data_6781 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignments for the ADA2-like Swirm domain ; _BMRB_accession_number 6781 _BMRB_flat_file_name bmr6781.str _Entry_type original _Submission_date 2005-08-17 _Accession_date 2005-08-17 _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 Qian Chengmin . . 2 Zeng Lei . . 3 Zhang Qiang . . 4 Zhou Ming-Ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 460 "13C chemical shifts" 282 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-09-11 original author . stop_ _Original_release_date 2006-09-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance Assignments for the ADA2-like Swirm domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16299514 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qian Chengmin . . 2 Zhang Qiang . . 3 Li S. . . 4 Zeng Lei . . 5 Walsh M. J. . 6 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 12 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1078 _Page_last 1085 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ada2 swirm domain polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ada2 swirm domain polypeptide' $ADA2_swirm_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ADA2_swirm_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ADA2 swirm domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSNSGRRSAPPLNLTGLPGT EKLNEKEKELCQVVRLVPGA YLEYKSALLNECHKQGGLRL AQARALIKIDVNKTRKIYDF LIREGYITKA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASN 4 SER 5 GLY 6 ARG 7 ARG 8 SER 9 ALA 10 PRO 11 PRO 12 LEU 13 ASN 14 LEU 15 THR 16 GLY 17 LEU 18 PRO 19 GLY 20 THR 21 GLU 22 LYS 23 LEU 24 ASN 25 GLU 26 LYS 27 GLU 28 LYS 29 GLU 30 LEU 31 CYS 32 GLN 33 VAL 34 VAL 35 ARG 36 LEU 37 VAL 38 PRO 39 GLY 40 ALA 41 TYR 42 LEU 43 GLU 44 TYR 45 LYS 46 SER 47 ALA 48 LEU 49 LEU 50 ASN 51 GLU 52 CYS 53 HIS 54 LYS 55 GLN 56 GLY 57 GLY 58 LEU 59 ARG 60 LEU 61 ALA 62 GLN 63 ALA 64 ARG 65 ALA 66 LEU 67 ILE 68 LYS 69 ILE 70 ASP 71 VAL 72 ASN 73 LYS 74 THR 75 ARG 76 LYS 77 ILE 78 TYR 79 ASP 80 PHE 81 LEU 82 ILE 83 ARG 84 GLU 85 GLY 86 TYR 87 ILE 88 THR 89 LYS 90 ALA 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 PDB 2AQE "Structural And Functional Analysis Of Ada2 Alpha Swirm Domain" 100.00 90 100.00 100.00 3.66e-57 PDB 2AQF "Structural And Functional Analysis Of Ada2 Alpha Swirm Domain" 100.00 90 100.00 100.00 3.66e-57 PDB 2CUJ "Solution Structure Of Swirm Domain Of Mouse Transcriptional Adaptor 2-Like" 98.89 108 100.00 100.00 1.19e-56 DBJ BAC38925 "unnamed protein product [Mus musculus]" 100.00 125 98.89 98.89 8.87e-57 DBJ BAE34272 "unnamed protein product [Mus musculus]" 100.00 443 98.89 98.89 2.09e-53 GB AAH25448 "Tada2l protein, partial [Mus musculus]" 100.00 312 98.89 98.89 4.41e-53 GB AAH38821 "Transcriptional adaptor 2 (ADA2 homolog, yeast)-like [Mus musculus]" 100.00 443 98.89 98.89 2.50e-53 GB AAH79084 "Transcriptional adaptor 2 (ADA2 homolog, yeast)-like [Rattus norvegicus]" 100.00 443 98.89 98.89 2.09e-53 GB AAI02759 "Transcriptional adaptor 2 (ADA2 homolog, yeast)-like [Bos taurus]" 98.89 443 97.75 100.00 7.89e-52 GB ABL63422 "transcriptional adapter 2-like protein [Rattus norvegicus]" 100.00 443 98.89 98.89 2.09e-53 REF NP_001012141 "transcriptional adapter 2-alpha [Rattus norvegicus]" 100.00 443 98.89 98.89 2.09e-53 REF NP_001029416 "transcriptional adapter 2-alpha [Bos taurus]" 98.89 443 97.75 100.00 7.89e-52 REF NP_766150 "transcriptional adapter 2-alpha [Mus musculus]" 100.00 443 98.89 98.89 2.50e-53 REF XP_003512470 "PREDICTED: transcriptional adapter 2-alpha [Cricetulus griseus]" 100.00 443 97.78 98.89 3.12e-52 REF XP_004012486 "PREDICTED: transcriptional adapter 2-alpha [Ovis aries]" 98.89 443 97.75 100.00 9.24e-52 SP Q3SZP8 "RecName: Full=Transcriptional adapter 2-alpha; AltName: Full=Transcriptional adapter 2-like; Short=ADA2-like protein [Bos tauru" 98.89 443 97.75 100.00 7.89e-52 SP Q6AYE3 "RecName: Full=Transcriptional adapter 2-alpha; AltName: Full=Transcriptional adapter 2-like; Short=ADA2-like protein [Rattus no" 100.00 443 98.89 98.89 2.09e-53 SP Q8CHV6 "RecName: Full=Transcriptional adapter 2-alpha; AltName: Full=Transcriptional adapter 2-like; Short=ADA2-like protein [Mus muscu" 100.00 443 98.89 98.89 2.50e-53 TPG DAA19118 "TPA: transcriptional adapter 2-alpha [Bos taurus]" 98.89 443 97.75 100.00 7.89e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ADA2_swirm_domain mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ADA2_swirm_domain 'recombinant technology' . . . . . 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 $ADA2_swirm_domain 0.5 mM '[U-13C; U-15N]' NaPi 50 mM . NaCl 100 mM . DTT 2 mM . EDTA 0.02 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_1 save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_3D_15N-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY' _Sample_label $sample_1 save_ save_13C-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; 50 mM NaPi, pH=6.5 100mM NaCl, 2mM DTT 0.02mM EDTA ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . . temperature 278 0.1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_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 'ada2 swirm domain polypeptide' _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 3 3 ASN CA C 53.72 0.30 1 2 3 3 ASN CB C 39.17 0.30 1 3 4 4 SER H H 8.39 0.03 1 4 4 4 SER HA H 4.43 0.03 1 5 4 4 SER HB2 H 3.92 0.03 1 6 4 4 SER CA C 59.11 0.30 1 7 4 4 SER CB C 63.69 0.30 1 8 4 4 SER N N 116.27 0.30 1 9 5 5 GLY H H 8.50 0.03 1 10 5 5 GLY HA2 H 3.98 0.03 1 11 5 5 GLY CA C 45.60 0.30 1 12 5 5 GLY N N 110.83 0.30 1 13 6 6 ARG H H 8.17 0.03 1 14 6 6 ARG HA H 4.36 0.03 1 15 6 6 ARG HB2 H 1.87 0.03 1 16 6 6 ARG HB3 H 1.79 0.03 1 17 6 6 ARG HG2 H 1.64 0.03 1 18 6 6 ARG CA C 56.23 0.30 1 19 6 6 ARG CB C 31.02 0.30 1 20 6 6 ARG N N 120.73 0.30 1 21 7 7 ARG H H 8.54 0.03 1 22 7 7 ARG HA H 4.41 0.03 1 23 7 7 ARG HB2 H 1.91 0.03 1 24 7 7 ARG HB3 H 1.80 0.03 1 25 7 7 ARG HG2 H 1.66 0.03 1 26 7 7 ARG CA C 56.34 0.30 1 27 7 7 ARG CB C 31.15 0.30 1 28 7 7 ARG N N 122.87 0.30 1 29 8 8 SER H H 8.40 0.03 1 30 8 8 SER HA H 4.45 0.03 1 31 8 8 SER HB2 H 3.87 0.03 1 32 8 8 SER CA C 58.29 0.30 1 33 8 8 SER CB C 64.09 0.30 1 34 8 8 SER N N 117.59 0.30 1 35 9 9 ALA H H 8.37 0.03 1 36 9 9 ALA HA H 4.64 0.03 1 37 9 9 ALA HB H 1.36 0.03 1 38 9 9 ALA CA C 50.63 0.30 1 39 9 9 ALA CB C 18.36 0.30 1 40 9 9 ALA N N 122.90 0.30 1 41 10 10 PRO HA H 4.72 0.03 1 42 10 10 PRO HB2 H 2.37 0.03 1 43 10 10 PRO HB3 H 1.92 0.03 1 44 10 10 PRO HG2 H 2.04 0.03 1 45 10 10 PRO HD2 H 3.81 0.03 1 46 10 10 PRO HD3 H 3.65 0.03 1 47 10 10 PRO CA C 61.74 0.30 1 48 10 10 PRO CB C 30.91 0.30 1 49 10 10 PRO CG C 27.55 0.30 1 50 10 10 PRO CD C 50.65 0.30 1 51 11 11 PRO HA H 4.46 0.03 1 52 11 11 PRO HB2 H 2.21 0.03 1 53 11 11 PRO HB3 H 1.84 0.03 1 54 11 11 PRO HG2 H 2.03 0.03 1 55 11 11 PRO HD2 H 3.80 0.03 1 56 11 11 PRO HD3 H 3.66 0.03 1 57 11 11 PRO CB C 32.34 0.30 1 58 11 11 PRO CG C 27.45 0.30 1 59 11 11 PRO CD C 50.63 0.30 1 60 12 12 LEU H H 8.55 0.03 1 61 12 12 LEU HA H 4.24 0.03 1 62 12 12 LEU HB2 H 1.63 0.03 1 63 12 12 LEU HB3 H 1.40 0.03 1 64 12 12 LEU HG H 1.48 0.03 1 65 12 12 LEU HD1 H 0.71 0.03 1 66 12 12 LEU HD2 H 0.85 0.03 1 67 12 12 LEU CA C 55.29 0.30 1 68 12 12 LEU CB C 43.68 0.30 1 69 12 12 LEU CG C 27.22 0.30 1 70 12 12 LEU CD1 C 24.99 0.30 1 71 12 12 LEU CD2 C 24.25 0.30 1 72 12 12 LEU N N 123.14 0.30 1 73 13 13 ASN H H 8.50 0.03 1 74 13 13 ASN HA H 4.72 0.03 1 75 13 13 ASN HB2 H 2.94 0.03 1 76 13 13 ASN HB3 H 2.77 0.03 1 77 13 13 ASN CA C 52.78 0.30 1 78 13 13 ASN CB C 38.58 0.30 1 79 13 13 ASN N N 122.07 0.30 1 80 14 14 LEU H H 8.70 0.03 1 81 14 14 LEU HA H 4.32 0.03 1 82 14 14 LEU HB2 H 1.74 0.03 1 83 14 14 LEU HG H 1.73 0.03 1 84 14 14 LEU HD1 H 0.76 0.03 1 85 14 14 LEU HD2 H 0.95 0.03 1 86 14 14 LEU CA C 55.31 0.30 1 87 14 14 LEU CB C 41.98 0.30 1 88 14 14 LEU CG C 27.26 0.30 1 89 14 14 LEU CD1 C 23.35 0.30 1 90 14 14 LEU CD2 C 26.00 0.30 1 91 14 14 LEU N N 123.63 0.30 1 92 15 15 THR H H 8.13 0.03 1 93 15 15 THR HA H 4.02 0.03 1 94 15 15 THR HB H 4.14 0.03 1 95 15 15 THR HG2 H 1.24 0.03 1 96 15 15 THR CA C 64.57 0.30 1 97 15 15 THR CB C 69.11 0.30 1 98 15 15 THR CG2 C 21.61 0.30 1 99 15 15 THR N N 115.65 0.30 1 100 16 16 GLY H H 8.81 0.03 1 101 16 16 GLY HA2 H 4.07 0.03 1 102 16 16 GLY HA3 H 3.87 0.03 1 103 16 16 GLY CA C 45.36 0.30 1 104 16 16 GLY N N 113.31 0.30 1 105 17 17 LEU H H 7.82 0.03 1 106 17 17 LEU HA H 4.68 0.03 1 107 17 17 LEU HB2 H 1.75 0.03 1 108 17 17 LEU HB3 H 1.49 0.03 1 109 17 17 LEU HG H 1.67 0.03 1 110 17 17 LEU HD1 H 0.95 0.03 1 111 17 17 LEU HD2 H 0.99 0.03 1 112 17 17 LEU CA C 53.17 0.30 1 113 17 17 LEU CB C 40.98 0.30 1 114 17 17 LEU CG C 27.15 0.30 1 115 17 17 LEU CD1 C 22.71 0.30 1 116 17 17 LEU CD2 C 26.64 0.30 1 117 17 17 LEU N N 121.47 0.30 1 118 18 18 PRO HA H 4.46 0.03 1 119 18 18 PRO HB2 H 2.33 0.03 1 120 18 18 PRO HB3 H 1.93 0.03 1 121 18 18 PRO HG2 H 2.14 0.03 1 122 18 18 PRO HD2 H 3.96 0.03 1 123 18 18 PRO HD3 H 3.68 0.03 1 124 18 18 PRO CA C 64.03 0.30 1 125 18 18 PRO CB C 31.89 0.30 1 126 18 18 PRO CG C 27.95 0.30 1 127 18 18 PRO CD C 50.87 0.30 1 128 19 19 GLY H H 8.83 0.03 1 129 19 19 GLY HA2 H 4.10 0.03 1 130 19 19 GLY HA3 H 3.61 0.03 1 131 19 19 GLY CA C 45.84 0.30 1 132 19 19 GLY N N 112.04 0.30 1 133 20 20 THR H H 7.85 0.03 1 134 20 20 THR HA H 3.75 0.03 1 135 20 20 THR HB H 4.24 0.03 1 136 20 20 THR HG2 H 1.22 0.03 1 137 20 20 THR CA C 66.16 0.30 1 138 20 20 THR CB C 69.11 0.30 1 139 20 20 THR CG2 C 23.29 0.30 1 140 20 20 THR N N 116.18 0.30 1 141 21 21 GLU H H 9.41 0.03 1 142 21 21 GLU HA H 4.33 0.03 1 143 21 21 GLU HB2 H 2.12 0.03 1 144 21 21 GLU HG2 H 2.43 0.03 1 145 21 21 GLU HG3 H 2.18 0.03 1 146 21 21 GLU CA C 58.02 0.30 1 147 21 21 GLU CB C 28.49 0.30 1 148 21 21 GLU CG C 36.08 0.30 1 149 21 21 GLU N N 120.00 0.30 1 150 22 22 LYS H H 7.91 0.03 1 151 22 22 LYS HA H 4.36 0.03 1 152 22 22 LYS HB2 H 2.00 0.03 1 153 22 22 LYS HB3 H 1.89 0.03 1 154 22 22 LYS HG2 H 1.44 0.03 1 155 22 22 LYS HD2 H 1.64 0.03 1 156 22 22 LYS HE2 H 2.99 0.03 1 157 22 22 LYS CA C 56.05 0.30 1 158 22 22 LYS CB C 33.35 0.30 1 159 22 22 LYS CG C 25.48 0.30 1 160 22 22 LYS CE C 42.15 0.30 1 161 22 22 LYS N N 119.86 0.30 1 162 23 23 LEU H H 7.59 0.03 1 163 23 23 LEU HA H 4.60 0.03 1 164 23 23 LEU HB2 H 1.84 0.03 1 165 23 23 LEU HB3 H 1.65 0.03 1 166 23 23 LEU HG H 1.93 0.03 1 167 23 23 LEU HD1 H 0.82 0.03 1 168 23 23 LEU HD2 H 0.85 0.03 1 169 23 23 LEU CA C 54.32 0.30 1 170 23 23 LEU CB C 43.72 0.30 1 171 23 23 LEU CG C 27.45 0.30 1 172 23 23 LEU CD1 C 24.02 0.30 1 173 23 23 LEU CD2 C 26.96 0.30 1 174 23 23 LEU N N 120.20 0.30 1 175 24 24 ASN H H 9.16 0.03 1 176 24 24 ASN HA H 4.99 0.03 1 177 24 24 ASN HB2 H 3.46 0.03 1 178 24 24 ASN HB3 H 2.99 0.03 1 179 24 24 ASN CA C 51.55 0.30 1 180 24 24 ASN CB C 38.47 0.30 1 181 24 24 ASN N N 120.13 0.30 1 182 25 25 GLU H H 8.71 0.03 1 183 25 25 GLU HA H 3.93 0.03 1 184 25 25 GLU HB2 H 2.12 0.03 1 185 25 25 GLU HG2 H 2.43 0.03 1 186 25 25 GLU CA C 60.66 0.30 1 187 25 25 GLU CB C 29.67 0.30 1 188 25 25 GLU CG C 36.52 0.30 1 189 25 25 GLU N N 117.59 0.30 1 190 26 26 LYS H H 8.14 0.03 1 191 26 26 LYS HA H 4.23 0.03 1 192 26 26 LYS HB2 H 2.24 0.03 1 193 26 26 LYS HB3 H 2.08 0.03 1 194 26 26 LYS HG2 H 1.73 0.03 1 195 26 26 LYS HG3 H 1.59 0.03 1 196 26 26 LYS HE2 H 3.04 0.03 1 197 26 26 LYS CA C 59.50 0.30 1 198 26 26 LYS CB C 32.58 0.30 1 199 26 26 LYS CG C 26.06 0.30 1 200 26 26 LYS N N 119.26 0.30 1 201 27 27 GLU H H 8.50 0.03 1 202 27 27 GLU HA H 3.45 0.03 1 203 27 27 GLU HB2 H 2.36 0.03 1 204 27 27 GLU HB3 H 1.62 0.03 1 205 27 27 GLU HG2 H 2.90 0.03 1 206 27 27 GLU HG3 H 2.28 0.03 1 207 27 27 GLU CA C 59.01 0.30 1 208 27 27 GLU CB C 31.40 0.30 1 209 27 27 GLU CG C 38.30 0.30 1 210 27 27 GLU N N 121.20 0.30 1 211 28 28 LYS H H 8.37 0.03 1 212 28 28 LYS HA H 3.66 0.03 1 213 28 28 LYS HB2 H 1.90 0.03 1 214 28 28 LYS HB3 H 1.83 0.03 1 215 28 28 LYS HG2 H 1.62 0.03 1 216 28 28 LYS HG3 H 1.18 0.03 1 217 28 28 LYS HD2 H 1.68 0.03 1 218 28 28 LYS HD3 H 1.62 0.03 1 219 28 28 LYS HE2 H 2.90 0.03 1 220 28 28 LYS HE3 H 2.84 0.03 1 221 28 28 LYS CA C 60.83 0.30 1 222 28 28 LYS CB C 32.38 0.30 1 223 28 28 LYS CG C 27.34 0.30 1 224 28 28 LYS CD C 29.92 0.30 1 225 28 28 LYS CE C 42.17 0.30 1 226 28 28 LYS N N 120.60 0.30 1 227 29 29 GLU H H 7.37 0.03 1 228 29 29 GLU HA H 4.01 0.03 1 229 29 29 GLU HB2 H 2.10 0.03 1 230 29 29 GLU HG2 H 2.38 0.03 1 231 29 29 GLU HG3 H 2.20 0.03 1 232 29 29 GLU CA C 59.50 0.30 1 233 29 29 GLU CB C 29.50 0.30 1 234 29 29 GLU CG C 36.33 0.30 1 235 29 29 GLU N N 118.47 0.30 1 236 30 30 LEU H H 7.53 0.03 1 237 30 30 LEU HA H 3.94 0.03 1 238 30 30 LEU HB2 H 1.37 0.03 1 239 30 30 LEU HB3 H 0.79 0.03 1 240 30 30 LEU HG H 1.05 0.03 1 241 30 30 LEU HD1 H 0.60 0.03 1 242 30 30 LEU HD2 H 0.21 0.03 1 243 30 30 LEU CA C 58.06 0.30 1 244 30 30 LEU CB C 41.26 0.30 1 245 30 30 LEU CD1 C 23.51 0.30 1 246 30 30 LEU CD2 C 26.22 0.30 1 247 30 30 LEU N N 120.47 0.30 1 248 31 31 CYS H H 8.03 0.03 1 249 31 31 CYS HA H 3.76 0.03 1 250 31 31 CYS HB2 H 3.23 0.03 1 251 31 31 CYS HB3 H 2.82 0.03 1 252 31 31 CYS CA C 65.91 0.30 1 253 31 31 CYS CB C 26.28 0.30 1 254 31 31 CYS N N 115.05 0.30 1 255 32 32 GLN H H 7.71 0.03 1 256 32 32 GLN HA H 4.17 0.03 1 257 32 32 GLN HB2 H 2.36 0.03 1 258 32 32 GLN HB3 H 2.14 0.03 1 259 32 32 GLN HG2 H 2.60 0.03 1 260 32 32 GLN HG3 H 2.54 0.03 1 261 32 32 GLN CA C 59.29 0.30 1 262 32 32 GLN CB C 28.93 0.30 1 263 32 32 GLN CG C 34.36 0.30 1 264 32 32 GLN N N 116.72 0.30 1 265 33 33 VAL H H 8.09 0.03 1 266 33 33 VAL HA H 3.84 0.03 1 267 33 33 VAL HB H 2.23 0.03 1 268 33 33 VAL HG1 H 0.99 0.03 1 269 33 33 VAL HG2 H 1.12 0.03 1 270 33 33 VAL CA C 66.24 0.30 1 271 33 33 VAL CB C 32.41 0.30 1 272 33 33 VAL CG1 C 21.35 0.30 1 273 33 33 VAL CG2 C 22.63 0.30 1 274 33 33 VAL N N 118.93 0.30 1 275 34 34 VAL H H 8.51 0.03 1 276 34 34 VAL HA H 4.10 0.03 1 277 34 34 VAL HB H 2.15 0.03 1 278 34 34 VAL HG1 H 0.99 0.03 1 279 34 34 VAL HG2 H 1.07 0.03 1 280 34 34 VAL CA C 62.42 0.30 1 281 34 34 VAL CB C 32.05 0.30 1 282 34 34 VAL CG1 C 22.81 0.30 1 283 34 34 VAL CG2 C 23.12 0.30 1 284 34 34 VAL N N 114.97 0.30 1 285 35 35 ARG H H 7.45 0.03 1 286 35 35 ARG HA H 3.81 0.03 1 287 35 35 ARG HB2 H 2.14 0.03 1 288 35 35 ARG HB3 H 1.82 0.03 1 289 35 35 ARG HG2 H 1.56 0.03 1 290 35 35 ARG HD2 H 3.32 0.03 1 291 35 35 ARG HD3 H 3.19 0.03 1 292 35 35 ARG CA C 57.04 0.30 1 293 35 35 ARG CB C 26.72 0.30 1 294 35 35 ARG CG C 27.70 0.30 1 295 35 35 ARG N N 117.32 0.30 1 296 36 36 LEU H H 8.31 0.03 1 297 36 36 LEU HA H 4.86 0.03 1 298 36 36 LEU HB2 H 1.59 0.03 1 299 36 36 LEU HB3 H 1.46 0.03 1 300 36 36 LEU HG H 1.65 0.03 1 301 36 36 LEU HD1 H 1.11 0.03 1 302 36 36 LEU HD2 H 0.99 0.03 1 303 36 36 LEU CA C 52.60 0.30 1 304 36 36 LEU CB C 46.44 0.30 1 305 36 36 LEU CG C 26.72 0.30 1 306 36 36 LEU CD1 C 24.95 0.30 1 307 36 36 LEU CD2 C 26.96 0.30 1 308 36 36 LEU N N 121.13 0.30 1 309 37 37 VAL H H 8.13 0.03 1 310 37 37 VAL HA H 4.28 0.03 1 311 37 37 VAL HB H 2.36 0.03 1 312 37 37 VAL HG1 H 1.08 0.03 1 313 37 37 VAL HG2 H 1.12 0.03 1 314 37 37 VAL CA C 60.51 0.30 1 315 37 37 VAL CB C 30.84 0.30 1 316 37 37 VAL CG1 C 20.67 0.30 1 317 37 37 VAL CG2 C 22.07 0.30 1 318 37 37 VAL N N 117.37 0.30 1 319 38 38 PRO HA H 4.28 0.03 1 320 38 38 PRO HB2 H 2.09 0.03 1 321 38 38 PRO HG2 H 2.50 0.03 1 322 38 38 PRO HG3 H 1.83 0.03 1 323 38 38 PRO HD2 H 3.92 0.03 1 324 38 38 PRO HD3 H 3.81 0.03 1 325 38 38 PRO CA C 66.90 0.30 1 326 38 38 PRO CB C 32.08 0.30 1 327 38 38 PRO CG C 28.20 0.30 1 328 38 38 PRO CD C 51.12 0.30 1 329 39 39 GLY H H 9.01 0.03 1 330 39 39 GLY HA2 H 3.87 0.03 1 331 39 39 GLY HA3 H 3.68 0.03 1 332 39 39 GLY CA C 47.17 0.30 1 333 39 39 GLY N N 119.13 0.30 1 334 40 40 ALA H H 7.16 0.03 1 335 40 40 ALA HA H 4.00 0.03 1 336 40 40 ALA HB H 1.38 0.03 1 337 40 40 ALA CA C 54.23 0.30 1 338 40 40 ALA CB C 18.34 0.30 1 339 40 40 ALA N N 123.74 0.30 1 340 41 41 TYR H H 7.63 0.03 1 341 41 41 TYR HA H 3.84 0.03 1 342 41 41 TYR HB2 H 3.02 0.03 1 343 41 41 TYR HB3 H 2.90 0.03 1 344 41 41 TYR HD1 H 6.66 0.03 3 345 41 41 TYR HE1 H 6.49 0.03 3 346 41 41 TYR CA C 62.21 0.30 1 347 41 41 TYR CB C 38.79 0.30 1 348 41 41 TYR CD1 C 132.63 0.30 3 349 41 41 TYR CE1 C 117.30 0.30 3 350 41 41 TYR N N 116.04 0.30 1 351 42 42 LEU H H 8.56 0.03 1 352 42 42 LEU HA H 3.47 0.03 1 353 42 42 LEU HB2 H 1.76 0.03 1 354 42 42 LEU HB3 H 1.35 0.03 1 355 42 42 LEU HG H 1.79 0.03 1 356 42 42 LEU HD1 H 0.84 0.03 1 357 42 42 LEU HD2 H 0.85 0.03 1 358 42 42 LEU CA C 58.23 0.30 1 359 42 42 LEU CB C 41.73 0.30 1 360 42 42 LEU CG C 27.57 0.30 1 361 42 42 LEU CD1 C 23.02 0.30 1 362 42 42 LEU CD2 C 25.98 0.30 1 363 42 42 LEU N N 117.12 0.30 1 364 43 43 GLU H H 7.18 0.03 1 365 43 43 GLU HA H 3.98 0.03 1 366 43 43 GLU HB2 H 1.98 0.03 1 367 43 43 GLU HG2 H 2.35 0.03 1 368 43 43 GLU CA C 59.60 0.30 1 369 43 43 GLU CB C 29.18 0.30 1 370 43 43 GLU N N 121.00 0.30 1 371 44 44 TYR H H 8.07 0.03 1 372 44 44 TYR HA H 4.54 0.03 1 373 44 44 TYR HB2 H 3.04 0.03 1 374 44 44 TYR HD1 H 6.88 0.03 3 375 44 44 TYR HE1 H 6.77 0.03 3 376 44 44 TYR CA C 58.02 0.30 1 377 44 44 TYR CB C 36.58 0.30 1 378 44 44 TYR CD1 C 131.85 0.30 3 379 44 44 TYR CE1 C 118.07 0.30 3 380 44 44 TYR N N 121.80 0.30 1 381 45 45 LYS H H 9.20 0.03 1 382 45 45 LYS HA H 3.53 0.03 1 383 45 45 LYS HB2 H 1.49 0.03 1 384 45 45 LYS HB3 H 1.11 0.03 1 385 45 45 LYS HG2 H 0.99 0.03 1 386 45 45 LYS HG3 H 1.10 0.03 1 387 45 45 LYS HD2 H 1.61 0.03 1 388 45 45 LYS HD3 H 1.45 0.03 1 389 45 45 LYS HE2 H 2.57 0.03 1 390 45 45 LYS HE3 H 2.06 0.03 1 391 45 45 LYS CA C 60.48 0.30 1 392 45 45 LYS CB C 33.37 0.30 1 393 45 45 LYS CG C 25.44 0.30 1 394 45 45 LYS CD C 30.41 0.30 1 395 45 45 LYS CE C 42.00 0.30 1 396 45 45 LYS N N 120.00 0.30 1 397 46 46 SER H H 7.75 0.03 1 398 46 46 SER HA H 4.11 0.03 1 399 46 46 SER HB2 H 3.95 0.03 1 400 46 46 SER CA C 61.97 0.30 1 401 46 46 SER CB C 62.95 0.30 1 402 46 46 SER N N 111.57 0.30 1 403 47 47 ALA H H 8.00 0.03 1 404 47 47 ALA HA H 4.23 0.03 1 405 47 47 ALA HB H 1.59 0.03 1 406 47 47 ALA CA C 55.45 0.30 1 407 47 47 ALA CB C 18.09 0.30 1 408 47 47 ALA N N 122.94 0.30 1 409 48 48 LEU H H 8.52 0.03 1 410 48 48 LEU HA H 3.95 0.03 1 411 48 48 LEU HB2 H 1.96 0.03 1 412 48 48 LEU HB3 H 1.19 0.03 1 413 48 48 LEU HG H 2.06 0.03 1 414 48 48 LEU HD1 H 0.92 0.03 1 415 48 48 LEU HD2 H 0.84 0.03 1 416 48 48 LEU CA C 58.35 0.30 1 417 48 48 LEU CB C 41.14 0.30 1 418 48 48 LEU CG C 27.45 0.30 1 419 48 48 LEU CD1 C 24.74 0.30 1 420 48 48 LEU CD2 C 25.98 0.30 1 421 48 48 LEU N N 118.39 0.30 1 422 49 49 LEU H H 8.66 0.03 1 423 49 49 LEU HA H 3.80 0.03 1 424 49 49 LEU HB2 H 1.81 0.03 1 425 49 49 LEU HB3 H 1.64 0.03 1 426 49 49 LEU HG H 1.75 0.03 1 427 49 49 LEU HD1 H 0.88 0.03 1 428 49 49 LEU CA C 59.50 0.30 1 429 49 49 LEU CB C 40.97 0.30 1 430 49 49 LEU CD1 C 25.23 0.30 1 431 49 49 LEU N N 121.13 0.30 1 432 50 50 ASN H H 8.29 0.03 1 433 50 50 ASN HA H 4.48 0.03 1 434 50 50 ASN HB2 H 2.99 0.03 1 435 50 50 ASN HB3 H 2.87 0.03 1 436 50 50 ASN CA C 56.70 0.30 1 437 50 50 ASN CB C 38.46 0.30 1 438 50 50 ASN N N 117.39 0.30 1 439 51 51 GLU H H 8.04 0.03 1 440 51 51 GLU HA H 4.30 0.03 1 441 51 51 GLU HB2 H 2.18 0.03 1 442 51 51 GLU HB3 H 1.88 0.03 1 443 51 51 GLU HG2 H 2.29 0.03 1 444 51 51 GLU CA C 58.88 0.30 1 445 51 51 GLU CB C 29.43 0.30 1 446 51 51 GLU CG C 35.12 0.30 1 447 51 51 GLU N N 120.79 0.30 1 448 52 52 CYS H H 8.59 0.03 1 449 52 52 CYS HA H 4.07 0.03 1 450 52 52 CYS HB2 H 3.33 0.03 1 451 52 52 CYS HB3 H 2.74 0.03 1 452 52 52 CYS CA C 62.21 0.30 1 453 52 52 CYS CB C 26.69 0.30 1 454 52 52 CYS N N 118.79 0.30 1 455 53 53 HIS H H 8.27 0.03 1 456 53 53 HIS HA H 4.53 0.03 1 457 53 53 HIS HB2 H 3.40 0.03 1 458 53 53 HIS HD2 H 7.26 0.03 1 459 53 53 HIS CA C 58.51 0.30 1 460 53 53 HIS CB C 29.18 0.30 1 461 53 53 HIS CD2 C 119.43 0.30 1 462 53 53 HIS N N 117.12 0.30 1 463 54 54 LYS H H 7.88 0.03 1 464 54 54 LYS HA H 4.07 0.03 1 465 54 54 LYS HB2 H 2.01 0.03 1 466 54 54 LYS HG2 H 1.64 0.03 1 467 54 54 LYS HG3 H 1.44 0.03 1 468 54 54 LYS HD2 H 1.73 0.03 1 469 54 54 LYS HE2 H 2.98 0.03 1 470 54 54 LYS CA C 59.54 0.30 1 471 54 54 LYS CB C 33.36 0.30 1 472 54 54 LYS CG C 25.18 0.30 1 473 54 54 LYS CE C 42.16 0.30 1 474 54 54 LYS N N 118.73 0.30 1 475 55 55 GLN H H 8.11 0.03 1 476 55 55 GLN HA H 4.55 0.03 1 477 55 55 GLN HB2 H 2.47 0.03 1 478 55 55 GLN HB3 H 2.33 0.03 1 479 55 55 GLN HG2 H 2.52 0.03 1 480 55 55 GLN CA C 56.01 0.30 1 481 55 55 GLN CB C 29.67 0.30 1 482 55 55 GLN CG C 33.25 0.30 1 483 55 55 GLN N N 113.37 0.30 1 484 56 56 GLY H H 8.21 0.03 1 485 56 56 GLY HA2 H 4.15 0.03 1 486 56 56 GLY HA3 H 3.90 0.03 1 487 56 56 GLY CA C 46.34 0.30 1 488 56 56 GLY N N 110.03 0.30 1 489 57 57 GLY H H 7.87 0.03 1 490 57 57 GLY HA2 H 3.98 0.03 1 491 57 57 GLY CA C 45.06 0.30 1 492 57 57 GLY N N 109.16 0.30 1 493 58 58 LEU H H 8.64 0.03 1 494 58 58 LEU HA H 4.94 0.03 1 495 58 58 LEU HB2 H 1.88 0.03 1 496 58 58 LEU HB3 H 1.24 0.03 1 497 58 58 LEU HG H 1.81 0.03 1 498 58 58 LEU HD1 H 0.96 0.03 1 499 58 58 LEU CA C 54.32 0.30 1 500 58 58 LEU CB C 47.91 0.30 1 501 58 58 LEU CG C 27.21 0.30 1 502 58 58 LEU CD1 C 25.73 0.30 1 503 58 58 LEU N N 118.86 0.30 1 504 59 59 ARG H H 9.10 0.03 1 505 59 59 ARG HA H 4.80 0.03 1 506 59 59 ARG HB2 H 2.19 0.03 1 507 59 59 ARG HB3 H 1.71 0.03 1 508 59 59 ARG HG2 H 1.76 0.03 1 509 59 59 ARG HD2 H 3.29 0.03 1 510 59 59 ARG HD3 H 3.21 0.03 1 511 59 59 ARG CA C 55.14 0.30 1 512 59 59 ARG CB C 32.14 0.30 1 513 59 59 ARG CG C 28.44 0.30 1 514 59 59 ARG CD C 43.23 0.30 1 515 59 59 ARG N N 110.30 0.30 1 516 60 60 LEU H H 9.01 0.03 1 517 60 60 LEU HA H 2.98 0.03 1 518 60 60 LEU HB2 H 1.63 0.03 1 519 60 60 LEU HB3 H 1.05 0.03 1 520 60 60 LEU HG H 1.26 0.03 1 521 60 60 LEU HD1 H 0.55 0.03 1 522 60 60 LEU HD2 H 0.85 0.03 1 523 60 60 LEU CA C 58.52 0.30 1 524 60 60 LEU CB C 40.27 0.30 1 525 60 60 LEU CG C 27.39 0.30 1 526 60 60 LEU CD1 C 22.84 0.30 1 527 60 60 LEU CD2 C 25.98 0.30 1 528 60 60 LEU N N 110.36 0.30 1 529 61 61 ALA H H 8.78 0.03 1 530 61 61 ALA HA H 3.91 0.03 1 531 61 61 ALA HB H 1.37 0.03 1 532 61 61 ALA CA C 55.68 0.30 1 533 61 61 ALA CB C 19.03 0.30 1 534 61 61 ALA N N 118.53 0.30 1 535 62 62 GLN H H 6.90 0.03 1 536 62 62 GLN HA H 4.17 0.03 1 537 62 62 GLN HB2 H 2.50 0.03 1 538 62 62 GLN HB3 H 2.07 0.03 1 539 62 62 GLN HG2 H 2.48 0.03 1 540 62 62 GLN HG3 H 2.32 0.03 1 541 62 62 GLN CA C 57.98 0.30 1 542 62 62 GLN CB C 29.79 0.30 1 543 62 62 GLN CG C 35.05 0.30 1 544 62 62 GLN N N 114.58 0.30 1 545 63 63 ALA H H 7.75 0.03 1 546 63 63 ALA HA H 3.93 0.03 1 547 63 63 ALA HB H 1.37 0.03 1 548 63 63 ALA CA C 55.38 0.30 1 549 63 63 ALA CB C 18.49 0.30 1 550 63 63 ALA N N 122.06 0.30 1 551 64 64 ARG H H 8.31 0.03 1 552 64 64 ARG HA H 4.01 0.03 1 553 64 64 ARG HB2 H 1.77 0.03 1 554 64 64 ARG HB3 H 1.92 0.03 1 555 64 64 ARG HG2 H 1.75 0.03 1 556 64 64 ARG HG3 H 1.57 0.03 1 557 64 64 ARG HD2 H 3.18 0.03 1 558 64 64 ARG HD3 H 3.12 0.03 1 559 64 64 ARG CA C 59.02 0.30 1 560 64 64 ARG CB C 30.90 0.30 1 561 64 64 ARG CG C 28.20 0.30 1 562 64 64 ARG CD C 43.97 0.30 1 563 64 64 ARG N N 114.50 0.30 1 564 65 65 ALA H H 7.14 0.03 1 565 65 65 ALA HA H 4.16 0.03 1 566 65 65 ALA HB H 1.46 0.03 1 567 65 65 ALA CA C 53.68 0.30 1 568 65 65 ALA CB C 18.75 0.30 1 569 65 65 ALA N N 118.26 0.30 1 570 66 66 LEU H H 7.38 0.03 1 571 66 66 LEU HA H 4.22 0.03 1 572 66 66 LEU HB2 H 1.76 0.03 1 573 66 66 LEU HB3 H 1.63 0.03 1 574 66 66 LEU HD1 H 0.87 0.03 1 575 66 66 LEU HD2 H 0.85 0.03 1 576 66 66 LEU CA C 56.86 0.30 1 577 66 66 LEU CB C 44.37 0.30 1 578 66 66 LEU CD1 C 25.04 0.30 1 579 66 66 LEU CD2 C 25.98 0.30 1 580 66 66 LEU N N 116.85 0.30 1 581 67 67 ILE H H 7.38 0.03 1 582 67 67 ILE HA H 4.30 0.03 1 583 67 67 ILE HB H 1.69 0.03 1 584 67 67 ILE HG12 H 1.32 0.03 1 585 67 67 ILE HG13 H 1.20 0.03 1 586 67 67 ILE HG2 H 0.52 0.03 1 587 67 67 ILE HD1 H 0.59 0.03 1 588 67 67 ILE CA C 60.46 0.30 1 589 67 67 ILE CB C 38.39 0.30 1 590 67 67 ILE CG1 C 25.98 0.30 1 591 67 67 ILE CG2 C 18.04 0.30 1 592 67 67 ILE CD1 C 12.87 0.30 1 593 67 67 ILE N N 112.91 0.30 1 594 68 68 LYS H H 8.14 0.03 1 595 68 68 LYS HA H 4.25 0.03 1 596 68 68 LYS HB2 H 1.91 0.03 1 597 68 68 LYS HB3 H 1.77 0.03 1 598 68 68 LYS HG2 H 1.32 0.03 1 599 68 68 LYS HD2 H 1.63 0.03 1 600 68 68 LYS HE2 H 2.97 0.03 1 601 68 68 LYS CA C 56.57 0.30 1 602 68 68 LYS CB C 30.16 0.30 1 603 68 68 LYS CG C 25.00 0.30 1 604 68 68 LYS CD C 29.43 0.30 1 605 68 68 LYS N N 121.60 0.30 1 606 69 69 ILE H H 6.99 0.03 1 607 69 69 ILE HA H 4.62 0.03 1 608 69 69 ILE HB H 2.02 0.03 1 609 69 69 ILE HG12 H 1.40 0.03 1 610 69 69 ILE HG13 H 0.47 0.03 1 611 69 69 ILE HG2 H 0.77 0.03 1 612 69 69 ILE HD1 H 0.51 0.03 1 613 69 69 ILE CA C 59.99 0.30 1 614 69 69 ILE CB C 41.23 0.30 1 615 69 69 ILE CG1 C 24.80 0.30 1 616 69 69 ILE CG2 C 17.84 0.30 1 617 69 69 ILE CD1 C 14.89 0.30 1 618 69 69 ILE N N 112.70 0.30 1 619 70 70 ASP H H 8.20 0.03 1 620 70 70 ASP HA H 4.48 0.03 1 621 70 70 ASP HB2 H 2.88 0.03 1 622 70 70 ASP HB3 H 2.54 0.03 1 623 70 70 ASP CA C 55.15 0.30 1 624 70 70 ASP CB C 43.23 0.30 1 625 70 70 ASP N N 120.00 0.30 1 626 71 71 VAL H H 8.67 0.03 1 627 71 71 VAL HA H 3.90 0.03 1 628 71 71 VAL HB H 2.15 0.03 1 629 71 71 VAL HG1 H 0.98 0.03 1 630 71 71 VAL HG2 H 1.10 0.03 1 631 71 71 VAL CA C 65.51 0.30 1 632 71 71 VAL CB C 31.98 0.30 1 633 71 71 VAL CG1 C 19.84 0.30 1 634 71 71 VAL CG2 C 20.86 0.30 1 635 71 71 VAL N N 122.61 0.30 1 636 72 72 ASN H H 8.78 0.03 1 637 72 72 ASN HA H 4.62 0.03 1 638 72 72 ASN HB2 H 2.98 0.03 1 639 72 72 ASN HB3 H 2.76 0.03 1 640 72 72 ASN CA C 56.30 0.30 1 641 72 72 ASN CB C 38.38 0.30 1 642 72 72 ASN N N 121.60 0.30 1 643 73 73 LYS H H 8.02 0.03 1 644 73 73 LYS HA H 4.07 0.03 1 645 73 73 LYS HB2 H 2.11 0.03 1 646 73 73 LYS HB3 H 1.57 0.03 1 647 73 73 LYS HG2 H 1.70 0.03 1 648 73 73 LYS HG3 H 1.45 0.03 1 649 73 73 LYS HD2 H 1.91 0.03 1 650 73 73 LYS HE2 H 3.13 0.03 1 651 73 73 LYS HE3 H 3.19 0.03 1 652 73 73 LYS CA C 60.45 0.30 1 653 73 73 LYS CB C 33.12 0.30 1 654 73 73 LYS CG C 26.96 0.30 1 655 73 73 LYS CE C 44.04 0.30 1 656 73 73 LYS N N 121.20 0.30 1 657 74 74 THR H H 8.23 0.03 1 658 74 74 THR HA H 3.53 0.03 1 659 74 74 THR HB H 4.03 0.03 1 660 74 74 THR HG2 H 0.90 0.03 1 661 74 74 THR CA C 67.77 0.30 1 662 74 74 THR CB C 67.00 0.30 1 663 74 74 THR CG2 C 23.06 0.30 1 664 74 74 THR N N 115.92 0.30 1 665 75 75 ARG H H 8.01 0.03 1 666 75 75 ARG HA H 3.92 0.03 1 667 75 75 ARG HB2 H 2.06 0.03 1 668 75 75 ARG HB3 H 1.98 0.03 1 669 75 75 ARG CA C 60.24 0.30 1 670 75 75 ARG CB C 29.92 0.30 1 671 75 75 ARG N N 120.00 0.30 1 672 76 76 LYS H H 7.30 0.03 1 673 76 76 LYS HA H 4.28 0.03 1 674 76 76 LYS HB2 H 2.08 0.03 1 675 76 76 LYS HB3 H 1.79 0.03 1 676 76 76 LYS HG2 H 1.73 0.03 1 677 76 76 LYS HG3 H 1.59 0.03 1 678 76 76 LYS HE2 H 2.97 0.03 1 679 76 76 LYS CA C 59.50 0.30 1 680 76 76 LYS CB C 33.03 0.30 1 681 76 76 LYS CG C 26.05 0.30 1 682 76 76 LYS N N 116.45 0.30 1 683 77 77 ILE H H 8.09 0.03 1 684 77 77 ILE HA H 3.80 0.03 1 685 77 77 ILE HB H 1.96 0.03 1 686 77 77 ILE HG12 H 0.99 0.03 1 687 77 77 ILE HG13 H 2.02 0.03 1 688 77 77 ILE HG2 H 1.00 0.03 1 689 77 77 ILE HD1 H 0.93 0.03 1 690 77 77 ILE CA C 66.16 0.30 1 691 77 77 ILE CB C 39.34 0.30 1 692 77 77 ILE CG1 C 29.06 0.30 1 693 77 77 ILE CG2 C 17.35 0.30 1 694 77 77 ILE CD1 C 15.03 0.30 1 695 77 77 ILE N N 119.55 0.30 1 696 78 78 TYR H H 9.09 0.03 1 697 78 78 TYR HA H 3.84 0.03 1 698 78 78 TYR HB2 H 3.23 0.03 1 699 78 78 TYR HB3 H 2.71 0.03 1 700 78 78 TYR HD1 H 7.00 0.03 3 701 78 78 TYR HE1 H 6.57 0.03 3 702 78 78 TYR CA C 62.95 0.30 1 703 78 78 TYR CB C 40.03 0.30 1 704 78 78 TYR CD1 C 133.40 0.30 3 705 78 78 TYR CE1 C 117.68 0.30 3 706 78 78 TYR N N 121.07 0.30 1 707 79 79 ASP H H 9.03 0.03 1 708 79 79 ASP HA H 4.29 0.03 1 709 79 79 ASP HB2 H 2.87 0.03 1 710 79 79 ASP HB3 H 2.67 0.03 1 711 79 79 ASP CA C 57.53 0.30 1 712 79 79 ASP CB C 40.29 0.30 1 713 79 79 ASP N N 117.24 0.30 1 714 80 80 PHE H H 7.83 0.03 1 715 80 80 PHE HA H 4.24 0.03 1 716 80 80 PHE HB2 H 3.49 0.03 1 717 80 80 PHE HB3 H 3.31 0.03 1 718 80 80 PHE HD1 H 7.27 0.03 3 719 80 80 PHE HE1 H 7.37 0.03 3 720 80 80 PHE HZ H 7.07 0.03 1 721 80 80 PHE CA C 61.97 0.30 1 722 80 80 PHE CB C 39.87 0.30 1 723 80 80 PHE CD1 C 132.63 0.30 3 724 80 80 PHE CE1 C 131.85 0.30 3 725 80 80 PHE CZ C 128.84 0.30 1 726 80 80 PHE N N 121.40 0.30 1 727 81 81 LEU H H 8.61 0.03 1 728 81 81 LEU HA H 3.99 0.03 1 729 81 81 LEU HB2 H 2.02 0.03 1 730 81 81 LEU HB3 H 1.40 0.03 1 731 81 81 LEU HG H 2.50 0.03 1 732 81 81 LEU HD1 H 1.04 0.03 1 733 81 81 LEU HD2 H 0.88 0.03 1 734 81 81 LEU CA C 58.27 0.30 1 735 81 81 LEU CB C 41.99 0.30 1 736 81 81 LEU CG C 27.21 0.30 1 737 81 81 LEU CD1 C 23.41 0.30 1 738 81 81 LEU CD2 C 28.20 0.30 1 739 81 81 LEU N N 118.74 0.30 1 740 82 82 ILE H H 8.18 0.03 1 741 82 82 ILE HA H 3.90 0.03 1 742 82 82 ILE HB H 1.95 0.03 1 743 82 82 ILE HG12 H 0.68 0.03 1 744 82 82 ILE HG13 H 0.99 0.03 1 745 82 82 ILE HG2 H 0.81 0.03 1 746 82 82 ILE HD1 H 0.40 0.03 1 747 82 82 ILE CA C 62.48 0.30 1 748 82 82 ILE CB C 36.58 0.30 1 749 82 82 ILE CG1 C 26.96 0.30 1 750 82 82 ILE CG2 C 16.76 0.30 1 751 82 82 ILE CD1 C 11.08 0.30 1 752 82 82 ILE N N 120.20 0.30 1 753 83 83 ARG H H 8.32 0.03 1 754 83 83 ARG HA H 3.97 0.03 1 755 83 83 ARG HB2 H 2.02 0.03 1 756 83 83 ARG HB3 H 1.91 0.03 1 757 83 83 ARG HG2 H 1.62 0.03 1 758 83 83 ARG HG3 H 1.77 0.03 1 759 83 83 ARG HD2 H 3.28 0.03 1 760 83 83 ARG CA C 59.85 0.30 1 761 83 83 ARG CB C 30.41 0.30 1 762 83 83 ARG CG C 27.70 0.30 1 763 83 83 ARG CD C 43.63 0.30 1 764 83 83 ARG N N 123.61 0.30 1 765 84 84 GLU H H 8.01 0.03 1 766 84 84 GLU HA H 3.97 0.03 1 767 84 84 GLU HB2 H 1.92 0.03 1 768 84 84 GLU HB3 H 1.19 0.03 1 769 84 84 GLU HG2 H 1.58 0.03 1 770 84 84 GLU HG3 H 1.49 0.03 1 771 84 84 GLU CA C 55.52 0.30 1 772 84 84 GLU CB C 30.41 0.30 1 773 84 84 GLU CG C 36.58 0.30 1 774 84 84 GLU N N 113.71 0.30 1 775 85 85 GLY H H 7.55 0.03 1 776 85 85 GLY HA2 H 3.95 0.03 1 777 85 85 GLY HA3 H 3.78 0.03 1 778 85 85 GLY CA C 45.89 0.30 1 779 85 85 GLY N N 123.41 0.30 1 780 86 86 TYR H H 8.20 0.03 1 781 86 86 TYR HA H 4.42 0.03 1 782 86 86 TYR HB2 H 3.14 0.03 1 783 86 86 TYR HB3 H 2.89 0.03 1 784 86 86 TYR HD1 H 7.10 0.03 3 785 86 86 TYR HE1 H 6.87 0.03 3 786 86 86 TYR CA C 59.88 0.30 1 787 86 86 TYR CB C 39.88 0.30 1 788 86 86 TYR CD1 C 132.76 0.30 3 789 86 86 TYR CE1 C 118.65 0.30 3 790 86 86 TYR N N 117.95 0.30 1 791 87 87 ILE H H 7.09 0.03 1 792 87 87 ILE HA H 4.69 0.03 1 793 87 87 ILE HB H 1.91 0.03 1 794 87 87 ILE HG12 H 1.02 0.03 1 795 87 87 ILE HG13 H 0.70 0.03 1 796 87 87 ILE HG2 H 0.86 0.03 1 797 87 87 ILE HD1 H 0.68 0.03 1 798 87 87 ILE CA C 59.01 0.30 1 799 87 87 ILE CB C 42.23 0.30 1 800 87 87 ILE CG1 C 25.24 0.30 1 801 87 87 ILE CG2 C 18.73 0.30 1 802 87 87 ILE CD1 C 14.83 0.30 1 803 87 87 ILE N N 108.19 0.30 1 804 88 88 THR H H 7.24 0.03 1 805 88 88 THR HA H 4.48 0.03 1 806 88 88 THR HB H 4.17 0.03 1 807 88 88 THR HG2 H 1.11 0.03 1 808 88 88 THR CA C 60.06 0.30 1 809 88 88 THR CB C 71.35 0.30 1 810 88 88 THR CG2 C 22.02 0.30 1 811 88 88 THR N N 112.04 0.30 1 812 89 89 LYS H H 8.44 0.03 1 813 89 89 LYS HA H 4.48 0.03 1 814 89 89 LYS HB2 H 1.86 0.03 1 815 89 89 LYS HG2 H 1.56 0.03 1 816 89 89 LYS CA C 56.70 0.30 1 817 89 89 LYS CB C 33.93 0.30 1 818 89 89 LYS CG C 25.03 0.30 1 819 89 89 LYS N N 121.67 0.30 1 820 90 90 ALA H H 7.32 0.03 1 821 90 90 ALA HA H 4.20 0.03 1 822 90 90 ALA HB H 1.27 0.03 1 823 90 90 ALA CA C 53.59 0.30 1 824 90 90 ALA CB C 21.05 0.30 1 825 90 90 ALA N N 113.64 0.30 1 stop_ save_