data_7279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments of the human non-chromitin architectural transcription factor HMGA1 ; _BMRB_accession_number 7279 _BMRB_flat_file_name bmr7279.str _Entry_type original _Submission_date 2006-08-29 _Accession_date 2006-08-29 _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 Buchko Garry W. . 2 Ni Shuisong . . 3 Reeves Raymond . . 4 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 219 "13C chemical shifts" 344 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2006-09-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR resonance assignments of the human high mobility group protein HMGA1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17206468 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Ni Shuisong . . 3 Lourette Natacha M. . 4 Reeves Raymond . . 5 Kennedy Michael A. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 185 _Page_last 185 _Year 2007 _Details . loop_ _Keyword 'DNA-binding protein' enhanceosomes stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HMGA1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HMGA1 $HMGA1 stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'chromatin associated' DNA-binding stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HMGA1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HMGA1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'DNA binding' 'High Mobility Group Protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; MSESSSKSSQPLASKQEKDG TEKRGRGRPRKQPPVSPGTA LVGSQKEPSEVPTPKRPRGR PKGSKNKGAAKTRKTTTTPG RKPRGRPKKLEKEEEEGISQ ESSEEEQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 SER 5 SER 6 SER 7 LYS 8 SER 9 SER 10 GLN 11 PRO 12 LEU 13 ALA 14 SER 15 LYS 16 GLN 17 GLU 18 LYS 19 ASP 20 GLY 21 THR 22 GLU 23 LYS 24 ARG 25 GLY 26 ARG 27 GLY 28 ARG 29 PRO 30 ARG 31 LYS 32 GLN 33 PRO 34 PRO 35 VAL 36 SER 37 PRO 38 GLY 39 THR 40 ALA 41 LEU 42 VAL 43 GLY 44 SER 45 GLN 46 LYS 47 GLU 48 PRO 49 SER 50 GLU 51 VAL 52 PRO 53 THR 54 PRO 55 LYS 56 ARG 57 PRO 58 ARG 59 GLY 60 ARG 61 PRO 62 LYS 63 GLY 64 SER 65 LYS 66 ASN 67 LYS 68 GLY 69 ALA 70 ALA 71 LYS 72 THR 73 ARG 74 LYS 75 THR 76 THR 77 THR 78 THR 79 PRO 80 GLY 81 ARG 82 LYS 83 PRO 84 ARG 85 GLY 86 ARG 87 PRO 88 LYS 89 LYS 90 LEU 91 GLU 92 LYS 93 GLU 94 GLU 95 GLU 96 GLU 97 GLY 98 ILE 99 SER 100 GLN 101 GLU 102 SER 103 SER 104 GLU 105 GLU 106 GLU 107 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 DBJ BAE32952 "unnamed protein product [Mus musculus]" 100.00 107 97.20 97.20 6.93e-60 DBJ BAE42398 "unnamed protein product [Mus musculus]" 100.00 107 97.20 97.20 6.93e-60 DBJ BAE91504 "unnamed protein product [Macaca fascicularis]" 100.00 107 100.00 100.00 6.05e-62 DBJ BAG62962 "unnamed protein product [Homo sapiens]" 63.55 328 97.06 97.06 2.73e-32 DBJ BAJ20344 "high mobility group AT-hook 1 [synthetic construct]" 100.00 107 100.00 100.00 6.05e-62 EMBL CAA33080 "unnamed protein product [Homo sapiens]" 100.00 107 100.00 100.00 6.05e-62 GB AAA35998 "high-mobility-group protein isoform I [Homo sapiens]" 100.00 107 100.00 100.00 6.05e-62 GB AAA88072 "high mobility group protein [Homo sapiens]" 100.00 107 100.00 100.00 6.05e-62 GB AAB00145 "high mobility group protein [Homo sapiens]" 100.00 107 100.00 100.00 6.05e-62 GB AAD53889 "high mobility group protein-R [Homo sapiens]" 59.81 179 100.00 100.00 3.29e-27 GB AAF06666 "high mobility group-I protein [Cricetulus griseus]" 100.00 107 98.13 98.13 1.14e-60 REF NP_001003387 "high mobility group protein HMG-I/HMG-Y [Canis lupus familiaris]" 100.00 107 100.00 100.00 6.05e-62 REF NP_001020598 "high mobility group protein HMG-I/HMG-Y isoform a [Mus musculus]" 100.00 107 97.20 97.20 6.93e-60 REF NP_001034445 "high mobility group protein HMG-I/HMG-Y isoform a [Mus musculus]" 100.00 107 97.20 97.20 6.93e-60 REF NP_001159948 "high mobility group protein HMG-I/HMG-Y isoform 1 [Mus musculus]" 100.00 107 97.20 97.20 6.93e-60 REF NP_001160007 "high mobility group protein HMG-I/HMG-Y isoform a [Mus musculus]" 100.00 107 97.20 97.20 6.93e-60 SP P17095 "RecName: Full=High mobility group protein HMG-I/HMG-Y; Short=HMG-I(Y); AltName: Full=High mobility group AT-hook protein 1; Sho" 100.00 107 97.20 97.20 6.93e-60 SP P17096 "RecName: Full=High mobility group protein HMG-I/HMG-Y; Short=HMG-I(Y); AltName: Full=High mobility group AT-hook protein 1; Sho" 100.00 107 100.00 100.00 6.05e-62 SP Q6URC2 "RecName: Full=High mobility group protein HMG-I/HMG-Y; Short=HMG-I(Y); AltName: Full=High mobility group AT-hook protein 1; Sho" 100.00 107 100.00 100.00 6.05e-62 SP Q9QXP3 "RecName: Full=High mobility group protein HMG-I/HMG-Y; Short=HMG-I(Y); AltName: Full=High mobility group AT-hook protein 1; Sho" 100.00 107 98.13 98.13 1.14e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HMGA1 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 _Vendor_name $HMGA1 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)pLysS plasmid pET-24 Novagen stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20 mM potassium phosphate, 1 mM EDTA, pH 6.0 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HMGA1 2 mM 0.18 0.22 '[U-15N; U-13C]' 'potassium phosphate' 20 mM . . . EDTA 1 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 900 _Details . save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _Sample_label . save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label . save_ save_3D_HNCOCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label . save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNN_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label . save_ save_3D_CCC-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCC-TOCSY' _Sample_label . save_ save_3D_15N-edited_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; 20 mM potassium phosphate, 1 mM EDTA, pH 6.0 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . 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 internal direct . . . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name HMGA1 _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 2 2 SER H H 8.49 0.02 1 2 2 2 SER C C 174.6 0.2 1 3 2 2 SER N N 116.8 0.2 1 4 3 3 GLU H H 8.40 0.02 1 5 3 3 GLU C C 176.5 0.2 1 6 3 3 GLU CA C 56.7 0.2 1 7 3 3 GLU CB C 30.4 0.2 1 8 3 3 GLU CG C 36.3 0.2 1 9 3 3 GLU N N 122.7 0.2 1 10 4 4 SER H H 8.49 0.02 1 11 4 4 SER HA H 4.31 0.02 1 12 4 4 SER C C 174.9 0.2 1 13 4 4 SER CA C 58.5 0.2 1 14 4 4 SER CB C 64.1 0.2 1 15 4 4 SER N N 117.1 0.2 1 16 5 5 SER H H 8.29 0.02 1 17 5 5 SER C C 174.7 0.2 1 18 5 5 SER CA C 58.2 0.2 1 19 5 5 SER CB C 63.8 0.2 1 20 5 5 SER N N 117.8 0.2 1 21 6 6 SER H H 8.34 0.02 1 22 6 6 SER CA C 58.2 0.2 1 23 6 6 SER CB C 63.8 0.2 1 24 6 6 SER N N 117.9 0.2 1 25 7 7 LYS H H 8.25 0.02 1 26 7 7 LYS C C 176.7 0.2 1 27 7 7 LYS CA C 56.6 0.2 1 28 7 7 LYS CB C 33.0 0.2 1 29 7 7 LYS CG C 24.8 0.2 1 30 7 7 LYS N N 123.2 0.2 1 31 8 8 SER H H 8.23 0.02 1 32 8 8 SER C C 174.6 0.2 1 33 8 8 SER CA C 58.5 0.2 1 34 8 8 SER CB C 64.1 0.2 1 35 8 8 SER N N 116.5 0.2 1 36 9 9 SER H H 8.28 0.02 1 37 9 9 SER C C 174.9 0.2 1 38 9 9 SER CA C 58.5 0.2 1 39 9 9 SER CB C 64.1 0.2 1 40 9 9 SER N N 117.9 0.2 1 41 10 10 GLN H H 8.23 0.02 1 42 10 10 GLN HA H 4.46 0.02 1 43 10 10 GLN CA C 53.5 0.2 1 44 10 10 GLN CB C 28.8 0.2 1 45 10 10 GLN N N 122.9 0.2 1 46 11 11 PRO CA C 63.2 0.2 1 47 11 11 PRO CB C 31.9 0.2 1 48 11 11 PRO CG C 27.6 0.2 1 49 11 11 PRO CD C 50.7 0.2 1 50 12 12 LEU H H 8.29 0.02 1 51 12 12 LEU C C 177.4 0.2 1 52 12 12 LEU CA C 55.4 0.2 1 53 12 12 LEU CB C 42.2 0.2 1 54 12 12 LEU CG C 26.9 0.2 1 55 12 12 LEU CD1 C 24.7 0.2 2 56 12 12 LEU CD2 C 23.8 0.2 2 57 12 12 LEU N N 122.5 0.2 1 58 13 13 ALA H H 8.24 0.02 1 59 13 13 ALA HA H 4.26 0.02 1 60 13 13 ALA HB H 1.36 0.02 1 61 13 13 ALA C C 177.7 0.2 1 62 13 13 ALA CA C 52.7 0.2 1 63 13 13 ALA CB C 19.3 0.2 1 64 13 13 ALA N N 124.9 0.2 1 65 14 14 SER H H 8.17 0.02 1 66 14 14 SER HB2 H 3.85 0.02 1 67 14 14 SER HB3 H 3.85 0.02 1 68 14 14 SER C C 174.6 0.2 1 69 14 14 SER CA C 58.5 0.2 1 70 14 14 SER CB C 64.1 0.2 1 71 14 14 SER N N 115.1 0.2 1 72 15 15 LYS H H 8.27 0.02 1 73 15 15 LYS C C 176.5 0.2 1 74 15 15 LYS CA C 56.6 0.2 1 75 15 15 LYS CB C 32.9 0.2 1 76 15 15 LYS CG C 24.7 0.2 1 77 15 15 LYS N N 123.2 0.2 1 78 16 16 GLN H H 8.32 0.02 1 79 16 16 GLN HA H 4.29 0.02 1 80 16 16 GLN CA C 56.3 0.2 1 81 16 16 GLN CB C 29.4 0.2 1 82 16 16 GLN CG C 33.8 0.2 1 83 16 16 GLN N N 121.4 0.2 1 84 17 17 GLU H H 8.40 0.02 1 85 17 17 GLU HA H 4.31 0.02 1 86 17 17 GLU CA C 56.6 0.2 1 87 17 17 GLU CB C 30.4 0.2 1 88 17 17 GLU CG C 36.3 0.2 1 89 17 17 GLU N N 122.6 0.2 1 90 18 18 LYS H H 8.43 0.02 1 91 18 18 LYS CA C 56.6 0.2 1 92 18 18 LYS CB C 33.2 0.2 1 93 18 18 LYS CG C 24.7 0.2 1 94 18 18 LYS N N 121.9 0.2 1 95 19 19 ASP H H 8.35 0.02 1 96 19 19 ASP HB2 H 2.66 0.02 1 97 19 19 ASP HB3 H 2.66 0.02 1 98 19 19 ASP C C 176.9 0.2 1 99 19 19 ASP CA C 56.6 0.2 1 100 19 19 ASP CB C 41.3 0.2 1 101 19 19 ASP N N 121.2 0.2 1 102 20 20 GLY H H 8.39 0.02 1 103 20 20 GLY HA2 H 3.98 0.02 1 104 20 20 GLY HA3 H 3.98 0.02 1 105 20 20 GLY C C 175.0 0.2 1 106 20 20 GLY CA C 45.7 0.2 1 107 20 20 GLY N N 109.7 0.2 1 108 21 21 THR H H 8.11 0.02 1 109 21 21 THR HB H 4.21 0.02 1 110 21 21 THR HG2 H 1.19 0.02 1 111 21 21 THR C C 175.1 0.2 1 112 21 21 THR CA C 64.4 0.2 1 113 21 21 THR CB C 69.7 0.2 1 114 21 21 THR CG2 C 21.6 0.2 1 115 21 21 THR N N 113.7 0.2 1 116 22 22 GLU H H 8.51 0.02 1 117 22 22 GLU HA H 4.20 0.02 1 118 22 22 GLU HB2 H 1.94 0.02 1 119 22 22 GLU HB3 H 1.94 0.02 1 120 22 22 GLU C C 176.7 0.2 1 121 22 22 GLU CA C 57.2 0.2 1 122 22 22 GLU CB C 30.1 0.2 1 123 22 22 GLU CG C 36.3 0.2 1 124 22 22 GLU N N 123.1 0.2 1 125 23 23 LYS H H 8.22 0.02 1 126 23 23 LYS HA H 4.24 0.02 1 127 23 23 LYS C C 176.7 0.2 1 128 23 23 LYS CA C 56.7 0.2 1 129 23 23 LYS CB C 32.8 0.2 1 130 23 23 LYS CG C 24.9 0.2 1 131 23 23 LYS N N 122.3 0.2 1 132 24 24 ARG H H 8.25 0.02 1 133 24 24 ARG CA C 56.6 0.2 1 134 24 24 ARG CB C 30.7 0.2 1 135 24 24 ARG CG C 27.2 0.2 1 136 24 24 ARG CD C 43.5 0.2 1 137 24 24 ARG N N 121.5 0.2 1 138 25 25 GLY H H 8.39 0.02 1 139 25 25 GLY C C 174.2 0.2 1 140 25 25 GLY CA C 45.4 0.2 1 141 25 25 GLY N N 109.9 0.2 1 142 26 26 ARG H H 8.21 0.02 1 143 26 26 ARG C C 176.9 0.2 1 144 26 26 ARG CA C 56.4 0.2 1 145 26 26 ARG CB C 30.9 0.2 1 146 26 26 ARG CG C 27.4 0.2 1 147 26 26 ARG CD C 43.8 0.2 1 148 26 26 ARG N N 120.6 0.2 1 149 27 27 GLY H H 8.45 0.02 1 150 27 27 GLY HA2 H 3.92 0.02 1 151 27 27 GLY HA3 H 3.92 0.02 1 152 27 27 GLY C C 173.7 0.2 1 153 27 27 GLY CA C 45.1 0.2 1 154 27 27 GLY N N 109.9 0.2 1 155 28 28 ARG H H 8.16 0.02 1 156 28 28 ARG CA C 53.8 0.2 1 157 28 28 ARG CB C 29.8 0.2 1 158 28 28 ARG N N 121.7 0.2 1 159 29 29 PRO C C 176.7 0.2 1 160 29 29 PRO CA C 63.5 0.2 1 161 29 29 PRO CB C 31.9 0.2 1 162 29 29 PRO CG C 27.6 0.2 1 163 29 29 PRO CD C 50.7 0.2 1 164 30 30 ARG H H 8.44 0.2 1 165 30 30 ARG HA H 4.37 0.2 1 166 30 30 ARG C C 176.2 0.2 1 167 30 30 ARG CA C 56.3 0.2 1 168 30 30 ARG CB C 31.0 0.2 1 169 30 30 ARG CG C 27.2 0.2 1 170 30 30 ARG CD C 43.5 0.2 1 171 30 30 ARG N N 122.0 0.2 1 172 31 31 LYS H H 8.36 0.02 1 173 31 31 LYS HA H 4.26 0.02 1 174 31 31 LYS HB2 H 1.72 0.02 1 175 31 31 LYS HB3 H 1.72 0.02 1 176 31 31 LYS CA C 56.3 0.2 1 177 31 31 LYS CB C 33.2 0.2 1 178 31 31 LYS CG C 24.7 0.2 1 179 31 31 LYS N N 123.2 0.2 1 180 32 32 GLN H H 8.28 0.02 1 181 32 32 GLN N N 122.5 0.2 1 182 34 34 PRO HA H 4.42 0.02 1 183 34 34 PRO C C 176.7 0.2 1 184 34 34 PRO CA C 62.9 0.2 1 185 34 34 PRO CB C 32.1 0.2 1 186 34 34 PRO CG C 27.5 0.2 1 187 35 35 VAL H H 8.12 0.02 1 188 35 35 VAL HA H 4.07 0.02 1 189 35 35 VAL HG1 H 0.88 0.02 2 190 35 35 VAL HG2 H 0.88 0.02 2 191 35 35 VAL C C 176.0 0.2 1 192 35 35 VAL CA C 62.3 0.2 1 193 35 35 VAL CB C 32.9 0.2 1 194 35 35 VAL CG1 C 20.7 0.2 1 195 35 35 VAL CG2 C 20.7 0.2 1 196 35 35 VAL N N 120.1 0.2 1 197 36 36 SER H H 8.39 0.02 1 198 36 36 SER HA H 4.07 0.02 1 199 36 36 SER HB2 H 3.81 0.02 1 200 36 36 SER HB3 H 3.81 0.02 1 201 36 36 SER CA C 56.0 0.2 1 202 36 36 SER CB C 63.2 0.2 1 203 36 36 SER N N 121.1 0.2 1 204 37 37 PRO C C 177.5 0.2 1 205 37 37 PRO CA C 64.1 0.2 1 206 37 37 PRO CB C 32.2 0.2 1 207 37 37 PRO CG C 27.6 0.2 1 208 37 37 PRO CD C 50.9 0.2 1 209 38 38 GLY H H 8.40 0.02 1 210 38 38 GLY HA2 H 3.94 0.02 1 211 38 38 GLY HA3 H 3.94 0.02 1 212 38 38 GLY C C 174.5 0.2 1 213 38 38 GLY CA C 45.4 0.2 1 214 38 38 GLY N N 108.9 0.2 1 215 39 39 THR H H 7.89 0.02 1 216 39 39 THR HB H 4.17 0.02 1 217 39 39 THR HG2 H 1.19 0.02 1 218 39 39 THR C C 174.2 0.2 1 219 39 39 THR CA C 64.4 0.2 1 220 39 39 THR CB C 70.1 0.2 1 221 39 39 THR CG2 C 21.6 0.2 1 222 39 39 THR N N 113.9 0.2 1 223 40 40 ALA H H 8.23 0.02 1 224 40 40 ALA HA H 4.26 0.02 1 225 40 40 ALA HB H 1.34 0.02 1 226 40 40 ALA C C 177.4 0.2 1 227 40 40 ALA CA C 52.6 0.2 1 228 40 40 ALA CB C 19.1 0.2 1 229 40 40 ALA N N 126.6 0.2 1 230 41 41 LEU H H 8.17 0.02 1 231 41 41 LEU HA H 4.31 0.02 1 232 41 41 LEU HB2 H 1.61 0.02 4 233 41 41 LEU HB3 H 1.61 0.02 4 234 41 41 LEU HG H 1.61 0.02 4 235 41 41 LEU C C 177.4 0.2 1 236 41 41 LEU CA C 55.4 0.2 1 237 41 41 LEU CB C 42.2 0.2 1 238 41 41 LEU CG C 26.9 0.2 1 239 41 41 LEU CD1 C 25.1 0.2 1 240 41 41 LEU CD2 C 23.5 0.2 1 241 41 41 LEU N N 121.8 0.2 1 242 42 42 VAL H H 8.05 0.02 1 243 42 42 VAL HA H 4.31 0.02 1 244 42 42 VAL HB H 2.05 0.02 1 245 42 42 VAL HG1 H 0.90 0.02 2 246 42 42 VAL HG2 H 0.90 0.02 2 247 42 42 VAL C C 176.6 0.2 1 248 42 42 VAL CA C 62.8 0.2 1 249 42 42 VAL CB C 32.9 0.2 1 250 42 42 VAL CG1 C 20.9 0.2 1 251 42 42 VAL CG2 C 20.9 0.2 1 252 42 42 VAL N N 121.3 0.2 1 253 43 43 GLY H H 8.45 0.02 1 254 43 43 GLY HA2 H 3.94 0.02 1 255 43 43 GLY HA3 H 3.94 0.02 1 256 43 43 GLY C C 174.2 0.2 1 257 43 43 GLY CA C 45.5 0.2 1 258 43 43 GLY N N 112.8 0.2 1 259 44 44 SER H H 8.17 0.02 1 260 44 44 SER CA C 58.8 0.2 1 261 44 44 SER CB C 64.1 0.2 1 262 44 44 SER N N 115.6 0.2 1 263 45 45 GLN H H 8.37 0.02 1 264 45 45 GLN C C 175.6 0.2 1 265 45 45 GLN CA C 56.0 0.2 1 266 45 45 GLN CB C 29.4 0.2 1 267 45 45 GLN CG C 34.1 0.2 1 268 45 45 GLN N N 122.1 0.2 1 269 46 46 LYS H H 8.25 0.02 1 270 46 46 LYS HA H 4.31 0.02 1 271 46 46 LYS C C 176.2 0.2 1 272 46 46 LYS CA C 56.3 0.2 1 273 46 46 LYS CB C 33.2 0.2 1 274 46 46 LYS CG C 28.8 0.2 1 275 46 46 LYS CD C 24.4 0.2 1 276 46 46 LYS N N 122.7 0.2 1 277 47 47 GLU CA C 56.0 0.2 1 278 47 47 GLU CB C 32.9 0.2 1 279 48 48 PRO C C 176.9 0.2 1 280 48 48 PRO CA C 63.6 0.2 1 281 48 48 PRO CB C 32.0 0.2 1 282 48 48 PRO CG C 27.6 0.2 1 283 49 49 SER H H 8.30 0.02 1 284 49 49 SER HA H 4.39 0.02 1 285 49 49 SER HB2 H 3.81 0.02 1 286 49 49 SER HB3 H 3.81 0.02 1 287 49 49 SER C C 174.4 0.2 1 288 49 49 SER CA C 58.5 0.2 1 289 49 49 SER CB C 64.1 0.2 1 290 49 49 SER N N 115.7 0.2 1 291 50 50 GLU H H 8.30 0.02 1 292 50 50 GLU HA H 4.39 0.02 1 293 50 50 GLU C C 176.1 0.2 1 294 50 50 GLU CA C 56.3 0.2 1 295 50 50 GLU CB C 30.4 0.2 1 296 50 50 GLU CG C 36.3 0.2 1 297 50 50 GLU N N 122.7 0.2 1 298 51 51 VAL H H 8.17 0.02 1 299 51 51 VAL HA H 4.31 0.02 1 300 51 51 VAL HB H 2.03 0.02 1 301 51 51 VAL HG1 H 0.90 0.02 2 302 51 51 VAL HG2 H 0.90 0.02 2 303 51 51 VAL CA C 59.8 0.2 1 304 51 51 VAL CB C 32.3 0.2 1 305 51 51 VAL N N 123.3 0.2 1 306 52 52 PRO C C 176.7 0.2 1 307 52 52 PRO CA C 63.4 0.2 1 308 52 52 PRO CB C 32.1 0.2 1 309 52 52 PRO CG C 27.6 0.2 1 310 52 52 PRO CD C 51.4 0.2 1 311 53 53 THR HB H 4.11 0.02 1 312 53 53 THR HG2 H 1.23 0.02 1 313 53 53 THR CA C 62.9 0.2 1 314 53 53 THR CB C 69.8 0.2 1 315 54 54 PRO C C 176.8 0.2 1 316 54 54 PRO CA C 63.5 0.2 1 317 54 54 PRO CB C 32.2 0.2 1 318 54 54 PRO CG C 27.2 0.2 1 319 55 55 LYS H H 8.34 0.02 1 320 55 55 LYS HA H 4.35 0.02 1 321 55 55 LYS CA C 56.0 0.2 1 322 55 55 LYS CB C 32.9 0.2 1 323 55 55 LYS N N 121.5 0.2 1 324 56 56 ARG H H 8.24 0.02 1 325 56 56 ARG N N 123.2 0.2 1 326 57 57 PRO CA C 63.2 0.2 1 327 57 57 PRO CB C 31.9 0.2 1 328 57 57 PRO CG C 27.6 0.2 1 329 57 57 PRO CD C 50.7 0.2 1 330 58 58 ARG H H 8.48 0.02 1 331 58 58 ARG CA C 56.3 0.2 1 332 58 58 ARG CB C 30.7 0.2 1 333 58 58 ARG CG C 27.2 0.2 1 334 58 58 ARG CD C 43.5 0.2 1 335 58 58 ARG N N 121.8 0.2 1 336 59 59 GLY H H 8.39 0.02 1 337 59 59 GLY C C 173.6 0.2 1 338 59 59 GLY CA C 45.1 0.2 1 339 59 59 GLY N N 110.1 0.2 1 340 60 60 ARG H H 8.24 0.02 1 341 60 60 ARG C C 177.0 0.2 1 342 60 60 ARG CA C 53.8 0.2 1 343 60 60 ARG CB C 30.0 0.2 1 344 60 60 ARG N N 121.7 0.2 1 345 61 61 PRO CA C 63.5 0.2 1 346 61 61 PRO CB C 32.2 0.2 1 347 61 61 PRO CG C 27.6 0.2 1 348 62 62 LYS H H 8.51 0.02 1 349 62 62 LYS C C 177.3 0.2 1 350 62 62 LYS CA C 60.0 0.2 1 351 62 62 LYS CB C 33.3 0.2 1 352 62 62 LYS CG C 25.0 0.2 1 353 62 62 LYS N N 122.5 0.2 1 354 63 63 GLY H H 8.47 0.02 1 355 63 63 GLY HA2 H 3.97 0.02 1 356 63 63 GLY HA3 H 3.97 0.02 1 357 63 63 GLY C C 174.2 0.2 1 358 63 63 GLY CA C 45.5 0.2 1 359 63 63 GLY N N 110.4 0.2 1 360 64 64 SER H H 8.20 0.02 1 361 64 64 SER C C 174.8 0.2 1 362 64 64 SER CA C 58.8 0.2 1 363 64 64 SER CB C 64.1 0.2 1 364 64 64 SER N N 115.7 0.2 1 365 65 65 LYS H H 8.43 0.02 1 366 65 65 LYS HA H 4.26 0.02 1 367 65 65 LYS CA C 56.6 0.2 1 368 65 65 LYS CB C 32.9 0.2 1 369 65 65 LYS CG C 24.4 0.2 1 370 65 65 LYS N N 123.1 0.2 1 371 66 66 ASN H H 8.38 0.02 1 372 66 66 ASN C C 175.2 0.2 1 373 66 66 ASN N N 119.7 0.2 1 374 67 67 LYS H H 8.33 0.02 1 375 67 67 LYS CA C 56.3 0.2 1 376 67 67 LYS CB C 32.8 0.2 1 377 67 67 LYS CG C 24.7 0.2 1 378 67 67 LYS CD C 28.8 0.2 1 379 67 67 LYS CE C 43.5 0.2 1 380 67 67 LYS N N 122.4 0.2 1 381 68 68 GLY H H 8.39 0.02 1 382 68 68 GLY C C 173.8 0.2 1 383 68 68 GLY CA C 45.4 0.2 1 384 68 68 GLY N N 109.9 0.2 1 385 69 69 ALA H H 8.07 0.02 1 386 69 69 ALA HA H 3.90 0.02 1 387 69 69 ALA HB H 1.36 0.02 1 388 69 69 ALA C C 177.5 0.2 1 389 69 69 ALA CA C 52.3 0.2 1 390 69 69 ALA CB C 19.4 0.2 1 391 69 69 ALA N N 123.9 0.2 1 392 70 70 ALA H H 8.24 0.02 1 393 70 70 ALA HA H 4.26 0.02 1 394 70 70 ALA HB H 1.34 0.02 1 395 70 70 ALA C C 177.8 0.2 1 396 70 70 ALA CA C 52.6 0.2 1 397 70 70 ALA CB C 19.3 0.2 1 398 70 70 ALA N N 123.4 0.2 1 399 71 71 LYS H H 8.29 0.02 1 400 71 71 LYS HA H 4.24 0.02 1 401 71 71 LYS C C 176.3 0.2 1 402 71 71 LYS CA C 56.5 0.2 1 403 71 71 LYS CB C 33.1 0.2 1 404 71 71 LYS CG C 25.0 0.2 1 405 71 71 LYS CD C 28.9 0.2 1 406 71 71 LYS N N 120.7 0.2 1 407 72 72 THR H H 8.07 0.02 1 408 72 72 THR HA H 4.32 0.02 1 409 72 72 THR C C 174.3 0.2 1 410 72 72 THR CA C 64.4 0.2 1 411 72 72 THR CB C 70.1 0.2 1 412 72 72 THR CG2 C 22.0 0.2 1 413 72 72 THR N N 115.4 0.2 1 414 73 73 ARG H H 8.33 0.02 1 415 73 73 ARG HA H 4.31 0.02 1 416 73 73 ARG C C 176.2 0.2 1 417 73 73 ARG CA C 56.3 0.2 1 418 73 73 ARG CB C 31.0 0.2 1 419 73 73 ARG CG C 27.2 0.2 1 420 73 73 ARG N N 123.9 0.2 1 421 74 74 LYS C C 176.7 0.2 1 422 74 74 LYS CA C 56.5 0.2 1 423 74 74 LYS CB C 33.3 0.2 1 424 74 74 LYS CG C 24.8 0.2 1 425 75 75 THR H H 8.25 0.02 1 426 75 75 THR HA H 4.35 0.02 1 427 75 75 THR C C 174.5 0.2 1 428 75 75 THR CA C 64.6 0.2 1 429 75 75 THR CB C 70.0 0.2 1 430 75 75 THR CG2 C 21.7 0.2 1 431 75 75 THR N N 116.1 0.2 1 432 76 76 THR H H 8.21 0.02 1 433 76 76 THR C C 174.5 0.2 1 434 76 76 THR CA C 64.6 0.2 1 435 76 76 THR CB C 70.0 0.2 1 436 76 76 THR CG2 C 21.7 0.2 1 437 76 76 THR N N 116.1 0.02 1 438 77 77 THR H H 8.21 0.02 1 439 77 77 THR C C 174.3 0.2 1 440 77 77 THR CA C 64.6 0.2 1 441 77 77 THR CB C 70.1 0.2 1 442 77 77 THR N N 116.8 0.2 1 443 78 78 THR H H 8.25 0.02 1 444 78 78 THR HA H 4.41 0.02 1 445 78 78 THR HB H 4.12 0.02 1 446 78 78 THR HG2 H 1.17 0.02 1 447 78 78 THR N N 119.3 0.2 1 448 79 79 PRO C C 177.4 0.2 1 449 79 79 PRO CA C 63.7 0.2 1 450 79 79 PRO CB C 32.1 0.2 1 451 79 79 PRO CG C 27.6 0.2 1 452 79 79 PRO CD C 51.4 0.2 1 453 80 80 GLY H H 8.43 0.02 1 454 80 80 GLY HA2 H 3.90 0.02 1 455 80 80 GLY HA3 H 3.90 0.02 1 456 80 80 GLY C C 173.9 0.2 1 457 80 80 GLY CA C 45.1 0.2 1 458 80 80 GLY N N 109.3 0.2 1 459 81 81 ARG H H 8.09 0.02 1 460 81 81 ARG HA H 4.32 0.02 1 461 81 81 ARG C C 176.0 0.2 1 462 81 81 ARG CA C 56.0 0.2 1 463 81 81 ARG CB C 31.0 0.2 1 464 81 81 ARG CG C 26.9 0.2 1 465 81 81 ARG CD C 43.5 0.2 1 466 81 81 ARG N N 120.6 0.2 1 467 82 82 LYS H H 8.39 0.02 1 468 82 82 LYS HA H 4.32 0.02 1 469 82 82 LYS HB2 H 1.78 0.02 1 470 82 82 LYS HB3 H 1.78 0.02 1 471 82 82 LYS HG2 H 1.68 0.02 1 472 82 82 LYS HG3 H 1.68 0.02 1 473 82 82 LYS HD2 H 1.45 0.02 1 474 82 82 LYS HD3 H 1.45 0.02 1 475 82 82 LYS CA C 54.1 0.2 1 476 82 82 LYS CB C 32.2 0.2 1 477 82 82 LYS N N 124.5 0.2 1 478 84 84 ARG H H 8.48 0.02 1 479 84 84 ARG CA C 56.3 0.2 1 480 84 84 ARG CB C 30.7 0.2 1 481 84 84 ARG CG C 27.2 0.2 1 482 84 84 ARG CD C 43.5 0.2 1 483 84 84 ARG N N 121.8 0.2 1 484 85 85 GLY H H 8.39 0.02 1 485 85 85 GLY C C 173.6 0.2 1 486 85 85 GLY CA C 45.1 0.2 1 487 85 85 GLY N N 110.1 0.2 1 488 86 86 ARG H H 8.20 0.02 1 489 86 86 ARG C C 176.7 0.2 1 490 86 86 ARG CA C 53.8 0.2 1 491 86 86 ARG CB C 30.0 0.2 1 492 86 86 ARG N N 121.7 0.2 1 493 87 87 PRO CA C 63.5 0.2 1 494 87 87 PRO CB C 32.2 0.2 1 495 87 87 PRO CG C 27.2 0.2 1 496 88 88 LYS H H 8.37 0.02 1 497 88 88 LYS HA H 4.37 0.02 1 498 88 88 LYS CA C 56.4 0.2 1 499 88 88 LYS CB C 33.0 0.2 1 500 88 88 LYS CG C 25.0 0.2 1 501 88 88 LYS N N 121.9 0.2 1 502 89 89 LYS H H 8.20 0.02 1 503 89 89 LYS C C 176.2 0.2 1 504 89 89 LYS CA C 56.5 0.2 1 505 89 89 LYS CB C 33.3 0.2 1 506 89 89 LYS CG C 24.9 0.2 1 507 89 89 LYS N N 121.7 0.2 1 508 90 90 LEU H H 8.29 0.02 1 509 90 90 LEU HA H 4.26 0.02 1 510 90 90 LEU C C 177.3 0.2 1 511 90 90 LEU CA C 55.4 0.2 1 512 90 90 LEU CB C 42.2 0.2 1 513 90 90 LEU CG C 26.9 0.2 1 514 90 90 LEU CD1 C 25.0 0.2 1 515 90 90 LEU CD2 C 23.5 0.2 1 516 90 90 LEU N N 123.6 0.2 1 517 91 91 GLU H H 8.37 0.02 1 518 91 91 GLU HA H 4.24 0.02 1 519 91 91 GLU C C 176.6 0.2 1 520 91 91 GLU CA C 56.9 0.2 1 521 91 91 GLU CB C 30.4 0.2 1 522 91 91 GLU CG C 36.3 0.2 1 523 91 91 GLU N N 121.7 0.2 1 524 92 92 LYS H H 8.32 0.02 1 525 92 92 LYS HA H 4.26 0.02 1 526 92 92 LYS C C 176.5 0.2 1 527 92 92 LYS CA C 56.6 0.2 1 528 92 92 LYS CB C 33.2 0.2 1 529 92 92 LYS CD C 24.7 0.2 1 530 93 93 GLU H H 8.43 0.02 1 531 93 93 GLU HA H 4.24 0.02 1 532 93 93 GLU C C 176.5 0.2 1 533 93 93 GLU CA C 56.9 0.2 1 534 93 93 GLU CB C 30.4 0.2 1 535 93 93 GLU CG C 36.3 0.2 1 536 93 93 GLU N N 121.6 0.2 1 537 94 94 GLU H H 8.22 0.02 1 538 94 94 GLU HA H 4.23 0.02 1 539 94 94 GLU CA C 56.9 0.2 1 540 94 94 GLU CB C 30.1 0.2 1 541 94 94 GLU CG C 36.3 0.2 1 542 94 94 GLU N N 120.9 0.2 1 543 95 95 GLU H H 8.35 0.02 1 544 95 95 GLU HA H 4.24 0.02 1 545 95 95 GLU HB2 H 1.92 0.02 1 546 95 95 GLU HB3 H 2.05 0.02 1 547 95 95 GLU HG2 H 2.22 0.02 1 548 95 95 GLU HG3 H 2.22 0.02 1 549 95 95 GLU C C 176.5 0.2 1 550 95 95 GLU CA C 56.9 0.2 1 551 95 95 GLU CB C 30.7 0.2 1 552 95 95 GLU CG C 36.3 0.2 1 553 95 95 GLU N N 121.2 0.2 1 554 96 96 GLU H H 8.38 0.02 1 555 96 96 GLU HA H 4.24 0.02 1 556 96 96 GLU C C 177.0 0.2 1 557 96 96 GLU CA C 57.2 0.2 1 558 96 96 GLU CB C 30.4 0.2 1 559 96 96 GLU CG C 36.5 0.2 1 560 96 96 GLU N N 121.7 0.2 1 561 97 97 GLY H H 8.37 0.02 1 562 97 97 GLY HA2 H 3.92 0.02 1 563 97 97 GLY HA3 H 3.92 0.02 1 564 97 97 GLY C C 174.1 0.2 1 565 97 97 GLY CA C 45.4 0.2 1 566 97 97 GLY N N 109.8 0.2 1 567 98 98 ILE H H 7.88 0.02 1 568 98 98 ILE HA H 4.20 0.02 1 569 98 98 ILE HB H 1.83 0.02 1 570 98 98 ILE HG12 H 1.40 0.02 1 571 98 98 ILE HG13 H 1.12 0.02 1 572 98 98 ILE HG2 H 0.85 0.02 1 573 98 98 ILE HD1 H 0.85 0.02 1 574 98 98 ILE C C 176.3 0.2 1 575 98 98 ILE CA C 61.3 0.2 1 576 98 98 ILE CB C 38.8 0.2 1 577 98 98 ILE CG1 C 27.2 0.2 1 578 98 98 ILE CD1 C 17.8 0.2 1 579 98 98 ILE N N 119.6 0.2 1 580 99 99 SER H H 8.38 0.02 1 581 99 99 SER HA H 4.43 0.02 1 582 99 99 SER HB2 H 3.83 0.02 1 583 99 99 SER HB3 H 3.83 0.02 1 584 99 99 SER C C 174.6 0.2 1 585 99 99 SER CA C 58.8 0.2 1 586 99 99 SER CB C 64.1 0.2 1 587 99 99 SER N N 119.8 0.2 1 588 100 100 GLN H H 8.46 0.02 1 589 100 100 GLN C C 176.0 0.2 1 590 100 100 GLN CA C 56.6 0.2 1 591 100 100 GLN CB C 29.4 0.2 1 592 100 100 GLN CG C 33.5 0.2 1 593 100 100 GLN N N 122.7 0.2 1 594 101 101 GLU H H 8.42 0.02 1 595 101 101 GLU HA H 4.44 0.02 1 596 101 101 GLU C C 176.5 0.2 1 597 101 101 GLU CA C 56.9 0.2 1 598 101 101 GLU CB C 30.4 0.2 1 599 101 101 GLU CG C 36.3 0.2 1 600 101 101 GLU N N 121.9 0.2 1 601 102 102 SER H H 8.33 0.02 1 602 102 102 SER HA H 4.46 0.02 1 603 102 102 SER HB2 H 3.83 0.02 1 604 102 102 SER HB3 H 3.83 0.02 1 605 102 102 SER C C 174.5 0.2 1 606 102 102 SER CA C 58.8 0.2 1 607 102 102 SER CB C 64.1 0.2 1 608 102 102 SER N N 116.8 0.2 1 609 103 103 SER H H 8.37 0.02 1 610 103 103 SER HA H 4.48 0.02 1 611 103 103 SER HB2 H 3.83 0.02 1 612 103 103 SER HB3 H 3.83 0.02 1 613 103 103 SER C C 174.6 0.2 1 614 103 103 SER CA C 58.8 0.2 1 615 103 103 SER CB C 64.1 0.2 1 616 103 103 SER N N 118.1 0.2 1 617 104 104 GLU H H 8.41 0.02 1 618 104 104 GLU HA H 4.26 0.02 1 619 104 104 GLU C C 176.4 0.2 1 620 104 104 GLU CA C 56.9 0.2 1 621 104 104 GLU CB C 30.4 0.2 1 622 104 104 GLU CG C 36.3 0.2 1 623 104 104 GLU N N 122.5 0.2 1 624 105 105 GLU H H 8.30 0.02 1 625 105 105 GLU HA H 4.24 0.02 1 626 105 105 GLU HB2 H 2.04 0.02 1 627 105 105 GLU HB3 H 1.88 0.02 1 628 105 105 GLU HG2 H 2.23 0.02 1 629 105 105 GLU HG3 H 2.23 0.02 1 630 105 105 GLU C C 176.3 0.2 1 631 105 105 GLU CA C 56.6 0.2 1 632 105 105 GLU CB C 30.4 0.2 1 633 105 105 GLU CG C 36.3 0.2 1 634 105 105 GLU N N 121.0 0.2 1 635 106 106 GLU H H 8.31 0.02 1 636 106 106 GLU HA H 4.27 0.02 1 637 106 106 GLU HB2 H 2.05 0.02 2 638 106 106 GLU HB3 H 1.92 0.02 2 639 106 106 GLU HG2 H 2.25 0.02 1 640 106 106 GLU HG3 H 2.25 0.02 1 641 106 106 GLU C C 175.5 0.2 1 642 106 106 GLU CA C 56.6 0.2 1 643 106 106 GLU CB C 30.4 0.2 1 644 106 106 GLU CG C 36.3 0.2 1 645 106 106 GLU N N 122.3 0.2 1 646 107 107 GLN H H 7.96 0.02 1 647 107 107 GLN HA H 4.26 0.02 1 648 107 107 GLN HB2 H 1.88 0.02 1 649 107 107 GLN HB3 H 1.88 0.02 1 650 107 107 GLN HG2 H 2.25 0.02 2 651 107 107 GLN HG3 H 2.05 0.02 2 652 107 107 GLN N N 126.5 0.2 1 stop_ save_