data_17352 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structure of a domain from yeast ; _BMRB_accession_number 17352 _BMRB_flat_file_name bmr17352.str _Entry_type original _Submission_date 2010-12-08 _Accession_date 2010-12-08 _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 Zhang Wen . . 2 Zhang Jiahai . . 3 Tu Xiaoming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 559 "13C chemical shifts" 392 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-13 update BMRB 'update entry citation' 2011-03-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Taf14 YEATS domain and its roles in cell growth of Saccharomyces cerevisiae.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21355849 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Wen . . 2 Zhang Jiahai . . 3 Zhang Xuecheng . . 4 Xu Chao . . 5 Tu Xiaoming . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 436 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 83 _Page_last 90 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Taf14 YEATS domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Taf14 YEATS domain' $a_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_a_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common a_domain _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MVATVKRTIRIKTQQHILPE VPPVENFPVRQWSIEIVLLD DEGKEIPATIFDKVIYHLHP TFANPNRTFTDPPFRIEEQG WGGFPLDISVFLLEKAGERK IPHDLNFLQESYEVEHVIQI PLNLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ALA 4 THR 5 VAL 6 LYS 7 ARG 8 THR 9 ILE 10 ARG 11 ILE 12 LYS 13 THR 14 GLN 15 GLN 16 HIS 17 ILE 18 LEU 19 PRO 20 GLU 21 VAL 22 PRO 23 PRO 24 VAL 25 GLU 26 ASN 27 PHE 28 PRO 29 VAL 30 ARG 31 GLN 32 TRP 33 SER 34 ILE 35 GLU 36 ILE 37 VAL 38 LEU 39 LEU 40 ASP 41 ASP 42 GLU 43 GLY 44 LYS 45 GLU 46 ILE 47 PRO 48 ALA 49 THR 50 ILE 51 PHE 52 ASP 53 LYS 54 VAL 55 ILE 56 TYR 57 HIS 58 LEU 59 HIS 60 PRO 61 THR 62 PHE 63 ALA 64 ASN 65 PRO 66 ASN 67 ARG 68 THR 69 PHE 70 THR 71 ASP 72 PRO 73 PRO 74 PHE 75 ARG 76 ILE 77 GLU 78 GLU 79 GLN 80 GLY 81 TRP 82 GLY 83 GLY 84 PHE 85 PRO 86 LEU 87 ASP 88 ILE 89 SER 90 VAL 91 PHE 92 LEU 93 LEU 94 GLU 95 LYS 96 ALA 97 GLY 98 GLU 99 ARG 100 LYS 101 ILE 102 PRO 103 HIS 104 ASP 105 LEU 106 ASN 107 PHE 108 LEU 109 GLN 110 GLU 111 SER 112 TYR 113 GLU 114 VAL 115 GLU 116 HIS 117 VAL 118 ILE 119 GLN 120 ILE 121 PRO 122 LEU 123 ASN 124 LEU 125 GLU 126 HIS 127 HIS 128 HIS 129 HIS 130 HIS 131 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2L7E "The Structure Of A Domain From Yeast" 100.00 131 100.00 100.00 2.63e-88 PDB 3QRL "Crystal Structure Of The Taf14 Yeats Domain" 93.89 140 100.00 100.00 1.94e-82 PDB 5D7E "Crystal Structure Of Taf14 Yeats Domain In Complex With H3k9ac" 93.89 140 100.00 100.00 1.10e-82 DBJ GAA26845 "K7_Taf14p [Saccharomyces cerevisiae Kyokai no. 7]" 93.89 244 100.00 100.00 2.92e-83 EMBL CAA49192 "unnamed protein product [Saccharomyces cerevisiae]" 87.02 235 99.12 99.12 5.42e-76 EMBL CAA81125 "Anc1p [Saccharomyces cerevisiae]" 93.89 244 100.00 100.00 2.53e-83 EMBL CAY86832 "Taf14p [Saccharomyces cerevisiae EC1118]" 93.89 244 100.00 100.00 2.53e-83 GB AAA61644 "transcription initiation factor TFIIF small subunit [Saccharomyces cerevisiae]" 93.89 244 100.00 100.00 2.53e-83 GB AAB68235 "Ypl129wp [Saccharomyces cerevisiae]" 93.89 244 100.00 100.00 2.53e-83 GB AHY78050 "Taf14p [Saccharomyces cerevisiae YJM993]" 93.89 244 100.00 100.00 2.53e-83 GB AJP42018 "Taf14p [Saccharomyces cerevisiae YJM1078]" 93.89 244 100.00 100.00 2.53e-83 GB AJU23462 "Taf14p [Saccharomyces cerevisiae YJM1526]" 93.89 244 100.00 100.00 2.53e-83 REF NP_015196 "TATA-binding protein-associated factor TAF14 [Saccharomyces cerevisiae S288c]" 93.89 244 100.00 100.00 2.53e-83 SP P35189 "RecName: Full=Transcription initiation factor TFIID subunit 14; AltName: Full=Actin non-complementing mutant 1; AltName: Full=C" 93.89 244 100.00 100.00 2.53e-83 TPG DAA11304 "TPA: TATA-binding protein-associated factor TAF14 [Saccharomyces cerevisiae S288c]" 93.89 244 100.00 100.00 2.53e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $a_domain 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $a_domain 'recombinant technology' . Escherichia coli . pet22b 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 $a_domain 0.7 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $a_domain 0.7 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . M pH 6.7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 $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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Taf14 YEATS domain' _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 VAL CA C 58.985 0.1 . 2 2 2 VAL CB C 31.658 0.1 . 3 3 3 ALA H H 8.468 0.01 . 4 3 3 ALA HA H 4.489 0.01 . 5 3 3 ALA HB H 1.401 0.01 . 6 3 3 ALA C C 176.979 0.1 . 7 3 3 ALA CA C 52.570 0.1 . 8 3 3 ALA CB C 19.660 0.1 . 9 3 3 ALA N N 124.482 0.01 . 10 4 4 THR H H 8.107 0.01 . 11 4 4 THR HA H 4.972 0.01 . 12 4 4 THR HB H 3.917 0.01 . 13 4 4 THR HG2 H 0.933 0.01 . 14 4 4 THR C C 173.719 0.1 . 15 4 4 THR CA C 59.915 0.1 . 16 4 4 THR CB C 72.329 0.1 . 17 4 4 THR CG2 C 21.255 0.1 . 18 4 4 THR N N 111.561 0.01 . 19 5 5 VAL H H 8.984 0.01 . 20 5 5 VAL HA H 4.472 0.01 . 21 5 5 VAL HB H 1.971 0.01 . 22 5 5 VAL HG1 H 0.796 0.01 . 23 5 5 VAL HG2 H 0.796 0.01 . 24 5 5 VAL C C 173.892 0.1 . 25 5 5 VAL CA C 59.957 0.1 . 26 5 5 VAL CB C 34.993 0.1 . 27 5 5 VAL CG1 C 20.272 0.1 . 28 5 5 VAL CG2 C 20.272 0.1 . 29 5 5 VAL N N 118.053 0.01 . 30 6 6 LYS H H 8.262 0.01 . 31 6 6 LYS HA H 4.781 0.01 . 32 6 6 LYS HB2 H 2.289 0.01 . 33 6 6 LYS HB3 H 1.596 0.01 . 34 6 6 LYS HG2 H 1.103 0.01 . 35 6 6 LYS HG3 H 1.103 0.01 . 36 6 6 LYS HD2 H 1.413 0.01 . 37 6 6 LYS HD3 H 1.413 0.01 . 38 6 6 LYS HE2 H 2.844 0.01 . 39 6 6 LYS HE3 H 2.844 0.01 . 40 6 6 LYS C C 174.182 0.1 . 41 6 6 LYS CA C 55.884 0.1 . 42 6 6 LYS CB C 33.411 0.1 . 43 6 6 LYS CG C 25.460 0.1 . 44 6 6 LYS CD C 29.731 0.1 . 45 6 6 LYS CE C 41.929 0.1 . 46 6 6 LYS N N 123.485 0.01 . 47 7 7 ARG H H 8.956 0.01 . 48 7 7 ARG HA H 4.698 0.01 . 49 7 7 ARG HB2 H 1.656 0.01 . 50 7 7 ARG HB3 H 1.397 0.01 . 51 7 7 ARG C C 174.057 0.1 . 52 7 7 ARG CA C 52.670 0.1 . 53 7 7 ARG CB C 33.090 0.1 . 54 7 7 ARG CG C 26.747 0.1 . 55 7 7 ARG CD C 41.885 0.1 . 56 7 7 ARG N N 122.872 0.01 . 57 8 8 THR H H 9.349 0.01 . 58 8 8 THR HA H 5.037 0.01 . 59 8 8 THR HB H 3.418 0.01 . 60 8 8 THR HG2 H 1.057 0.01 . 61 8 8 THR CA C 62.344 0.1 . 62 8 8 THR CB C 67.508 0.1 . 63 8 8 THR CG2 C 22.384 0.1 . 64 8 8 THR N N 119.296 0.01 . 65 9 9 ILE H H 9.019 0.1 . 66 9 9 ILE HA H 5.046 0.01 . 67 9 9 ILE HB H 1.954 0.01 . 68 9 9 ILE HG12 H 1.598 0.01 . 69 9 9 ILE HG13 H 1.598 0.01 . 70 9 9 ILE HG2 H 0.872 0.01 . 71 9 9 ILE HD1 H 0.752 0.01 . 72 9 9 ILE C C 173.787 0.1 . 73 9 9 ILE CA C 58.417 0.1 . 74 9 9 ILE CB C 40.693 0.1 . 75 9 9 ILE CG2 C 18.140 0.1 . 76 9 9 ILE CD1 C 13.705 0.1 . 77 9 9 ILE N N 118.513 0.1 . 78 10 10 ARG H H 9.025 0.01 . 79 10 10 ARG HA H 5.094 0.01 . 80 10 10 ARG HB2 H 1.516 0.01 . 81 10 10 ARG HB3 H 1.516 0.01 . 82 10 10 ARG HG2 H 1.310 0.01 . 83 10 10 ARG HG3 H 1.310 0.01 . 84 10 10 ARG C C 173.585 0.1 . 85 10 10 ARG CA C 54.440 0.1 . 86 10 10 ARG CB C 34.941 0.1 . 87 10 10 ARG CG C 27.281 0.1 . 88 10 10 ARG CD C 43.802 0.1 . 89 10 10 ARG N N 123.079 0.01 . 90 11 11 ILE H H 9.379 0.01 . 91 11 11 ILE HA H 4.585 0.01 . 92 11 11 ILE HB H 1.799 0.01 . 93 11 11 ILE HG12 H 0.981 0.01 . 94 11 11 ILE HG13 H 0.615 0.01 . 95 11 11 ILE HG2 H 0.132 0.01 . 96 11 11 ILE HD1 H 0.132 0.01 . 97 11 11 ILE C C 177.522 0.1 . 98 11 11 ILE CA C 60.279 0.1 . 99 11 11 ILE CB C 37.895 0.1 . 100 11 11 ILE CG2 C 17.290 0.1 . 101 11 11 ILE CD1 C 13.288 0.1 . 102 11 11 ILE N N 126.729 0.01 . 103 12 12 LYS H H 9.528 0.01 . 104 12 12 LYS HA H 4.761 0.01 . 105 12 12 LYS HB2 H 1.492 0.01 . 106 12 12 LYS HB3 H 1.290 0.01 . 107 12 12 LYS HD2 H 1.075 0.01 . 108 12 12 LYS HD3 H 1.075 0.01 . 109 12 12 LYS HE2 H 2.785 0.01 . 110 12 12 LYS HE3 H 2.785 0.01 . 111 12 12 LYS C C 176.218 0.1 . 112 12 12 LYS CA C 56.535 0.1 . 113 12 12 LYS CB C 32.186 0.1 . 114 12 12 LYS N N 132.162 0.01 . 115 13 13 THR H H 8.468 0.01 . 116 13 13 THR HA H 5.423 0.01 . 117 13 13 THR HB H 3.413 0.01 . 118 13 13 THR HG2 H 1.176 0.01 . 119 13 13 THR C C 173.656 0.1 . 120 13 13 THR CA C 62.055 0.1 . 121 13 13 THR CB C 70.129 0.1 . 122 13 13 THR N N 122.931 0.01 . 123 14 14 GLN H H 8.841 0.01 . 124 14 14 GLN HA H 5.359 0.01 . 125 14 14 GLN HB2 H 2.059 0.01 . 126 14 14 GLN HB3 H 2.059 0.01 . 127 14 14 GLN CA C 55.061 0.1 . 128 14 14 GLN CB C 32.614 0.1 . 129 14 14 GLN N N 125.439 0.01 . 130 15 15 GLN H H 8.903 0.01 . 131 15 15 GLN HA H 5.058 0.01 . 132 15 15 GLN HB2 H 2.233 0.01 . 133 15 15 GLN HB3 H 2.096 0.01 . 134 15 15 GLN HG2 H 2.913 0.01 . 135 15 15 GLN HG3 H 2.543 0.01 . 136 15 15 GLN C C 174.466 0.1 . 137 15 15 GLN CA C 55.027 0.1 . 138 15 15 GLN CB C 29.695 0.1 . 139 15 15 GLN N N 117.160 0.01 . 140 16 16 HIS H H 8.417 0.01 . 141 16 16 HIS HA H 4.697 0.01 . 142 16 16 HIS HB2 H 3.286 0.01 . 143 16 16 HIS HB3 H 3.092 0.01 . 144 16 16 HIS CA C 55.320 0.1 . 145 16 16 HIS CB C 32.160 0.1 . 146 16 16 HIS N N 113.880 0.01 . 147 17 17 ILE H H 8.832 0.01 . 148 17 17 ILE HA H 3.764 0.01 . 149 17 17 ILE HB H 1.645 0.01 . 150 17 17 ILE HG12 H 1.831 0.01 . 151 17 17 ILE HG13 H 1.831 0.01 . 152 17 17 ILE HG2 H 0.746 0.01 . 153 17 17 ILE HD1 H 0.746 0.01 . 154 17 17 ILE C C 175.747 0.1 . 155 17 17 ILE CA C 63.340 0.1 . 156 17 17 ILE CB C 39.757 0.1 . 157 17 17 ILE N N 122.118 0.01 . 158 18 18 LEU H H 8.804 0.01 . 159 18 18 LEU HA H 4.890 0.01 . 160 18 18 LEU HB2 H 1.371 0.01 . 161 18 18 LEU HB3 H 1.371 0.01 . 162 18 18 LEU HG H 1.800 0.01 . 163 18 18 LEU CA C 51.191 0.1 . 164 18 18 LEU CB C 41.270 0.1 . 165 18 18 LEU N N 129.221 0.01 . 166 19 19 PRO HA H 4.233 0.01 . 167 19 19 PRO HB2 H 2.268 0.01 . 168 19 19 PRO HB3 H 1.950 0.01 . 169 19 19 PRO HG2 H 1.781 0.01 . 170 19 19 PRO C C 177.756 0.1 . 171 19 19 PRO CA C 64.409 0.1 . 172 19 19 PRO CB C 32.285 0.1 . 173 19 19 PRO CG C 27.327 0.1 . 174 20 20 GLU H H 9.258 0.01 . 175 20 20 GLU HA H 4.233 0.01 . 176 20 20 GLU HB2 H 2.110 0.01 . 177 20 20 GLU HB3 H 1.940 0.01 . 178 20 20 GLU HG2 H 2.238 0.01 . 179 20 20 GLU HG3 H 2.238 0.01 . 180 20 20 GLU C C 176.262 0.1 . 181 20 20 GLU CA C 56.859 0.1 . 182 20 20 GLU CB C 28.803 0.1 . 183 20 20 GLU CG C 36.253 0.1 . 184 20 20 GLU N N 116.546 0.01 . 185 21 21 VAL H H 7.211 0.01 . 186 21 21 VAL HA H 3.965 0.01 . 187 21 21 VAL HB H 1.358 0.01 . 188 21 21 VAL HG1 H 0.991 0.01 . 189 21 21 VAL HG2 H 0.860 0.01 . 190 21 21 VAL N N 123.632 0.01 . 191 23 23 PRO HA H 4.404 0.01 . 192 23 23 PRO HB2 H 1.768 0.01 . 193 23 23 PRO HB3 H 1.442 0.01 . 194 24 24 VAL H H 8.345 0.01 . 195 24 24 VAL HA H 3.713 0.01 . 196 24 24 VAL HB H 1.086 0.01 . 197 24 24 VAL HG1 H 0.520 0.01 . 198 24 24 VAL HG2 H 0.098 0.01 . 199 24 24 VAL CA C 62.052 0.1 . 200 24 24 VAL CB C 32.751 0.1 . 201 24 24 VAL CG1 C 20.453 0.1 . 202 24 24 VAL CG2 C 20.453 0.1 . 203 24 24 VAL N N 122.629 0.01 . 204 25 25 GLU H H 8.806 0.01 . 205 25 25 GLU HA H 3.493 0.01 . 206 25 25 GLU HB2 H 1.967 0.01 . 207 25 25 GLU HB3 H 1.740 0.01 . 208 25 25 GLU HG2 H 1.893 0.01 . 209 25 25 GLU C C 175.097 0.1 . 210 25 25 GLU CA C 57.557 0.1 . 211 25 25 GLU CB C 26.767 0.1 . 212 25 25 GLU CG C 36.113 0.1 . 213 25 25 GLU N N 124.547 0.01 . 214 26 26 ASN H H 8.183 0.01 . 215 26 26 ASN HA H 4.009 0.01 . 216 26 26 ASN HB2 H 2.675 0.01 . 217 26 26 ASN HB3 H 2.675 0.01 . 218 26 26 ASN HD21 H 7.459 0.01 . 219 26 26 ASN HD22 H 7.459 0.01 . 220 26 26 ASN C C 174.402 0.1 . 221 26 26 ASN CB C 37.914 0.1 . 222 26 26 ASN N N 108.361 0.01 . 223 27 27 PHE H H 8.409 0.01 . 224 27 27 PHE N N 121.965 0.01 . 225 29 29 VAL HA H 3.843 0.01 . 226 29 29 VAL HG1 H 1.076 0.01 . 227 29 29 VAL HG2 H 0.953 0.01 . 228 29 29 VAL C C 174.493 0.1 . 229 29 29 VAL CA C 64.036 0.1 . 230 29 29 VAL CB C 31.797 0.1 . 231 29 29 VAL CG1 C 22.543 0.1 . 232 29 29 VAL CG2 C 22.543 0.1 . 233 30 30 ARG H H 8.617 0.01 . 234 30 30 ARG HA H 4.863 0.01 . 235 30 30 ARG HB2 H 1.348 0.01 . 236 30 30 ARG HB3 H 1.005 0.01 . 237 30 30 ARG C C 175.157 0.1 . 238 30 30 ARG CA C 53.975 0.1 . 239 30 30 ARG CB C 32.779 0.1 . 240 30 30 ARG CD C 42.215 0.1 . 241 30 30 ARG N N 125.224 0.01 . 242 31 31 GLN H H 8.649 0.01 . 243 31 31 GLN HA H 4.895 0.01 . 244 31 31 GLN HB2 H 1.812 0.01 . 245 31 31 GLN HB3 H 1.412 0.01 . 246 31 31 GLN HG2 H 2.121 0.01 . 247 31 31 GLN HG3 H 2.121 0.01 . 248 31 31 GLN C C 174.353 0.1 . 249 31 31 GLN CA C 54.193 0.1 . 250 31 31 GLN CB C 31.182 0.1 . 251 31 31 GLN CG C 34.235 0.1 . 252 31 31 GLN N N 120.487 0.01 . 253 32 32 TRP H H 9.095 0.01 . 254 32 32 TRP HA H 5.824 0.01 . 255 32 32 TRP HB2 H 3.387 0.01 . 256 32 32 TRP HB3 H 3.004 0.01 . 257 32 32 TRP C C 174.004 0.1 . 258 32 32 TRP CA C 53.877 0.1 . 259 32 32 TRP CB C 33.951 0.1 . 260 32 32 TRP N N 125.271 0.01 . 261 33 33 SER H H 9.435 0.01 . 262 33 33 SER HA H 5.745 0.01 . 263 33 33 SER HB2 H 3.675 0.01 . 264 33 33 SER HB3 H 3.675 0.01 . 265 33 33 SER C C 173.170 0.1 . 266 33 33 SER CA C 55.994 0.1 . 267 33 33 SER CB C 67.420 0.1 . 268 33 33 SER N N 112.528 0.01 . 269 34 34 ILE H H 8.227 0.01 . 270 34 34 ILE HA H 5.039 0.01 . 271 34 34 ILE HB H 1.315 0.01 . 272 34 34 ILE HG12 H 1.661 0.01 . 273 34 34 ILE HG13 H 1.661 0.01 . 274 34 34 ILE HG2 H 0.708 0.01 . 275 34 34 ILE HD1 H 0.708 0.01 . 276 34 34 ILE C C 173.334 0.1 . 277 34 34 ILE CA C 60.383 0.1 . 278 34 34 ILE CB C 41.079 0.1 . 279 34 34 ILE N N 119.397 0.01 . 280 35 35 GLU H H 8.470 0.01 . 281 35 35 GLU HA H 4.753 0.01 . 282 35 35 GLU HB2 H 2.039 0.01 . 283 35 35 GLU HB3 H 1.871 0.01 . 284 35 35 GLU C C 173.915 0.1 . 285 35 35 GLU CA C 54.903 0.1 . 286 35 35 GLU CB C 33.977 0.1 . 287 35 35 GLU CG C 35.822 0.1 . 288 35 35 GLU N N 120.736 0.01 . 289 36 36 ILE H H 8.985 0.01 . 290 36 36 ILE HA H 4.982 0.01 . 291 36 36 ILE HB H 1.639 0.01 . 292 36 36 ILE HG2 H 0.815 0.01 . 293 36 36 ILE HD1 H 0.527 0.01 . 294 36 36 ILE C C 174.786 0.1 . 295 36 36 ILE CA C 61.386 0.1 . 296 36 36 ILE CB C 42.410 0.1 . 297 36 36 ILE CG1 C 27.386 0.1 . 298 36 36 ILE CG2 C 17.447 0.1 . 299 36 36 ILE CD1 C 14.362 0.1 . 300 36 36 ILE N N 119.883 0.01 . 301 37 37 VAL H H 8.667 0.01 . 302 37 37 VAL HA H 4.899 0.01 . 303 37 37 VAL HG1 H 0.560 0.01 . 304 37 37 VAL HG2 H 0.139 0.01 . 305 37 37 VAL CA C 59.337 0.1 . 306 37 37 VAL CB C 31.229 0.1 . 307 37 37 VAL N N 116.890 0.01 . 308 38 38 LEU H H 8.495 0.01 . 309 38 38 LEU HA H 4.874 0.01 . 310 38 38 LEU HB2 H 1.626 0.01 . 311 38 38 LEU HB3 H 1.002 0.01 . 312 38 38 LEU HG H 1.432 0.01 . 313 38 38 LEU HD1 H 0.761 0.01 . 314 38 38 LEU HD2 H 0.761 0.01 . 315 38 38 LEU C C 173.870 0.1 . 316 38 38 LEU CA C 53.057 0.1 . 317 38 38 LEU CB C 46.951 0.1 . 318 38 38 LEU CG C 26.583 0.1 . 319 38 38 LEU CD1 C 24.351 0.1 . 320 38 38 LEU CD2 C 24.351 0.1 . 321 38 38 LEU N N 123.379 0.01 . 322 39 39 LEU H H 7.945 0.01 . 323 39 39 LEU HA H 5.386 0.01 . 324 39 39 LEU HB2 H 1.154 0.01 . 325 39 39 LEU HB3 H 1.154 0.01 . 326 39 39 LEU HD1 H 0.675 0.01 . 327 39 39 LEU HD2 H 0.526 0.01 . 328 39 39 LEU C C 178.486 0.1 . 329 39 39 LEU CB C 43.159 0.1 . 330 39 39 LEU N N 119.227 0.01 . 331 40 40 ASP H H 8.982 0.01 . 332 40 40 ASP HA H 4.599 0.01 . 333 40 40 ASP HB2 H 3.352 0.01 . 334 40 40 ASP HB3 H 2.534 0.01 . 335 40 40 ASP C C 178.112 0.1 . 336 40 40 ASP CA C 52.099 0.1 . 337 40 40 ASP CB C 40.770 0.1 . 338 40 40 ASP N N 123.710 0.01 . 339 41 41 ASP H H 8.329 0.01 . 340 41 41 ASP HA H 4.357 0.01 . 341 41 41 ASP HB2 H 2.668 0.01 . 342 41 41 ASP HB3 H 2.668 0.01 . 343 41 41 ASP CA C 57.198 0.1 . 344 41 41 ASP CB C 40.329 0.1 . 345 41 41 ASP N N 116.655 0.01 . 346 42 42 GLU H H 8.182 0.01 . 347 42 42 GLU HA H 4.392 0.01 . 348 42 42 GLU HB2 H 2.205 0.01 . 349 42 42 GLU HB3 H 1.957 0.01 . 350 42 42 GLU HG2 H 2.174 0.01 . 351 42 42 GLU HG3 H 2.174 0.01 . 352 42 42 GLU C C 176.548 0.1 . 353 42 42 GLU CA C 55.752 0.1 . 354 42 42 GLU CB C 30.428 0.1 . 355 42 42 GLU CG C 36.825 0.1 . 356 42 42 GLU N N 118.129 0.01 . 357 43 43 GLY H H 8.109 0.01 . 358 43 43 GLY HA2 H 4.139 0.01 . 359 43 43 GLY HA3 H 3.494 0.01 . 360 43 43 GLY CA C 45.947 0.1 . 361 43 43 GLY N N 108.964 0.01 . 362 44 44 LYS H H 8.597 0.01 . 363 44 44 LYS HA H 4.223 0.01 . 364 44 44 LYS HB2 H 1.887 0.01 . 365 44 44 LYS HB3 H 1.681 0.01 . 366 44 44 LYS HG2 H 1.314 0.01 . 367 44 44 LYS HG3 H 1.314 0.01 . 368 44 44 LYS HD2 H 1.716 0.01 . 369 44 44 LYS HD3 H 1.716 0.01 . 370 44 44 LYS C C 175.910 0.1 . 371 44 44 LYS CA C 55.994 0.1 . 372 44 44 LYS CB C 32.510 0.1 . 373 44 44 LYS N N 122.610 0.01 . 374 45 45 GLU H H 8.233 0.01 . 375 45 45 GLU HA H 4.593 0.01 . 376 45 45 GLU HB2 H 1.857 0.01 . 377 45 45 GLU HB3 H 1.574 0.01 . 378 45 45 GLU HG2 H 2.472 0.01 . 379 45 45 GLU HG3 H 2.472 0.01 . 380 45 45 GLU C C 176.644 0.1 . 381 45 45 GLU CA C 56.533 0.1 . 382 45 45 GLU CB C 29.909 0.1 . 383 45 45 GLU N N 119.532 0.01 . 384 46 46 ILE H H 9.517 0.01 . 385 46 46 ILE HA H 5.397 0.01 . 386 46 46 ILE HG12 H 1.399 0.01 . 387 46 46 ILE HG13 H 1.279 0.01 . 388 46 46 ILE HG2 H 0.512 0.01 . 389 46 46 ILE HD1 H 0.512 0.01 . 390 46 46 ILE CA C 58.667 0.1 . 391 46 46 ILE CB C 39.888 0.1 . 392 46 46 ILE N N 121.135 0.01 . 393 47 47 PRO HA H 4.541 0.01 . 394 47 47 PRO HB2 H 2.058 0.01 . 395 47 47 PRO HB3 H 2.058 0.01 . 396 47 47 PRO C C 178.663 0.1 . 397 47 47 PRO CA C 62.549 0.1 . 398 47 47 PRO CB C 32.316 0.1 . 399 47 47 PRO CG C 28.138 0.1 . 400 48 48 ALA H H 10.132 0.01 . 401 48 48 ALA C C 176.272 0.1 . 402 48 48 ALA CA C 51.025 0.1 . 403 48 48 ALA CB C 16.051 0.1 . 404 48 48 ALA N N 128.140 0.01 . 405 49 49 THR H H 8.068 0.01 . 406 49 49 THR HA H 4.452 0.01 . 407 49 49 THR HB H 4.154 0.01 . 408 49 49 THR HG2 H 1.192 0.01 . 409 49 49 THR CA C 63.309 0.1 . 410 49 49 THR CB C 67.967 0.1 . 411 49 49 THR N N 111.317 0.1 . 412 50 50 ILE H H 6.080 0.01 . 413 50 50 ILE HA H 3.913 0.01 . 414 50 50 ILE HB H 1.657 0.01 . 415 50 50 ILE HG2 H 0.608 0.01 . 416 50 50 ILE HD1 H 0.267 0.01 . 417 50 50 ILE C C 175.268 0.1 . 418 50 50 ILE CA C 60.156 0.1 . 419 50 50 ILE CB C 39.120 0.1 . 420 50 50 ILE N N 107.290 0.01 . 421 51 51 PHE H H 7.026 0.01 . 422 51 51 PHE HA H 5.768 0.01 . 423 51 51 PHE HB2 H 2.902 0.01 . 424 51 51 PHE HB3 H 2.724 0.01 . 425 51 51 PHE C C 174.451 0.1 . 426 51 51 PHE CA C 53.363 0.1 . 427 51 51 PHE CB C 39.495 0.1 . 428 51 51 PHE N N 118.103 0.01 . 429 52 52 ASP H H 8.703 0.01 . 430 52 52 ASP HB2 H 3.079 0.01 . 431 52 52 ASP HB3 H 2.656 0.01 . 432 52 52 ASP CA C 58.006 0.1 . 433 52 52 ASP CB C 42.982 0.1 . 434 52 52 ASP N N 121.629 0.01 . 435 53 53 LYS H H 7.307 0.01 . 436 53 53 LYS HA H 4.821 0.01 . 437 53 53 LYS HB2 H 1.679 0.01 . 438 53 53 LYS HB3 H 1.538 0.01 . 439 53 53 LYS HG2 H 0.938 0.01 . 440 53 53 LYS HG3 H 0.841 0.01 . 441 53 53 LYS HD2 H 1.901 0.01 . 442 53 53 LYS HE2 H 2.897 0.01 . 443 53 53 LYS HE3 H 2.733 0.01 . 444 53 53 LYS C C 172.611 0.1 . 445 53 53 LYS CA C 55.537 0.1 . 446 53 53 LYS CB C 34.684 0.1 . 447 53 53 LYS CG C 24.064 0.1 . 448 53 53 LYS CD C 29.557 0.1 . 449 53 53 LYS CE C 40.876 0.1 . 450 53 53 LYS N N 111.272 0.01 . 451 54 54 VAL H H 8.704 0.01 . 452 54 54 VAL HA H 5.387 0.01 . 453 54 54 VAL HB H 1.329 0.01 . 454 54 54 VAL HG1 H -0.012 0.01 . 455 54 54 VAL HG2 H -0.223 0.01 . 456 54 54 VAL C C 174.150 0.1 . 457 54 54 VAL CA C 60.565 0.1 . 458 54 54 VAL CB C 36.587 0.1 . 459 54 54 VAL N N 121.986 0.01 . 460 55 55 ILE H H 9.001 0.01 . 461 55 55 ILE HA H 5.151 0.01 . 462 55 55 ILE HB H 1.303 0.01 . 463 55 55 ILE HG2 H 0.681 0.01 . 464 55 55 ILE HD1 H 0.307 0.01 . 465 55 55 ILE C C 173.579 0.1 . 466 55 55 ILE CA C 61.446 0.1 . 467 55 55 ILE CB C 41.770 0.1 . 468 55 55 ILE N N 123.441 0.01 . 469 56 56 TYR H H 8.987 0.01 . 470 56 56 TYR HA H 4.217 0.01 . 471 56 56 TYR HB2 H 2.142 0.01 . 472 56 56 TYR HB3 H 2.142 0.01 . 473 56 56 TYR C C 173.415 0.1 . 474 56 56 TYR CA C 58.006 0.1 . 475 56 56 TYR CB C 40.166 0.1 . 476 56 56 TYR N N 123.424 0.01 . 477 57 57 HIS H H 8.847 0.01 . 478 57 57 HIS CA C 56.826 0.1 . 479 57 57 HIS CB C 27.228 0.1 . 480 57 57 HIS N N 123.322 0.01 . 481 58 58 LEU H H 8.322 0.01 . 482 58 58 LEU C C 177.232 0.1 . 483 58 58 LEU CA C 55.847 0.1 . 484 58 58 LEU CB C 42.303 0.1 . 485 58 58 LEU N N 123.071 0.01 . 486 59 59 HIS HA H 4.544 0.01 . 487 59 59 HIS CA C 57.610 0.1 . 488 59 59 HIS CB C 31.540 0.1 . 489 60 60 PRO HA H 4.217 0.01 . 490 60 60 PRO HB2 H 2.202 0.01 . 491 60 60 PRO HB3 H 1.851 0.01 . 492 60 60 PRO HG2 H 1.541 0.01 . 493 60 60 PRO HG3 H 1.541 0.01 . 494 60 60 PRO C C 176.742 0.1 . 495 60 60 PRO CA C 64.809 0.1 . 496 60 60 PRO CB C 31.636 0.1 . 497 60 60 PRO CG C 27.319 0.1 . 498 61 61 THR H H 8.230 0.01 . 499 61 61 THR HA H 4.101 0.01 . 500 61 61 THR HG1 H 7.626 0.01 . 501 61 61 THR HG2 H 1.245 0.01 . 502 61 61 THR C C 176.123 0.1 . 503 61 61 THR CA C 63.462 0.1 . 504 61 61 THR CB C 69.574 0.1 . 505 61 61 THR N N 111.244 0.01 . 506 62 62 PHE H H 8.354 0.01 . 507 62 62 PHE HA H 4.196 0.01 . 508 62 62 PHE HB2 H 2.955 0.01 . 509 62 62 PHE HB3 H 2.782 0.01 . 510 62 62 PHE C C 175.488 0.1 . 511 62 62 PHE CA C 58.982 0.1 . 512 62 62 PHE CB C 39.252 0.1 . 513 62 62 PHE N N 123.064 0.01 . 514 63 63 ALA H H 8.454 0.01 . 515 63 63 ALA HA H 4.090 0.01 . 516 63 63 ALA HB H 1.336 0.01 . 517 63 63 ALA C C 178.252 0.1 . 518 63 63 ALA CA C 52.656 0.1 . 519 63 63 ALA CB C 18.477 0.1 . 520 63 63 ALA N N 124.556 0.01 . 521 64 64 ASN H H 9.066 0.01 . 522 64 64 ASN HA H 4.547 0.01 . 523 64 64 ASN HB2 H 2.882 0.01 . 524 64 64 ASN HB3 H 2.752 0.01 . 525 64 64 ASN CB C 37.980 0.1 . 526 64 64 ASN N N 115.462 0.01 . 527 65 65 PRO HA H 3.977 0.01 . 528 65 65 PRO HB2 H 2.250 0.01 . 529 65 65 PRO HB3 H 1.861 0.01 . 530 65 65 PRO HG2 H 2.017 0.01 . 531 65 65 PRO HG3 H 2.017 0.01 . 532 65 65 PRO C C 175.634 0.1 . 533 65 65 PRO CA C 65.425 0.1 . 534 65 65 PRO CB C 31.971 0.1 . 535 65 65 PRO CG C 27.086 0.1 . 536 66 66 ASN H H 7.893 0.01 . 537 66 66 ASN HA H 5.601 0.01 . 538 66 66 ASN HB2 H 2.818 0.01 . 539 66 66 ASN HB3 H 2.239 0.01 . 540 66 66 ASN C C 174.473 0.1 . 541 66 66 ASN CA C 52.432 0.1 . 542 66 66 ASN CB C 39.160 0.1 . 543 66 66 ASN N N 117.734 0.01 . 544 67 67 ARG H H 8.755 0.01 . 545 67 67 ARG HA H 4.547 0.01 . 546 67 67 ARG HB2 H 2.157 0.01 . 547 67 67 ARG HB3 H 1.972 0.01 . 548 67 67 ARG HG2 H 1.994 0.01 . 549 67 67 ARG HG3 H 1.994 0.01 . 550 67 67 ARG HD2 H 3.315 0.01 . 551 67 67 ARG HD3 H 3.183 0.01 . 552 67 67 ARG CA C 54.441 0.1 . 553 67 67 ARG CB C 32.179 0.1 . 554 67 67 ARG CG C 25.864 0.1 . 555 67 67 ARG CD C 42.419 0.1 . 556 67 67 ARG N N 125.572 0.01 . 557 68 68 THR H H 8.421 0.01 . 558 68 68 THR HA H 4.869 0.01 . 559 68 68 THR HB H 3.737 0.01 . 560 68 68 THR HG2 H 0.921 0.01 . 561 68 68 THR C C 173.701 0.1 . 562 68 68 THR CA C 63.409 0.1 . 563 68 68 THR CB C 69.663 0.1 . 564 68 68 THR N N 122.028 0.01 . 565 69 69 PHE H H 9.508 0.01 . 566 69 69 PHE HA H 4.794 0.01 . 567 69 69 PHE HB2 H 3.679 0.01 . 568 69 69 PHE HB3 H 2.888 0.01 . 569 69 69 PHE C C 175.460 0.1 . 570 69 69 PHE CA C 57.987 0.1 . 571 69 69 PHE CB C 43.380 0.1 . 572 69 69 PHE N N 125.628 0.01 . 573 70 70 THR H H 8.839 0.01 . 574 70 70 THR HA H 4.865 0.01 . 575 70 70 THR HB H 4.642 0.01 . 576 70 70 THR HG2 H 1.098 0.01 . 577 70 70 THR C C 173.239 0.1 . 578 70 70 THR CA C 62.290 0.1 . 579 70 70 THR CB C 70.274 0.1 . 580 70 70 THR N N 109.755 0.01 . 581 71 71 ASP H H 7.820 0.01 . 582 71 71 ASP HA H 5.313 0.01 . 583 71 71 ASP HB2 H 2.463 0.01 . 584 71 71 ASP HB3 H 2.463 0.01 . 585 71 71 ASP CA C 50.782 0.1 . 586 71 71 ASP CB C 42.735 0.1 . 587 71 71 ASP N N 121.581 0.01 . 588 73 73 PRO HA H 4.825 0.01 . 589 73 73 PRO HB2 H 2.484 0.01 . 590 73 73 PRO HB3 H 2.005 0.01 . 591 73 73 PRO HG2 H 1.865 0.01 . 592 73 73 PRO HG3 H 1.865 0.01 . 593 73 73 PRO C C 173.615 0.1 . 594 73 73 PRO CA C 64.416 0.1 . 595 73 73 PRO CB C 32.028 0.1 . 596 73 73 PRO CG C 24.837 0.1 . 597 74 74 PHE H H 9.221 0.01 . 598 74 74 PHE HA H 3.871 0.01 . 599 74 74 PHE HB2 H 3.439 0.01 . 600 74 74 PHE HB3 H 2.805 0.01 . 601 74 74 PHE C C 173.614 0.1 . 602 74 74 PHE CA C 57.728 0.1 . 603 74 74 PHE CB C 35.092 0.1 . 604 74 74 PHE N N 122.322 0.01 . 605 75 75 ARG H H 7.550 0.01 . 606 75 75 ARG HA H 4.883 0.01 . 607 75 75 ARG HB2 H 1.556 0.01 . 608 75 75 ARG HB3 H 1.341 0.01 . 609 75 75 ARG HG2 H 0.945 0.01 . 610 75 75 ARG HG3 H 0.945 0.01 . 611 75 75 ARG HD2 H 3.128 0.01 . 612 75 75 ARG HD3 H 2.915 0.01 . 613 75 75 ARG C C 174.573 0.1 . 614 75 75 ARG CA C 55.831 0.1 . 615 75 75 ARG CB C 31.520 0.1 . 616 75 75 ARG CG C 28.308 0.1 . 617 75 75 ARG CD C 43.329 0.1 . 618 75 75 ARG N N 117.192 0.01 . 619 76 76 ILE H H 8.528 0.01 . 620 76 76 ILE HA H 4.065 0.01 . 621 76 76 ILE HB H 0.979 0.01 . 622 76 76 ILE HG12 H 1.550 0.01 . 623 76 76 ILE HG13 H 0.788 0.01 . 624 76 76 ILE HG2 H 0.107 0.01 . 625 76 76 ILE HD1 H 0.107 0.01 . 626 76 76 ILE C C 172.057 0.1 . 627 76 76 ILE CA C 57.916 0.1 . 628 76 76 ILE CB C 39.075 0.1 . 629 76 76 ILE CG1 C 28.870 0.1 . 630 76 76 ILE CD1 C 14.500 0.1 . 631 76 76 ILE N N 127.898 0.01 . 632 77 77 GLU H H 7.454 0.01 . 633 77 77 GLU HA H 4.880 0.01 . 634 77 77 GLU HB2 H 1.643 0.01 . 635 77 77 GLU HB3 H 1.643 0.01 . 636 77 77 GLU HG2 H 1.899 0.01 . 637 77 77 GLU HG3 H 1.899 0.01 . 638 77 77 GLU C C 179.041 0.1 . 639 77 77 GLU CA C 53.990 0.1 . 640 77 77 GLU CB C 32.951 0.1 . 641 77 77 GLU CG C 36.705 0.1 . 642 77 77 GLU N N 124.852 0.01 . 643 78 78 GLU H H 8.310 0.01 . 644 78 78 GLU HA H 4.220 0.01 . 645 78 78 GLU HG2 H 2.121 0.01 . 646 78 78 GLU HG3 H 2.121 0.01 . 647 78 78 GLU C C 174.574 0.1 . 648 78 78 GLU CA C 54.284 0.1 . 649 78 78 GLU CB C 30.717 0.1 . 650 78 78 GLU N N 128.840 0.01 . 651 79 79 GLN H H 9.633 0.01 . 652 79 79 GLN HA H 5.662 0.01 . 653 79 79 GLN HB2 H 1.839 0.01 . 654 79 79 GLN HG2 H 2.151 0.01 . 655 79 79 GLN HG3 H 2.151 0.01 . 656 79 79 GLN C C 176.556 0.1 . 657 79 79 GLN CA C 53.527 0.1 . 658 79 79 GLN CB C 33.424 0.1 . 659 79 79 GLN N N 126.625 0.01 . 660 80 80 GLY H H 9.160 0.01 . 661 80 80 GLY HA2 H 4.804 0.01 . 662 80 80 GLY HA3 H 4.353 0.01 . 663 80 80 GLY C C 171.448 0.1 . 664 80 80 GLY CA C 46.418 0.1 . 665 80 80 GLY N N 106.455 0.01 . 666 81 81 TRP H H 7.989 0.01 . 667 81 81 TRP HA H 5.397 0.01 . 668 81 81 TRP HB2 H 3.539 0.01 . 669 81 81 TRP HB3 H 2.859 0.01 . 670 81 81 TRP C C 175.800 0.1 . 671 81 81 TRP CA C 55.141 0.1 . 672 81 81 TRP CB C 31.408 0.1 . 673 81 81 TRP N N 115.961 0.01 . 674 82 82 GLY H H 7.304 0.01 . 675 82 82 GLY HA2 H 4.110 0.01 . 676 82 82 GLY HA3 H 2.936 0.01 . 677 82 82 GLY C C 171.845 0.1 . 678 82 82 GLY CA C 44.681 0.1 . 679 82 82 GLY N N 111.402 0.01 . 680 83 83 GLY H H 7.990 0.01 . 681 83 83 GLY HA2 H 3.153 0.01 . 682 83 83 GLY HA3 H 2.887 0.01 . 683 83 83 GLY C C 172.959 0.1 . 684 83 83 GLY CA C 43.730 0.1 . 685 83 83 GLY N N 110.299 0.01 . 686 84 84 PHE H H 7.145 0.01 . 687 84 84 PHE CB C 36.964 0.1 . 688 84 84 PHE N N 115.672 0.01 . 689 85 85 PRO HA H 4.562 0.01 . 690 85 85 PRO HB2 H 2.281 0.01 . 691 85 85 PRO HB3 H 1.876 0.01 . 692 85 85 PRO HG2 H 2.056 0.01 . 693 85 85 PRO HG3 H 2.056 0.01 . 694 85 85 PRO C C 176.587 0.1 . 695 85 85 PRO CA C 62.875 0.1 . 696 85 85 PRO CB C 32.064 0.1 . 697 85 85 PRO CG C 27.788 0.1 . 698 86 86 LEU H H 8.159 0.01 . 699 86 86 LEU HA H 4.024 0.01 . 700 86 86 LEU HB2 H 1.458 0.01 . 701 86 86 LEU HB3 H 1.345 0.01 . 702 86 86 LEU HG H 1.427 0.01 . 703 86 86 LEU HD1 H 0.756 0.01 . 704 86 86 LEU HD2 H 0.756 0.01 . 705 86 86 LEU C C 176.955 0.1 . 706 86 86 LEU CA C 56.320 0.1 . 707 86 86 LEU CB C 42.709 0.1 . 708 86 86 LEU CG C 27.220 0.1 . 709 86 86 LEU CD1 C 24.141 0.1 . 710 86 86 LEU CD2 C 24.141 0.1 . 711 86 86 LEU N N 123.249 0.01 . 712 87 87 ASP H H 8.455 0.01 . 713 87 87 ASP HA H 4.643 0.01 . 714 87 87 ASP HB2 H 2.736 0.01 . 715 87 87 ASP HB3 H 2.736 0.01 . 716 87 87 ASP C C 175.311 0.1 . 717 87 87 ASP CA C 53.677 0.1 . 718 87 87 ASP CB C 37.899 0.1 . 719 87 87 ASP N N 117.522 0.01 . 720 88 88 ILE H H 7.914 0.01 . 721 88 88 ILE HA H 4.468 0.01 . 722 88 88 ILE HB H 1.537 0.01 . 723 88 88 ILE HG2 H 0.039 0.01 . 724 88 88 ILE C C 176.296 0.1 . 725 88 88 ILE CA C 60.308 0.1 . 726 88 88 ILE CB C 40.357 0.1 . 727 88 88 ILE N N 121.521 0.01 . 728 89 89 SER H H 9.249 0.1 . 729 89 89 SER HA H 5.028 0.01 . 730 89 89 SER HB2 H 3.752 0.01 . 731 89 89 SER HB3 H 3.411 0.01 . 732 89 89 SER CA C 58.466 0.1 . 733 89 89 SER N N 123.868 0.1 . 734 90 90 VAL H H 8.593 0.01 . 735 90 90 VAL HG1 H 0.281 0.01 . 736 90 90 VAL HG2 H -0.134 0.01 . 737 90 90 VAL C C 173.467 0.1 . 738 90 90 VAL CA C 58.303 0.1 . 739 90 90 VAL CB C 31.240 0.1 . 740 90 90 VAL CG1 C 19.871 0.1 . 741 90 90 VAL CG2 C 19.871 0.1 . 742 90 90 VAL N N 117.055 0.01 . 743 91 91 PHE H H 7.892 0.01 . 744 91 91 PHE HB2 H 2.907 0.01 . 745 91 91 PHE HB3 H 2.731 0.01 . 746 91 91 PHE C C 174.878 0.1 . 747 91 91 PHE CA C 53.560 0.1 . 748 91 91 PHE CB C 39.559 0.1 . 749 91 91 PHE N N 121.754 0.01 . 750 92 92 LEU H H 8.693 0.01 . 751 92 92 LEU HA H 4.843 0.01 . 752 92 92 LEU HB2 H 1.824 0.01 . 753 92 92 LEU HB3 H 1.639 0.01 . 754 92 92 LEU HD1 H 0.825 0.01 . 755 92 92 LEU HD2 H 0.825 0.01 . 756 92 92 LEU C C 176.842 0.1 . 757 92 92 LEU CA C 55.147 0.1 . 758 92 92 LEU CB C 43.719 0.1 . 759 92 92 LEU CG C 28.586 0.1 . 760 92 92 LEU CD1 C 25.254 0.1 . 761 92 92 LEU CD2 C 23.914 0.1 . 762 92 92 LEU N N 121.304 0.01 . 763 93 93 LEU H H 7.571 0.01 . 764 93 93 LEU HA H 4.112 0.01 . 765 93 93 LEU HB2 H 1.530 0.01 . 766 93 93 LEU HB3 H 1.530 0.01 . 767 93 93 LEU HD1 H 0.850 0.01 . 768 93 93 LEU HD2 H 0.850 0.01 . 769 93 93 LEU C C 176.164 0.1 . 770 93 93 LEU CA C 55.647 0.1 . 771 93 93 LEU CB C 43.219 0.1 . 772 93 93 LEU CG C 27.195 0.1 . 773 93 93 LEU CD1 C 25.132 0.1 . 774 93 93 LEU CD2 C 22.772 0.1 . 775 93 93 LEU N N 117.708 0.01 . 776 94 94 GLU H H 8.996 0.01 . 777 94 94 GLU HA H 3.807 0.01 . 778 94 94 GLU HB2 H 2.146 0.01 . 779 94 94 GLU HB3 H 1.947 0.01 . 780 94 94 GLU CA C 56.846 0.1 . 781 94 94 GLU CB C 26.861 0.1 . 782 94 94 GLU CG C 36.453 0.1 . 783 94 94 GLU N N 115.390 0.01 . 784 95 95 LYS H H 8.774 0.01 . 785 95 95 LYS HA H 4.153 0.01 . 786 95 95 LYS HB2 H 1.945 0.01 . 787 95 95 LYS HB3 H 1.945 0.01 . 788 95 95 LYS HG2 H 1.361 0.01 . 789 95 95 LYS HG3 H 1.361 0.01 . 790 95 95 LYS HD2 H 1.639 0.01 . 791 95 95 LYS HD3 H 1.639 0.01 . 792 95 95 LYS HE2 H 2.936 0.01 . 793 95 95 LYS HE3 H 2.936 0.01 . 794 95 95 LYS C C 178.021 0.1 . 795 95 95 LYS CA C 57.076 0.1 . 796 95 95 LYS CB C 29.748 0.1 . 797 95 95 LYS CG C 25.297 0.1 . 798 95 95 LYS CE C 42.325 0.1 . 799 95 95 LYS N N 113.113 0.01 . 800 96 96 ALA H H 7.407 0.01 . 801 96 96 ALA HA H 4.211 0.01 . 802 96 96 ALA HB H 1.440 0.01 . 803 96 96 ALA C C 177.663 0.1 . 804 96 96 ALA CA C 53.656 0.1 . 805 96 96 ALA CB C 19.436 0.1 . 806 96 96 ALA N N 119.422 0.01 . 807 97 97 GLY H H 7.900 0.01 . 808 97 97 GLY HA2 H 4.398 0.01 . 809 97 97 GLY HA3 H 3.788 0.01 . 810 97 97 GLY C C 171.530 0.1 . 811 97 97 GLY CA C 44.895 0.1 . 812 97 97 GLY N N 105.696 0.01 . 813 98 98 GLU H H 8.346 0.01 . 814 98 98 GLU HA H 4.764 0.01 . 815 98 98 GLU HB2 H 1.480 0.01 . 816 98 98 GLU HB3 H 1.296 0.01 . 817 98 98 GLU HG2 H 2.075 0.01 . 818 98 98 GLU HG3 H 2.075 0.01 . 819 98 98 GLU CA C 53.921 0.1 . 820 98 98 GLU CB C 32.598 0.1 . 821 98 98 GLU N N 121.004 0.01 . 822 99 99 ARG H H 8.492 0.01 . 823 99 99 ARG HA H 4.541 0.01 . 824 99 99 ARG HB2 H 1.508 0.01 . 825 99 99 ARG HB3 H 1.508 0.01 . 826 99 99 ARG HG2 H 1.195 0.01 . 827 99 99 ARG HG3 H 1.195 0.01 . 828 99 99 ARG C C 173.448 0.1 . 829 99 99 ARG CA C 53.459 0.1 . 830 99 99 ARG CB C 31.589 0.1 . 831 99 99 ARG CG C 27.026 0.1 . 832 99 99 ARG CD C 42.518 0.1 . 833 99 99 ARG N N 123.310 0.01 . 834 100 100 LYS H H 8.532 0.01 . 835 100 100 LYS HA H 4.926 0.01 . 836 100 100 LYS HB2 H 1.459 0.01 . 837 100 100 LYS HB3 H 1.459 0.01 . 838 100 100 LYS HG2 H 1.084 0.01 . 839 100 100 LYS HG3 H 1.084 0.01 . 840 100 100 LYS C C 175.620 0.01 . 841 100 100 LYS CA C 55.525 0.1 . 842 100 100 LYS CB C 33.645 0.1 . 843 100 100 LYS CG C 24.926 0.01 . 844 100 100 LYS CD C 29.314 0.01 . 845 100 100 LYS CE C 41.534 0.01 . 846 100 100 LYS N N 124.376 0.01 . 847 101 101 ILE H H 9.478 0.01 . 848 101 101 ILE HA H 5.384 0.01 . 849 101 101 ILE CA C 57.392 0.1 . 850 101 101 ILE CB C 40.481 0.1 . 851 101 101 ILE N N 129.033 0.01 . 852 102 102 PRO HA H 5.049 0.01 . 853 102 102 PRO HB2 H 2.299 0.01 . 854 102 102 PRO HB3 H 1.966 0.01 . 855 102 102 PRO HG2 H 2.138 0.01 . 856 102 102 PRO HG3 H 2.138 0.01 . 857 102 102 PRO C C 176.728 0.1 . 858 102 102 PRO CA C 62.577 0.1 . 859 102 102 PRO CB C 32.479 0.1 . 860 103 103 HIS H H 8.892 0.01 . 861 103 103 HIS HA H 4.858 0.01 . 862 103 103 HIS HB2 H 2.702 0.01 . 863 103 103 HIS HB3 H 2.702 0.01 . 864 103 103 HIS C C 171.967 0.1 . 865 103 103 HIS CA C 55.911 0.1 . 866 103 103 HIS CB C 35.203 0.1 . 867 103 103 HIS N N 121.234 0.01 . 868 104 104 ASP H H 6.923 0.01 . 869 104 104 ASP HA H 4.506 0.01 . 870 104 104 ASP HB2 H 2.194 0.01 . 871 104 104 ASP HB3 H 2.194 0.01 . 872 104 104 ASP C C 173.879 0.1 . 873 104 104 ASP CA C 53.746 0.1 . 874 104 104 ASP CB C 43.026 0.1 . 875 104 104 ASP N N 125.151 0.01 . 876 105 105 LEU H H 7.606 0.01 . 877 105 105 LEU HA H 3.912 0.01 . 878 105 105 LEU HB2 H 0.875 0.01 . 879 105 105 LEU HB3 H 0.080 0.01 . 880 105 105 LEU HD1 H -0.057 0.01 . 881 105 105 LEU HD2 H -0.649 0.01 . 882 105 105 LEU C C 172.993 0.1 . 883 105 105 LEU CA C 53.281 0.1 . 884 105 105 LEU CB C 41.073 0.1 . 885 105 105 LEU CG C 30.038 0.1 . 886 105 105 LEU CD1 C 26.391 0.1 . 887 105 105 LEU CD2 C 22.745 0.1 . 888 105 105 LEU N N 127.715 0.01 . 889 106 106 ASN H H 8.000 0.01 . 890 106 106 ASN HA H 3.917 0.01 . 891 106 106 ASN HB2 H 2.230 0.01 . 892 106 106 ASN HB3 H 2.230 0.01 . 893 106 106 ASN HD21 H 6.800 0.01 . 894 106 106 ASN HD22 H 7.178 0.01 . 895 106 106 ASN C C 172.490 0.1 . 896 106 106 ASN CA C 51.271 0.1 . 897 106 106 ASN CB C 41.535 0.1 . 898 106 106 ASN N N 123.454 0.01 . 899 107 107 PHE H H 8.157 0.01 . 900 107 107 PHE HA H 5.132 0.01 . 901 107 107 PHE HB2 H 3.182 0.01 . 902 107 107 PHE HB3 H 2.599 0.01 . 903 107 107 PHE C C 176.845 0.1 . 904 107 107 PHE CA C 52.534 0.1 . 905 107 107 PHE CB C 37.570 0.1 . 906 107 107 PHE N N 116.327 0.01 . 907 108 108 LEU H H 8.179 0.01 . 908 108 108 LEU HA H 4.009 0.01 . 909 108 108 LEU HB2 H 1.525 0.01 . 910 108 108 LEU HB3 H 1.402 0.01 . 911 108 108 LEU HD1 H 0.728 0.01 . 912 108 108 LEU HD2 H 0.728 0.01 . 913 108 108 LEU C C 177.243 0.1 . 914 108 108 LEU CA C 57.314 0.1 . 915 108 108 LEU CB C 41.838 0.1 . 916 108 108 LEU CG C 27.549 0.1 . 917 108 108 LEU CD1 C 24.505 0.1 . 918 108 108 LEU CD2 C 22.681 0.1 . 919 108 108 LEU N N 120.695 0.01 . 920 109 109 GLN H H 7.671 0.01 . 921 109 109 GLN HA H 5.181 0.01 . 922 109 109 GLN HB2 H 1.823 0.01 . 923 109 109 GLN HB3 H 1.823 0.01 . 924 109 109 GLN HG2 H 2.277 0.01 . 925 109 109 GLN HG3 H 2.064 0.01 . 926 109 109 GLN C C 174.863 0.1 . 927 109 109 GLN CB C 27.228 0.1 . 928 109 109 GLN N N 113.799 0.01 . 929 110 110 GLU H H 9.071 0.01 . 930 110 110 GLU HA H 4.444 0.01 . 931 110 110 GLU HB2 H 2.217 0.01 . 932 110 110 GLU HB3 H 2.141 0.01 . 933 110 110 GLU HG2 H 2.432 0.01 . 934 110 110 GLU HG3 H 2.432 0.01 . 935 110 110 GLU C C 175.675 0.1 . 936 110 110 GLU CA C 59.387 0.1 . 937 110 110 GLU CB C 30.309 0.1 . 938 110 110 GLU N N 121.468 0.01 . 939 111 111 SER H H 7.558 0.01 . 940 111 111 SER HA H 5.378 0.01 . 941 111 111 SER HB2 H 3.912 0.01 . 942 111 111 SER HB3 H 3.912 0.01 . 943 111 111 SER CA C 56.998 0.1 . 944 111 111 SER CB C 65.050 0.1 . 945 111 111 SER N N 108.638 0.01 . 946 112 112 TYR H H 8.590 0.01 . 947 112 112 TYR HA H 4.880 0.01 . 948 112 112 TYR HB2 H 3.216 0.01 . 949 112 112 TYR HB3 H 2.887 0.01 . 950 112 112 TYR C C 174.409 0.1 . 951 112 112 TYR CA C 57.130 0.1 . 952 112 112 TYR CB C 39.150 0.1 . 953 112 112 TYR N N 117.144 0.01 . 954 113 113 GLU H H 9.095 0.01 . 955 113 113 GLU HA H 5.362 0.01 . 956 113 113 GLU HB2 H 2.015 0.01 . 957 113 113 GLU HB3 H 1.677 0.01 . 958 113 113 GLU HG2 H 2.149 0.01 . 959 113 113 GLU HG3 H 2.149 0.01 . 960 113 113 GLU C C 175.001 0.1 . 961 113 113 GLU CA C 55.100 0.1 . 962 113 113 GLU CB C 33.291 0.1 . 963 113 113 GLU CG C 36.535 0.1 . 964 113 113 GLU N N 122.200 0.01 . 965 114 114 VAL H H 8.450 0.01 . 966 114 114 VAL HA H 4.458 0.01 . 967 114 114 VAL HB H 2.037 0.01 . 968 114 114 VAL HG1 H 1.193 0.01 . 969 114 114 VAL HG2 H 1.026 0.01 . 970 114 114 VAL C C 174.209 0.1 . 971 114 114 VAL CA C 61.312 0.1 . 972 114 114 VAL CB C 35.779 0.1 . 973 114 114 VAL N N 120.218 0.01 . 974 115 115 GLU H H 8.498 0.01 . 975 115 115 GLU HA H 5.491 0.01 . 976 115 115 GLU HB2 H 1.733 0.01 . 977 115 115 GLU HB3 H 1.733 0.01 . 978 115 115 GLU HG2 H 2.107 0.01 . 979 115 115 GLU HG3 H 2.107 0.01 . 980 115 115 GLU C C 175.678 0.1 . 981 115 115 GLU CA C 54.978 0.1 . 982 115 115 GLU CB C 32.008 0.1 . 983 115 115 GLU CG C 37.153 0.1 . 984 115 115 GLU N N 125.229 0.01 . 985 116 116 HIS H H 8.646 0.01 . 986 116 116 HIS HA H 4.742 0.01 . 987 116 116 HIS HB2 H 2.878 0.01 . 988 116 116 HIS HB3 H 2.452 0.01 . 989 116 116 HIS C C 173.543 0.1 . 990 116 116 HIS CA C 55.451 0.1 . 991 116 116 HIS CB C 35.682 0.1 . 992 116 116 HIS N N 118.488 0.01 . 993 117 117 VAL H H 8.850 0.01 . 994 117 117 VAL HA H 4.712 0.01 . 995 117 117 VAL HB H 1.913 0.01 . 996 117 117 VAL HG1 H 0.923 0.01 . 997 117 117 VAL HG2 H 0.800 0.01 . 998 117 117 VAL CA C 62.160 0.1 . 999 117 117 VAL CB C 32.413 0.1 . 1000 117 117 VAL CG1 C 21.491 0.1 . 1001 117 117 VAL CG2 C 21.491 0.1 . 1002 117 117 VAL N N 123.308 0.01 . 1003 118 118 ILE H H 9.465 0.01 . 1004 118 118 ILE HA H 4.580 0.01 . 1005 118 118 ILE HB H 1.691 0.01 . 1006 118 118 ILE HG12 H 1.375 0.01 . 1007 118 118 ILE HG13 H 1.116 0.01 . 1008 118 118 ILE HG2 H 0.778 0.01 . 1009 118 118 ILE HD1 H 0.778 0.01 . 1010 118 118 ILE C C 173.608 0.1 . 1011 118 118 ILE CA C 58.651 0.1 . 1012 118 118 ILE CB C 40.940 0.1 . 1013 118 118 ILE CG1 C 26.587 0.1 . 1014 118 118 ILE CG2 C 16.821 0.1 . 1015 118 118 ILE N N 125.797 0.01 . 1016 119 119 GLN H H 8.603 0.01 . 1017 119 119 GLN HA H 5.004 0.01 . 1018 119 119 GLN HB2 H 2.502 0.01 . 1019 119 119 GLN HB3 H 2.049 0.01 . 1020 119 119 GLN C C 175.690 0.1 . 1021 119 119 GLN CA C 54.561 0.1 . 1022 119 119 GLN CB C 29.514 0.1 . 1023 119 119 GLN N N 123.092 0.01 . 1024 120 120 ILE H H 9.072 0.01 . 1025 120 120 ILE CA C 57.461 0.1 . 1026 120 120 ILE CB C 39.471 0.1 . 1027 120 120 ILE N N 121.573 0.01 . 1028 121 121 PRO HA H 4.874 0.01 . 1029 121 121 PRO HB2 H 2.263 0.01 . 1030 121 121 PRO HB3 H 2.018 0.01 . 1031 121 121 PRO HG2 H 1.785 0.01 . 1032 121 121 PRO HG3 H 1.785 0.01 . 1033 121 121 PRO C C 176.050 0.1 . 1034 121 121 PRO CA C 62.748 0.1 . 1035 121 121 PRO CB C 32.278 0.1 . 1036 122 122 LEU H H 8.928 0.01 . 1037 122 122 LEU HA H 4.982 0.01 . 1038 122 122 LEU HB2 H 2.036 0.01 . 1039 122 122 LEU HB3 H 1.857 0.01 . 1040 122 122 LEU HG H 1.630 0.01 . 1041 122 122 LEU HD1 H 0.833 0.01 . 1042 122 122 LEU HD2 H 0.641 0.01 . 1043 122 122 LEU C C 174.009 0.1 . 1044 122 122 LEU CA C 56.129 0.1 . 1045 122 122 LEU CB C 42.762 0.1 . 1046 122 122 LEU CD1 C 27.710 0.1 . 1047 122 122 LEU CD2 C 27.710 0.1 . 1048 122 122 LEU N N 120.404 0.01 . 1049 123 123 ASN H H 7.824 0.01 . 1050 123 123 ASN HA H 5.382 0.01 . 1051 123 123 ASN HB2 H 2.383 0.01 . 1052 123 123 ASN HB3 H 2.276 0.01 . 1053 123 123 ASN HD21 H 6.604 0.01 . 1054 123 123 ASN HD22 H 6.973 0.01 . 1055 123 123 ASN C C 176.235 0.1 . 1056 123 123 ASN CA C 53.483 0.1 . 1057 123 123 ASN CB C 38.010 0.1 . 1058 123 123 ASN N N 118.697 0.01 . stop_ save_