data_11162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126 ; _BMRB_accession_number 11162 _BMRB_flat_file_name bmr11162.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Kigawa T. . . 5 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" 410 "13C chemical shifts" 307 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126 ; _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Kigawa T. . . 5 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 126' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger, C3HC4 type (RING finger)' $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 'Zinc finger, C3HC4 type (RING finger)' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GSSGSSGTEEHVGSGLECPV CKEDYALGESVRQLPCNHLF HDSCIVPWLEQHDSCPVCRK SLTGQNTATNPPGLTGVG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLU 10 GLU 11 HIS 12 VAL 13 GLY 14 SER 15 GLY 16 LEU 17 GLU 18 CYS 19 PRO 20 VAL 21 CYS 22 LYS 23 GLU 24 ASP 25 TYR 26 ALA 27 LEU 28 GLY 29 GLU 30 SER 31 VAL 32 ARG 33 GLN 34 LEU 35 PRO 36 CYS 37 ASN 38 HIS 39 LEU 40 PHE 41 HIS 42 ASP 43 SER 44 CYS 45 ILE 46 VAL 47 PRO 48 TRP 49 LEU 50 GLU 51 GLN 52 HIS 53 ASP 54 SER 55 CYS 56 PRO 57 VAL 58 CYS 59 ARG 60 LYS 61 SER 62 LEU 63 THR 64 GLY 65 GLN 66 ASN 67 THR 68 ALA 69 THR 70 ASN 71 PRO 72 PRO 73 GLY 74 LEU 75 THR 76 GLY 77 VAL 78 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 2ECT "Solution Structure Of The Zinc Finger, C3hc4 Type (Ring Finger) Domain Of Ring Finger Protein 126" 100.00 78 100.00 100.00 1.37e-48 DBJ BAE32824 "unnamed protein product [Mus musculus]" 91.03 313 100.00 100.00 3.85e-43 GB AAH16543 "Ring finger protein 126 [Mus musculus]" 91.03 313 100.00 100.00 3.85e-43 GB AAH99810 "Ring finger protein 126 [Rattus norvegicus]" 91.03 328 98.59 98.59 2.12e-42 GB EDL31663 "ring finger protein 126, isoform CRA_b, partial [Mus musculus]" 91.03 303 100.00 100.00 4.20e-43 GB EGV99466 "RING finger protein 126 [Cricetulus griseus]" 91.03 135 97.18 98.59 3.09e-44 GB ERE72376 "E3 ubiquitin-protein ligase [Cricetulus griseus]" 56.41 391 97.73 100.00 1.27e-21 REF NP_001028874 "E3 ubiquitin-protein ligase RNF126 [Rattus norvegicus]" 91.03 328 98.59 98.59 2.12e-42 REF NP_653111 "E3 ubiquitin-protein ligase RNF126 [Mus musculus]" 91.03 313 100.00 100.00 3.85e-43 REF XP_004632706 "PREDICTED: E3 ubiquitin-protein ligase RNF126 [Octodon degus]" 85.90 348 97.01 98.51 1.61e-38 REF XP_004654916 "PREDICTED: E3 ubiquitin-protein ligase RNF126 [Jaculus jaculus]" 91.03 313 97.18 98.59 7.19e-42 REF XP_005359164 "PREDICTED: E3 ubiquitin-protein ligase RNF126 [Microtus ochrogaster]" 91.03 313 97.18 98.59 6.60e-42 SP Q91YL2 "RecName: Full=E3 ubiquitin-protein ligase RNF126; AltName: Full=RING finger protein 126" 91.03 313 100.00 100.00 3.85e-43 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P060411-08 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.06mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 {;0.05mM} ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.06 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 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 0.9747 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 '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 'Zinc finger, C3HC4 type (RING finger)' _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 4 4 GLY HA2 H 4.027 0.030 1 2 4 4 GLY HA3 H 4.027 0.030 1 3 4 4 GLY CA C 45.347 0.300 1 4 5 5 SER H H 8.177 0.030 1 5 5 5 SER HA H 4.527 0.030 1 6 5 5 SER HB2 H 3.895 0.030 1 7 5 5 SER HB3 H 3.895 0.030 1 8 5 5 SER CA C 58.199 0.300 1 9 5 5 SER CB C 63.929 0.300 1 10 5 5 SER N N 114.641 0.300 1 11 6 6 SER H H 8.518 0.030 1 12 6 6 SER HA H 4.527 0.030 1 13 6 6 SER HB2 H 3.900 0.030 2 14 6 6 SER HB3 H 4.031 0.030 2 15 6 6 SER C C 175.080 0.300 1 16 6 6 SER CA C 58.446 0.300 1 17 6 6 SER CB C 63.774 0.300 1 18 6 6 SER N N 118.001 0.300 1 19 7 7 GLY H H 8.495 0.030 1 20 7 7 GLY HA2 H 4.041 0.030 1 21 7 7 GLY HA3 H 4.041 0.030 1 22 7 7 GLY C C 174.450 0.300 1 23 7 7 GLY CA C 45.743 0.300 1 24 7 7 GLY N N 111.003 0.300 1 25 8 8 THR H H 8.079 0.030 1 26 8 8 THR HA H 4.365 0.030 1 27 8 8 THR HB H 4.254 0.030 1 28 8 8 THR HG2 H 1.174 0.030 1 29 8 8 THR C C 174.694 0.300 1 30 8 8 THR CA C 61.783 0.300 1 31 8 8 THR CB C 69.828 0.300 1 32 8 8 THR CG2 C 21.620 0.300 1 33 8 8 THR N N 113.205 0.300 1 34 9 9 GLU H H 8.530 0.030 1 35 9 9 GLU HA H 4.282 0.030 1 36 9 9 GLU HB2 H 2.018 0.030 2 37 9 9 GLU HB3 H 1.903 0.030 2 38 9 9 GLU HG2 H 2.241 0.030 1 39 9 9 GLU HG3 H 2.241 0.030 1 40 9 9 GLU C C 176.380 0.300 1 41 9 9 GLU CA C 56.662 0.300 1 42 9 9 GLU CB C 30.114 0.300 1 43 9 9 GLU CG C 36.286 0.300 1 44 9 9 GLU N N 123.003 0.300 1 45 10 10 GLU H H 8.379 0.030 1 46 10 10 GLU HA H 4.203 0.030 1 47 10 10 GLU HB2 H 1.854 0.030 2 48 10 10 GLU HB3 H 1.931 0.030 2 49 10 10 GLU HG2 H 2.138 0.030 2 50 10 10 GLU HG3 H 2.209 0.030 2 51 10 10 GLU C C 176.181 0.300 1 52 10 10 GLU CA C 56.635 0.300 1 53 10 10 GLU CB C 30.419 0.300 1 54 10 10 GLU CG C 36.185 0.300 1 55 10 10 GLU N N 121.810 0.300 1 56 11 11 HIS H H 8.418 0.030 1 57 11 11 HIS HA H 4.656 0.030 1 58 11 11 HIS HB2 H 3.102 0.030 2 59 11 11 HIS HB3 H 3.063 0.030 2 60 11 11 HIS HD2 H 7.022 0.030 1 61 11 11 HIS HE1 H 8.072 0.030 1 62 11 11 HIS C C 175.014 0.300 1 63 11 11 HIS CA C 55.808 0.300 1 64 11 11 HIS CB C 30.211 0.300 1 65 11 11 HIS CD2 C 119.863 0.300 1 66 11 11 HIS CE1 C 137.705 0.300 1 67 11 11 HIS N N 120.313 0.300 1 68 12 12 VAL H H 8.127 0.030 1 69 12 12 VAL HA H 4.048 0.030 1 70 12 12 VAL HB H 2.008 0.030 1 71 12 12 VAL HG1 H 0.881 0.030 1 72 12 12 VAL HG2 H 0.863 0.030 1 73 12 12 VAL C C 176.533 0.300 1 74 12 12 VAL CA C 62.608 0.300 1 75 12 12 VAL CB C 32.560 0.300 1 76 12 12 VAL CG1 C 21.145 0.300 2 77 12 12 VAL CG2 C 20.647 0.300 2 78 12 12 VAL N N 122.578 0.300 1 79 13 13 GLY H H 8.541 0.030 1 80 13 13 GLY HA2 H 3.954 0.030 1 81 13 13 GLY HA3 H 3.954 0.030 1 82 13 13 GLY C C 174.195 0.300 1 83 13 13 GLY CA C 45.181 0.300 1 84 13 13 GLY N N 112.770 0.300 1 85 14 14 SER H H 8.413 0.030 1 86 14 14 SER HA H 4.414 0.030 1 87 14 14 SER HB2 H 3.881 0.030 2 88 14 14 SER HB3 H 3.913 0.030 2 89 14 14 SER C C 175.467 0.300 1 90 14 14 SER CA C 58.814 0.300 1 91 14 14 SER CB C 64.162 0.300 1 92 14 14 SER N N 116.047 0.300 1 93 15 15 GLY H H 8.702 0.030 1 94 15 15 GLY HA2 H 4.044 0.030 2 95 15 15 GLY HA3 H 3.912 0.030 2 96 15 15 GLY C C 173.995 0.300 1 97 15 15 GLY CA C 45.560 0.300 1 98 15 15 GLY N N 111.655 0.300 1 99 16 16 LEU H H 8.095 0.030 1 100 16 16 LEU HA H 4.443 0.030 1 101 16 16 LEU HB2 H 1.549 0.030 2 102 16 16 LEU HB3 H 1.610 0.030 2 103 16 16 LEU HD1 H 0.832 0.030 1 104 16 16 LEU HD2 H 0.876 0.030 1 105 16 16 LEU HG H 1.506 0.030 1 106 16 16 LEU C C 175.355 0.300 1 107 16 16 LEU CA C 54.579 0.300 1 108 16 16 LEU CB C 42.570 0.300 1 109 16 16 LEU CD1 C 23.076 0.300 2 110 16 16 LEU CD2 C 25.256 0.300 2 111 16 16 LEU CG C 26.881 0.300 1 112 16 16 LEU N N 121.306 0.300 1 113 17 17 GLU H H 7.896 0.030 1 114 17 17 GLU HA H 4.077 0.030 1 115 17 17 GLU HB2 H 1.567 0.030 2 116 17 17 GLU HB3 H 1.494 0.030 2 117 17 17 GLU HG2 H 1.856 0.030 2 118 17 17 GLU HG3 H 1.795 0.030 2 119 17 17 GLU C C 175.300 0.300 1 120 17 17 GLU CA C 54.594 0.300 1 121 17 17 GLU CB C 31.827 0.300 1 122 17 17 GLU CG C 35.622 0.300 1 123 17 17 GLU N N 118.595 0.300 1 124 18 18 CYS H H 7.919 0.030 1 125 18 18 CYS HA H 4.700 0.030 1 126 18 18 CYS HB2 H 3.446 0.030 2 127 18 18 CYS HB3 H 2.258 0.030 2 128 18 18 CYS C C 176.166 0.300 1 129 18 18 CYS CA C 56.404 0.300 1 130 18 18 CYS CB C 31.735 0.300 1 131 18 18 CYS N N 128.181 0.300 1 132 19 19 PRO HA H 4.400 0.030 1 133 19 19 PRO HB2 H 1.677 0.030 2 134 19 19 PRO HB3 H 2.338 0.030 2 135 19 19 PRO HD2 H 3.816 0.030 2 136 19 19 PRO HD3 H 4.181 0.030 2 137 19 19 PRO HG2 H 1.829 0.030 2 138 19 19 PRO HG3 H 1.565 0.030 2 139 19 19 PRO C C 177.818 0.300 1 140 19 19 PRO CA C 64.173 0.300 1 141 19 19 PRO CB C 33.245 0.300 1 142 19 19 PRO CD C 51.788 0.300 1 143 19 19 PRO CG C 27.602 0.300 1 144 20 20 VAL H H 8.441 0.030 1 145 20 20 VAL HA H 3.890 0.030 1 146 20 20 VAL HB H 2.175 0.030 1 147 20 20 VAL HG1 H 1.049 0.030 1 148 20 20 VAL HG2 H 0.844 0.030 1 149 20 20 VAL C C 176.169 0.300 1 150 20 20 VAL CA C 65.295 0.300 1 151 20 20 VAL CB C 32.631 0.300 1 152 20 20 VAL CG1 C 20.443 0.300 2 153 20 20 VAL CG2 C 21.860 0.300 2 154 20 20 VAL N N 118.159 0.300 1 155 21 21 CYS H H 7.574 0.030 1 156 21 21 CYS HA H 4.804 0.030 1 157 21 21 CYS HB2 H 3.237 0.030 2 158 21 21 CYS HB3 H 3.076 0.030 2 159 21 21 CYS C C 175.728 0.300 1 160 21 21 CYS CA C 58.393 0.300 1 161 21 21 CYS CB C 31.215 0.300 1 162 21 21 CYS N N 116.336 0.300 1 163 22 22 LYS H H 8.232 0.030 1 164 22 22 LYS HA H 3.917 0.030 1 165 22 22 LYS HB2 H 2.092 0.030 2 166 22 22 LYS HB3 H 1.954 0.030 2 167 22 22 LYS HD2 H 1.536 0.030 2 168 22 22 LYS HD3 H 1.570 0.030 2 169 22 22 LYS HE2 H 2.929 0.030 2 170 22 22 LYS HE3 H 2.967 0.030 2 171 22 22 LYS HG2 H 1.189 0.030 2 172 22 22 LYS HG3 H 1.278 0.030 2 173 22 22 LYS C C 174.951 0.300 1 174 22 22 LYS CA C 57.478 0.300 1 175 22 22 LYS CB C 28.433 0.300 1 176 22 22 LYS CD C 28.417 0.300 1 177 22 22 LYS CE C 42.438 0.300 1 178 22 22 LYS CG C 24.884 0.300 1 179 22 22 LYS N N 118.072 0.300 1 180 23 23 GLU H H 8.289 0.030 1 181 23 23 GLU HA H 4.668 0.030 1 182 23 23 GLU HB2 H 2.187 0.030 2 183 23 23 GLU HB3 H 2.142 0.030 2 184 23 23 GLU HG2 H 2.347 0.030 2 185 23 23 GLU HG3 H 2.217 0.030 2 186 23 23 GLU C C 176.024 0.300 1 187 23 23 GLU CA C 54.749 0.300 1 188 23 23 GLU CB C 31.679 0.300 1 189 23 23 GLU CG C 35.675 0.300 1 190 23 23 GLU N N 118.818 0.300 1 191 24 24 ASP H H 8.440 0.030 1 192 24 24 ASP HA H 4.570 0.030 1 193 24 24 ASP HB2 H 2.584 0.030 1 194 24 24 ASP HB3 H 2.584 0.030 1 195 24 24 ASP C C 177.074 0.300 1 196 24 24 ASP CA C 53.838 0.300 1 197 24 24 ASP CB C 41.234 0.300 1 198 24 24 ASP N N 120.510 0.300 1 199 25 25 TYR H H 8.005 0.030 1 200 25 25 TYR HA H 4.662 0.030 1 201 25 25 TYR HB2 H 2.845 0.030 2 202 25 25 TYR HB3 H 2.682 0.030 2 203 25 25 TYR HD1 H 6.663 0.030 1 204 25 25 TYR HD2 H 6.663 0.030 1 205 25 25 TYR HE1 H 6.167 0.030 1 206 25 25 TYR HE2 H 6.167 0.030 1 207 25 25 TYR C C 175.841 0.300 1 208 25 25 TYR CA C 58.078 0.300 1 209 25 25 TYR CB C 38.592 0.300 1 210 25 25 TYR CD1 C 132.486 0.300 1 211 25 25 TYR CD2 C 132.486 0.300 1 212 25 25 TYR CE1 C 117.076 0.300 1 213 25 25 TYR CE2 C 117.076 0.300 1 214 25 25 TYR N N 119.577 0.300 1 215 26 26 ALA H H 8.950 0.030 1 216 26 26 ALA HA H 4.569 0.030 1 217 26 26 ALA HB H 1.393 0.030 1 218 26 26 ALA C C 177.735 0.300 1 219 26 26 ALA CA C 50.763 0.300 1 220 26 26 ALA CB C 20.689 0.300 1 221 26 26 ALA N N 126.188 0.300 1 222 27 27 LEU H H 8.370 0.030 1 223 27 27 LEU HA H 4.138 0.030 1 224 27 27 LEU HB2 H 1.591 0.030 2 225 27 27 LEU HB3 H 1.650 0.030 2 226 27 27 LEU HD1 H 0.895 0.030 1 227 27 27 LEU HD2 H 0.944 0.030 1 228 27 27 LEU HG H 1.646 0.030 1 229 27 27 LEU C C 178.431 0.300 1 230 27 27 LEU CA C 56.567 0.300 1 231 27 27 LEU CB C 41.541 0.300 1 232 27 27 LEU CD1 C 24.008 0.300 2 233 27 27 LEU CD2 C 24.672 0.300 2 234 27 27 LEU CG C 26.983 0.300 1 235 27 27 LEU N N 121.862 0.300 1 236 28 28 GLY H H 8.804 0.030 1 237 28 28 GLY HA2 H 4.202 0.030 2 238 28 28 GLY HA3 H 3.777 0.030 2 239 28 28 GLY C C 174.748 0.300 1 240 28 28 GLY CA C 45.255 0.300 1 241 28 28 GLY N N 111.954 0.300 1 242 29 29 GLU H H 7.869 0.030 1 243 29 29 GLU HA H 4.434 0.030 1 244 29 29 GLU HB2 H 2.369 0.030 2 245 29 29 GLU HB3 H 2.111 0.030 2 246 29 29 GLU HG2 H 2.348 0.030 2 247 29 29 GLU HG3 H 2.396 0.030 2 248 29 29 GLU C C 176.811 0.300 1 249 29 29 GLU CA C 56.544 0.300 1 250 29 29 GLU CB C 30.842 0.300 1 251 29 29 GLU CG C 37.190 0.300 1 252 29 29 GLU N N 119.774 0.300 1 253 30 30 SER H H 8.833 0.030 1 254 30 30 SER HA H 4.598 0.030 1 255 30 30 SER HB2 H 4.028 0.030 2 256 30 30 SER HB3 H 3.984 0.030 2 257 30 30 SER C C 174.823 0.300 1 258 30 30 SER CA C 58.771 0.300 1 259 30 30 SER CB C 63.306 0.300 1 260 30 30 SER N N 117.812 0.300 1 261 31 31 VAL H H 8.552 0.030 1 262 31 31 VAL HA H 4.888 0.030 1 263 31 31 VAL HB H 1.793 0.030 1 264 31 31 VAL HG1 H 0.490 0.030 1 265 31 31 VAL HG2 H 0.602 0.030 1 266 31 31 VAL C C 174.787 0.300 1 267 31 31 VAL CA C 60.395 0.300 1 268 31 31 VAL CB C 34.892 0.300 1 269 31 31 VAL CG1 C 21.800 0.300 2 270 31 31 VAL CG2 C 19.546 0.300 2 271 31 31 VAL N N 123.560 0.300 1 272 32 32 ARG H H 9.201 0.030 1 273 32 32 ARG HA H 4.637 0.030 1 274 32 32 ARG HB2 H 1.920 0.030 2 275 32 32 ARG HB3 H 1.736 0.030 2 276 32 32 ARG HD2 H 3.113 0.030 2 277 32 32 ARG HD3 H 3.239 0.030 2 278 32 32 ARG HE H 7.415 0.030 1 279 32 32 ARG HG2 H 1.588 0.030 2 280 32 32 ARG HG3 H 1.485 0.030 2 281 32 32 ARG C C 173.282 0.300 1 282 32 32 ARG CA C 54.620 0.300 1 283 32 32 ARG CB C 33.684 0.300 1 284 32 32 ARG CD C 42.818 0.300 1 285 32 32 ARG CG C 27.223 0.300 1 286 32 32 ARG N N 124.333 0.300 1 287 32 32 ARG NE N 112.162 0.300 1 288 33 33 GLN H H 8.965 0.030 1 289 33 33 GLN HA H 5.133 0.030 1 290 33 33 GLN HB2 H 2.078 0.030 2 291 33 33 GLN HB3 H 1.737 0.030 2 292 33 33 GLN HE21 H 6.787 0.030 2 293 33 33 GLN HE22 H 7.370 0.030 2 294 33 33 GLN HG2 H 2.449 0.030 2 295 33 33 GLN HG3 H 1.939 0.030 2 296 33 33 GLN C C 176.282 0.300 1 297 33 33 GLN CA C 54.090 0.300 1 298 33 33 GLN CB C 31.059 0.300 1 299 33 33 GLN CG C 33.842 0.300 1 300 33 33 GLN N N 127.395 0.300 1 301 33 33 GLN NE2 N 111.717 0.300 1 302 34 34 LEU H H 8.718 0.030 1 303 34 34 LEU HA H 4.868 0.030 1 304 34 34 LEU HB2 H 2.475 0.030 2 305 34 34 LEU HB3 H 1.991 0.030 2 306 34 34 LEU HD1 H 1.154 0.030 1 307 34 34 LEU HD2 H 0.982 0.030 1 308 34 34 LEU HG H 2.077 0.030 1 309 34 34 LEU C C 177.480 0.300 1 310 34 34 LEU CA C 54.164 0.300 1 311 34 34 LEU CB C 41.648 0.300 1 312 34 34 LEU CD1 C 25.441 0.300 2 313 34 34 LEU CD2 C 22.258 0.300 2 314 34 34 LEU CG C 28.202 0.300 1 315 34 34 LEU N N 127.122 0.300 1 316 35 35 PRO HA H 4.408 0.030 1 317 35 35 PRO HB2 H 2.002 0.030 2 318 35 35 PRO HB3 H 2.457 0.030 2 319 35 35 PRO HD2 H 3.847 0.030 2 320 35 35 PRO HD3 H 3.967 0.030 2 321 35 35 PRO HG2 H 2.247 0.030 2 322 35 35 PRO HG3 H 2.087 0.030 2 323 35 35 PRO C C 175.803 0.300 1 324 35 35 PRO CA C 65.629 0.300 1 325 35 35 PRO CB C 31.586 0.300 1 326 35 35 PRO CD C 51.160 0.300 1 327 35 35 PRO CG C 28.092 0.300 1 328 36 36 CYS H H 7.379 0.030 1 329 36 36 CYS HA H 4.403 0.030 1 330 36 36 CYS HB2 H 3.106 0.030 2 331 36 36 CYS HB3 H 2.688 0.030 2 332 36 36 CYS C C 175.063 0.300 1 333 36 36 CYS CA C 57.554 0.300 1 334 36 36 CYS CB C 31.366 0.300 1 335 36 36 CYS N N 112.554 0.300 1 336 37 37 ASN H H 8.465 0.030 1 337 37 37 ASN HA H 4.218 0.030 1 338 37 37 ASN HB2 H 2.825 0.030 2 339 37 37 ASN HB3 H 3.127 0.030 2 340 37 37 ASN HD21 H 6.714 0.030 2 341 37 37 ASN HD22 H 7.296 0.030 2 342 37 37 ASN C C 175.000 0.300 1 343 37 37 ASN CA C 55.729 0.300 1 344 37 37 ASN CB C 36.614 0.300 1 345 37 37 ASN N N 114.159 0.300 1 346 37 37 ASN ND2 N 111.614 0.300 1 347 38 38 HIS H H 7.938 0.030 1 348 38 38 HIS HA H 4.475 0.030 1 349 38 38 HIS HB2 H 3.361 0.030 2 350 38 38 HIS HB3 H 2.816 0.030 2 351 38 38 HIS HD2 H 7.280 0.030 1 352 38 38 HIS HE1 H 7.867 0.030 1 353 38 38 HIS C C 172.479 0.300 1 354 38 38 HIS CA C 61.331 0.300 1 355 38 38 HIS CB C 31.136 0.300 1 356 38 38 HIS CD2 C 118.596 0.300 1 357 38 38 HIS CE1 C 138.346 0.300 1 358 38 38 HIS N N 121.328 0.300 1 359 39 39 LEU H H 7.970 0.030 1 360 39 39 LEU HA H 5.029 0.030 1 361 39 39 LEU HB2 H 1.265 0.030 1 362 39 39 LEU HB3 H 1.265 0.030 1 363 39 39 LEU HD1 H 0.654 0.030 1 364 39 39 LEU HD2 H 0.484 0.030 1 365 39 39 LEU HG H 1.298 0.030 1 366 39 39 LEU C C 174.900 0.300 1 367 39 39 LEU CA C 54.272 0.300 1 368 39 39 LEU CB C 45.676 0.300 1 369 39 39 LEU CD1 C 24.911 0.300 2 370 39 39 LEU CD2 C 25.230 0.300 2 371 39 39 LEU CG C 27.275 0.300 1 372 39 39 LEU N N 124.784 0.300 1 373 40 40 PHE H H 8.245 0.030 1 374 40 40 PHE HA H 5.335 0.030 1 375 40 40 PHE HB2 H 2.442 0.030 2 376 40 40 PHE HB3 H 3.349 0.030 2 377 40 40 PHE HD1 H 7.223 0.030 1 378 40 40 PHE HD2 H 7.223 0.030 1 379 40 40 PHE HE1 H 7.056 0.030 1 380 40 40 PHE HE2 H 7.056 0.030 1 381 40 40 PHE HZ H 7.517 0.030 1 382 40 40 PHE C C 177.518 0.300 1 383 40 40 PHE CA C 56.290 0.300 1 384 40 40 PHE CB C 46.259 0.300 1 385 40 40 PHE CD1 C 132.427 0.300 1 386 40 40 PHE CD2 C 132.427 0.300 1 387 40 40 PHE CE1 C 130.896 0.300 1 388 40 40 PHE CE2 C 130.896 0.300 1 389 40 40 PHE CZ C 130.068 0.300 1 390 40 40 PHE N N 116.695 0.300 1 391 41 41 HIS H H 8.640 0.030 1 392 41 41 HIS HA H 4.928 0.030 1 393 41 41 HIS HB2 H 3.844 0.030 2 394 41 41 HIS HB3 H 3.745 0.030 2 395 41 41 HIS HD2 H 7.244 0.030 1 396 41 41 HIS HE1 H 7.290 0.030 1 397 41 41 HIS C C 178.275 0.300 1 398 41 41 HIS CA C 60.383 0.300 1 399 41 41 HIS CB C 31.188 0.300 1 400 41 41 HIS CD2 C 118.095 0.300 1 401 41 41 HIS CE1 C 138.732 0.300 1 402 41 41 HIS N N 119.200 0.300 1 403 42 42 ASP H H 9.165 0.030 1 404 42 42 ASP HA H 4.383 0.030 1 405 42 42 ASP HB2 H 2.655 0.030 2 406 42 42 ASP HB3 H 2.469 0.030 2 407 42 42 ASP C C 177.729 0.300 1 408 42 42 ASP CA C 58.886 0.300 1 409 42 42 ASP CB C 41.983 0.300 1 410 42 42 ASP N N 128.507 0.300 1 411 43 43 SER H H 8.945 0.030 1 412 43 43 SER HA H 4.236 0.030 1 413 43 43 SER HB2 H 4.049 0.030 2 414 43 43 SER HB3 H 3.960 0.030 2 415 43 43 SER C C 176.127 0.300 1 416 43 43 SER CA C 60.646 0.300 1 417 43 43 SER CB C 62.720 0.300 1 418 43 43 SER N N 109.558 0.300 1 419 44 44 CYS H H 7.258 0.030 1 420 44 44 CYS HA H 4.391 0.030 1 421 44 44 CYS HB2 H 3.235 0.030 2 422 44 44 CYS HB3 H 2.909 0.030 2 423 44 44 CYS C C 176.344 0.300 1 424 44 44 CYS CA C 62.602 0.300 1 425 44 44 CYS CB C 30.280 0.300 1 426 44 44 CYS N N 117.964 0.300 1 427 45 45 ILE H H 7.895 0.030 1 428 45 45 ILE HA H 4.593 0.030 1 429 45 45 ILE HB H 1.339 0.030 1 430 45 45 ILE HD1 H 0.001 0.030 1 431 45 45 ILE HG12 H 0.839 0.030 2 432 45 45 ILE HG13 H 1.321 0.030 2 433 45 45 ILE HG2 H 1.105 0.030 1 434 45 45 ILE C C 175.224 0.300 1 435 45 45 ILE CA C 57.706 0.300 1 436 45 45 ILE CB C 40.029 0.300 1 437 45 45 ILE CD1 C 13.275 0.300 1 438 45 45 ILE CG1 C 29.721 0.300 1 439 45 45 ILE CG2 C 20.212 0.300 1 440 45 45 ILE N N 116.996 0.300 1 441 46 46 VAL H H 8.168 0.030 1 442 46 46 VAL HA H 3.798 0.030 1 443 46 46 VAL HB H 2.233 0.030 1 444 46 46 VAL HG1 H 0.937 0.030 1 445 46 46 VAL HG2 H 1.108 0.030 1 446 46 46 VAL C C 175.868 0.300 1 447 46 46 VAL CA C 69.494 0.300 1 448 46 46 VAL CB C 29.955 0.300 1 449 46 46 VAL CG1 C 20.892 0.300 2 450 46 46 VAL CG2 C 24.545 0.300 2 451 46 46 VAL N N 125.098 0.300 1 452 47 47 PRO HA H 4.417 0.030 1 453 47 47 PRO HB2 H 2.379 0.030 2 454 47 47 PRO HB3 H 1.909 0.030 2 455 47 47 PRO HD2 H 3.480 0.030 2 456 47 47 PRO HD3 H 3.620 0.030 2 457 47 47 PRO HG2 H 2.184 0.030 2 458 47 47 PRO HG3 H 2.018 0.030 2 459 47 47 PRO C C 179.864 0.300 1 460 47 47 PRO CA C 65.611 0.300 1 461 47 47 PRO CB C 30.865 0.300 1 462 47 47 PRO CD C 50.229 0.300 1 463 47 47 PRO CG C 28.443 0.300 1 464 48 48 TRP H H 6.952 0.030 1 465 48 48 TRP HA H 4.389 0.030 1 466 48 48 TRP HB2 H 3.464 0.030 1 467 48 48 TRP HB3 H 3.464 0.030 1 468 48 48 TRP HD1 H 7.007 0.030 1 469 48 48 TRP HE1 H 9.823 0.030 1 470 48 48 TRP HE3 H 7.630 0.030 1 471 48 48 TRP HH2 H 6.874 0.030 1 472 48 48 TRP HZ2 H 7.005 0.030 1 473 48 48 TRP HZ3 H 7.030 0.030 1 474 48 48 TRP C C 178.601 0.300 1 475 48 48 TRP CA C 60.610 0.300 1 476 48 48 TRP CB C 28.848 0.300 1 477 48 48 TRP CD1 C 126.154 0.300 1 478 48 48 TRP CE3 C 120.436 0.300 1 479 48 48 TRP CH2 C 124.715 0.300 1 480 48 48 TRP CZ2 C 113.976 0.300 1 481 48 48 TRP CZ3 C 122.220 0.300 1 482 48 48 TRP N N 117.862 0.300 1 483 48 48 TRP NE1 N 129.923 0.300 1 484 49 49 LEU H H 8.403 0.030 1 485 49 49 LEU HA H 4.536 0.030 1 486 49 49 LEU HB2 H 1.646 0.030 2 487 49 49 LEU HB3 H 1.989 0.030 2 488 49 49 LEU HD1 H 0.894 0.030 1 489 49 49 LEU HD2 H 0.969 0.030 1 490 49 49 LEU HG H 1.975 0.030 1 491 49 49 LEU C C 178.902 0.300 1 492 49 49 LEU CA C 56.523 0.300 1 493 49 49 LEU CB C 41.338 0.300 1 494 49 49 LEU CD1 C 26.139 0.300 2 495 49 49 LEU CD2 C 22.261 0.300 2 496 49 49 LEU CG C 26.652 0.300 1 497 49 49 LEU N N 118.664 0.300 1 498 50 50 GLU H H 7.672 0.030 1 499 50 50 GLU HA H 3.987 0.030 1 500 50 50 GLU HB2 H 2.109 0.030 2 501 50 50 GLU HB3 H 2.002 0.030 2 502 50 50 GLU HG2 H 2.498 0.030 2 503 50 50 GLU HG3 H 2.210 0.030 2 504 50 50 GLU C C 177.679 0.300 1 505 50 50 GLU CA C 58.844 0.300 1 506 50 50 GLU CB C 29.924 0.300 1 507 50 50 GLU CG C 36.731 0.300 1 508 50 50 GLU N N 117.488 0.300 1 509 51 51 GLN H H 7.116 0.030 1 510 51 51 GLN HA H 4.191 0.030 1 511 51 51 GLN HB2 H 1.483 0.030 2 512 51 51 GLN HB3 H 1.377 0.030 2 513 51 51 GLN HE21 H 7.411 0.030 2 514 51 51 GLN HE22 H 6.714 0.030 2 515 51 51 GLN HG2 H 2.105 0.030 2 516 51 51 GLN HG3 H 1.970 0.030 2 517 51 51 GLN C C 175.274 0.300 1 518 51 51 GLN CA C 55.668 0.300 1 519 51 51 GLN CB C 30.781 0.300 1 520 51 51 GLN CG C 33.616 0.300 1 521 51 51 GLN N N 113.188 0.300 1 522 51 51 GLN NE2 N 112.005 0.300 1 523 52 52 HIS H H 7.892 0.030 1 524 52 52 HIS HA H 4.552 0.030 1 525 52 52 HIS HB2 H 2.831 0.030 2 526 52 52 HIS HB3 H 1.908 0.030 2 527 52 52 HIS HD2 H 5.796 0.030 1 528 52 52 HIS HE1 H 7.806 0.030 1 529 52 52 HIS C C 174.214 0.300 1 530 52 52 HIS CA C 55.320 0.300 1 531 52 52 HIS CB C 31.477 0.300 1 532 52 52 HIS CD2 C 120.304 0.300 1 533 52 52 HIS CE1 C 136.245 0.300 1 534 52 52 HIS N N 116.092 0.300 1 535 53 53 ASP H H 8.469 0.030 1 536 53 53 ASP HA H 4.759 0.030 1 537 53 53 ASP HB2 H 2.765 0.030 2 538 53 53 ASP HB3 H 2.681 0.030 2 539 53 53 ASP C C 175.092 0.300 1 540 53 53 ASP CA C 53.588 0.300 1 541 53 53 ASP CB C 40.715 0.300 1 542 53 53 ASP N N 119.863 0.300 1 543 54 54 SER H H 7.311 0.030 1 544 54 54 SER HA H 4.912 0.030 1 545 54 54 SER HB2 H 3.485 0.030 2 546 54 54 SER HB3 H 3.772 0.030 2 547 54 54 SER C C 172.290 0.300 1 548 54 54 SER CA C 56.348 0.300 1 549 54 54 SER CB C 65.949 0.300 1 550 54 54 SER N N 109.556 0.300 1 551 55 55 CYS H H 8.042 0.030 1 552 55 55 CYS HA H 4.399 0.030 1 553 55 55 CYS HB2 H 3.171 0.030 1 554 55 55 CYS HB3 H 3.171 0.030 1 555 55 55 CYS C C 176.271 0.300 1 556 55 55 CYS CA C 55.935 0.300 1 557 55 55 CYS CB C 32.356 0.300 1 558 55 55 CYS N N 121.674 0.300 1 559 56 56 PRO HA H 3.917 0.030 1 560 56 56 PRO HB2 H 1.183 0.030 2 561 56 56 PRO HB3 H 0.425 0.030 2 562 56 56 PRO HD2 H 3.112 0.030 2 563 56 56 PRO HD3 H 3.679 0.030 2 564 56 56 PRO HG2 H 0.372 0.030 2 565 56 56 PRO HG3 H 1.174 0.030 2 566 56 56 PRO C C 176.794 0.300 1 567 56 56 PRO CA C 64.448 0.300 1 568 56 56 PRO CB C 30.637 0.300 1 569 56 56 PRO CD C 50.393 0.300 1 570 56 56 PRO CG C 25.844 0.300 1 571 57 57 VAL H H 9.069 0.030 1 572 57 57 VAL HA H 3.726 0.030 1 573 57 57 VAL HB H 1.293 0.030 1 574 57 57 VAL HG1 H 0.393 0.030 1 575 57 57 VAL HG2 H 0.732 0.030 1 576 57 57 VAL C C 177.363 0.300 1 577 57 57 VAL CA C 64.948 0.300 1 578 57 57 VAL CB C 32.909 0.300 1 579 57 57 VAL CG1 C 20.175 0.300 2 580 57 57 VAL CG2 C 22.021 0.300 2 581 57 57 VAL N N 121.960 0.300 1 582 58 58 CYS H H 8.482 0.030 1 583 58 58 CYS HA H 4.737 0.030 1 584 58 58 CYS HB2 H 2.883 0.030 2 585 58 58 CYS HB3 H 3.307 0.030 2 586 58 58 CYS C C 176.235 0.300 1 587 58 58 CYS CA C 59.642 0.300 1 588 58 58 CYS CB C 31.927 0.300 1 589 59 59 ARG H H 7.971 0.030 1 590 59 59 ARG HA H 4.208 0.030 1 591 59 59 ARG HB2 H 2.081 0.030 2 592 59 59 ARG HB3 H 2.115 0.030 2 593 59 59 ARG HD2 H 3.211 0.030 2 594 59 59 ARG HD3 H 3.169 0.030 2 595 59 59 ARG HG2 H 1.542 0.030 1 596 59 59 ARG HG3 H 1.542 0.030 1 597 59 59 ARG C C 175.395 0.300 1 598 59 59 ARG CA C 57.656 0.300 1 599 59 59 ARG CB C 27.335 0.300 1 600 59 59 ARG CD C 43.058 0.300 1 601 59 59 ARG CG C 27.554 0.300 1 602 59 59 ARG N N 116.369 0.300 1 603 60 60 LYS H H 7.884 0.030 1 604 60 60 LYS HA H 4.351 0.030 1 605 60 60 LYS HB2 H 1.903 0.030 2 606 60 60 LYS HB3 H 1.841 0.030 2 607 60 60 LYS HD2 H 1.737 0.030 2 608 60 60 LYS HD3 H 1.693 0.030 2 609 60 60 LYS HE2 H 3.034 0.030 1 610 60 60 LYS HE3 H 3.034 0.030 1 611 60 60 LYS HG2 H 1.485 0.030 2 612 60 60 LYS HG3 H 1.628 0.030 2 613 60 60 LYS C C 177.550 0.300 1 614 60 60 LYS CA C 57.486 0.300 1 615 60 60 LYS CB C 33.182 0.300 1 616 60 60 LYS CD C 29.328 0.300 1 617 60 60 LYS CE C 42.396 0.300 1 618 60 60 LYS CG C 25.967 0.300 1 619 60 60 LYS N N 120.640 0.300 1 620 61 61 SER H H 8.657 0.030 1 621 61 61 SER HA H 4.523 0.030 1 622 61 61 SER HB2 H 4.035 0.030 2 623 61 61 SER HB3 H 3.903 0.030 2 624 61 61 SER C C 175.328 0.300 1 625 61 61 SER CA C 58.572 0.300 1 626 61 61 SER CB C 63.936 0.300 1 627 62 62 LEU H H 8.358 0.030 1 628 62 62 LEU HA H 4.373 0.030 1 629 62 62 LEU HB2 H 1.702 0.030 2 630 62 62 LEU HB3 H 1.702 0.030 2 631 62 62 LEU HD1 H 0.942 0.030 1 632 62 62 LEU HD2 H 0.938 0.030 1 633 62 62 LEU HG H 1.665 0.030 1 634 62 62 LEU C C 177.828 0.300 1 635 62 62 LEU CA C 56.378 0.300 1 636 62 62 LEU CB C 41.815 0.300 1 637 62 62 LEU CD1 C 25.510 0.300 2 638 62 62 LEU CD2 C 24.409 0.300 2 639 62 62 LEU CG C 28.351 0.300 1 640 62 62 LEU N N 124.955 0.300 1 641 63 63 THR H H 8.126 0.030 1 642 63 63 THR HA H 4.368 0.030 1 643 63 63 THR HB H 4.243 0.030 1 644 63 63 THR HG2 H 1.219 0.030 1 645 63 63 THR C C 175.451 0.300 1 646 63 63 THR CA C 61.980 0.300 1 647 63 63 THR CB C 69.852 0.300 1 648 63 63 THR CG2 C 21.461 0.300 1 649 63 63 THR N N 112.062 0.300 1 650 64 64 GLY H H 8.379 0.030 1 651 64 64 GLY HA2 H 3.991 0.030 2 652 64 64 GLY HA3 H 3.958 0.030 2 653 64 64 GLY C C 174.224 0.300 1 654 64 64 GLY CA C 45.510 0.300 1 655 64 64 GLY N N 110.995 0.300 1 656 65 65 GLN H H 8.235 0.030 1 657 65 65 GLN HA H 4.354 0.030 1 658 65 65 GLN HB2 H 2.117 0.030 2 659 65 65 GLN HB3 H 1.965 0.030 2 660 65 65 GLN HE21 H 6.859 0.030 2 661 65 65 GLN HE22 H 7.530 0.030 2 662 65 65 GLN HG2 H 2.337 0.030 1 663 65 65 GLN HG3 H 2.337 0.030 1 664 65 65 GLN C C 175.832 0.300 1 665 65 65 GLN CA C 55.740 0.300 1 666 65 65 GLN CB C 29.528 0.300 1 667 65 65 GLN CG C 33.794 0.300 1 668 65 65 GLN N N 119.415 0.300 1 669 65 65 GLN NE2 N 112.630 0.300 1 670 66 66 ASN H H 8.606 0.030 1 671 66 66 ASN HA H 4.786 0.030 1 672 66 66 ASN HB2 H 2.877 0.030 2 673 66 66 ASN HB3 H 2.784 0.030 2 674 66 66 ASN HD21 H 7.628 0.030 2 675 66 66 ASN HD22 H 6.955 0.030 2 676 66 66 ASN C C 175.435 0.300 1 677 66 66 ASN CA C 53.408 0.300 1 678 66 66 ASN CB C 38.874 0.300 1 679 66 66 ASN N N 120.094 0.300 1 680 66 66 ASN ND2 N 113.004 0.300 1 681 67 67 THR H H 8.180 0.030 1 682 67 67 THR HA H 4.315 0.030 1 683 67 67 THR HB H 4.265 0.030 1 684 67 67 THR HG2 H 1.220 0.030 1 685 67 67 THR C C 174.421 0.300 1 686 67 67 THR CA C 61.909 0.300 1 687 67 67 THR CB C 69.931 0.300 1 688 67 67 THR CG2 C 21.608 0.300 1 689 67 67 THR N N 114.351 0.300 1 690 68 68 ALA H H 8.356 0.030 1 691 68 68 ALA HA H 4.402 0.030 1 692 68 68 ALA HB H 1.413 0.030 1 693 68 68 ALA C C 177.824 0.300 1 694 68 68 ALA CA C 52.677 0.300 1 695 68 68 ALA CB C 19.318 0.300 1 696 68 68 ALA N N 126.309 0.300 1 697 69 69 THR H H 8.092 0.030 1 698 69 69 THR HA H 4.367 0.030 1 699 69 69 THR HB H 4.250 0.030 1 700 69 69 THR HG2 H 1.172 0.030 1 701 69 69 THR C C 174.134 0.300 1 702 69 69 THR CA C 61.975 0.300 1 703 69 69 THR CB C 69.931 0.300 1 704 69 69 THR CG2 C 21.624 0.300 1 705 69 69 THR N N 113.080 0.300 1 706 70 70 ASN H H 8.394 0.030 1 707 70 70 ASN HA H 4.998 0.030 1 708 70 70 ASN HB2 H 2.741 0.030 2 709 70 70 ASN HB3 H 2.632 0.030 2 710 70 70 ASN HD21 H 7.598 0.030 2 711 70 70 ASN HD22 H 6.927 0.030 2 712 70 70 ASN C C 172.417 0.300 1 713 70 70 ASN CA C 51.487 0.300 1 714 70 70 ASN CB C 38.776 0.300 1 715 70 70 ASN N N 121.948 0.300 1 716 70 70 ASN ND2 N 113.412 0.300 1 717 71 71 PRO HA H 4.695 0.030 1 718 71 71 PRO HB2 H 2.343 0.030 2 719 71 71 PRO HB3 H 1.915 0.030 2 720 71 71 PRO HD2 H 3.809 0.030 2 721 71 71 PRO HD3 H 3.632 0.030 2 722 71 71 PRO HG2 H 2.032 0.030 1 723 71 71 PRO HG3 H 2.032 0.030 1 724 71 71 PRO CA C 61.591 0.300 1 725 71 71 PRO CB C 30.829 0.300 1 726 71 71 PRO CD C 50.543 0.300 1 727 71 71 PRO CG C 27.356 0.300 1 728 72 72 PRO HA H 4.423 0.030 1 729 72 72 PRO HB2 H 1.940 0.030 2 730 72 72 PRO HB3 H 2.283 0.030 2 731 72 72 PRO HD2 H 3.667 0.030 2 732 72 72 PRO HD3 H 3.798 0.030 2 733 72 72 PRO HG2 H 2.034 0.030 1 734 72 72 PRO HG3 H 2.034 0.030 1 735 72 72 PRO C C 177.547 0.300 1 736 72 72 PRO CA C 63.293 0.300 1 737 72 72 PRO CB C 32.032 0.300 1 738 72 72 PRO CD C 50.521 0.300 1 739 72 72 PRO CG C 27.347 0.300 1 740 73 73 GLY H H 8.406 0.030 1 741 73 73 GLY HA2 H 3.976 0.030 2 742 73 73 GLY HA3 H 3.903 0.030 2 743 73 73 GLY C C 174.196 0.300 1 744 73 73 GLY CA C 45.231 0.300 1 745 73 73 GLY N N 108.577 0.300 1 746 74 74 LEU H H 8.138 0.030 1 747 74 74 LEU HA H 4.436 0.030 1 748 74 74 LEU HB2 H 1.626 0.030 2 749 74 74 LEU HB3 H 1.626 0.030 2 750 74 74 LEU HD1 H 0.913 0.030 1 751 74 74 LEU HD2 H 0.870 0.030 1 752 74 74 LEU HG H 1.505 0.030 1 753 74 74 LEU C C 177.743 0.300 1 754 74 74 LEU CA C 55.274 0.300 1 755 74 74 LEU CB C 42.637 0.300 1 756 74 74 LEU CD1 C 24.939 0.300 2 757 74 74 LEU CD2 C 23.525 0.300 2 758 74 74 LEU CG C 26.893 0.300 1 759 74 74 LEU N N 121.752 0.300 1 760 75 75 THR H H 8.177 0.030 1 761 75 75 THR HA H 4.367 0.030 1 762 75 75 THR HB H 4.267 0.030 1 763 75 75 THR HG2 H 1.177 0.030 1 764 75 75 THR C C 175.064 0.300 1 765 75 75 THR CA C 61.919 0.300 1 766 75 75 THR CB C 69.745 0.300 1 767 75 75 THR CG2 C 21.619 0.300 1 768 75 75 THR N N 114.334 0.300 1 769 76 76 GLY H H 8.405 0.030 1 770 76 76 GLY HA2 H 3.995 0.030 1 771 76 76 GLY HA3 H 3.995 0.030 1 772 76 76 GLY C C 174.009 0.300 1 773 76 76 GLY CA C 45.522 0.300 1 774 76 76 GLY N N 111.327 0.300 1 775 77 77 VAL H H 7.971 0.030 1 776 77 77 VAL HA H 4.213 0.030 1 777 77 77 VAL HB H 2.129 0.030 1 778 77 77 VAL HG1 H 0.944 0.030 1 779 77 77 VAL HG2 H 0.893 0.030 1 780 77 77 VAL C C 175.726 0.300 1 781 77 77 VAL CA C 62.040 0.300 1 782 77 77 VAL CB C 32.962 0.300 1 783 77 77 VAL CG1 C 21.199 0.300 2 784 77 77 VAL CG2 C 20.031 0.300 2 785 77 77 VAL N N 118.524 0.300 1 786 78 78 GLY H H 8.094 0.030 1 787 78 78 GLY HA2 H 3.726 0.030 2 788 78 78 GLY HA3 H 3.764 0.030 2 789 78 78 GLY C C 178.981 0.300 1 790 78 78 GLY CA C 46.100 0.300 1 791 78 78 GLY N N 118.676 0.300 1 stop_ save_