data_6210 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for NESGC target hr2106 ; _BMRB_accession_number 6210 _BMRB_flat_file_name bmr6210.str _Entry_type original _Submission_date 2004-05-19 _Accession_date 2004-05-20 _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 Liu Gaohua . . 2 Atreya Hanudatta S. . 3 Shih Lydia . . 4 Acton Thomas T. . 5 Montelione Gaetano . . 6 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 339 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-08-29 original author . stop_ _Original_release_date 2007-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H and 15N Assigned Chemical Shifts for HR2106' _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 Liu Gaohua . . 2 Atreya Hanudatta S . 3 Shih Lydia . . 4 Acton Thomas . . 5 Montelione Gaetano T . 6 Szyperski Thomas . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _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 'HR2106 dimer' _Abbreviation_common 'HR2106 dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HR2106 monomer 1' $hr2106_monomer 'HR2106 monomer 2' $hr2106_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'HR2106 monomer 1' 1 'HR2106 monomer 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hr2106_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR2106 _Abbreviation_common HR2106 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MAEVEETLKRLQSQKGVQGI IVVNTEGIPIKSTMDNPTTT QYASLMHSFILKARSTVRDI DPQNDLTFLRIRSKKNEIMV APDKDYFLIVIQNPTE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 MET 2 12 ALA 3 13 GLU 4 14 VAL 5 15 GLU 6 16 GLU 7 17 THR 8 18 LEU 9 19 LYS 10 20 ARG 11 21 LEU 12 22 GLN 13 23 SER 14 24 GLN 15 25 LYS 16 26 GLY 17 27 VAL 18 28 GLN 19 29 GLY 20 30 ILE 21 31 ILE 22 32 VAL 23 33 VAL 24 34 ASN 25 35 THR 26 36 GLU 27 37 GLY 28 38 ILE 29 39 PRO 30 40 ILE 31 41 LYS 32 42 SER 33 43 THR 34 44 MET 35 45 ASP 36 46 ASN 37 47 PRO 38 48 THR 39 49 THR 40 50 THR 41 51 GLN 42 52 TYR 43 53 ALA 44 54 SER 45 55 LEU 46 56 MET 47 57 HIS 48 58 SER 49 59 PHE 50 60 ILE 51 61 LEU 52 62 LYS 53 63 ALA 54 64 ARG 55 65 SER 56 66 THR 57 67 VAL 58 68 ARG 59 69 ASP 60 70 ILE 61 71 ASP 62 72 PRO 63 73 GLN 64 74 ASN 65 75 ASP 66 76 LEU 67 77 THR 68 78 PHE 69 79 LEU 70 80 ARG 71 81 ILE 72 82 ARG 73 83 SER 74 84 LYS 75 85 LYS 76 86 ASN 77 87 GLU 78 88 ILE 79 89 MET 80 90 VAL 81 91 ALA 82 92 PRO 83 93 ASP 84 94 LYS 85 95 ASP 86 96 TYR 87 97 PHE 88 98 LEU 89 99 ILE 90 100 VAL 91 101 ILE 92 102 GLN 93 103 ASN 94 104 PRO 95 105 THR 96 106 GLU 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 BMRB 15142 Dynein_light_chain_2A,_cytoplasmic 100.00 101 100.00 100.00 2.23e-62 BMRB 6527 Homedimeric_LC7_Dynein_Light_Chain_Km23 100.00 96 100.00 100.00 1.14e-62 PDB 1Z09 "Solution Structure Of Km23" 100.00 96 100.00 100.00 1.14e-62 PDB 2B95 "Solution Nmr Structure Of Protein Dynein Light Chain 2a, Cytoplasmic; Northeast Structural Genomics Consortium Target Hr2106" 100.00 106 100.00 100.00 5.84e-63 PDB 2E8J "Solution Structure Of Dynein Light Chain 2a" 100.00 101 100.00 100.00 2.23e-62 PDB 2HZ5 "Crystal Structure Of Human Dynein Light Chain Dnlc2a" 100.00 106 100.00 100.00 7.51e-63 DBJ BAG57523 "unnamed protein product [Homo sapiens]" 87.50 121 98.81 98.81 6.98e-52 GB AAF29126 "HSPC162 [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAF86646 "bithoraxoid-like protein [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAH02481 "Dynein, light chain, roadblock-type 1 [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAK18712 "dynein-associated protein HKM23 [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAK95342 "BITH [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 REF NP_001177109 "dynein light chain roadblock-type 1 [Sus scrofa]" 100.00 96 97.92 100.00 2.09e-61 REF NP_001268656 "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" 65.63 63 100.00 100.00 1.31e-37 REF NP_001268657 "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" 65.63 63 100.00 100.00 1.31e-37 REF NP_001268658 "dynein light chain roadblock-type 1 isoform c [Homo sapiens]" 72.92 103 98.57 98.57 7.06e-42 REF NP_054902 "dynein light chain roadblock-type 1 isoform a [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 SP Q9NP97 "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Bithoraxoid-like protein; Short=BLP; AltName: Full=Dynein ligh" 100.00 96 100.00 100.00 1.14e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hr2106_monomer 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_name $hr2106_monomer 'Purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hr2106_monomer 1.3 mM '[U-13 C; U-15 N]' D2O 5 % . NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNcoCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label $sample_1 save_ save_rd_HNNCAHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'rd HNNCAHA' _Sample_label $sample_1 save_ save_rd_HACAcoHNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'rd HACAcoHNH' _Sample_label $sample_1 save_ save_rd_HABCABcoNHN_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'rd HABCABcoNHN' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'rd HNNCAHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'rd HACAcoHNH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'rd HABCABcoNHN' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0 external indirect . . . 1.0 $entry_citation $entry_citation . N 15 . ppm . . . . . . . $entry_citation $entry_citation . C 13 . ppm . . . . . . . $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HR2106 monomer 1' _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 . 1 MET N N 119.4 0.1 1 2 . 1 MET H H 8.32 0.01 1 3 . 1 MET CA C 56.7 0.1 1 4 . 1 MET HA H 4.32 0.01 1 5 . 1 MET CB C 31.4 0.1 1 6 . 1 MET HB2 H 2.01 0.01 2 7 . 1 MET HB3 H 2.14 0.01 2 8 . 1 MET CG C 32.0 0.1 1 9 . 1 MET HG2 H 2.47 0.01 2 10 . 1 MET HG3 H 2.55 0.01 2 11 . 1 MET HE H 1.92 0.01 1 12 . 1 MET CE C 16.4 0.1 1 13 . 2 ALA N N 122.3 0.1 1 14 . 2 ALA H H 8.19 0.01 1 15 . 2 ALA CA C 55.0 0.1 1 16 . 2 ALA HA H 4.13 0.01 1 17 . 2 ALA HB H 1.42 0.01 1 18 . 2 ALA CB C 17.9 0.1 1 19 . 3 GLU N N 118.2 0.1 1 20 . 3 GLU H H 8.07 0.01 1 21 . 3 GLU CA C 59.1 0.1 1 22 . 3 GLU HA H 4.11 0.01 1 23 . 3 GLU CB C 29.3 0.1 1 24 . 3 GLU HB2 H 2.16 0.01 1 25 . 3 GLU HB3 H 2.16 0.01 1 26 . 3 GLU CG C 36.4 0.1 1 27 . 3 GLU HG2 H 2.36 0.01 1 28 . 3 GLU HG3 H 2.36 0.01 1 29 . 4 VAL N N 120.6 0.1 1 30 . 4 VAL H H 7.90 0.01 1 31 . 4 VAL CA C 65.7 0.1 1 32 . 4 VAL HA H 3.64 0.01 1 33 . 4 VAL CB C 31.6 0.1 1 34 . 4 VAL HB H 2.15 0.01 1 35 . 4 VAL HG1 H 0.70 0.01 2 36 . 4 VAL HG2 H 0.74 0.01 2 37 . 4 VAL CG1 C 21.5 0.1 1 38 . 4 VAL CG2 C 22.6 0.1 1 39 . 5 GLU N N 119.0 0.1 1 40 . 5 GLU H H 8.25 0.01 1 41 . 5 GLU CA C 59.8 0.1 1 42 . 5 GLU HA H 3.86 0.01 1 43 . 5 GLU CB C 29.1 0.1 1 44 . 5 GLU HB2 H 2.02 0.01 2 45 . 5 GLU HB3 H 2.12 0.01 2 46 . 5 GLU CG C 36.5 0.1 1 47 . 5 GLU HG2 H 2.17 0.01 2 48 . 5 GLU HG3 H 2.36 0.01 2 49 . 6 GLU N N 119.3 0.1 1 50 . 6 GLU H H 7.86 0.01 1 51 . 6 GLU CA C 59.3 0.1 1 52 . 6 GLU HA H 4.05 0.01 1 53 . 6 GLU CB C 29.1 0.1 1 54 . 6 GLU HB2 H 2.13 0.01 2 55 . 6 GLU HB3 H 2.15 0.01 2 56 . 6 GLU CG C 35.7 0.1 1 57 . 6 GLU HG2 H 2.35 0.01 1 58 . 6 GLU HG3 H 2.35 0.01 1 59 . 7 THR N N 119.0 0.1 1 60 . 7 THR H H 8.10 0.01 1 61 . 7 THR CA C 66.7 0.1 1 62 . 7 THR HA H 3.85 0.01 1 63 . 7 THR CB C 68.2 0.1 1 64 . 7 THR HB H 4.34 0.01 1 65 . 7 THR HG2 H 1.18 0.01 1 66 . 7 THR CG2 C 21.8 0.1 1 67 . 8 LEU N N 121.4 0.1 1 68 . 8 LEU H H 8.38 0.01 1 69 . 8 LEU CA C 59.2 0.1 1 70 . 8 LEU HA H 3.77 0.01 1 71 . 8 LEU CB C 41.3 0.1 1 72 . 8 LEU HB2 H 1.60 0.01 2 73 . 8 LEU HB3 H 1.66 0.01 2 74 . 8 LEU CG C 27.0 0.1 1 75 . 8 LEU HG H 1.64 0.01 1 76 . 8 LEU HD1 H 0.67 0.01 2 77 . 8 LEU HD2 H 0.68 0.01 2 78 . 8 LEU CD1 C 24.2 0.1 1 79 . 8 LEU CD2 C 24.9 0.1 1 80 . 9 LYS N N 117.8 0.1 1 81 . 9 LYS H H 7.79 0.01 1 82 . 9 LYS CA C 59.4 0.1 1 83 . 9 LYS HA H 4.00 0.01 1 84 . 9 LYS CB C 32.3 0.1 1 85 . 9 LYS HB2 H 1.89 0.01 1 86 . 9 LYS HB3 H 1.89 0.01 1 87 . 9 LYS CG C 25.0 0.1 1 88 . 9 LYS HG2 H 1.40 0.01 2 89 . 9 LYS HG3 H 1.57 0.01 2 90 . 9 LYS CD C 29.1 0.1 1 91 . 9 LYS HD2 H 1.67 0.01 1 92 . 9 LYS HD3 H 1.67 0.01 1 93 . 9 LYS CE C 41.8 0.1 1 94 . 9 LYS HE2 H 2.93 0.01 1 95 . 9 LYS HE3 H 2.93 0.01 1 96 . 10 ARG N N 118.9 0.1 1 97 . 10 ARG H H 7.77 0.01 1 98 . 10 ARG CA C 59.1 0.1 1 99 . 10 ARG HA H 4.09 0.01 1 100 . 10 ARG CB C 30.2 0.1 1 101 . 10 ARG HB2 H 1.95 0.01 1 102 . 10 ARG HB3 H 1.95 0.01 1 103 . 10 ARG CG C 27.2 0.1 1 104 . 10 ARG HG2 H 1.56 0.01 2 105 . 10 ARG HG3 H 1.75 0.01 2 106 . 10 ARG CD C 43.2 0.1 1 107 . 10 ARG HD2 H 3.23 0.01 1 108 . 10 ARG HD3 H 3.23 0.01 1 109 . 10 ARG NE N 83.7 0.1 1 110 . 10 ARG HE H 7.43 0.01 1 111 . 11 LEU N N 119.9 0.1 1 112 . 11 LEU H H 8.22 0.01 1 113 . 11 LEU CA C 57.1 0.1 1 114 . 11 LEU HA H 4.10 0.01 1 115 . 11 LEU CB C 42.8 0.1 1 116 . 11 LEU HB2 H 1.31 0.01 2 117 . 11 LEU HB3 H 1.86 0.01 2 118 . 11 LEU CG C 26.9 0.1 1 119 . 11 LEU HG H 1.83 0.01 1 120 . 11 LEU HD1 H 0.83 0.01 2 121 . 11 LEU HD2 H 0.85 0.01 2 122 . 11 LEU CD1 C 26.4 0.1 1 123 . 11 LEU CD2 C 22.6 0.1 1 124 . 12 GLN N N 115.7 0.1 1 125 . 12 GLN H H 8.25 0.01 1 126 . 12 GLN CA C 58.1 0.1 1 127 . 12 GLN HA H 3.96 0.01 1 128 . 12 GLN CB C 28.7 0.1 1 129 . 12 GLN HB2 H 2.09 0.01 2 130 . 12 GLN HB3 H 2.16 0.01 2 131 . 12 GLN CG C 34.4 0.1 1 132 . 12 GLN HG2 H 2.38 0.01 2 133 . 12 GLN HG3 H 2.45 0.01 2 134 . 12 GLN NE2 N 110.4 0.1 1 135 . 12 GLN HE21 H 7.34 0.01 2 136 . 12 GLN HE22 H 6.72 0.01 2 137 . 13 SER N N 111.4 0.1 1 138 . 13 SER H H 7.38 0.01 1 139 . 13 SER CA C 58.6 0.1 1 140 . 13 SER HA H 4.47 0.01 1 141 . 13 SER CB C 63.8 0.1 1 142 . 13 SER HB2 H 3.96 0.01 2 143 . 13 SER HB3 H 4.03 0.01 2 144 . 14 GLN N N 122.3 0.1 1 145 . 14 GLN H H 7.50 0.01 1 146 . 14 GLN CA C 55.5 0.1 1 147 . 14 GLN HA H 4.27 0.01 1 148 . 14 GLN CB C 29.1 0.1 1 149 . 14 GLN HB2 H 2.15 0.01 1 150 . 14 GLN HB3 H 2.15 0.01 1 151 . 14 GLN CG C 33.9 0.1 1 152 . 14 GLN HG2 H 2.40 0.01 2 153 . 14 GLN HG3 H 2.50 0.01 2 154 . 14 GLN NE2 N 111.1 0.1 1 155 . 14 GLN HE21 H 7.35 0.01 2 156 . 14 GLN HE22 H 6.80 0.01 2 157 . 15 LYS N N 124.7 0.1 1 158 . 15 LYS H H 8.58 0.01 1 159 . 15 LYS CA C 57.7 0.1 1 160 . 15 LYS HA H 4.12 0.01 1 161 . 15 LYS CB C 32.4 0.1 1 162 . 15 LYS HB2 H 1.80 0.01 1 163 . 15 LYS HB3 H 1.80 0.01 1 164 . 15 LYS CG C 24.6 0.1 1 165 . 15 LYS HG2 H 1.42 0.01 2 166 . 15 LYS HG3 H 1.51 0.01 2 167 . 15 LYS CD C 28.9 0.1 1 168 . 15 LYS HD2 H 1.70 0.01 1 169 . 15 LYS HD3 H 1.70 0.01 1 170 . 15 LYS CE C 41.8 0.1 1 171 . 15 LYS HE2 H 3.00 0.01 1 172 . 15 LYS HE3 H 3.00 0.01 1 173 . 16 GLY N N 111.6 0.1 1 174 . 16 GLY H H 8.85 0.01 1 175 . 16 GLY CA C 45.5 0.1 1 176 . 16 GLY HA2 H 4.26 0.01 2 177 . 16 GLY HA3 H 3.77 0.01 2 178 . 17 VAL N N 120.6 0.1 1 179 . 17 VAL H H 7.57 0.01 1 180 . 17 VAL CA C 64.6 0.1 1 181 . 17 VAL HA H 3.83 0.01 1 182 . 17 VAL CB C 31.7 0.1 1 183 . 17 VAL HB H 2.17 0.01 1 184 . 17 VAL HG1 H 0.81 0.01 2 185 . 17 VAL HG2 H 0.92 0.01 2 186 . 17 VAL CG1 C 21.6 0.1 1 187 . 17 VAL CG2 C 22.7 0.1 1 188 . 18 GLN N N 128.0 0.1 1 189 . 18 GLN H H 9.58 0.01 1 190 . 18 GLN CA C 56.0 0.1 1 191 . 18 GLN HA H 4.39 0.01 1 192 . 18 GLN CB C 29.7 0.1 1 193 . 18 GLN HB2 H 1.62 0.01 2 194 . 18 GLN HB3 H 2.04 0.01 2 195 . 18 GLN CG C 33.3 0.1 1 196 . 18 GLN HG2 H 2.34 0.01 1 197 . 18 GLN HG3 H 2.34 0.01 1 198 . 18 GLN NE2 N 109.5 0.1 1 199 . 18 GLN HE21 H 7.42 0.01 2 200 . 18 GLN HE22 H 6.74 0.01 2 201 . 19 GLY N N 105.8 0.1 1 202 . 19 GLY H H 7.78 0.01 1 203 . 19 GLY CA C 45.5 0.1 1 204 . 19 GLY HA2 H 4.67 0.01 2 205 . 19 GLY HA3 H 4.00 0.01 2 206 . 20 ILE N N 119.4 0.1 1 207 . 20 ILE H H 8.15 0.01 1 208 . 20 ILE CA C 60.5 0.1 1 209 . 20 ILE HA H 5.15 0.01 1 210 . 20 ILE CB C 42.4 0.1 1 211 . 20 ILE HB H 1.53 0.01 1 212 . 20 ILE HG2 H 0.79 0.01 1 213 . 20 ILE CG2 C 19.4 0.1 1 214 . 20 ILE CG1 C 28.3 0.1 1 215 . 20 ILE HG12 H 1.50 0.01 2 216 . 20 ILE HG13 H 1.04 0.01 2 217 . 20 ILE HD1 H 0.83 0.01 1 218 . 20 ILE CD1 C 16.6 0.1 1 219 . 21 ILE N N 124.5 0.1 1 220 . 21 ILE H H 9.28 0.01 1 221 . 21 ILE CA C 60.4 0.1 1 222 . 21 ILE HA H 4.64 0.01 1 223 . 21 ILE CB C 42.9 0.1 1 224 . 21 ILE HB H 1.58 0.01 1 225 . 21 ILE HG2 H 0.92 0.01 1 226 . 21 ILE CG2 C 18.2 0.1 1 227 . 21 ILE CG1 C 26.8 0.1 1 228 . 21 ILE HG12 H 1.21 0.01 2 229 . 21 ILE HG13 H 1.46 0.01 2 230 . 21 ILE HD1 H 0.84 0.01 1 231 . 21 ILE CD1 C 16.0 0.1 1 232 . 22 VAL N N 126.0 0.1 1 233 . 22 VAL H H 8.96 0.01 1 234 . 22 VAL CA C 60.9 0.1 1 235 . 22 VAL HA H 4.95 0.01 1 236 . 22 VAL CB C 33.0 0.1 1 237 . 22 VAL HB H 1.82 0.01 1 238 . 22 VAL HG1 H 0.62 0.01 2 239 . 22 VAL HG2 H 0.74 0.01 2 240 . 22 VAL CG1 C 21.5 0.1 1 241 . 22 VAL CG2 C 21.0 0.1 1 242 . 23 VAL N N 122.8 0.1 1 243 . 23 VAL H H 8.96 0.01 1 244 . 23 VAL CA C 58.7 0.1 1 245 . 23 VAL HA H 5.11 0.01 1 246 . 23 VAL CB C 34.6 0.1 1 247 . 23 VAL HB H 1.55 0.01 1 248 . 23 VAL HG1 H 0.92 0.01 2 249 . 23 VAL HG2 H 0.81 0.01 2 250 . 23 VAL CG1 C 21.2 0.1 1 251 . 23 VAL CG2 C 21.5 0.1 1 252 . 24 ASN N N 120.7 0.1 1 253 . 24 ASN H H 8.37 0.01 1 254 . 24 ASN CA C 51.2 0.1 1 255 . 24 ASN HA H 5.12 0.01 1 256 . 24 ASN CB C 38.5 0.1 1 257 . 24 ASN HB2 H 2.80 0.01 2 258 . 24 ASN HB3 H 3.99 0.01 2 259 . 24 ASN ND2 N 110.8 0.1 1 260 . 24 ASN HD21 H 7.82 0.01 2 261 . 24 ASN HD22 H 6.69 0.01 2 262 . 25 THR N N 109.1 0.1 1 263 . 25 THR H H 8.04 0.01 1 264 . 25 THR CA C 65.4 0.1 1 265 . 25 THR HA H 4.11 0.01 1 266 . 25 THR CB C 68.5 0.1 1 267 . 25 THR HB H 4.43 0.01 1 268 . 25 THR HG2 H 1.29 0.01 1 269 . 25 THR CG2 C 22.0 0.1 1 270 . 26 GLU N N 118.6 0.1 1 271 . 26 GLU H H 7.58 0.01 1 272 . 26 GLU CA C 56.1 0.1 1 273 . 26 GLU HA H 4.41 0.01 1 274 . 26 GLU CB C 29.7 0.1 1 275 . 26 GLU HB2 H 1.96 0.01 2 276 . 26 GLU HB3 H 2.23 0.01 2 277 . 26 GLU CG C 36.9 0.1 1 278 . 26 GLU HG2 H 2.22 0.01 2 279 . 26 GLU HG3 H 2.26 0.01 2 280 . 27 GLY N N 107.5 0.1 1 281 . 27 GLY H H 7.91 0.01 1 282 . 27 GLY CA C 44.7 0.1 1 283 . 27 GLY HA2 H 3.43 0.01 2 284 . 27 GLY HA3 H 2.92 0.01 2 285 . 28 ILE N N 122.3 0.1 1 286 . 28 ILE H H 7.68 0.01 1 287 . 28 ILE CA C 57.0 0.1 1 288 . 28 ILE HA H 4.27 0.01 1 289 . 28 ILE CB C 38.0 0.1 1 290 . 28 ILE HB H 1.79 0.01 1 291 . 28 ILE HG2 H 0.81 0.01 1 292 . 28 ILE CG2 C 16.2 0.1 1 293 . 28 ILE CG1 C 27.2 0.1 1 294 . 28 ILE HG12 H 1.34 0.01 2 295 . 28 ILE HG13 H 1.20 0.01 2 296 . 28 ILE HD1 H 0.73 0.01 1 297 . 28 ILE CD1 C 11.0 0.1 1 298 . 29 PRO CD C 50.6 0.1 1 299 . 29 PRO CA C 62.3 0.1 1 300 . 29 PRO HA H 4.75 0.01 1 301 . 29 PRO CB C 30.6 0.1 1 302 . 29 PRO HB2 H 1.64 0.01 2 303 . 29 PRO HB3 H 1.86 0.01 2 304 . 29 PRO CG C 27.8 0.1 1 305 . 29 PRO HG2 H 1.67 0.01 2 306 . 29 PRO HG3 H 2.23 0.01 2 307 . 29 PRO HD2 H 3.73 0.01 2 308 . 29 PRO HD3 H 3.92 0.01 2 309 . 30 ILE N N 123.5 0.1 1 310 . 30 ILE H H 9.01 0.01 1 311 . 30 ILE CA C 61.2 0.1 1 312 . 30 ILE HA H 4.17 0.01 1 313 . 30 ILE CB C 39.2 0.1 1 314 . 30 ILE HB H 1.65 0.01 1 315 . 30 ILE HG2 H 0.85 0.01 1 316 . 30 ILE CG2 C 17.9 0.1 1 317 . 30 ILE CG1 C 26.5 0.1 1 318 . 30 ILE HG12 H 1.13 0.01 2 319 . 30 ILE HG13 H 1.01 0.01 2 320 . 30 ILE HD1 H 0.58 0.01 1 321 . 30 ILE CD1 C 12.4 0.1 1 322 . 31 LYS N N 118.1 0.1 1 323 . 31 LYS H H 7.45 0.01 1 324 . 31 LYS CA C 55.2 0.1 1 325 . 31 LYS HA H 4.48 0.01 1 326 . 31 LYS CB C 36.2 0.1 1 327 . 31 LYS HB2 H 1.46 0.01 2 328 . 31 LYS HB3 H 1.57 0.01 2 329 . 31 LYS CG C 25.0 0.1 1 330 . 31 LYS HG2 H 1.26 0.01 1 331 . 31 LYS HG3 H 1.26 0.01 1 332 . 31 LYS CD C 28.6 0.1 1 333 . 31 LYS HD2 H 1.66 0.01 1 334 . 31 LYS HD3 H 1.66 0.01 1 335 . 31 LYS CE C 41.8 0.1 1 336 . 31 LYS HE2 H 2.84 0.01 1 337 . 31 LYS HE3 H 2.84 0.01 1 338 . 32 SER N N 115.7 0.1 1 339 . 32 SER H H 8.57 0.01 1 340 . 32 SER CA C 55.5 0.1 1 341 . 32 SER HA H 5.45 0.01 1 342 . 32 SER CB C 64.9 0.1 1 343 . 32 SER HB2 H 3.62 0.01 2 344 . 32 SER HB3 H 3.84 0.01 2 345 . 32 SER HG H 5.62 0.01 1 346 . 33 THR N N 115.7 0.1 1 347 . 33 THR H H 8.71 0.01 1 348 . 33 THR CA C 61.9 0.1 1 349 . 33 THR HA H 4.66 0.01 1 350 . 33 THR CB C 68.6 0.1 1 351 . 33 THR HB H 4.69 0.01 1 352 . 33 THR HG2 H 1.21 0.01 1 353 . 33 THR HG1 H 6.24 0.01 1 354 . 33 THR CG2 C 21.8 0.1 1 355 . 34 MET N N 121.4 0.1 1 356 . 34 MET H H 8.58 0.01 1 357 . 34 MET CA C 54.2 0.1 1 358 . 34 MET HA H 4.76 0.01 1 359 . 34 MET CB C 35.3 0.1 1 360 . 34 MET HB2 H 1.74 0.01 2 361 . 34 MET HB3 H 2.19 0.01 2 362 . 34 MET CG C 32.5 0.1 1 363 . 34 MET HG2 H 2.32 0.01 1 364 . 34 MET HG3 H 2.32 0.01 1 365 . 34 MET HE H 1.80 0.01 1 366 . 34 MET CE C 17.4 0.1 1 367 . 35 ASP N N 118.6 0.1 1 368 . 35 ASP H H 8.55 0.01 1 369 . 35 ASP CA C 53.7 0.1 1 370 . 35 ASP HA H 4.49 0.01 1 371 . 35 ASP CB C 40.9 0.1 1 372 . 35 ASP HB2 H 2.82 0.01 2 373 . 35 ASP HB3 H 3.15 0.01 2 374 . 36 ASN N N 120.7 0.1 1 375 . 36 ASN H H 9.32 0.01 1 376 . 36 ASN CA C 58.2 0.1 1 377 . 36 ASN HA H 4.60 0.01 1 378 . 36 ASN CB C 36.1 0.1 1 379 . 36 ASN HB2 H 2.92 0.01 2 380 . 36 ASN HB3 H 2.98 0.01 2 381 . 36 ASN ND2 N 112.8 0.1 1 382 . 36 ASN HD21 H 7.74 0.01 2 383 . 36 ASN HD22 H 7.01 0.01 2 384 . 37 PRO CD C 49.8 0.1 1 385 . 37 PRO CA C 66.3 0.1 1 386 . 37 PRO HA H 4.32 0.01 1 387 . 37 PRO CB C 30.6 0.1 1 388 . 37 PRO HB2 H 1.94 0.01 2 389 . 37 PRO HB3 H 2.32 0.01 2 390 . 37 PRO CG C 28.1 0.1 1 391 . 37 PRO HG2 H 2.02 0.01 2 392 . 37 PRO HG3 H 2.22 0.01 2 393 . 37 PRO HD2 H 3.71 0.01 2 394 . 37 PRO HD3 H 3.97 0.01 2 395 . 38 THR N N 115.7 0.1 1 396 . 38 THR H H 8.08 0.01 1 397 . 38 THR CA C 66.8 0.1 1 398 . 38 THR HA H 4.01 0.01 1 399 . 38 THR CB C 67.8 0.1 1 400 . 38 THR HB H 4.04 0.01 1 401 . 38 THR HG2 H 1.36 0.01 1 402 . 38 THR CG2 C 21.7 0.1 1 403 . 39 THR N N 118.7 0.1 1 404 . 39 THR H H 8.41 0.01 1 405 . 39 THR CA C 67.8 0.1 1 406 . 39 THR HA H 3.77 0.01 1 407 . 39 THR CB C 68.2 0.1 1 408 . 39 THR HB H 4.48 0.01 1 409 . 39 THR HG2 H 1.23 0.01 1 410 . 39 THR HG1 H 5.33 0.01 1 411 . 39 THR CG2 C 21.0 0.1 1 412 . 40 THR N N 116.1 0.1 1 413 . 40 THR H H 8.42 0.01 1 414 . 40 THR CA C 66.8 0.1 1 415 . 40 THR HA H 3.83 0.01 1 416 . 40 THR CB C 68.7 0.1 1 417 . 40 THR HB H 4.22 0.01 1 418 . 40 THR HG2 H 1.25 0.01 1 419 . 40 THR CG2 C 21.3 0.1 1 420 . 41 GLN N N 121.8 0.1 1 421 . 41 GLN H H 7.77 0.01 1 422 . 41 GLN CA C 59.1 0.1 1 423 . 41 GLN HA H 4.12 0.01 1 424 . 41 GLN CB C 28.7 0.1 1 425 . 41 GLN HB2 H 2.11 0.01 2 426 . 41 GLN HB3 H 2.19 0.01 2 427 . 41 GLN CG C 33.3 0.1 1 428 . 41 GLN HG2 H 2.03 0.01 2 429 . 41 GLN HG3 H 2.33 0.01 2 430 . 41 GLN NE2 N 110.3 0.1 1 431 . 41 GLN HE21 H 7.18 0.01 2 432 . 41 GLN HE22 H 6.65 0.01 2 433 . 42 TYR N N 115.7 0.1 1 434 . 42 TYR H H 8.43 0.01 1 435 . 42 TYR CA C 63.0 0.1 1 436 . 42 TYR HA H 4.00 0.01 1 437 . 42 TYR CB C 39.4 0.1 1 438 . 42 TYR HB2 H 2.56 0.01 2 439 . 42 TYR HB3 H 3.00 0.01 2 440 . 42 TYR HD1 H 7.00 0.01 1 441 . 42 TYR HD2 H 7.00 0.01 1 442 . 42 TYR HE1 H 6.57 0.01 1 443 . 42 TYR HE2 H 6.57 0.01 1 444 . 42 TYR CD1 C 131.5 0.1 1 445 . 42 TYR CE1 C 118.1 0.1 1 446 . 43 ALA N N 119.8 0.1 1 447 . 43 ALA H H 8.93 0.01 1 448 . 43 ALA CA C 56.5 0.1 1 449 . 43 ALA HA H 3.87 0.01 1 450 . 43 ALA HB H 1.48 0.01 1 451 . 43 ALA CB C 18.3 0.1 1 452 . 44 SER N N 110.7 0.1 1 453 . 44 SER H H 7.88 0.01 1 454 . 44 SER CA C 61.3 0.1 1 455 . 44 SER HA H 4.35 0.01 1 456 . 44 SER CB C 62.8 0.1 1 457 . 44 SER HB2 H 4.03 0.01 1 458 . 44 SER HB3 H 4.03 0.01 1 459 . 45 LEU N N 121.0 0.1 1 460 . 45 LEU H H 7.96 0.01 1 461 . 45 LEU CA C 57.1 0.1 1 462 . 45 LEU HA H 4.24 0.01 1 463 . 45 LEU CB C 42.4 0.1 1 464 . 45 LEU HB2 H 1.41 0.01 2 465 . 45 LEU HB3 H 1.76 0.01 2 466 . 45 LEU CG C 27.1 0.1 1 467 . 45 LEU HG H 1.80 0.01 1 468 . 45 LEU HD1 H 0.77 0.01 2 469 . 45 LEU HD2 H 0.88 0.01 2 470 . 45 LEU CD1 C 25.8 0.1 1 471 . 45 LEU CD2 C 23.7 0.1 1 472 . 46 MET N N 114.8 0.1 1 473 . 46 MET H H 8.87 0.01 1 474 . 46 MET CA C 55.7 0.1 1 475 . 46 MET HA H 4.73 0.01 1 476 . 46 MET CB C 30.3 0.1 1 477 . 46 MET HB2 H 1.81 0.01 2 478 . 46 MET HB3 H 2.45 0.01 2 479 . 46 MET CG C 33.4 0.1 1 480 . 46 MET HG2 H 2.71 0.01 2 481 . 46 MET HG3 H 2.82 0.01 2 482 . 46 MET HE H 1.78 0.01 1 483 . 46 MET CE C 17.4 0.1 1 484 . 47 HIS N N 120.3 0.1 1 485 . 47 HIS H H 8.47 0.01 1 486 . 47 HIS CA C 60.7 0.1 1 487 . 47 HIS HA H 4.19 0.01 1 488 . 47 HIS CB C 30.9 0.1 1 489 . 47 HIS HB2 H 3.37 0.01 2 490 . 47 HIS HB3 H 3.30 0.01 2 491 . 47 HIS CD2 C 120.0 0.1 1 492 . 47 HIS CE1 C 136.0 0.1 1 493 . 47 HIS HD2 H 7.10 0.01 1 494 . 47 HIS HE1 H 8.10 0.01 1 495 . 48 SER N N 110.0 0.1 1 496 . 48 SER H H 7.60 0.01 1 497 . 48 SER CA C 61.1 0.1 1 498 . 48 SER HA H 3.94 0.01 1 499 . 48 SER CB C 62.6 0.1 1 500 . 48 SER HB2 H 3.96 0.01 2 501 . 48 SER HB3 H 4.01 0.01 2 502 . 49 PHE N N 121.0 0.1 1 503 . 49 PHE H H 7.77 0.01 1 504 . 49 PHE CA C 60.7 0.1 1 505 . 49 PHE HA H 4.18 0.01 1 506 . 49 PHE CB C 39.4 0.1 1 507 . 49 PHE HB2 H 3.10 0.01 2 508 . 49 PHE HB3 H 3.40 0.01 2 509 . 49 PHE HD1 H 7.00 0.01 1 510 . 49 PHE HD2 H 7.00 0.01 1 511 . 49 PHE HE1 H 6.85 0.01 1 512 . 49 PHE HE2 H 6.85 0.01 1 513 . 49 PHE CD1 C 130.9 0.1 1 514 . 49 PHE CE1 C 130.2 0.1 1 515 . 49 PHE CZ C 128.5 0.1 1 516 . 49 PHE HZ H 6.82 0.01 1 517 . 50 ILE N N 120.6 0.1 1 518 . 50 ILE H H 8.85 0.01 1 519 . 50 ILE CA C 65.2 0.1 1 520 . 50 ILE HA H 3.23 0.01 1 521 . 50 ILE CB C 37.3 0.1 1 522 . 50 ILE HB H 1.58 0.01 1 523 . 50 ILE HG2 H 0.17 0.01 1 524 . 50 ILE CG2 C 16.6 0.1 1 525 . 50 ILE CG1 C 29.8 0.1 1 526 . 50 ILE HG12 H 0.60 0.01 2 527 . 50 ILE HG13 H 1.55 0.01 2 528 . 50 ILE HD1 H 0.38 0.01 1 529 . 50 ILE CD1 C 13.5 0.1 1 530 . 51 LEU N N 119.4 0.1 1 531 . 51 LEU H H 7.62 0.01 1 532 . 51 LEU CA C 58.1 0.1 1 533 . 51 LEU HA H 3.83 0.01 1 534 . 51 LEU CB C 41.0 0.1 1 535 . 51 LEU HB2 H 1.38 0.01 2 536 . 51 LEU HB3 H 1.64 0.01 2 537 . 51 LEU CG C 26.6 0.1 1 538 . 51 LEU HG H 1.39 0.01 1 539 . 51 LEU HD1 H 0.73 0.01 2 540 . 51 LEU HD2 H 0.59 0.01 2 541 . 51 LEU CD1 C 22.6 0.1 1 542 . 51 LEU CD2 C 24.5 0.1 1 543 . 52 LYS N N 119.6 0.1 1 544 . 52 LYS H H 7.54 0.01 1 545 . 52 LYS CA C 57.3 0.1 1 546 . 52 LYS HA H 4.23 0.01 1 547 . 52 LYS CB C 31.6 0.1 1 548 . 52 LYS HB2 H 1.93 0.01 2 549 . 52 LYS HB3 H 1.98 0.01 2 550 . 52 LYS CG C 25.0 0.1 1 551 . 52 LYS HG2 H 1.40 0.01 1 552 . 52 LYS HG3 H 1.40 0.01 1 553 . 52 LYS CD C 28.2 0.1 1 554 . 52 LYS HD2 H 1.76 0.01 2 555 . 52 LYS HD3 H 1.57 0.01 2 556 . 52 LYS CE C 41.8 0.1 1 557 . 52 LYS HE2 H 2.83 0.01 1 558 . 52 LYS HE3 H 2.83 0.01 1 559 . 53 ALA N N 124.8 0.1 1 560 . 53 ALA H H 8.78 0.01 1 561 . 53 ALA CA C 55.1 0.1 1 562 . 53 ALA HA H 3.46 0.01 1 563 . 53 ALA HB H 1.19 0.01 1 564 . 53 ALA CB C 19.0 0.1 1 565 . 54 ARG N N 116.9 0.1 1 566 . 54 ARG H H 8.52 0.01 1 567 . 54 ARG CA C 60.3 0.1 1 568 . 54 ARG HA H 3.75 0.01 1 569 . 54 ARG CB C 30.5 0.1 1 570 . 54 ARG HB2 H 1.96 0.01 2 571 . 54 ARG HB3 H 1.78 0.01 2 572 . 54 ARG CG C 27.8 0.1 1 573 . 54 ARG HG2 H 1.80 0.01 2 574 . 54 ARG HG3 H 1.64 0.01 2 575 . 54 ARG CD C 44.1 0.1 1 576 . 54 ARG HD2 H 3.17 0.01 1 577 . 54 ARG HD3 H 3.17 0.01 1 578 . 54 ARG NE N 84.5 0.1 1 579 . 54 ARG HE H 8.11 0.01 1 580 . 55 SER N N 113.7 0.1 1 581 . 55 SER H H 8.03 0.01 1 582 . 55 SER CA C 61.7 0.1 1 583 . 55 SER HA H 4.07 0.01 1 584 . 55 SER CB C 62.5 0.1 1 585 . 55 SER HB2 H 3.95 0.01 2 586 . 55 SER HB3 H 3.89 0.01 2 587 . 56 THR N N 118.6 0.1 1 588 . 56 THR H H 7.93 0.01 1 589 . 56 THR CA C 67.7 0.1 1 590 . 56 THR HA H 3.80 0.01 1 591 . 56 THR CB C 68.5 0.1 1 592 . 56 THR HB H 3.94 0.01 1 593 . 56 THR HG2 H 0.85 0.01 1 594 . 56 THR HG1 H 4.94 0.01 1 595 . 56 THR CG2 C 20.5 0.1 1 596 . 57 VAL N N 116.5 0.1 1 597 . 57 VAL H H 7.51 0.01 1 598 . 57 VAL CA C 66.6 0.1 1 599 . 57 VAL HA H 3.43 0.01 1 600 . 57 VAL CB C 31.5 0.1 1 601 . 57 VAL HB H 2.08 0.01 1 602 . 57 VAL HG1 H 0.73 0.01 2 603 . 57 VAL HG2 H 0.86 0.01 2 604 . 57 VAL CG1 C 20.9 0.1 1 605 . 57 VAL CG2 C 22.1 0.1 1 606 . 58 ARG N N 118.6 0.1 1 607 . 58 ARG H H 7.62 0.01 1 608 . 58 ARG CA C 57.8 0.1 1 609 . 58 ARG HA H 4.28 0.01 1 610 . 58 ARG CB C 30.1 0.1 1 611 . 58 ARG HB2 H 1.80 0.01 1 612 . 58 ARG HB3 H 1.80 0.01 1 613 . 58 ARG CG C 28.1 0.1 1 614 . 58 ARG HG2 H 1.71 0.01 1 615 . 58 ARG HG3 H 1.71 0.01 1 616 . 58 ARG CD C 43.9 0.1 1 617 . 58 ARG HD2 H 3.16 0.01 1 618 . 58 ARG HD3 H 3.16 0.01 1 619 . 58 ARG NE N 84.5 0.1 1 620 . 58 ARG HE H 6.95 0.01 1 621 . 59 ASP N N 119.8 0.1 1 622 . 59 ASP H H 8.14 0.01 1 623 . 59 ASP CA C 56.2 0.1 1 624 . 59 ASP HA H 4.35 0.01 1 625 . 59 ASP CB C 40.5 0.1 1 626 . 59 ASP HB2 H 2.48 0.01 2 627 . 59 ASP HB3 H 2.79 0.01 2 628 . 60 ILE N N 118.5 0.1 1 629 . 60 ILE H H 7.10 0.01 1 630 . 60 ILE CA C 63.8 0.1 1 631 . 60 ILE HA H 3.54 0.01 1 632 . 60 ILE CB C 38.5 0.1 1 633 . 60 ILE HB H 1.56 0.01 1 634 . 60 ILE HG2 H 0.64 0.01 1 635 . 60 ILE CG2 C 17.0 0.1 1 636 . 60 ILE CG1 C 29.0 0.1 1 637 . 60 ILE HG12 H 0.42 0.01 2 638 . 60 ILE HG13 H 1.58 0.01 2 639 . 60 ILE HD1 H 0.28 0.01 1 640 . 60 ILE CD1 C 12.8 0.1 1 641 . 61 ASP N N 116.2 0.1 1 642 . 61 ASP H H 7.36 0.01 1 643 . 61 ASP CA C 51.0 0.1 1 644 . 61 ASP HA H 4.87 0.01 1 645 . 61 ASP CB C 42.8 0.1 1 646 . 61 ASP HB2 H 2.59 0.01 2 647 . 61 ASP HB3 H 2.74 0.01 2 648 . 62 PRO CD C 50.8 0.1 1 649 . 62 PRO CA C 64.4 0.1 1 650 . 62 PRO HA H 4.61 0.01 1 651 . 62 PRO CB C 32.0 0.1 1 652 . 62 PRO HB2 H 2.00 0.01 2 653 . 62 PRO HB3 H 2.40 0.01 2 654 . 62 PRO CG C 26.7 0.1 1 655 . 62 PRO HG2 H 2.11 0.01 2 656 . 62 PRO HG3 H 1.98 0.01 2 657 . 62 PRO HD2 H 3.91 0.01 2 658 . 62 PRO HD3 H 3.62 0.01 2 659 . 63 GLN N N 115.5 0.1 1 660 . 63 GLN H H 8.15 0.01 1 661 . 63 GLN CA C 55.2 0.1 1 662 . 63 GLN HA H 4.39 0.01 1 663 . 63 GLN CB C 28.5 0.1 1 664 . 63 GLN HB2 H 1.89 0.01 2 665 . 63 GLN HB3 H 2.27 0.01 2 666 . 63 GLN CG C 34.1 0.1 1 667 . 63 GLN HG2 H 2.31 0.01 2 668 . 63 GLN HG3 H 2.38 0.01 2 669 . 63 GLN NE2 N 112.1 0.1 1 670 . 63 GLN HE21 H 7.57 0.01 2 671 . 63 GLN HE22 H 6.84 0.01 2 672 . 64 ASN N N 120.4 0.1 1 673 . 64 ASN H H 8.19 0.01 1 674 . 64 ASN CA C 50.1 0.1 1 675 . 64 ASN HA H 4.85 0.01 1 676 . 64 ASN CB C 40.8 0.1 1 677 . 64 ASN HB2 H 2.96 0.01 2 678 . 64 ASN HB3 H 2.65 0.01 2 679 . 64 ASN ND2 N 111.2 0.1 1 680 . 64 ASN HD21 H 8.28 0.01 2 681 . 64 ASN HD22 H 7.64 0.01 2 682 . 65 ASP N N 115.3 0.1 1 683 . 65 ASP H H 7.83 0.01 1 684 . 65 ASP CA C 53.1 0.1 1 685 . 65 ASP HA H 4.74 0.01 1 686 . 65 ASP CB C 44.1 0.1 1 687 . 65 ASP HB2 H 2.45 0.01 2 688 . 65 ASP HB3 H 2.55 0.01 2 689 . 66 LEU N N 122.8 0.1 1 690 . 66 LEU H H 8.94 0.01 1 691 . 66 LEU CA C 55.4 0.1 1 692 . 66 LEU HA H 4.12 0.01 1 693 . 66 LEU CB C 44.6 0.1 1 694 . 66 LEU HB2 H 1.27 0.01 2 695 . 66 LEU HB3 H 1.75 0.01 2 696 . 66 LEU CG C 26.7 0.1 1 697 . 66 LEU HG H 1.48 0.01 1 698 . 66 LEU HD1 H 0.72 0.01 2 699 . 66 LEU HD2 H 0.87 0.01 2 700 . 66 LEU CD1 C 26.0 0.1 1 701 . 66 LEU CD2 C 25.4 0.1 1 702 . 67 THR N N 119.6 0.1 1 703 . 67 THR H H 9.53 0.01 1 704 . 67 THR CA C 63.2 0.1 1 705 . 67 THR HA H 4.55 0.01 1 706 . 67 THR CB C 69.3 0.1 1 707 . 67 THR HB H 4.01 0.01 1 708 . 67 THR HG2 H 1.15 0.01 1 709 . 67 THR CG2 C 22.5 0.1 1 710 . 68 PHE N N 117.3 0.1 1 711 . 68 PHE H H 7.99 0.01 1 712 . 68 PHE CA C 59.0 0.1 1 713 . 68 PHE HA H 5.00 0.01 1 714 . 68 PHE CB C 42.3 0.1 1 715 . 68 PHE HB2 H 3.11 0.01 2 716 . 68 PHE HB3 H 3.39 0.01 2 717 . 68 PHE HD1 H 7.20 0.01 1 718 . 68 PHE HD2 H 7.20 0.01 1 719 . 68 PHE HE1 H 7.27 0.01 1 720 . 68 PHE HE2 H 7.27 0.01 1 721 . 68 PHE CD1 C 132.3 0.1 1 722 . 68 PHE CE1 C 131.1 0.1 1 723 . 68 PHE CZ C 129.5 0.1 1 724 . 68 PHE HZ H 7.19 0.01 1 725 . 69 LEU N N 123.1 0.1 1 726 . 69 LEU H H 8.64 0.01 1 727 . 69 LEU CA C 54.0 0.1 1 728 . 69 LEU HA H 5.36 0.01 1 729 . 69 LEU CB C 46.9 0.1 1 730 . 69 LEU HB2 H 1.62 0.01 2 731 . 69 LEU HB3 H 1.67 0.01 2 732 . 69 LEU CG C 27.0 0.1 1 733 . 69 LEU HG H 1.70 0.01 1 734 . 69 LEU HD1 H 0.89 0.01 2 735 . 69 LEU HD2 H 0.84 0.01 2 736 . 69 LEU CD1 C 25.3 0.1 1 737 . 69 LEU CD2 C 26.4 0.1 1 738 . 70 ARG N N 122.6 0.1 1 739 . 70 ARG H H 9.32 0.01 1 740 . 70 ARG CA C 55.3 0.1 1 741 . 70 ARG HA H 5.50 0.01 1 742 . 70 ARG CB C 34.7 0.1 1 743 . 70 ARG HB2 H 2.01 0.01 2 744 . 70 ARG HB3 H 1.86 0.01 2 745 . 70 ARG CG C 28.0 0.1 1 746 . 70 ARG HG2 H 1.59 0.01 2 747 . 70 ARG HG3 H 1.76 0.01 2 748 . 70 ARG CD C 43.8 0.1 1 749 . 70 ARG HD2 H 3.19 0.01 2 750 . 70 ARG HD3 H 3.37 0.01 2 751 . 70 ARG NE N 83.5 0.1 1 752 . 70 ARG HE H 7.57 0.01 1 753 . 71 ILE N N 124.7 0.1 1 754 . 71 ILE H H 9.63 0.01 1 755 . 71 ILE CA C 60.4 0.1 1 756 . 71 ILE HA H 4.64 0.01 1 757 . 71 ILE CB C 40.8 0.1 1 758 . 71 ILE HB H 1.89 0.01 1 759 . 71 ILE HG2 H 0.76 0.01 1 760 . 71 ILE CG2 C 17.5 0.1 1 761 . 71 ILE CG1 C 27.6 0.1 1 762 . 71 ILE HG12 H 1.55 0.01 2 763 . 71 ILE HG13 H 0.88 0.01 2 764 . 71 ILE HD1 H 0.63 0.01 1 765 . 71 ILE CD1 C 14.6 0.1 1 766 . 72 ARG N N 129.7 0.1 1 767 . 72 ARG H H 9.28 0.01 1 768 . 72 ARG CA C 55.3 0.1 1 769 . 72 ARG HA H 4.88 0.01 1 770 . 72 ARG CB C 31.9 0.1 1 771 . 72 ARG HB2 H 1.48 0.01 1 772 . 72 ARG HB3 H 1.48 0.01 1 773 . 72 ARG CG C 27.7 0.1 1 774 . 72 ARG HG2 H 1.57 0.01 1 775 . 72 ARG HG3 H 1.57 0.01 1 776 . 72 ARG CD C 43.2 0.1 1 777 . 72 ARG HD2 H 3.16 0.01 1 778 . 72 ARG HD3 H 3.16 0.01 1 779 . 72 ARG NE N 84.5 0.1 1 780 . 72 ARG HE H 7.44 0.01 1 781 . 73 SER N N 124.8 0.1 1 782 . 73 SER H H 9.25 0.01 1 783 . 73 SER CA C 56.9 0.1 1 784 . 73 SER HA H 5.45 0.01 1 785 . 73 SER CB C 66.7 0.1 1 786 . 73 SER HB2 H 3.68 0.01 2 787 . 73 SER HB3 H 4.38 0.01 2 788 . 74 LYS N N 118.1 0.1 1 789 . 74 LYS H H 8.24 0.01 1 790 . 74 LYS CA C 59.2 0.1 1 791 . 74 LYS HA H 4.12 0.01 1 792 . 74 LYS CB C 32.6 0.1 1 793 . 74 LYS HB2 H 2.13 0.01 2 794 . 74 LYS HB3 H 2.01 0.01 2 795 . 74 LYS CG C 25.3 0.1 1 796 . 74 LYS HG2 H 1.44 0.01 2 797 . 74 LYS HG3 H 1.59 0.01 2 798 . 74 LYS CD C 29.2 0.1 1 799 . 74 LYS HD2 H 1.73 0.01 1 800 . 74 LYS HD3 H 1.73 0.01 1 801 . 74 LYS CE C 41.8 0.1 1 802 . 74 LYS HE2 H 2.95 0.01 1 803 . 74 LYS HE3 H 2.95 0.01 1 804 . 75 LYS N N 112.8 0.1 1 805 . 75 LYS H H 7.89 0.01 1 806 . 75 LYS CA C 56.8 0.1 1 807 . 75 LYS HA H 4.36 0.01 1 808 . 75 LYS CB C 35.4 0.1 1 809 . 75 LYS HB2 H 1.42 0.01 2 810 . 75 LYS HB3 H 1.86 0.01 2 811 . 75 LYS CG C 25.5 0.1 1 812 . 75 LYS HG2 H 1.23 0.01 2 813 . 75 LYS HG3 H 1.33 0.01 2 814 . 75 LYS CD C 28.9 0.1 1 815 . 75 LYS HD2 H 1.51 0.01 1 816 . 75 LYS HD3 H 1.51 0.01 1 817 . 75 LYS CE C 41.8 0.1 1 818 . 75 LYS HE2 H 2.71 0.01 2 819 . 75 LYS HE3 H 2.86 0.01 2 820 . 76 ASN N N 112.8 0.1 1 821 . 76 ASN H H 7.73 0.01 1 822 . 76 ASN CA C 52.5 0.1 1 823 . 76 ASN HA H 4.66 0.01 1 824 . 76 ASN CB C 39.4 0.1 1 825 . 76 ASN HB2 H 2.74 0.01 2 826 . 76 ASN HB3 H 3.16 0.01 2 827 . 76 ASN ND2 N 112.0 0.1 1 828 . 76 ASN HD21 H 7.51 0.01 2 829 . 76 ASN HD22 H 6.47 0.01 2 830 . 77 GLU N N 118.2 0.1 1 831 . 77 GLU H H 9.02 0.01 1 832 . 77 GLU CA C 55.4 0.1 1 833 . 77 GLU HA H 5.25 0.01 1 834 . 77 GLU CB C 33.9 0.1 1 835 . 77 GLU HB2 H 1.90 0.01 2 836 . 77 GLU HB3 H 1.96 0.01 2 837 . 77 GLU CG C 37.1 0.1 1 838 . 77 GLU HG2 H 2.09 0.01 1 839 . 77 GLU HG3 H 2.09 0.01 1 840 . 78 ILE N N 124.7 0.1 1 841 . 78 ILE H H 9.04 0.01 1 842 . 78 ILE CA C 59.6 0.1 1 843 . 78 ILE HA H 5.06 0.01 1 844 . 78 ILE CB C 41.0 0.1 1 845 . 78 ILE HB H 1.64 0.01 1 846 . 78 ILE HG2 H 0.78 0.01 1 847 . 78 ILE CG2 C 17.9 0.1 1 848 . 78 ILE CG1 C 27.3 0.1 1 849 . 78 ILE HG12 H 1.62 0.01 2 850 . 78 ILE HG13 H 0.89 0.01 2 851 . 78 ILE HD1 H 0.85 0.01 1 852 . 78 ILE CD1 C 14.0 0.1 1 853 . 79 MET N N 127.2 0.1 1 854 . 79 MET H H 9.44 0.01 1 855 . 79 MET CA C 53.8 0.1 1 856 . 79 MET HA H 5.36 0.01 1 857 . 79 MET CB C 35.2 0.1 1 858 . 79 MET HB2 H 2.02 0.01 2 859 . 79 MET HB3 H 2.10 0.01 2 860 . 79 MET CG C 32.3 0.1 1 861 . 79 MET HG2 H 2.49 0.01 2 862 . 79 MET HG3 H 2.44 0.01 2 863 . 79 MET HE H 1.93 0.01 1 864 . 79 MET CE C 16.9 0.1 1 865 . 80 VAL N N 122.6 0.1 1 866 . 80 VAL H H 8.97 0.01 1 867 . 80 VAL CA C 60.2 0.1 1 868 . 80 VAL HA H 5.35 0.01 1 869 . 80 VAL CB C 34.4 0.1 1 870 . 80 VAL HB H 1.96 0.01 1 871 . 80 VAL HG1 H 0.83 0.01 2 872 . 80 VAL HG2 H 0.89 0.01 2 873 . 80 VAL CG1 C 21.2 0.1 1 874 . 80 VAL CG2 C 21.2 0.1 1 875 . 81 ALA N N 128.5 0.1 1 876 . 81 ALA H H 8.95 0.01 1 877 . 81 ALA CA C 48.4 0.1 1 878 . 81 ALA HA H 5.25 0.01 1 879 . 81 ALA HB H 1.54 0.01 1 880 . 81 ALA CB C 21.6 0.1 1 881 . 82 PRO CD C 50.8 0.1 1 882 . 82 PRO CA C 62.2 0.1 1 883 . 82 PRO HA H 4.57 0.01 1 884 . 82 PRO CB C 32.4 0.1 1 885 . 82 PRO HB2 H 2.06 0.01 2 886 . 82 PRO HB3 H 1.97 0.01 2 887 . 82 PRO CG C 26.9 0.1 1 888 . 82 PRO HG2 H 1.77 0.01 2 889 . 82 PRO HG3 H 2.12 0.01 2 890 . 82 PRO HD2 H 3.56 0.01 2 891 . 82 PRO HD3 H 4.06 0.01 2 892 . 83 ASP N N 123.8 0.1 1 893 . 83 ASP H H 8.22 0.01 1 894 . 83 ASP CA C 53.7 0.1 1 895 . 83 ASP HA H 4.56 0.01 1 896 . 83 ASP CB C 43.1 0.1 1 897 . 83 ASP HB2 H 2.31 0.01 1 898 . 83 ASP HB3 H 2.31 0.01 1 899 . 84 LYS N N 121.4 0.1 1 900 . 84 LYS H H 8.93 0.01 1 901 . 84 LYS CA C 58.6 0.1 1 902 . 84 LYS HA H 3.68 0.01 1 903 . 84 LYS CB C 30.2 0.1 1 904 . 84 LYS HB2 H 1.60 0.01 2 905 . 84 LYS HB3 H 1.75 0.01 2 906 . 84 LYS CG C 24.6 0.1 1 907 . 84 LYS HG2 H 1.28 0.01 2 908 . 84 LYS HG3 H 1.34 0.01 2 909 . 84 LYS CD C 28.6 0.1 1 910 . 84 LYS HD2 H 1.54 0.01 2 911 . 84 LYS HD3 H 1.43 0.01 2 912 . 84 LYS CE C 41.8 0.1 1 913 . 84 LYS HE2 H 2.89 0.01 1 914 . 84 LYS HE3 H 2.89 0.01 1 915 . 85 ASP N N 119.1 0.1 1 916 . 85 ASP H H 8.41 0.01 1 917 . 85 ASP CA C 54.0 0.1 1 918 . 85 ASP HA H 4.57 0.01 1 919 . 85 ASP CB C 40.3 0.1 1 920 . 85 ASP HB2 H 2.63 0.01 2 921 . 85 ASP HB3 H 2.57 0.01 2 922 . 86 TYR N N 115.7 0.1 1 923 . 86 TYR H H 7.63 0.01 1 924 . 86 TYR CA C 54.7 0.1 1 925 . 86 TYR HA H 5.12 0.01 1 926 . 86 TYR CB C 40.4 0.1 1 927 . 86 TYR HB2 H 2.88 0.01 2 928 . 86 TYR HB3 H 3.00 0.01 2 929 . 86 TYR HD1 H 6.77 0.01 1 930 . 86 TYR HD2 H 6.77 0.01 1 931 . 86 TYR HE1 H 6.64 0.01 1 932 . 86 TYR HE2 H 6.64 0.01 1 933 . 86 TYR CD1 C 132.6 0.1 1 934 . 86 TYR CE1 C 118.0 0.1 1 935 . 87 PHE N N 115.8 0.1 1 936 . 87 PHE H H 9.33 0.01 1 937 . 87 PHE CA C 57.0 0.1 1 938 . 87 PHE HA H 5.02 0.01 1 939 . 87 PHE CB C 41.4 0.1 1 940 . 87 PHE HB2 H 2.68 0.01 2 941 . 87 PHE HB3 H 2.79 0.01 2 942 . 87 PHE HD1 H 6.90 0.01 1 943 . 87 PHE HD2 H 6.90 0.01 1 944 . 87 PHE HE1 H 7.18 0.01 1 945 . 87 PHE HE2 H 7.18 0.01 1 946 . 87 PHE CD1 C 131.3 0.1 1 947 . 87 PHE CE1 C 131.0 0.1 1 948 . 87 PHE CZ C 130.0 0.1 1 949 . 87 PHE HZ H 7.34 0.01 1 950 . 88 LEU N N 123.9 0.1 1 951 . 88 LEU H H 8.80 0.01 1 952 . 88 LEU CA C 54.3 0.1 1 953 . 88 LEU HA H 4.88 0.01 1 954 . 88 LEU CB C 44.0 0.1 1 955 . 88 LEU HB2 H 1.64 0.01 2 956 . 88 LEU HB3 H 1.77 0.01 2 957 . 88 LEU CG C 27.7 0.1 1 958 . 88 LEU HG H 1.64 0.01 1 959 . 88 LEU HD1 H 0.84 0.01 2 960 . 88 LEU HD2 H 0.87 0.01 2 961 . 88 LEU CD1 C 25.2 0.1 1 962 . 88 LEU CD2 C 25.1 0.1 1 963 . 89 ILE N N 124.3 0.1 1 964 . 89 ILE H H 9.29 0.01 1 965 . 89 ILE CA C 60.5 0.1 1 966 . 89 ILE HA H 4.88 0.01 1 967 . 89 ILE CB C 39.5 0.1 1 968 . 89 ILE HB H 2.03 0.01 1 969 . 89 ILE HG2 H 0.70 0.01 1 970 . 89 ILE CG2 C 17.4 0.1 1 971 . 89 ILE CG1 C 27.6 0.1 1 972 . 89 ILE HG12 H 1.58 0.01 2 973 . 89 ILE HG13 H 0.90 0.01 2 974 . 89 ILE HD1 H 0.81 0.01 1 975 . 89 ILE CD1 C 14.9 0.1 1 976 . 90 VAL N N 126.4 0.1 1 977 . 90 VAL H H 9.30 0.01 1 978 . 90 VAL CA C 61.0 0.1 1 979 . 90 VAL HA H 4.63 0.01 1 980 . 90 VAL CB C 34.7 0.1 1 981 . 90 VAL HB H 2.03 0.01 1 982 . 90 VAL HG1 H 0.93 0.01 1 983 . 90 VAL HG2 H 0.93 0.01 1 984 . 90 VAL CG1 C 21.5 0.1 1 985 . 90 VAL CG2 C 21.5 0.1 1 986 . 91 ILE N N 127.5 0.1 1 987 . 91 ILE H H 8.75 0.01 1 988 . 91 ILE CA C 60.9 0.1 1 989 . 91 ILE HA H 4.68 0.01 1 990 . 91 ILE CB C 39.0 0.1 1 991 . 91 ILE HB H 1.46 0.01 1 992 . 91 ILE HG2 H 0.71 0.01 1 993 . 91 ILE CG2 C 18.6 0.1 1 994 . 91 ILE CG1 C 28.7 0.1 1 995 . 91 ILE HG12 H 0.73 0.01 2 996 . 91 ILE HG13 H 1.10 0.01 2 997 . 91 ILE HD1 H 0.16 0.01 1 998 . 91 ILE CD1 C 14.2 0.1 1 999 . 92 GLN N N 125.5 0.1 1 1000 . 92 GLN H H 9.55 0.01 1 1001 . 92 GLN CA C 53.6 0.1 1 1002 . 92 GLN HA H 5.27 0.01 1 1003 . 92 GLN CB C 33.4 0.1 1 1004 . 92 GLN HB2 H 2.00 0.01 2 1005 . 92 GLN HB3 H 2.07 0.01 2 1006 . 92 GLN CG C 32.9 0.1 1 1007 . 92 GLN HG2 H 2.22 0.01 1 1008 . 92 GLN HG3 H 2.22 0.01 1 1009 . 92 GLN NE2 N 109.1 0.1 1 1010 . 92 GLN HE21 H 7.27 0.01 2 1011 . 92 GLN HE22 H 6.59 0.01 2 1012 . 93 ASN N N 120.6 0.1 1 1013 . 93 ASN H H 8.78 0.01 1 1014 . 93 ASN CA C 51.4 0.1 1 1015 . 93 ASN HA H 4.92 0.01 1 1016 . 93 ASN CB C 37.3 0.1 1 1017 . 93 ASN HB2 H 2.72 0.01 2 1018 . 93 ASN HB3 H 2.93 0.01 2 1019 . 93 ASN ND2 N 110.8 0.1 1 1020 . 93 ASN HD21 H 7.66 0.01 2 1021 . 93 ASN HD22 H 6.93 0.01 2 1022 . 94 PRO CD C 50.0 0.1 1 1023 . 94 PRO CA C 63.3 0.1 1 1024 . 94 PRO HA H 4.49 0.01 1 1025 . 94 PRO CB C 31.9 0.1 1 1026 . 94 PRO HB2 H 1.97 0.01 2 1027 . 94 PRO HB3 H 2.10 0.01 2 1028 . 94 PRO CG C 27.3 0.1 1 1029 . 94 PRO HG2 H 1.75 0.01 2 1030 . 94 PRO HG3 H 2.05 0.01 2 1031 . 94 PRO HD2 H 3.65 0.01 2 1032 . 94 PRO HD3 H 3.77 0.01 2 1033 . 95 THR N N 115.3 0.1 1 1034 . 95 THR H H 8.34 0.01 1 1035 . 95 THR CA C 61.7 0.1 1 1036 . 95 THR HA H 4.28 0.01 1 1037 . 95 THR CB C 70.1 0.1 1 1038 . 95 THR HB H 4.22 0.01 1 1039 . 95 THR HG2 H 1.18 0.01 1 1040 . 95 THR CG2 C 21.5 0.1 1 1041 . 96 GLU N N 126.8 0.1 1 1042 . 96 GLU H H 7.91 0.01 1 1043 . 96 GLU CA C 57.9 0.1 1 1044 . 96 GLU HA H 4.09 0.01 1 1045 . 96 GLU CB C 31.0 0.1 1 1046 . 96 GLU HB2 H 1.84 0.01 2 1047 . 96 GLU HB3 H 2.02 0.01 2 1048 . 96 GLU CG C 36.3 0.1 1 1049 . 96 GLU HG2 H 2.14 0.01 1 1050 . 96 GLU HG3 H 2.14 0.01 1 stop_ save_