA H 3.856 0.030 1 127 18 18 CYS HB2 H 2.577 0.030 2 128 18 18 CYS HB3 H 3.243 0.030 2 129 18 18 CYS C C 176.910 0.300 1 130 18 18 CYS CA C 59.830 0.300 1 131 18 18 CYS CB C 31.188 0.300 1 132 18 18 CYS N N 123.468 0.300 1 133 19 19 CYS H H 8.624 0.030 1 134 19 19 CYS HA H 4.455 0.030 1 135 19 19 CYS HB2 H 3.127 0.030 2 136 19 19 CYS HB3 H 2.744 0.030 2 137 19 19 CYS C C 174.592 0.300 1 138 19 19 CYS CA C 60.881 0.300 1 139 19 19 CYS CB C 28.068 0.300 1 140 19 19 CYS N N 125.761 0.300 1 141 20 20 ILE H H 8.999 0.030 1 142 20 20 ILE HA H 4.203 0.030 1 143 20 20 ILE HB H 2.496 0.030 1 144 20 20 ILE HD1 H 0.807 0.030 1 145 20 20 ILE HG12 H 1.879 0.030 2 146 20 20 ILE HG13 H 1.174 0.030 2 147 20 20 ILE HG2 H 0.813 0.030 1 148 20 20 ILE C C 176.581 0.300 1 149 20 20 ILE CA C 63.753 0.300 1 150 20 20 ILE CB C 37.856 0.300 1 151 20 20 ILE CD1 C 13.225 0.300 1 152 20 20 ILE CG1 C 28.247 0.300 1 153 20 20 ILE CG2 C 17.626 0.300 1 154 20 20 ILE N N 123.463 0.300 1 155 21 21 CYS H H 8.180 0.030 1 156 21 21 CYS HA H 4.604 0.030 1 157 21 21 CYS HB2 H 3.204 0.030 2 158 21 21 CYS HB3 H 2.746 0.030 2 159 21 21 CYS C C 176.198 0.300 1 160 21 21 CYS CA C 59.602 0.300 1 161 21 21 CYS CB C 31.435 0.300 1 162 21 21 CYS N N 118.852 0.300 1 163 22 22 MET H H 7.660 0.030 1 164 22 22 MET HA H 4.260 0.030 1 165 22 22 MET HB2 H 2.165 0.030 2 166 22 22 MET HB3 H 2.205 0.030 2 167 22 22 MET HE H 2.001 0.030 1 168 22 22 MET HG2 H 2.423 0.030 2 169 22 22 MET HG3 H 2.386 0.030 2 170 22 22 MET C C 175.858 0.300 1 171 22 22 MET CA C 57.727 0.300 1 172 22 22 MET CB C 30.267 0.300 1 173 22 22 MET CE C 17.132 0.300 1 174 22 22 MET CG C 32.748 0.300 1 175 22 22 MET N N 117.591 0.300 1 176 23 23 ASP H H 8.553 0.030 1 177 23 23 ASP HA H 4.825 0.030 1 178 23 23 ASP HB2 H 2.665 0.030 2 179 23 23 ASP HB3 H 2.568 0.030 2 180 23 23 ASP C C 176.134 0.300 1 181 23 23 ASP CA C 54.197 0.300 1 182 23 23 ASP CB C 42.049 0.300 1 183 23 23 ASP N N 119.465 0.300 1 184 24 24 GLY H H 7.958 0.030 1 185 24 24 GLY HA2 H 3.821 0.030 2 186 24 24 GLY HA3 H 4.071 0.030 2 187 24 24 GLY C C 172.442 0.300 1 188 24 24 GLY CA C 45.092 0.300 1 189 24 24 GLY N N 109.132 0.300 1 190 25 25 ARG H H 8.339 0.030 1 191 25 25 ARG HA H 4.321 0.030 1 192 25 25 ARG HB2 H 1.746 0.030 1 193 25 25 ARG HB3 H 1.746 0.030 1 194 25 25 ARG HD2 H 3.172 0.030 1 195 25 25 ARG HD3 H 3.172 0.030 1 196 25 25 ARG HG2 H 1.627 0.030 1 197 25 25 ARG HG3 H 1.627 0.030 1 198 25 25 ARG C C 175.518 0.300 1 199 25 25 ARG CA C 55.426 0.300 1 200 25 25 ARG CB C 30.836 0.300 1 201 25 25 ARG CD C 43.200 0.300 1 202 25 25 ARG CG C 26.674 0.300 1 203 25 25 ARG N N 121.454 0.300 1 204 26 26 ALA H H 8.295 0.030 1 205 26 26 ALA HA H 3.734 0.030 1 206 26 26 ALA HB H 0.993 0.030 1 207 26 26 ALA C C 175.983 0.300 1 208 26 26 ALA CA C 51.881 0.300 1 209 26 26 ALA CB C 18.984 0.300 1 210 26 26 ALA N N 123.314 0.300 1 211 27 27 ASP H H 8.556 0.030 1 212 27 27 ASP HA H 4.768 0.030 1 213 27 27 ASP HB2 H 2.401 0.030 2 214 27 27 ASP HB3 H 2.804 0.030 2 215 27 27 ASP C C 175.208 0.300 1 216 27 27 ASP CA C 55.464 0.300 1 217 27 27 ASP CB C 43.825 0.300 1 218 27 27 ASP N N 122.006 0.300 1 219 28 28 LEU H H 8.311 0.030 1 220 28 28 LEU HA H 4.711 0.030 1 221 28 28 LEU HB2 H 1.536 0.030 2 222 28 28 LEU HB3 H 1.768 0.030 2 223 28 28 LEU HD1 H 0.959 0.030 1 224 28 28 LEU HD2 H 0.920 0.030 1 225 28 28 LEU HG H 1.582 0.030 1 226 28 28 LEU C C 174.101 0.300 1 227 28 28 LEU CA C 54.722 0.300 1 228 28 28 LEU CB C 45.059 0.300 1 229 28 28 LEU CD1 C 24.474 0.300 2 230 28 28 LEU CD2 C 26.148 0.300 2 231 28 28 LEU CG C 27.545 0.300 1 232 28 28 LEU N N 120.919 0.300 1 233 29 29 ILE H H 8.623 0.030 1 234 29 29 ILE HA H 4.598 0.030 1 235 29 29 ILE HB H 1.672 0.030 1 236 29 29 ILE HD1 H 0.756 0.030 1 237 29 29 ILE HG12 H 1.004 0.030 2 238 29 29 ILE HG13 H 1.360 0.030 2 239 29 29 ILE HG2 H 0.810 0.030 1 240 29 29 ILE C C 176.269 0.300 1 241 29 29 ILE CA C 60.728 0.300 1 242 29 29 ILE CB C 39.784 0.300 1 243 29 29 ILE CD1 C 13.836 0.300 1 244 29 29 ILE CG1 C 27.466 0.300 1 245 29 29 ILE CG2 C 16.988 0.300 1 246 29 29 ILE N N 125.047 0.300 1 247 30 30 LEU H H 8.438 0.030 1 248 30 30 LEU HA H 4.872 0.030 1 249 30 30 LEU HB2 H 2.024 0.030 2 250 30 30 LEU HB3 H 2.554 0.030 2 251 30 30 LEU HD1 H 1.172 0.030 1 252 30 30 LEU HD2 H 1.065 0.030 1 253 30 30 LEU HG H 2.001 0.030 1 254 30 30 LEU C C 177.800 0.300 1 255 30 30 LEU CA C 54.211 0.300 1 256 30 30 LEU CB C 42.311 0.300 1 257 30 30 LEU CD1 C 25.844 0.300 2 258 30 30 LEU CD2 C 22.703 0.300 2 259 30 30 LEU CG C 28.235 0.300 1 260 30 30 LEU N N 127.507 0.300 1 261 31 31 PRO HA H 4.366 0.030 1 262 31 31 PRO HB2 H 2.003 0.030 2 263 31 31 PRO HB3 H 2.460 0.030 2 264 31 31 PRO HD2 H 3.981 0.030 2 265 31 31 PRO HD3 H 3.946 0.030 2 266 31 31 PRO HG2 H 2.204 0.030 2 267 31 31 PRO HG3 H 2.090 0.030 2 268 31 31 PRO C C 176.121 0.300 1 269 31 31 PRO CA C 65.702 0.300 1 270 31 31 PRO CB C 31.724 0.300 1 271 31 31 PRO CD C 51.255 0.300 1 272 31 31 PRO CG C 27.981 0.300 1 273 32 32 CYS H H 7.445 0.030 1 274 32 32 CYS HA H 4.384 0.030 1 275 32 32 CYS HB2 H 2.961 0.030 2 276 32 32 CYS HB3 H 2.804 0.030 2 277 32 32 CYS C C 174.848 0.300 1 278 32 32 CYS CA C 57.725 0.300 1 279 32 32 CYS CB C 31.435 0.300 1 280 32 32 CYS N N 113.710 0.300 1 281 33 33 ALA H H 8.355 0.030 1 282 33 33 ALA HA H 3.778 0.030 1 283 33 33 ALA HB H 1.457 0.030 1 284 33 33 ALA C C 176.758 0.300 1 285 33 33 ALA CA C 54.514 0.300 1 286 33 33 ALA CB C 16.574 0.300 1 287 33 33 ALA N N 118.598 0.300 1 288 34 34 HIS H H 8.066 0.030 1 289 34 34 HIS HA H 4.557 0.030 1 290 34 34 HIS HB2 H 3.498 0.030 2 291 34 34 HIS HB3 H 2.953 0.030 2 292 34 34 HIS HD2 H 7.274 0.030 1 293 34 34 HIS HE1 H 7.914 0.030 1 294 34 34 HIS C C 173.330 0.300 1 295 34 34 HIS CA C 59.963 0.300 1 296 34 34 HIS CB C 31.432 0.300 1 297 34 34 HIS CD2 C 118.618 0.300 1 298 34 34 HIS CE1 C 138.211 0.300 1 299 34 34 HIS N N 120.875 0.300 1 300 35 35 SER H H 7.581 0.030 1 301 35 35 SER HA H 5.409 0.030 1 302 35 35 SER HB2 H 3.579 0.030 2 303 35 35 SER HB3 H 3.481 0.030 2 304 35 35 SER C C 172.919 0.300 1 305 35 35 SER CA C 56.420 0.300 1 306 35 35 SER CB C 65.632 0.300 1 307 35 35 SER N N 116.877 0.300 1 308 36 36 PHE H H 8.924 0.030 1 309 36 36 PHE HA H 6.180 0.030 1 310 36 36 PHE HB2 H 2.516 0.030 2 311 36 36 PHE HB3 H 3.400 0.030 2 312 36 36 PHE HD1 H 7.132 0.030 1 313 36 36 PHE HD2 H 7.132 0.030 1 314 36 36 PHE HE1 H 7.223 0.030 1 315 36 36 PHE HE2 H 7.223 0.030 1 316 36 36 PHE HZ H 7.516 0.030 1 317 36 36 PHE C C 176.046 0.300 1 318 36 36 PHE CA C 56.485 0.300 1 319 36 36 PHE CB C 45.982 0.300 1 320 36 36 PHE CD1 C 132.152 0.300 1 321 36 36 PHE CD2 C 132.152 0.300 1 322 36 36 PHE CE1 C 131.279 0.300 1 323 36 36 PHE CE2 C 131.279 0.300 1 324 36 36 PHE CZ C 130.396 0.300 1 325 36 36 PHE N N 118.427 0.300 1 326 37 37 CYS H H 10.096 0.030 1 327 37 37 CYS HA H 5.220 0.030 1 328 37 37 CYS HB2 H 2.970 0.030 2 329 37 37 CYS HB3 H 3.532 0.030 2 330 37 37 CYS C C 175.498 0.300 1 331 37 37 CYS CA C 57.795 0.300 1 332 37 37 CYS CB C 32.377 0.300 1 333 37 37 CYS N N 123.291 0.300 1 334 38 38 GLN H H 9.811 0.030 1 335 38 38 GLN HA H 3.774 0.030 1 336 38 38 GLN HB2 H 2.159 0.030 2 337 38 38 GLN HB3 H 1.970 0.030 2 338 38 38 GLN HE21 H 6.475 0.030 2 339 38 38 GLN HE22 H 7.890 0.030 2 340 38 38 GLN HG2 H 2.321 0.030 2 341 38 38 GLN HG3 H 2.372 0.030 2 342 38 38 GLN C C 177.200 0.300 1 343 38 38 GLN CA C 58.230 0.300 1 344 38 38 GLN CB C 29.073 0.300 1 345 38 38 GLN CG C 33.416 0.300 1 346 38 38 GLN N N 121.560 0.300 1 347 38 38 GLN NE2 N 114.840 0.300 1 348 39 39 LYS H H 7.987 0.030 1 349 39 39 LYS HA H 4.087 0.030 1 350 39 39 LYS HB2 H 2.077 0.030 2 351 39 39 LYS HB3 H 2.013 0.030 2 352 39 39 LYS HD2 H 1.741 0.030 1 353 39 39 LYS HD3 H 1.741 0.030 1 354 39 39 LYS HE2 H 3.042 0.030 1 355 39 39 LYS HE3 H 3.042 0.030 1 356 39 39 LYS HG2 H 1.611 0.030 2 357 39 39 LYS HG3 H 1.454 0.030 2 358 39 39 LYS C C 180.211 0.300 1 359 39 39 LYS CA C 59.869 0.300 1 360 39 39 LYS CB C 32.238 0.300 1 361 39 39 LYS CD C 29.305 0.300 1 362 39 39 LYS CE C 42.126 0.300 1 363 39 39 LYS CG C 25.223 0.300 1 364 39 39 LYS N N 118.210 0.300 1 365 40 40 CYS H H 8.928 0.030 1 366 40 40 CYS HA H 4.106 0.030 1 367 40 40 CYS HB2 H 3.058 0.030 2 368 40 40 CYS HB3 H 3.272 0.030 2 369 40 40 CYS C C 178.711 0.300 1 370 40 40 CYS CA C 66.054 0.300 1 371 40 40 CYS CB C 29.637 0.300 1 372 40 40 CYS N N 122.605 0.300 1 373 41 41 ILE H H 8.144 0.030 1 374 41 41 ILE HA H 3.243 0.030 1 375 41 41 ILE HB H 1.649 0.030 1 376 41 41 ILE HD1 H 0.327 0.030 1 377 41 41 ILE HG12 H 1.230 0.030 2 378 41 41 ILE HG13 H 0.889 0.030 2 379 41 41 ILE HG2 H 0.768 0.030 1 380 41 41 ILE C C 178.131 0.300 1 381 41 41 ILE CA C 62.259 0.300 1 382 41 41 ILE CB C 37.232 0.300 1 383 41 41 ILE CD1 C 12.716 0.300 1 384 41 41 ILE CG1 C 28.321 0.300 1 385 41 41 ILE CG2 C 18.061 0.300 1 386 41 41 ILE N N 120.573 0.300 1 387 42 42 ASP H H 8.205 0.030 1 388 42 42 ASP HA H 4.297 0.030 1 389 42 42 ASP HB2 H 2.551 0.030 2 390 42 42 ASP HB3 H 2.746 0.030 2 391 42 42 ASP C C 177.764 0.300 1 392 42 42 ASP CA C 56.770 0.300 1 393 42 42 ASP CB C 40.201 0.300 1 394 42 42 ASP N N 121.500 0.300 1 395 43 43 LYS H H 7.391 0.030 1 396 43 43 LYS HA H 4.010 0.030 1 397 43 43 LYS HB2 H 1.453 0.030 2 398 43 43 LYS HB3 H 1.616 0.030 2 399 43 43 LYS HD2 H 1.444 0.030 1 400 43 43 LYS HD3 H 1.444 0.030 1 401 43 43 LYS HE2 H 2.656 0.030 2 402 43 43 LYS HE3 H 2.722 0.030 2 403 43 43 LYS HG2 H 0.659 0.030 2 404 43 43 LYS HG3 H 1.012 0.030 2 405 43 43 LYS C C 177.958 0.300 1 406 43 43 LYS CA C 57.771 0.300 1 407 43 43 LYS CB C 33.263 0.300 1 408 43 43 LYS CD C 29.269 0.300 1 409 43 43 LYS CE C 42.202 0.300 1 410 43 43 LYS CG C 24.700 0.300 1 411 43 43 LYS N N 117.579 0.300 1 412 44 44 TRP H H 8.015 0.030 1 413 44 44 TRP HA H 4.844 0.030 1 414 44 44 TRP HB2 H 3.018 0.030 2 415 44 44 TRP HB3 H 3.335 0.030 2 416 44 44 TRP HD1 H 7.224 0.030 1 417 44 44 TRP HE1 H 9.978 0.030 1 418 44 44 TRP HE3 H 7.646 0.030 1 419 44 44 TRP HH2 H 6.867 0.030 1 420 44 44 TRP HZ2 H 7.061 0.030 1 421 44 44 TRP HZ3 H 7.005 0.030 1 422 44 44 TRP C C 176.643 0.300 1 423 44 44 TRP CA C 56.892 0.300 1 424 44 44 TRP CB C 30.478 0.300 1 425 44 44 TRP CD1 C 127.043 0.300 1 426 44 44 TRP CE3 C 121.074 0.300 1 427 44 44 TRP CH2 C 124.572 0.300 1 428 44 44 TRP CZ2 C 114.077 0.300 1 429 44 44 TRP CZ3 C 121.960 0.300 1 430 44 44 TRP N N 116.912 0.300 1 431 44 44 TRP NE1 N 127.696 0.300 1 432 45 45 SER H H 7.987 0.030 1 433 45 45 SER HA H 4.547 0.030 1 434 45 45 SER HB2 H 3.720 0.030 2 435 45 45 SER HB3 H 3.991 0.030 2 436 45 45 SER C C 173.922 0.300 1 437 45 45 SER CA C 57.279 0.300 1 438 45 45 SER CB C 64.190 0.300 1 439 45 45 SER N N 115.167 0.300 1 440 46 46 ASP H H 8.623 0.030 1 441 46 46 ASP HA H 4.713 0.030 1 442 46 46 ASP HB2 H 2.742 0.030 2 443 46 46 ASP HB3 H 2.932 0.030 2 444 46 46 ASP C C 177.818 0.300 1 445 46 46 ASP CA C 53.208 0.300 1 446 46 46 ASP CB C 42.330 0.300 1 447 46 46 ASP N N 121.271 0.300 1 448 47 47 ARG HA H 4.096 0.030 1 449 47 47 ARG HB2 H 1.678 0.030 2 450 47 47 ARG HB3 H 1.641 0.030 2 451 47 47 ARG HD2 H 3.041 0.030 1 452 47 47 ARG HD3 H 3.041 0.030 1 453 47 47 ARG HG2 H 1.362 0.030 2 454 47 47 ARG HG3 H 1.106 0.030 2 455 47 47 ARG C C 176.363 0.300 1 456 47 47 ARG CA C 57.577 0.300 1 457 47 47 ARG CB C 29.560 0.300 1 458 47 47 ARG CD C 43.195 0.300 1 459 47 47 ARG CG C 26.427 0.300 1 460 48 48 HIS H H 7.809 0.030 1 461 48 48 HIS HA H 4.526 0.030 1 462 48 48 HIS HB2 H 2.949 0.030 2 463 48 48 HIS HB3 H 3.159 0.030 2 464 48 48 HIS HD2 H 6.920 0.030 1 465 48 48 HIS HE1 H 7.767 0.030 1 466 48 48 HIS C C 174.856 0.300 1 467 48 48 HIS CA C 55.840 0.300 1 468 48 48 HIS CB C 30.122 0.300 1 469 48 48 HIS CD2 C 120.130 0.300 1 470 48 48 HIS CE1 C 138.331 0.300 1 471 48 48 HIS N N 117.894 0.300 1 472 49 49 ARG H H 8.179 0.030 1 473 49 49 ARG HA H 4.052 0.030 1 474 49 49 ARG HB2 H 1.884 0.030 2 475 49 49 ARG HB3 H 1.919 0.030 2 476 49 49 ARG HD2 H 3.044 0.030 1 477 49 49 ARG HD3 H 3.044 0.030 1 478 49 49 ARG HG2 H 1.536 0.030 1 479 49 49 ARG HG3 H 1.536 0.030 1 480 49 49 ARG C C 175.431 0.300 1 481 49 49 ARG CA C 56.423 0.300 1 482 49 49 ARG CB C 28.059 0.300 1 483 49 49 ARG CD C 43.581 0.300 1 484 49 49 ARG CG C 27.587 0.300 1 485 49 49 ARG N N 117.418 0.300 1 486 50 50 ASN H H 8.117 0.030 1 487 50 50 ASN HA H 4.576 0.030 1 488 50 50 ASN HB2 H 2.439 0.030 2 489 50 50 ASN HB3 H 2.666 0.030 2 490 50 50 ASN HD21 H 7.060 0.030 2 491 50 50 ASN HD22 H 8.676 0.030 2 492 50 50 ASN C C 175.511 0.300 1 493 50 50 ASN CA C 53.377 0.300 1 494 50 50 ASN CB C 39.260 0.300 1 495 50 50 ASN N N 116.089 0.300 1 496 50 50 ASN ND2 N 117.091 0.300 1 497 51 51 CYS H H 8.867 0.030 1 498 51 51 CYS HA H 4.080 0.030 1 499 51 51 CYS HB2 H 3.155 0.030 2 500 51 51 CYS HB3 H 2.973 0.030 2 501 51 51 CYS C C 175.602 0.300 1 502 51 51 CYS CA C 57.250 0.300 1 503 51 51 CYS CB C 30.897 0.300 1 504 51 51 CYS N N 125.196 0.300 1 505 52 52 PRO HA H 4.231 0.030 1 506 52 52 PRO HB2 H 2.037 0.030 2 507 52 52 PRO HB3 H 1.734 0.030 2 508 52 52 PRO HD2 H 3.544 0.030 2 509 52 52 PRO HD3 H 3.336 0.030 2 510 52 52 PRO HG2 H 1.359 0.030 2 511 52 52 PRO HG3 H 1.495 0.030 2 512 52 52 PRO C C 176.980 0.300 1 513 52 52 PRO CA C 64.229 0.300 1 514 52 52 PRO CB C 32.373 0.300 1 515 52 52 PRO CD C 50.641 0.300 1 516 52 52 PRO CG C 27.028 0.300 1 517 53 53 ILE H H 8.442 0.030 1 518 53 53 ILE HA H 3.839 0.030 1 519 53 53 ILE HB H 1.150 0.030 1 520 53 53 ILE HD1 H 0.508 0.030 1 521 53 53 ILE HG12 H 1.285 0.030 2 522 53 53 ILE HG13 H 1.142 0.030 2 523 53 53 ILE HG2 H 0.530 0.030 1 524 53 53 ILE C C 178.918 0.300 1 525 53 53 ILE CA C 62.782 0.300 1 526 53 53 ILE CB C 38.074 0.300 1 527 53 53 ILE CD1 C 11.077 0.300 1 528 53 53 ILE CG1 C 27.886 0.300 1 529 53 53 ILE CG2 C 17.199 0.300 1 530 53 53 ILE N N 121.795 0.300 1 531 54 54 CYS H H 9.393 0.030 1 532 54 54 CYS HA H 4.114 0.030 1 533 54 54 CYS HB2 H 2.823 0.030 2 534 54 54 CYS HB3 H 3.008 0.030 2 535 54 54 CYS C C 177.555 0.300 1 536 54 54 CYS CA C 64.569 0.300 1 537 54 54 CYS CB C 29.541 0.300 1 538 54 54 CYS N N 124.582 0.300 1 539 55 55 ARG H H 7.588 0.030 1 540 55 55 ARG HA H 4.161 0.030 1 541 55 55 ARG HB2 H 1.870 0.030 2 542 55 55 ARG HB3 H 1.795 0.030 2 543 55 55 ARG HD2 H 3.118 0.030 1 544 55 55 ARG HD3 H 3.118 0.030 1 545 55 55 ARG HG2 H 1.565 0.030 1 546 55 55 ARG HG3 H 1.565 0.030 1 547 55 55 ARG C C 177.030 0.300 1 548 55 55 ARG CA C 57.505 0.300 1 549 55 55 ARG CB C 29.883 0.300 1 550 55 55 ARG CD C 43.237 0.300 1 551 55 55 ARG CG C 27.079 0.300 1 552 55 55 ARG N N 116.087 0.300 1 553 56 56 LEU H H 7.467 0.030 1 554 56 56 LEU HA H 4.210 0.030 1 555 56 56 LEU HB2 H 1.598 0.030 2 556 56 56 LEU HB3 H 1.795 0.030 2 557 56 56 LEU HD1 H 0.890 0.030 1 558 56 56 LEU HD2 H 0.838 0.030 1 559 56 56 LEU HG H 1.655 0.030 1 560 56 56 LEU C C 177.941 0.300 1 561 56 56 LEU CA C 56.143 0.300 1 562 56 56 LEU CB C 41.708 0.300 1 563 56 56 LEU CD1 C 25.109 0.300 2 564 56 56 LEU CD2 C 23.240 0.300 2 565 56 56 LEU CG C 26.941 0.300 1 566 56 56 LEU N N 119.230 0.300 1 567 57 57 GLN H H 7.935 0.030 1 568 57 57 GLN HA H 4.258 0.030 1 569 57 57 GLN HB2 H 2.056 0.030 2 570 57 57 GLN HB3 H 2.162 0.030 2 571 57 57 GLN HE21 H 7.469 0.030 2 572 57 57 GLN HE22 H 6.870 0.030 2 573 57 57 GLN HG2 H 2.353 0.030 2 574 57 57 GLN HG3 H 2.418 0.030 2 575 57 57 GLN C C 176.413 0.300 1 576 57 57 GLN CA C 56.436 0.300 1 577 57 57 GLN CB C 28.997 0.300 1 578 57 57 GLN CG C 34.061 0.300 1 579 57 57 GLN N N 117.982 0.300 1 580 57 57 GLN NE2 N 111.786 0.300 1 581 58 58 MET H H 8.101 0.030 1 582 58 58 MET HA H 4.487 0.030 1 583 58 58 MET HB2 H 2.101 0.030 2 584 58 58 MET HB3 H 2.013 0.030 2 585 58 58 MET HE H 1.939 0.030 1 586 58 58 MET HG2 H 2.578 0.030 2 587 58 58 MET HG3 H 2.482 0.030 2 588 58 58 MET C C 176.564 0.300 1 589 58 58 MET CA C 55.973 0.300 1 590 58 58 MET CB C 32.696 0.300 1 591 58 58 MET CE C 16.840 0.300 1 592 58 58 MET CG C 32.065 0.300 1 593 58 58 MET N N 119.613 0.300 1 594 59 59 THR H H 8.081 0.030 1 595 59 59 THR HA H 4.326 0.030 1 596 59 59 THR HB H 4.239 0.030 1 597 59 59 THR HG2 H 1.198 0.030 1 598 59 59 THR C C 175.243 0.300 1 599 59 59 THR CA C 62.246 0.300 1 600 59 59 THR CB C 69.970 0.300 1 601 59 59 THR CG2 C 21.563 0.300 1 602 59 59 THR N N 114.052 0.300 1 603 60 60 GLY H H 8.416 0.030 1 604 60 60 GLY HA2 H 3.957 0.030 1 605 60 60 GLY HA3 H 3.957 0.030 1 606 60 60 GLY C C 173.992 0.300 1 607 60 60 GLY CA C 45.387 0.300 1 608 60 60 GLY N N 111.282 0.300 1 609 61 61 ALA H H 8.168 0.030 1 610 61 61 ALA HA H 4.286 0.030 1 611 61 61 ALA HB H 1.352 0.030 1 612 61 61 ALA C C 177.593 0.300 1 613 61 61 ALA CA C 52.674 0.300 1 614 61 61 ALA CB C 19.390 0.300 1 615 61 61 ALA N N 123.575 0.300 1 616 62 62 ASN H H 8.454 0.030 1 617 62 62 ASN HA H 4.683 0.030 1 618 62 62 ASN HB2 H 2.834 0.030 2 619 62 62 ASN HB3 H 2.736 0.030 2 620 62 62 ASN HD21 H 7.605 0.030 2 621 62 62 ASN HD22 H 6.917 0.030 2 622 62 62 ASN C C 175.341 0.300 1 623 62 62 ASN CA C 53.359 0.300 1 624 62 62 ASN CB C 38.874 0.300 1 625 62 62 ASN N N 117.605 0.300 1 626 62 62 ASN ND2 N 113.172 0.300 1 627 63 63 GLU H H 8.389 0.030 1 628 63 63 GLU HA H 4.294 0.030 1 629 63 63 GLU HB2 H 1.933 0.030 2 630 63 63 GLU HB3 H 2.072 0.030 2 631 63 63 GLU HG2 H 2.222 0.030 1 632 63 63 GLU HG3 H 2.222 0.030 1 633 63 63 GLU C C 176.639 0.300 1 634 63 63 GLU CA C 56.854 0.300 1 635 63 63 GLU CB C 30.211 0.300 1 636 63 63 GLU CG C 36.211 0.300 1 637 63 63 GLU N N 121.198 0.300 1 638 64 64 SER H H 8.380 0.030 1 639 64 64 SER HA H 4.491 0.030 1 640 64 64 SER HB2 H 3.900 0.030 2 641 64 64 SER HB3 H 3.858 0.030 2 642 64 64 SER C C 174.668 0.300 1 643 64 64 SER CA C 58.390 0.300 1 644 64 64 SER CB C 63.809 0.300 1 645 64 64 SER N N 116.595 0.300 1 646 65 65 SER H H 8.346 0.030 1 647 65 65 SER HA H 4.531 0.030 1 648 65 65 SER HB2 H 3.896 0.030 1 649 65 65 SER HB3 H 3.896 0.030 1 650 65 65 SER C C 173.962 0.300 1 651 65 65 SER CA C 58.395 0.300 1 652 65 65 SER CB C 63.949 0.300 1 653 65 65 SER N N 117.822 0.300 1 654 66 66 GLY HA2 H 4.139 0.030 2 655 66 66 GLY HA3 H 4.087 0.030 2 656 66 66 GLY CA C 44.634 0.300 1 657 67 67 PRO HA H 4.449 0.030 1 658 67 67 PRO HB2 H 2.266 0.030 1 659 67 67 PRO HB3 H 2.266 0.030 1 660 67 67 PRO HD2 H 3.600 0.030 1 661 67 67 PRO HD3 H 3.600 0.030 1 662 67 67 PRO HG2 H 1.988 0.030 1 663 67 67 PRO HG3 H 1.988 0.030 1 664 67 67 PRO CA C 63.143 0.300 1 665 67 67 PRO CB C 32.198 0.300 1 666 67 67 PRO CD C 49.781 0.300 1 667 67 67 PRO CG C 27.139 0.300 1 stop_ save_