data_16137 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the first SAM domain from AIDA1 ; _BMRB_accession_number 16137 _BMRB_flat_file_name bmr16137.str _Entry_type original _Submission_date 2009-01-27 _Accession_date 2009-01-27 _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 Donaldson Logan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 333 "13C chemical shifts" 257 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-10-20 original author 'original release' stop_ _Original_release_date 2015-07-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the first SAM domain from AIDA1 ; _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 Donaldson Logan . . stop_ _Journal_abbreviation 'Not known' _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 . loop_ _Keyword 'SAM domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AIDA1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AIDA1_SAM1 $AIDA1_SAM1 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_AIDA1_SAM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AIDA1_SAM1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; GSDITSLYKKAGSEMNGPRC PVQTVGQWLESIGLPQYENH LMANGFDNVQFMGSNVMEDQ DLLEIGILNSGHRQRILQAI QLLPKMRPIGHDGYHPTSVA EWL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASP 4 ILE 5 THR 6 SER 7 LEU 8 TYR 9 LYS 10 LYS 11 ALA 12 GLY 13 SER 14 GLU 15 MET 16 ASN 17 GLY 18 PRO 19 ARG 20 CYS 21 PRO 22 VAL 23 GLN 24 THR 25 VAL 26 GLY 27 GLN 28 TRP 29 LEU 30 GLU 31 SER 32 ILE 33 GLY 34 LEU 35 PRO 36 GLN 37 TYR 38 GLU 39 ASN 40 HIS 41 LEU 42 MET 43 ALA 44 ASN 45 GLY 46 PHE 47 ASP 48 ASN 49 VAL 50 GLN 51 PHE 52 MET 53 GLY 54 SER 55 ASN 56 VAL 57 MET 58 GLU 59 ASP 60 GLN 61 ASP 62 LEU 63 LEU 64 GLU 65 ILE 66 GLY 67 ILE 68 LEU 69 ASN 70 SER 71 GLY 72 HIS 73 ARG 74 GLN 75 ARG 76 ILE 77 LEU 78 GLN 79 ALA 80 ILE 81 GLN 82 LEU 83 LEU 84 PRO 85 LYS 86 MET 87 ARG 88 PRO 89 ILE 90 GLY 91 HIS 92 ASP 93 GLY 94 TYR 95 HIS 96 PRO 97 THR 98 SER 99 VAL 100 ALA 101 GLU 102 TRP 103 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 2KE7 "Nmr Structure Of The First Sam Domain From Aida1" 100.00 103 100.00 100.00 1.34e-69 DBJ BAE01854 "unnamed protein product [Macaca fascicularis]" 86.41 426 97.75 98.88 2.57e-55 DBJ BAG57507 "unnamed protein product [Homo sapiens]" 84.47 394 100.00 100.00 1.87e-55 DBJ BAI47262 "ankyrin repeat and sterile alpha motif domain containing 1B [synthetic construct]" 86.41 414 97.75 98.88 1.77e-55 EMBL CAH91693 "hypothetical protein [Pongo abelii]" 86.41 510 97.75 98.88 1.48e-54 GB AAF80756 "putative 47 kDa protein [Homo sapiens]" 86.41 414 97.75 98.88 1.77e-55 GB AAH26313 "Ankyrin repeat and sterile alpha motif domain containing 1B [Homo sapiens]" 86.41 510 97.75 98.88 1.41e-54 GB AAH68451 "ANKS1B protein [Homo sapiens]" 60.19 357 100.00 100.00 6.88e-35 GB AAH98373 "Ankyrin repeat and sterile alpha motif domain containing 1B [Mus musculus]" 60.19 404 98.39 100.00 7.28e-34 GB AAI49112 "ANKS1B protein [Bos taurus]" 86.41 509 97.75 98.88 1.48e-54 REF NP_001095761 "ankyrin repeat and sterile alpha motif domain-containing protein 1B [Bos taurus]" 86.41 509 97.75 98.88 1.48e-54 REF NP_001121558 "ankyrin repeat and sterile alpha motif domain-containing protein 1B isoform 1 [Mus musculus]" 86.41 1255 98.88 100.00 5.72e-54 REF NP_001125990 "ankyrin repeat and sterile alpha motif domain-containing protein 1B [Pongo abelii]" 86.41 510 97.75 98.88 1.48e-54 REF NP_001170868 "ankyrin repeat and sterile alpha motif domain-containing protein 1B isoform 4 [Mus musculus]" 60.19 404 98.39 100.00 7.28e-34 REF NP_001190995 "ankyrin repeat and sterile alpha motif domain-containing protein 1B isoform e [Homo sapiens]" 60.19 357 100.00 100.00 7.10e-35 TPG DAA29568 "TPA: cajalin 2 [Bos taurus]" 86.41 509 97.75 98.88 1.48e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AIDA1_SAM1 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 _Variant _Vector_name _Details $AIDA1_SAM1 'recombinant technology' . Escherichia coli K12 BL21(DE3) pDEST586 ; This vector is from the NIH structural genomics consortium. It contains a His6 tag, Maltose Binding Protein tag and a TEV protease cleavage site ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NMRsample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AIDA1_SAM1 0.8 mM '[U-98% 13C; U-98% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.21 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details 'custom OS X version' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model NMRS _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NMRsample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NMRsample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NMRsample save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $NMRsample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NMRsample save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NMRsample save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $NMRsample save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NMRsample save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $NMRsample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.8 . pH pressure 1.0 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 're-referenced with PREDITOR from the Wishart Laboratory' 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_assignments_aida3 _Saveframe_category assigned_chemical_shifts _Details ; PREDITOR applied the following reference corrections to the chemical shifts: CA=-0.31, CB=0.30, CO=-0.65, HA=-0.02, N=-0.04, HN=-0.13 ; loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' stop_ loop_ _Sample_label $NMRsample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AIDA1_SAM1 _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 14 14 GLU H H 7.91 0.02 . 2 14 14 GLU C C 174.05 0.40 . 3 14 14 GLU N N 123.55 0.10 . 4 21 21 PRO CG C 26.76 0.40 . 5 22 22 VAL H H 7.99 0.02 . 6 22 22 VAL HA H 4.12 0.02 . 7 22 22 VAL HB H 2.06 0.02 . 8 22 22 VAL HG1 H 0.95 0.02 . 9 22 22 VAL HG2 H 0.87 0.02 . 10 22 22 VAL C C 175.65 0.40 . 11 22 22 VAL CA C 62.08 0.40 . 12 22 22 VAL CB C 33.03 0.40 . 13 22 22 VAL CG1 C 21.14 0.40 . 14 22 22 VAL CG2 C 21.13 0.40 . 15 22 22 VAL N N 119.21 0.10 . 16 23 23 GLN H H 8.26 0.02 . 17 23 23 GLN HA H 4.60 0.02 . 18 23 23 GLN HB2 H 2.23 0.02 . 19 23 23 GLN HB3 H 1.93 0.02 . 20 23 23 GLN HG2 H 2.41 0.02 . 21 23 23 GLN HG3 H 2.54 0.02 . 22 23 23 GLN C C 175.26 0.40 . 23 23 23 GLN CA C 55.51 0.40 . 24 23 23 GLN CB C 31.15 0.40 . 25 23 23 GLN CG C 34.26 0.40 . 26 23 23 GLN N N 124.86 0.10 . 27 24 24 THR H H 8.24 0.02 . 28 24 24 THR HA H 4.80 0.02 . 29 24 24 THR HB H 4.58 0.02 . 30 24 24 THR HG2 H 1.35 0.02 . 31 24 24 THR C C 175.45 0.40 . 32 24 24 THR CA C 60.20 0.40 . 33 24 24 THR CB C 70.53 0.40 . 34 24 24 THR CG2 C 22.07 0.40 . 35 24 24 THR N N 113.13 0.10 . 36 25 25 VAL H H 8.88 0.02 . 37 25 25 VAL HA H 3.76 0.02 . 38 25 25 VAL HB H 2.27 0.02 . 39 25 25 VAL HG1 H 1.05 0.02 . 40 25 25 VAL HG2 H 1.15 0.02 . 41 25 25 VAL C C 174.89 0.40 . 42 25 25 VAL CB C 32.09 0.40 . 43 25 25 VAL CG1 C 23.76 0.40 . 44 25 25 VAL CG2 C 22.19 0.40 . 45 25 25 VAL N N 121.38 0.10 . 46 26 26 GLY H H 8.87 0.02 . 47 26 26 GLY HA2 H 3.62 0.02 . 48 26 26 GLY HA3 H 3.93 0.02 . 49 26 26 GLY C C 177.62 0.40 . 50 26 26 GLY CA C 47.08 0.40 . 51 26 26 GLY N N 107.49 0.10 . 52 27 27 GLN H H 7.91 0.02 . 53 27 27 GLN HA H 4.09 0.02 . 54 27 27 GLN HG2 H 2.55 0.02 . 55 27 27 GLN HG3 H 2.61 0.02 . 56 27 27 GLN C C 175.52 0.40 . 57 27 27 GLN CA C 58.33 0.40 . 58 27 27 GLN CB C 28.34 0.40 . 59 27 27 GLN CG C 34.26 0.40 . 60 27 27 GLN N N 122.25 0.10 . 61 28 28 TRP H H 8.63 0.02 . 62 28 28 TRP HA H 4.25 0.02 . 63 28 28 TRP HB2 H 3.52 0.02 . 64 28 28 TRP HB3 H 3.09 0.02 . 65 28 28 TRP HD1 H 7.24 0.02 . 66 28 28 TRP HE1 H 10.28 0.02 . 67 28 28 TRP HE3 H 7.50 0.02 . 68 28 28 TRP HH2 H 6.92 0.02 . 69 28 28 TRP HZ2 H 6.98 0.02 . 70 28 28 TRP HZ3 H 6.70 0.02 . 71 28 28 TRP C C 178.82 0.40 . 72 28 28 TRP CA C 61.14 0.40 . 73 28 28 TRP CB C 28.34 0.40 . 74 28 28 TRP CD1 C 127.15 0.40 . 75 28 28 TRP CE3 C 119.16 0.40 . 76 28 28 TRP CH2 C 123.54 0.40 . 77 28 28 TRP CZ2 C 113.37 0.40 . 78 28 28 TRP CZ3 C 120.75 0.40 . 79 28 28 TRP N N 123.99 0.10 . 80 28 28 TRP NE1 N 130.14 0.10 . 81 29 29 LEU H H 9.01 0.02 . 82 29 29 LEU HA H 3.42 0.02 . 83 29 29 LEU HB2 H 1.32 0.02 . 84 29 29 LEU HB3 H 1.79 0.02 . 85 29 29 LEU HD1 H 0.87 0.02 . 86 29 29 LEU HD2 H 0.56 0.02 . 87 29 29 LEU HG H 2.00 0.02 . 88 29 29 LEU C C 178.87 0.40 . 89 29 29 LEU CA C 56.99 0.40 . 90 29 29 LEU CB C 41.26 0.40 . 91 29 29 LEU CD1 C 26.68 0.40 . 92 29 29 LEU CD2 C 21.33 0.40 . 93 29 29 LEU N N 120.21 0.10 . 94 30 30 GLU H H 8.19 0.02 . 95 30 30 GLU HA H 3.74 0.02 . 96 30 30 GLU HB2 H 2.18 0.02 . 97 30 30 GLU HB3 H 2.09 0.02 . 98 30 30 GLU HG2 H 2.22 0.02 . 99 30 30 GLU HG3 H 2.28 0.02 . 100 30 30 GLU C C 179.87 0.40 . 101 30 30 GLU CA C 60.20 0.40 . 102 30 30 GLU CB C 28.34 0.40 . 103 30 30 GLU CG C 36.14 0.40 . 104 30 30 GLU N N 120.08 0.10 . 105 31 31 SER H H 7.81 0.02 . 106 31 31 SER HA H 4.26 0.02 . 107 31 31 SER HB2 H 4.03 0.02 . 108 31 31 SER HB3 H 4.03 0.02 . 109 31 31 SER C C 179.36 0.40 . 110 31 31 SER CA C 61.14 0.40 . 111 31 31 SER CB C 63.03 0.40 . 112 31 31 SER N N 117.04 0.10 . 113 32 32 ILE H H 6.81 0.02 . 114 32 32 ILE HA H 4.49 0.02 . 115 32 32 ILE HB H 1.85 0.02 . 116 32 32 ILE HD1 H 0.02 0.02 . 117 32 32 ILE HG12 H 0.88 0.02 . 118 32 32 ILE HG13 H 0.72 0.02 . 119 32 32 ILE HG2 H 0.47 0.02 . 120 32 32 ILE C C 174.73 0.40 . 121 32 32 ILE CA C 60.67 0.40 . 122 32 32 ILE CB C 37.71 0.40 . 123 32 32 ILE CD1 C 14.52 0.40 . 124 32 32 ILE CG1 C 26.17 0.40 . 125 32 32 ILE CG2 C 16.81 0.40 . 126 32 32 ILE N N 114.00 0.10 . 127 33 33 GLY H H 7.53 0.02 . 128 33 33 GLY HA2 H 4.00 0.02 . 129 33 33 GLY HA3 H 3.80 0.02 . 130 33 33 GLY C C 175.12 0.40 . 131 33 33 GLY CA C 45.20 0.40 . 132 33 33 GLY N N 109.66 0.10 . 133 34 34 LEU H H 7.52 0.02 . 134 34 34 LEU HA H 4.96 0.02 . 135 34 34 LEU HB2 H 1.51 0.02 . 136 34 34 LEU HB3 H 1.12 0.02 . 137 34 34 LEU HD1 H 0.65 0.02 . 138 34 34 LEU HD2 H 0.17 0.02 . 139 34 34 LEU HG H 1.16 0.02 . 140 34 34 LEU C C 172.99 0.40 . 141 34 34 LEU CA C 51.77 0.40 . 142 34 34 LEU CB C 43.34 0.40 . 143 34 34 LEU CD1 C 27.48 0.40 . 144 34 34 LEU CD2 C 22.08 0.40 . 145 34 34 LEU CG C 25.24 0.40 . 146 34 34 LEU N N 118.78 0.10 . 147 35 35 PRO HA H 4.12 0.02 . 148 35 35 PRO HB2 H 2.06 0.02 . 149 35 35 PRO HD2 H 3.65 0.02 . 150 35 35 PRO HD3 H 3.22 0.02 . 151 35 35 PRO HG2 H 1.94 0.02 . 152 35 35 PRO HG3 H 1.75 0.02 . 153 35 35 PRO CA C 64.89 0.40 . 154 35 35 PRO CB C 32.09 0.40 . 155 35 35 PRO CG C 26.76 0.40 . 156 36 36 GLN H H 9.75 0.02 . 157 36 36 GLN HA H 4.24 0.02 . 158 36 36 GLN HB2 H 1.75 0.02 . 159 36 36 GLN HB3 H 1.75 0.02 . 160 36 36 GLN C C 177.30 0.40 . 161 36 36 GLN CB C 26.46 0.40 . 162 36 36 GLN CG C 30.51 0.40 . 163 36 36 GLN N N 120.51 0.10 . 164 37 37 TYR H H 6.64 0.02 . 165 37 37 TYR HA H 5.67 0.02 . 166 37 37 TYR HB2 H 3.34 0.02 . 167 37 37 TYR HB3 H 2.30 0.02 . 168 37 37 TYR HD1 H 6.33 0.02 . 169 37 37 TYR HE1 H 6.66 0.02 . 170 37 37 TYR C C 176.18 0.40 . 171 37 37 TYR CA C 56.97 0.40 . 172 37 37 TYR CB C 37.33 0.40 . 173 37 37 TYR CD1 C 132.40 0.40 . 174 37 37 TYR CE1 C 117.60 0.40 . 175 37 37 TYR N N 119.65 0.10 . 176 38 38 GLU H H 7.37 0.02 . 177 38 38 GLU HA H 3.67 0.02 . 178 38 38 GLU HB2 H 2.09 0.02 . 179 38 38 GLU HB3 H 2.15 0.02 . 180 38 38 GLU HG2 H 2.29 0.02 . 181 38 38 GLU HG3 H 2.06 0.02 . 182 38 38 GLU C C 174.14 0.40 . 183 38 38 GLU CA C 61.14 0.40 . 184 38 38 GLU CB C 29.28 0.40 . 185 38 38 GLU CG C 36.14 0.40 . 186 38 38 GLU N N 122.25 0.10 . 187 39 39 ASN H H 9.10 0.02 . 188 39 39 ASN HA H 4.44 0.02 . 189 39 39 ASN HB2 H 2.80 0.02 . 190 39 39 ASN HB3 H 2.68 0.02 . 191 39 39 ASN C C 176.97 0.40 . 192 39 39 ASN CA C 56.45 0.40 . 193 39 39 ASN CB C 37.71 0.40 . 194 39 39 ASN N N 116.61 0.10 . 195 40 40 HIS H H 8.78 0.02 . 196 40 40 HIS HA H 4.12 0.02 . 197 40 40 HIS HB2 H 3.23 0.02 . 198 40 40 HIS HB3 H 3.12 0.02 . 199 40 40 HIS HD2 H 7.32 0.02 . 200 40 40 HIS HE1 H 7.89 0.02 . 201 40 40 HIS C C 176.40 0.40 . 202 40 40 HIS CA C 60.20 0.40 . 203 40 40 HIS CB C 29.62 0.40 . 204 40 40 HIS CE1 C 139.34 0.40 . 205 40 40 HIS N N 119.65 0.10 . 206 41 41 LEU H H 7.67 0.02 . 207 41 41 LEU HA H 4.30 0.02 . 208 41 41 LEU HB2 H 1.82 0.02 . 209 41 41 LEU HB3 H 1.82 0.02 . 210 41 41 LEU HD1 H 1.03 0.02 . 211 41 41 LEU HD2 H 0.88 0.02 . 212 41 41 LEU HG H 1.84 0.02 . 213 41 41 LEU C C 177.50 0.40 . 214 41 41 LEU CA C 59.26 0.40 . 215 41 41 LEU CB C 40.53 0.40 . 216 41 41 LEU CD1 C 26.27 0.40 . 217 41 41 LEU CD2 C 24.34 0.40 . 218 41 41 LEU CG C 30.12 0.40 . 219 41 41 LEU N N 117.72 0.10 . 220 42 42 MET H H 8.59 0.02 . 221 42 42 MET HA H 4.01 0.02 . 222 42 42 MET HB2 H 2.26 0.02 . 223 42 42 MET HB3 H 2.15 0.02 . 224 42 42 MET HE H 2.24 0.02 . 225 42 42 MET HG2 H 2.95 0.02 . 226 42 42 MET HG3 H 2.72 0.02 . 227 42 42 MET C C 178.54 0.40 . 228 42 42 MET CA C 58.33 0.40 . 229 42 42 MET CB C 31.15 0.40 . 230 42 42 MET CE C 16.41 0.40 . 231 42 42 MET CG C 32.39 0.40 . 232 42 42 MET N N 117.91 0.10 . 233 43 43 ALA H H 8.57 0.02 . 234 43 43 ALA HA H 4.25 0.02 . 235 43 43 ALA HB H 1.46 0.02 . 236 43 43 ALA C C 179.25 0.40 . 237 43 43 ALA CA C 53.64 0.40 . 238 43 43 ALA CB C 18.43 0.40 . 239 43 43 ALA N N 119.65 0.10 . 240 44 44 ASN H H 7.03 0.02 . 241 44 44 ASN HA H 4.91 0.02 . 242 44 44 ASN HB2 H 3.04 0.02 . 243 44 44 ASN HB3 H 2.71 0.02 . 244 44 44 ASN C C 177.64 0.40 . 245 44 44 ASN CA C 53.17 0.40 . 246 44 44 ASN CB C 40.53 0.40 . 247 44 44 ASN N N 114.00 0.10 . 248 45 45 GLY H H 7.54 0.02 . 249 45 45 GLY HA2 H 3.96 0.02 . 250 45 45 GLY HA3 H 3.62 0.02 . 251 45 45 GLY C C 173.04 0.40 . 252 45 45 GLY CA C 45.20 0.40 . 253 45 45 GLY N N 104.45 0.10 . 254 46 46 PHE H H 7.84 0.02 . 255 46 46 PHE HA H 3.75 0.02 . 256 46 46 PHE HB2 H 3.10 0.02 . 257 46 46 PHE HB3 H 2.94 0.02 . 258 46 46 PHE HD1 H 7.15 0.02 . 259 46 46 PHE HE1 H 6.64 0.02 . 260 46 46 PHE HE2 H 7.21 0.02 . 261 46 46 PHE HZ H 7.24 0.02 . 262 46 46 PHE C C 173.23 0.40 . 263 46 46 PHE CA C 56.45 0.40 . 264 46 46 PHE CB C 37.08 0.40 . 265 46 46 PHE CD1 C 134.00 0.40 . 266 46 46 PHE CE1 C 132.00 0.40 . 267 46 46 PHE N N 122.25 0.10 . 268 47 47 ASP H H 7.36 0.02 . 269 47 47 ASP HA H 4.16 0.02 . 270 47 47 ASP HB2 H 2.50 0.02 . 271 47 47 ASP HB3 H 3.03 0.02 . 272 47 47 ASP C C 172.90 0.40 . 273 47 47 ASP CA C 53.64 0.40 . 274 47 47 ASP CB C 41.46 0.40 . 275 47 47 ASP N N 113.51 0.10 . 276 48 48 ASN H H 7.67 0.02 . 277 48 48 ASN HA H 4.85 0.02 . 278 48 48 ASN HB2 H 2.67 0.02 . 279 48 48 ASN HB3 H 2.81 0.02 . 280 48 48 ASN HD21 H 6.86 0.02 . 281 48 48 ASN C C 176.27 0.40 . 282 48 48 ASN CA C 51.77 0.40 . 283 48 48 ASN CB C 40.53 0.40 . 284 48 48 ASN N N 117.72 0.10 . 285 49 49 VAL H H 8.91 0.02 . 286 49 49 VAL HA H 3.35 0.02 . 287 49 49 VAL HB H 1.80 0.02 . 288 49 49 VAL HG1 H 0.65 0.02 . 289 49 49 VAL HG2 H 0.36 0.02 . 290 49 49 VAL C C 174.90 0.40 . 291 49 49 VAL CA C 64.99 0.40 . 292 49 49 VAL CB C 31.36 0.40 . 293 49 49 VAL CG1 C 21.71 0.40 . 294 49 49 VAL CG2 C 21.22 0.40 . 295 49 49 VAL N N 123.99 0.10 . 296 50 50 GLN H H 8.10 0.02 . 297 50 50 GLN HA H 3.94 0.02 . 298 50 50 GLN HB2 H 1.94 0.02 . 299 50 50 GLN HB3 H 1.88 0.02 . 300 50 50 GLN HE21 H 7.41 0.02 . 301 50 50 GLN HG2 H 2.10 0.02 . 302 50 50 GLN HG3 H 2.22 0.02 . 303 50 50 GLN C C 176.13 0.40 . 304 50 50 GLN CA C 58.33 0.40 . 305 50 50 GLN CB C 28.34 0.40 . 306 50 50 GLN CG C 34.26 0.40 . 307 50 50 GLN N N 118.98 0.10 . 308 51 51 PHE H H 7.65 0.02 . 309 51 51 PHE HA H 4.53 0.02 . 310 51 51 PHE HB2 H 3.00 0.02 . 311 51 51 PHE HB3 H 3.28 0.02 . 312 51 51 PHE HD1 H 7.20 0.02 . 313 51 51 PHE HD2 H 7.29 0.02 . 314 51 51 PHE HE1 H 7.22 0.02 . 315 51 51 PHE HE2 H 7.34 0.02 . 316 51 51 PHE HZ H 7.30 0.02 . 317 51 51 PHE C C 177.15 0.40 . 318 51 51 PHE CA C 58.33 0.40 . 319 51 51 PHE CB C 39.32 0.40 . 320 51 51 PHE N N 117.29 0.10 . 321 52 52 MET H H 7.54 0.02 . 322 52 52 MET HA H 4.11 0.02 . 323 52 52 MET HB2 H 1.79 0.02 . 324 52 52 MET HB3 H 1.90 0.02 . 325 52 52 MET HE H 2.06 0.02 . 326 52 52 MET HG2 H 1.79 0.02 . 327 52 52 MET HG3 H 1.90 0.02 . 328 52 52 MET C C 176.76 0.40 . 329 52 52 MET CA C 57.39 0.40 . 330 52 52 MET CB C 32.09 0.40 . 331 52 52 MET CE C 17.23 0.40 . 332 52 52 MET CG C 27.70 0.40 . 333 52 52 MET N N 120.08 0.10 . 334 53 53 GLY H H 8.01 0.02 . 335 53 53 GLY HA2 H 3.94 0.02 . 336 53 53 GLY HA3 H 3.91 0.02 . 337 53 53 GLY C C 176.28 0.40 . 338 53 53 GLY CA C 45.78 0.40 . 339 53 53 GLY N N 104.01 0.10 . 340 54 54 SER H H 7.55 0.02 . 341 54 54 SER HB2 H 3.88 0.02 . 342 54 54 SER HB3 H 3.88 0.02 . 343 54 54 SER C C 173.82 0.40 . 344 54 54 SER CA C 59.26 0.40 . 345 54 54 SER CB C 63.96 0.40 . 346 54 54 SER N N 113.80 0.10 . 347 55 55 ASN H H 7.52 0.02 . 348 55 55 ASN HA H 4.73 0.02 . 349 55 55 ASN C C 173.17 0.40 . 350 55 55 ASN CA C 52.70 0.40 . 351 55 55 ASN CB C 39.59 0.40 . 352 55 55 ASN N N 119.65 0.10 . 353 56 56 VAL H H 7.98 0.02 . 354 56 56 VAL HA H 3.92 0.02 . 355 56 56 VAL HB H 2.04 0.02 . 356 56 56 VAL HG1 H 0.83 0.02 . 357 56 56 VAL HG2 H 0.86 0.02 . 358 56 56 VAL C C 173.38 0.40 . 359 56 56 VAL CA C 63.01 0.40 . 360 56 56 VAL CB C 32.09 0.40 . 361 56 56 VAL CG1 C 20.97 0.40 . 362 56 56 VAL CG2 C 21.40 0.40 . 363 56 56 VAL N N 120.44 0.10 . 364 57 57 MET H H 8.12 0.02 . 365 57 57 MET HA H 4.56 0.02 . 366 57 57 MET HB2 H 1.95 0.02 . 367 57 57 MET HB3 H 1.95 0.02 . 368 57 57 MET HE H 2.10 0.02 . 369 57 57 MET HG2 H 2.28 0.02 . 370 57 57 MET HG3 H 2.28 0.02 . 371 57 57 MET C C 174.39 0.40 . 372 57 57 MET CA C 55.51 0.40 . 373 57 57 MET CB C 34.90 0.40 . 374 57 57 MET CE C 16.95 0.40 . 375 57 57 MET CG C 32.39 0.40 . 376 57 57 MET N N 124.86 0.10 . 377 58 58 GLU H H 8.98 0.02 . 378 58 58 GLU HA H 4.71 0.02 . 379 58 58 GLU HB2 H 1.90 0.02 . 380 58 58 GLU HB3 H 2.32 0.02 . 381 58 58 GLU HG2 H 2.24 0.02 . 382 58 58 GLU HG3 H 2.24 0.02 . 383 58 58 GLU C C 173.80 0.40 . 384 58 58 GLU CA C 54.11 0.40 . 385 58 58 GLU CB C 32.86 0.40 . 386 58 58 GLU CG C 36.14 0.40 . 387 58 58 GLU N N 120.95 0.10 . 388 59 59 ASP H H 8.91 0.02 . 389 59 59 ASP HA H 4.08 0.02 . 390 59 59 ASP HB2 H 2.60 0.02 . 391 59 59 ASP HB3 H 2.65 0.02 . 392 59 59 ASP C C 176.40 0.40 . 393 59 59 ASP CA C 59.26 0.40 . 394 59 59 ASP CB C 42.40 0.40 . 395 59 59 ASP N N 123.12 0.10 . 396 60 60 GLN H H 8.79 0.02 . 397 60 60 GLN HA H 3.92 0.02 . 398 60 60 GLN HB2 H 2.24 0.02 . 399 60 60 GLN HB3 H 1.93 0.02 . 400 60 60 GLN HG2 H 2.43 0.02 . 401 60 60 GLN HG3 H 2.43 0.02 . 402 60 60 GLN C C 177.87 0.40 . 403 60 60 GLN CA C 58.33 0.40 . 404 60 60 GLN CB C 27.40 0.40 . 405 60 60 GLN CG C 32.65 0.40 . 406 60 60 GLN N N 114.87 0.10 . 407 61 61 ASP H H 7.22 0.02 . 408 61 61 ASP HA H 4.43 0.02 . 409 61 61 ASP HB2 H 2.96 0.02 . 410 61 61 ASP HB3 H 2.78 0.02 . 411 61 61 ASP C C 176.78 0.40 . 412 61 61 ASP CA C 57.39 0.40 . 413 61 61 ASP CB C 41.46 0.40 . 414 61 61 ASP N N 117.47 0.10 . 415 62 62 LEU H H 7.05 0.02 . 416 62 62 LEU HA H 4.13 0.02 . 417 62 62 LEU HB2 H 1.96 0.02 . 418 62 62 LEU HB3 H 1.16 0.02 . 419 62 62 LEU HD1 H 0.83 0.02 . 420 62 62 LEU HD2 H 0.67 0.02 . 421 62 62 LEU HG H 1.66 0.02 . 422 62 62 LEU C C 177.81 0.40 . 423 62 62 LEU CA C 55.51 0.40 . 424 62 62 LEU CB C 41.31 0.40 . 425 62 62 LEU CD1 C 27.68 0.40 . 426 62 62 LEU CD2 C 22.21 0.40 . 427 62 62 LEU CG C 27.40 0.40 . 428 62 62 LEU N N 115.74 0.10 . 429 63 63 LEU H H 7.75 0.02 . 430 63 63 LEU HA H 4.02 0.02 . 431 63 63 LEU HB2 H 1.82 0.02 . 432 63 63 LEU HB3 H 1.31 0.02 . 433 63 63 LEU HG H 1.45 0.02 . 434 63 63 LEU C C 177.37 0.40 . 435 63 63 LEU CA C 58.33 0.40 . 436 63 63 LEU CB C 42.06 0.40 . 437 63 63 LEU CD1 C 24.95 0.40 . 438 63 63 LEU CD2 C 24.89 0.40 . 439 63 63 LEU CG C 27.44 0.40 . 440 63 63 LEU N N 122.82 0.10 . 441 64 64 GLU H H 8.04 0.02 . 442 64 64 GLU HA H 4.02 0.02 . 443 64 64 GLU HB2 H 2.18 0.02 . 444 64 64 GLU HB3 H 2.21 0.02 . 445 64 64 GLU HG2 H 2.41 0.02 . 446 64 64 GLU HG3 H 2.52 0.02 . 447 64 64 GLU C C 180.44 0.40 . 448 64 64 GLU CA C 58.33 0.40 . 449 64 64 GLU CB C 29.28 0.40 . 450 64 64 GLU CG C 37.07 0.40 . 451 64 64 GLU N N 119.09 0.10 . 452 65 65 ILE H H 6.92 0.02 . 453 65 65 ILE HA H 4.53 0.02 . 454 65 65 ILE HB H 2.44 0.02 . 455 65 65 ILE HD1 H 0.88 0.02 . 456 65 65 ILE HG12 H 1.68 0.02 . 457 65 65 ILE HG13 H 1.47 0.02 . 458 65 65 ILE HG2 H 1.05 0.02 . 459 65 65 ILE C C 177.67 0.40 . 460 65 65 ILE CA C 61.14 0.40 . 461 65 65 ILE CB C 37.08 0.40 . 462 65 65 ILE CD1 C 14.48 0.40 . 463 65 65 ILE CG1 C 26.76 0.40 . 464 65 65 ILE CG2 C 17.98 0.40 . 465 65 65 ILE N N 109.66 0.10 . 466 66 66 GLY H H 7.65 0.02 . 467 66 66 GLY HA2 H 4.06 0.02 . 468 66 66 GLY HA3 H 3.64 0.02 . 469 66 66 GLY C C 175.09 0.40 . 470 66 66 GLY CA C 45.20 0.40 . 471 66 66 GLY N N 106.18 0.10 . 472 67 67 ILE H H 7.71 0.02 . 473 67 67 ILE HA H 3.87 0.02 . 474 67 67 ILE HB H 1.46 0.02 . 475 67 67 ILE HD1 H 0.29 0.02 . 476 67 67 ILE HG12 H 1.20 0.02 . 477 67 67 ILE HG13 H 0.24 0.02 . 478 67 67 ILE HG2 H 0.17 0.02 . 479 67 67 ILE C C 173.76 0.40 . 480 67 67 ILE CB C 33.96 0.40 . 481 67 67 ILE CD1 C 13.51 0.40 . 482 67 67 ILE CG1 C 26.19 0.40 . 483 67 67 ILE CG2 C 16.45 0.40 . 484 67 67 ILE N N 121.38 0.10 . 485 68 68 LEU H H 7.40 0.02 . 486 68 68 LEU HA H 3.86 0.02 . 487 68 68 LEU HB2 H 1.59 0.02 . 488 68 68 LEU HB3 H 1.66 0.02 . 489 68 68 LEU HD1 H 0.95 0.02 . 490 68 68 LEU HD2 H 0.79 0.02 . 491 68 68 LEU HG H 0.82 0.02 . 492 68 68 LEU C C 173.88 0.40 . 493 68 68 LEU CA C 56.45 0.40 . 494 68 68 LEU CB C 41.46 0.40 . 495 68 68 LEU CD1 C 25.16 0.40 . 496 68 68 LEU CD2 C 22.23 0.40 . 497 68 68 LEU CG C 27.44 0.40 . 498 68 68 LEU N N 126.59 0.10 . 499 70 70 SER HA H 4.16 0.02 . 500 70 70 SER HB2 H 3.97 0.02 . 501 70 70 SER HB3 H 3.79 0.02 . 502 70 70 SER CA C 61.14 0.40 . 503 70 70 SER CB C 62.09 0.40 . 504 71 71 GLY H H 8.07 0.02 . 505 71 71 GLY HA2 H 3.94 0.02 . 506 71 71 GLY HA3 H 3.62 0.02 . 507 71 71 GLY C C 176.06 0.40 . 508 71 71 GLY CA C 47.27 0.40 . 509 71 71 GLY N N 111.97 0.10 . 510 72 72 HIS H H 7.81 0.02 . 511 72 72 HIS HB2 H 3.21 0.02 . 512 72 72 HIS HB3 H 2.87 0.02 . 513 72 72 HIS HD2 H 7.12 0.02 . 514 72 72 HIS HE1 H 7.82 0.02 . 515 72 72 HIS C C 176.45 0.40 . 516 72 72 HIS CA C 57.39 0.40 . 517 72 72 HIS CB C 30.21 0.40 . 518 72 72 HIS CD2 C 118.80 0.40 . 519 72 72 HIS CE1 C 138.67 0.40 . 520 72 72 HIS N N 122.25 0.10 . 521 73 73 ARG H H 7.91 0.02 . 522 73 73 ARG HA H 3.67 0.02 . 523 73 73 ARG HB2 H 2.15 0.02 . 524 73 73 ARG HB3 H 2.15 0.02 . 525 73 73 ARG HD2 H 3.45 0.02 . 526 73 73 ARG HD3 H 3.26 0.02 . 527 73 73 ARG HG2 H 1.67 0.02 . 528 73 73 ARG HG3 H 0.90 0.02 . 529 73 73 ARG C C 176.97 0.40 . 530 73 73 ARG CA C 61.14 0.40 . 531 73 73 ARG CB C 30.21 0.40 . 532 73 73 ARG CD C 45.51 0.40 . 533 73 73 ARG CG C 26.76 0.40 . 534 73 73 ARG N N 117.47 0.10 . 535 74 74 GLN H H 7.84 0.02 . 536 74 74 GLN HA H 3.95 0.02 . 537 74 74 GLN HB2 H 1.94 0.02 . 538 74 74 GLN HB3 H 2.22 0.02 . 539 74 74 GLN HG2 H 2.52 0.02 . 540 74 74 GLN HG3 H 2.42 0.02 . 541 74 74 GLN C C 177.20 0.40 . 542 74 74 GLN CA C 59.26 0.40 . 543 74 74 GLN CB C 28.34 0.40 . 544 74 74 GLN CG C 34.26 0.40 . 545 74 74 GLN N N 116.61 0.10 . 546 75 75 ARG H H 7.75 0.02 . 547 75 75 ARG HA H 3.99 0.02 . 548 75 75 ARG HB2 H 1.95 0.02 . 549 75 75 ARG HD2 H 3.32 0.02 . 550 75 75 ARG HD3 H 3.11 0.02 . 551 75 75 ARG HG2 H 1.78 0.02 . 552 75 75 ARG C C 177.84 0.40 . 553 75 75 ARG CA C 59.26 0.40 . 554 75 75 ARG CB C 31.15 0.40 . 555 75 75 ARG CG C 26.76 0.40 . 556 75 75 ARG N N 119.21 0.10 . 557 76 76 ILE H H 7.89 0.02 . 558 76 76 ILE HA H 4.46 0.02 . 559 76 76 ILE HB H 1.75 0.02 . 560 76 76 ILE HD1 H 0.56 0.02 . 561 76 76 ILE HG12 H 1.76 0.02 . 562 76 76 ILE HG13 H 1.76 0.02 . 563 76 76 ILE HG2 H 0.91 0.02 . 564 76 76 ILE C C 179.05 0.40 . 565 76 76 ILE CA C 65.83 0.40 . 566 76 76 ILE CB C 37.58 0.40 . 567 76 76 ILE CD1 C 13.84 0.40 . 568 76 76 ILE CG1 C 30.43 0.40 . 569 76 76 ILE CG2 C 17.46 0.40 . 570 76 76 ILE N N 120.95 0.10 . 571 77 77 LEU H H 8.29 0.02 . 572 77 77 LEU HA H 3.97 0.02 . 573 77 77 LEU HB2 H 1.83 0.02 . 574 77 77 LEU HB3 H 1.54 0.02 . 575 77 77 LEU HD1 H 0.87 0.02 . 576 77 77 LEU HD2 H 0.69 0.02 . 577 77 77 LEU HG H 1.75 0.02 . 578 77 77 LEU C C 176.48 0.40 . 579 77 77 LEU CA C 58.32 0.40 . 580 77 77 LEU CB C 40.81 0.40 . 581 77 77 LEU CD1 C 24.89 0.40 . 582 77 77 LEU CD2 C 23.20 0.40 . 583 77 77 LEU CG C 26.62 0.40 . 584 77 77 LEU N N 119.48 0.10 . 585 78 78 GLN H H 8.30 0.02 . 586 78 78 GLN HA H 4.51 0.02 . 587 78 78 GLN HB2 H 2.09 0.02 . 588 78 78 GLN HB3 H 2.40 0.02 . 589 78 78 GLN HG2 H 2.56 0.02 . 590 78 78 GLN HG3 H 2.41 0.02 . 591 78 78 GLN C C 179.61 0.40 . 592 78 78 GLN CA C 58.33 0.40 . 593 78 78 GLN CB C 28.34 0.40 . 594 78 78 GLN CG C 34.26 0.40 . 595 78 78 GLN N N 118.12 0.10 . 596 79 79 ALA H H 7.70 0.02 . 597 79 79 ALA HA H 4.27 0.02 . 598 79 79 ALA HB H 1.69 0.02 . 599 79 79 ALA C C 177.84 0.40 . 600 79 79 ALA CA C 54.73 0.40 . 601 79 79 ALA CB C 18.96 0.40 . 602 79 79 ALA N N 121.82 0.10 . 603 80 80 ILE H H 8.66 0.02 . 604 80 80 ILE HA H 3.78 0.02 . 605 80 80 ILE HB H 2.10 0.02 . 606 80 80 ILE HD1 H 0.85 0.02 . 607 80 80 ILE HG12 H 2.23 0.02 . 608 80 80 ILE HG13 H 1.01 0.02 . 609 80 80 ILE HG2 H 0.94 0.02 . 610 80 80 ILE C C 181.27 0.40 . 611 80 80 ILE CA C 64.89 0.40 . 612 80 80 ILE CB C 37.71 0.40 . 613 80 80 ILE CD1 C 14.48 0.40 . 614 80 80 ILE CG1 C 30.51 0.40 . 615 80 80 ILE CG2 C 17.75 0.40 . 616 80 80 ILE N N 121.82 0.10 . 617 81 81 GLN H H 7.50 0.02 . 618 81 81 GLN HA H 4.11 0.02 . 619 81 81 GLN HB2 H 2.25 0.02 . 620 81 81 GLN HB3 H 2.28 0.02 . 621 81 81 GLN HG2 H 2.58 0.02 . 622 81 81 GLN HG3 H 2.62 0.02 . 623 81 81 GLN C C 177.90 0.40 . 624 81 81 GLN CA C 57.39 0.40 . 625 81 81 GLN CB C 28.34 0.40 . 626 81 81 GLN CG C 33.32 0.40 . 627 81 81 GLN N N 117.71 0.10 . 628 82 82 LEU H H 7.21 0.02 . 629 82 82 LEU HA H 4.38 0.02 . 630 82 82 LEU HB2 H 1.82 0.02 . 631 82 82 LEU HB3 H 1.81 0.02 . 632 82 82 LEU HD2 H 0.89 0.02 . 633 82 82 LEU C C 176.05 0.40 . 634 82 82 LEU CA C 54.58 0.40 . 635 82 82 LEU CB C 42.40 0.40 . 636 82 82 LEU CD1 C 25.73 0.40 . 637 82 82 LEU CD2 C 22.51 0.40 . 638 82 82 LEU CG C 26.30 0.40 . 639 82 82 LEU N N 116.61 0.10 . 640 83 83 LEU H H 7.31 0.02 . 641 83 83 LEU HA H 4.39 0.02 . 642 83 83 LEU HB2 H 1.84 0.02 . 643 83 83 LEU HB3 H 1.39 0.02 . 644 83 83 LEU HD1 H 0.52 0.02 . 645 83 83 LEU HD2 H 0.59 0.02 . 646 83 83 LEU C C 177.23 0.40 . 647 83 83 LEU CA C 53.64 0.40 . 648 83 83 LEU CB C 40.53 0.40 . 649 83 83 LEU CD1 C 26.30 0.40 . 650 83 83 LEU CD2 C 22.46 0.40 . 651 83 83 LEU N N 122.25 0.10 . stop_ save_