data_17950 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of DNA binding domain of AtTRB2 ; _BMRB_accession_number 17950 _BMRB_flat_file_name bmr17950.str _Entry_type original _Submission_date 2011-09-20 _Accession_date 2011-09-20 _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 Yun Ji-Hye . . 2 Lee Weontae . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 350 "13C chemical shifts" 260 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-17 update BMRB 'update entry citation' 2012-09-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'DNA-binding domain of AtTRB2 reveals unique features of a single Myb histone protein family that binds to both Arabidopsis- and human-type telomeric DNA sequences.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22859734 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee 'Won Kyung' . . 2 Yun Ji-Hye . . 3 Lee Weontae . . 4 Cho 'Myeon Haeng' . . stop_ _Journal_abbreviation 'Mol. Plant' _Journal_name_full 'Molecular plant' _Journal_volume 5 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1406 _Page_last 1408 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AtTRB2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AtTRB2 $AtTRB2 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_AtTRB2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AtTRB2 _Molecular_mass 7194.347 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; MGAPKQKWTPEEEAALKAGV LKHGTGKWRTILSDTEFSLI LKSRSNVDLKDKWRNISVTA LWGS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ALA 4 PRO 5 LYS 6 GLN 7 LYS 8 TRP 9 THR 10 PRO 11 GLU 12 GLU 13 GLU 14 ALA 15 ALA 16 LEU 17 LYS 18 ALA 19 GLY 20 VAL 21 LEU 22 LYS 23 HIS 24 GLY 25 THR 26 GLY 27 LYS 28 TRP 29 ARG 30 THR 31 ILE 32 LEU 33 SER 34 ASP 35 THR 36 GLU 37 PHE 38 SER 39 LEU 40 ILE 41 LEU 42 LYS 43 SER 44 ARG 45 SER 46 ASN 47 VAL 48 ASP 49 LEU 50 LYS 51 ASP 52 LYS 53 TRP 54 ARG 55 ASN 56 ILE 57 SER 58 VAL 59 THR 60 ALA 61 LEU 62 TRP 63 GLY 64 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAB08466 "unnamed protein product [Arabidopsis thaliana]" 100.00 299 100.00 100.00 1.55e-36 GB AAK63987 "AT5g67580/K9I9_15 [Arabidopsis thaliana]" 100.00 299 100.00 100.00 1.55e-36 GB AAL73441 "telomere repeat binding factor 2 [Arabidopsis thaliana]" 100.00 299 98.44 100.00 4.69e-36 GB AAL73442 "telomere repeat binding factor 2 [Arabidopsis thaliana]" 100.00 299 100.00 100.00 1.55e-36 GB AAL76146 "AT5g67580/K9I9_15 [Arabidopsis thaliana]" 100.00 299 100.00 100.00 1.55e-36 GB AAS10015 "MYB transcription factor [Arabidopsis thaliana]" 100.00 299 100.00 100.00 1.55e-36 REF NP_201559 "telomere repeat binding factor 2 [Arabidopsis thaliana]" 100.00 299 100.00 100.00 1.55e-36 REF NP_851286 "telomere repeat binding factor 2 [Arabidopsis thaliana]" 100.00 299 100.00 100.00 1.55e-36 REF XP_002864993 "ATTRB2/TRB2 [Arabidopsis lyrata subsp. lyrata]" 100.00 292 100.00 100.00 1.10e-36 SP Q9FJW5 "RecName: Full=Telomere repeat-binding factor 2; Short=AtTRB2; AltName: Full=MYB transcription factor; AltName: Full=Telomere-bi" 100.00 299 100.00 100.00 1.55e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AtTRB2 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $AtTRB2 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DNA_binding_domain_of_AtTRB2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AtTRB2 1 mM '[U-13C; U-15N]' HEPES 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 1.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . 'Guntert, Mumenthaler and Wuthrich' . . 'Guntert, Mumenthaler and Wuthrich' . . 'Koradi, Billeter and Wuthrich' . . 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'data analysis' 'data analysis' 'peak picking' processing refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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 $DNA_binding_domain_of_AtTRB2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $DNA_binding_domain_of_AtTRB2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $DNA_binding_domain_of_AtTRB2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $DNA_binding_domain_of_AtTRB2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $DNA_binding_domain_of_AtTRB2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $DNA_binding_domain_of_AtTRB2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $DNA_binding_domain_of_AtTRB2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $DNA_binding_domain_of_AtTRB2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $DNA_binding_domain_of_AtTRB2 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' 100 . mM pH 7.0 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $DNA_binding_domain_of_AtTRB2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AtTRB2 _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 1 MET HA H 4.415 0.020 . 2 1 1 MET HB2 H 2.009 0.020 . 3 1 1 MET HB3 H 1.941 0.020 . 4 1 1 MET HG2 H 2.521 0.020 . 5 1 1 MET HG3 H 2.462 0.020 . 6 1 1 MET H H 8.452 0.020 . 7 1 1 MET C C 176.579 0.400 . 8 1 1 MET CA C 55.637 0.400 . 9 1 1 MET CB C 32.598 0.400 . 10 1 1 MET CG C 31.880 0.400 . 11 1 1 MET N N 123.266 0.400 . 12 2 2 GLY H H 8.335 0.020 . 13 2 2 GLY HA2 H 3.847 0.020 . 14 2 2 GLY HA3 H 3.847 0.020 . 15 2 2 GLY C C 173.237 0.400 . 16 2 2 GLY CA C 44.918 0.400 . 17 2 2 GLY N N 110.542 0.400 . 18 3 3 ALA H H 8.069 0.020 . 19 3 3 ALA HA H 4.513 0.020 . 20 3 3 ALA HB H 1.255 0.020 . 21 3 3 ALA CA C 50.370 0.400 . 22 3 3 ALA CB C 18.052 0.400 . 23 3 3 ALA N N 124.917 0.400 . 24 4 4 PRO HA H 4.341 0.020 . 25 4 4 PRO HB2 H 1.800 0.020 . 26 4 4 PRO HB3 H 2.213 0.020 . 27 4 4 PRO HG2 H 1.938 0.020 . 28 4 4 PRO HG3 H 1.938 0.020 . 29 4 4 PRO HD2 H 3.710 0.020 . 30 4 4 PRO HD3 H 3.548 0.020 . 31 4 4 PRO C C 177.068 0.400 . 32 4 4 PRO CA C 63.007 0.400 . 33 4 4 PRO CB C 32.015 0.400 . 34 4 4 PRO CG C 27.370 0.400 . 35 4 4 PRO CD C 50.393 0.400 . 36 5 5 LYS H H 8.376 0.020 . 37 5 5 LYS HA H 4.180 0.020 . 38 5 5 LYS HB2 H 1.709 0.020 . 39 5 5 LYS HB3 H 1.694 0.020 . 40 5 5 LYS HG2 H 1.383 0.020 . 41 5 5 LYS HG3 H 1.383 0.020 . 42 5 5 LYS HD2 H 1.643 0.020 . 43 5 5 LYS HD3 H 1.627 0.020 . 44 5 5 LYS HE2 H 2.934 0.020 . 45 5 5 LYS HE3 H 2.934 0.020 . 46 5 5 LYS C C 176.697 0.400 . 47 5 5 LYS CA C 56.140 0.400 . 48 5 5 LYS CB C 32.871 0.400 . 49 5 5 LYS CG C 24.870 0.400 . 50 5 5 LYS CD C 29.203 0.400 . 51 5 5 LYS CE C 41.931 0.400 . 52 5 5 LYS N N 121.494 0.400 . 53 6 6 GLN H H 8.438 0.020 . 54 6 6 GLN HA H 4.230 0.020 . 55 6 6 GLN HB2 H 1.954 0.020 . 56 6 6 GLN HB3 H 1.863 0.020 . 57 6 6 GLN HG2 H 2.289 0.020 . 58 6 6 GLN HG3 H 2.289 0.020 . 59 6 6 GLN C C 176.847 0.400 . 60 6 6 GLN CA C 55.634 0.400 . 61 6 6 GLN CB C 29.290 0.400 . 62 6 6 GLN CG C 33.590 0.400 . 63 6 6 GLN N N 121.572 0.400 . 64 7 7 LYS H H 8.500 0.020 . 65 7 7 LYS HA H 4.259 0.020 . 66 7 7 LYS HB2 H 1.768 0.020 . 67 7 7 LYS HB3 H 1.763 0.020 . 68 7 7 LYS HG2 H 1.429 0.020 . 69 7 7 LYS HG3 H 1.429 0.020 . 70 7 7 LYS HD2 H 1.655 0.020 . 71 7 7 LYS HD3 H 1.655 0.020 . 72 7 7 LYS HE2 H 2.929 0.020 . 73 7 7 LYS HE3 H 2.929 0.020 . 74 7 7 LYS C C 176.770 0.400 . 75 7 7 LYS CA C 56.899 0.400 . 76 7 7 LYS CB C 32.782 0.400 . 77 7 7 LYS CG C 24.727 0.400 . 78 7 7 LYS CD C 29.085 0.400 . 79 7 7 LYS CE C 41.869 0.400 . 80 7 7 LYS N N 125.757 0.400 . 81 8 8 TRP H H 8.959 0.020 . 82 8 8 TRP HA H 4.504 0.020 . 83 8 8 TRP HB2 H 3.188 0.020 . 84 8 8 TRP HB3 H 2.970 0.020 . 85 8 8 TRP HE1 H 10.165 0.020 . 86 8 8 TRP C C 177.459 0.400 . 87 8 8 TRP CA C 57.777 0.400 . 88 8 8 TRP CB C 28.836 0.400 . 89 8 8 TRP N N 125.581 0.400 . 90 8 8 TRP NE1 N 128.843 0.400 . 91 9 9 THR H H 9.105 0.020 . 92 9 9 THR HA H 4.759 0.020 . 93 9 9 THR HB H 4.785 0.020 . 94 9 9 THR HG2 H 1.282 0.020 . 95 9 9 THR CA C 59.565 0.400 . 96 9 9 THR CB C 68.786 0.400 . 97 9 9 THR CG2 C 22.006 0.400 . 98 9 9 THR N N 115.986 0.400 . 99 10 10 PRO HA H 4.369 0.020 . 100 10 10 PRO HB2 H 1.894 0.020 . 101 10 10 PRO HB3 H 2.377 0.020 . 102 10 10 PRO HG2 H 2.190 0.020 . 103 10 10 PRO HG3 H 2.018 0.020 . 104 10 10 PRO HD2 H 3.924 0.020 . 105 10 10 PRO HD3 H 3.903 0.020 . 106 10 10 PRO C C 180.115 0.400 . 107 10 10 PRO CA C 65.387 0.400 . 108 10 10 PRO CB C 31.739 0.400 . 109 10 10 PRO CG C 28.071 0.400 . 110 10 10 PRO CD C 50.551 0.400 . 111 11 11 GLU H H 9.009 0.020 . 112 11 11 GLU HA H 4.065 0.020 . 113 11 11 GLU HB2 H 2.117 0.020 . 114 11 11 GLU HB3 H 1.877 0.020 . 115 11 11 GLU HG2 H 2.457 0.020 . 116 11 11 GLU HG3 H 2.222 0.020 . 117 11 11 GLU C C 180.122 0.400 . 118 11 11 GLU CA C 60.640 0.400 . 119 11 11 GLU CB C 28.680 0.400 . 120 11 11 GLU CG C 37.390 0.400 . 121 11 11 GLU N N 118.329 0.400 . 122 12 12 GLU H H 7.952 0.020 . 123 12 12 GLU HA H 3.857 0.020 . 124 12 12 GLU HB2 H 2.509 0.020 . 125 12 12 GLU HB3 H 2.066 0.020 . 126 12 12 GLU HG2 H 2.370 0.020 . 127 12 12 GLU HG3 H 1.908 0.020 . 128 12 12 GLU C C 179.021 0.400 . 129 12 12 GLU CA C 59.900 0.400 . 130 12 12 GLU CB C 32.276 0.400 . 131 12 12 GLU CG C 38.331 0.400 . 132 12 12 GLU N N 121.178 0.400 . 133 13 13 GLU H H 8.446 0.020 . 134 13 13 GLU HA H 3.928 0.020 . 135 13 13 GLU HB2 H 2.199 0.020 . 136 13 13 GLU HB3 H 1.980 0.020 . 137 13 13 GLU HG2 H 2.632 0.020 . 138 13 13 GLU HG3 H 1.881 0.020 . 139 13 13 GLU C C 178.499 0.400 . 140 13 13 GLU CA C 61.052 0.400 . 141 13 13 GLU CB C 29.552 0.400 . 142 13 13 GLU CG C 38.490 0.400 . 143 13 13 GLU N N 118.771 0.400 . 144 14 14 ALA H H 8.434 0.020 . 145 14 14 ALA HA H 4.095 0.020 . 146 14 14 ALA HB H 1.524 0.020 . 147 14 14 ALA C C 180.719 0.400 . 148 14 14 ALA CA C 55.053 0.400 . 149 14 14 ALA CB C 18.019 0.400 . 150 14 14 ALA N N 120.274 0.400 . 151 15 15 ALA H H 7.900 0.020 . 152 15 15 ALA HA H 4.381 0.020 . 153 15 15 ALA HB H 1.642 0.020 . 154 15 15 ALA C C 178.553 0.400 . 155 15 15 ALA CA C 54.786 0.400 . 156 15 15 ALA CB C 18.779 0.400 . 157 15 15 ALA N N 122.356 0.400 . 158 16 16 LEU H H 8.182 0.020 . 159 16 16 LEU HA H 3.921 0.020 . 160 16 16 LEU HB2 H 2.313 0.020 . 161 16 16 LEU HB3 H 1.658 0.020 . 162 16 16 LEU HG H 1.767 0.020 . 163 16 16 LEU HD1 H 0.901 0.020 . 164 16 16 LEU HD2 H 1.103 0.020 . 165 16 16 LEU C C 177.536 0.400 . 166 16 16 LEU CA C 58.384 0.400 . 167 16 16 LEU CB C 42.189 0.400 . 168 16 16 LEU CG C 27.387 0.400 . 169 16 16 LEU CD1 C 27.325 0.400 . 170 16 16 LEU CD2 C 24.334 0.400 . 171 16 16 LEU N N 118.626 0.400 . 172 17 17 LYS H H 8.029 0.020 . 173 17 17 LYS HA H 3.906 0.020 . 174 17 17 LYS HB2 H 1.948 0.020 . 175 17 17 LYS HB3 H 1.893 0.020 . 176 17 17 LYS HG2 H 1.669 0.020 . 177 17 17 LYS HG3 H 1.471 0.020 . 178 17 17 LYS HD2 H 1.663 0.020 . 179 17 17 LYS HD3 H 1.663 0.020 . 180 17 17 LYS C C 178.796 0.400 . 181 17 17 LYS CA C 60.496 0.400 . 182 17 17 LYS CB C 32.720 0.400 . 183 17 17 LYS CG C 26.309 0.400 . 184 17 17 LYS CD C 29.803 0.400 . 185 17 17 LYS N N 117.009 0.400 . 186 18 18 ALA H H 8.174 0.020 . 187 18 18 ALA HA H 4.021 0.020 . 188 18 18 ALA HB H 1.560 0.020 . 189 18 18 ALA C C 180.627 0.400 . 190 18 18 ALA CA C 54.752 0.400 . 191 18 18 ALA CB C 18.405 0.400 . 192 18 18 ALA N N 121.422 0.400 . 193 19 19 GLY H H 8.503 0.020 . 194 19 19 GLY HA2 H 3.132 0.020 . 195 19 19 GLY HA3 H 2.763 0.020 . 196 19 19 GLY C C 174.803 0.400 . 197 19 19 GLY CA C 47.190 0.400 . 198 19 19 GLY N N 110.862 0.400 . 199 20 20 VAL H H 8.106 0.020 . 200 20 20 VAL HA H 3.166 0.020 . 201 20 20 VAL HB H 1.384 0.020 . 202 20 20 VAL HG1 H -0.072 0.020 . 203 20 20 VAL HG2 H 0.135 0.020 . 204 20 20 VAL C C 179.632 0.400 . 205 20 20 VAL CA C 65.603 0.400 . 206 20 20 VAL CB C 30.946 0.400 . 207 20 20 VAL CG1 C 23.038 0.400 . 208 20 20 VAL CG2 C 20.911 0.400 . 209 20 20 VAL N N 123.677 0.400 . 210 21 21 LEU H H 7.817 0.020 . 211 21 21 LEU HA H 3.894 0.020 . 212 21 21 LEU HB2 H 1.655 0.020 . 213 21 21 LEU HB3 H 1.528 0.020 . 214 21 21 LEU HG H 1.121 0.020 . 215 21 21 LEU HD1 H 0.805 0.020 . 216 21 21 LEU C C 178.085 0.400 . 217 21 21 LEU CA C 58.028 0.400 . 218 21 21 LEU CB C 41.401 0.400 . 219 21 21 LEU CG C 26.178 0.400 . 220 21 21 LEU CD1 C 24.300 0.400 . 221 21 21 LEU N N 122.348 0.400 . 222 22 22 LYS H H 7.520 0.020 . 223 22 22 LYS HA H 3.837 0.020 . 224 22 22 LYS HB2 H 1.769 0.020 . 225 22 22 LYS HB3 H 1.532 0.020 . 226 22 22 LYS HG2 H 1.093 0.020 . 227 22 22 LYS HG3 H 1.093 0.020 . 228 22 22 LYS HD2 H 2.136 0.020 . 229 22 22 LYS HD3 H 2.136 0.020 . 230 22 22 LYS C C 177.740 0.400 . 231 22 22 LYS CA C 59.206 0.400 . 232 22 22 LYS CB C 35.176 0.400 . 233 22 22 LYS CG C 24.647 0.400 . 234 22 22 LYS CD C 29.541 0.400 . 235 22 22 LYS N N 117.663 0.400 . 236 23 23 HIS H H 8.311 0.020 . 237 23 23 HIS HA H 4.625 0.020 . 238 23 23 HIS HB2 H 2.768 0.020 . 239 23 23 HIS HB3 H 2.606 0.020 . 240 23 23 HIS C C 176.122 0.400 . 241 23 23 HIS CA C 57.211 0.400 . 242 23 23 HIS CB C 33.414 0.400 . 243 23 23 HIS N N 113.904 0.400 . 244 24 24 GLY H H 8.158 0.020 . 245 24 24 GLY HA2 H 4.223 0.020 . 246 24 24 GLY HA3 H 3.645 0.020 . 247 24 24 GLY C C 173.041 0.400 . 248 24 24 GLY CA C 43.563 0.400 . 249 24 24 GLY N N 110.098 0.400 . 250 25 25 THR H H 7.826 0.020 . 251 25 25 THR HA H 3.123 0.020 . 252 25 25 THR HB H 4.049 0.020 . 253 25 25 THR HG2 H 0.981 0.020 . 254 25 25 THR C C 174.866 0.400 . 255 25 25 THR CA C 61.992 0.400 . 256 25 25 THR CB C 69.110 0.400 . 257 25 25 THR CG2 C 22.277 0.400 . 258 25 25 THR N N 108.590 0.400 . 259 26 26 GLY H H 5.553 0.020 . 260 26 26 GLY HA2 H 3.836 0.020 . 261 26 26 GLY HA3 H 3.264 0.020 . 262 26 26 GLY C C 173.988 0.400 . 263 26 26 GLY CA C 45.639 0.400 . 264 26 26 GLY N N 106.794 0.400 . 265 27 27 LYS H H 7.025 0.020 . 266 27 27 LYS HA H 4.499 0.020 . 267 27 27 LYS HB2 H 1.511 0.020 . 268 27 27 LYS HB3 H 1.065 0.020 . 269 27 27 LYS HG2 H 1.175 0.020 . 270 27 27 LYS HG3 H 0.855 0.020 . 271 27 27 LYS HD2 H 1.452 0.020 . 272 27 27 LYS HD3 H 1.452 0.020 . 273 27 27 LYS HE2 H 2.841 0.020 . 274 27 27 LYS HE3 H 2.841 0.020 . 275 27 27 LYS C C 176.586 0.400 . 276 27 27 LYS CA C 53.590 0.400 . 277 27 27 LYS CB C 30.298 0.400 . 278 27 27 LYS CG C 23.689 0.400 . 279 27 27 LYS CD C 28.517 0.400 . 280 27 27 LYS CE C 42.043 0.400 . 281 27 27 LYS N N 122.617 0.400 . 282 28 28 TRP H H 6.384 0.020 . 283 28 28 TRP HA H 4.130 0.020 . 284 28 28 TRP HB2 H 3.445 0.020 . 285 28 28 TRP HB3 H 3.206 0.020 . 286 28 28 TRP HE1 H 10.005 0.020 . 287 28 28 TRP C C 178.012 0.400 . 288 28 28 TRP CA C 58.414 0.400 . 289 28 28 TRP CB C 30.008 0.400 . 290 28 28 TRP N N 119.816 0.400 . 291 28 28 TRP NE1 N 129.061 0.400 . 292 29 29 ARG H H 8.465 0.020 . 293 29 29 ARG HA H 3.963 0.020 . 294 29 29 ARG HB2 H 1.811 0.020 . 295 29 29 ARG HB3 H 1.796 0.020 . 296 29 29 ARG HG2 H 1.748 0.020 . 297 29 29 ARG HG3 H 1.569 0.020 . 298 29 29 ARG HD2 H 3.126 0.020 . 299 29 29 ARG HD3 H 3.126 0.020 . 300 29 29 ARG C C 178.821 0.400 . 301 29 29 ARG CA C 59.381 0.400 . 302 29 29 ARG CB C 29.366 0.400 . 303 29 29 ARG CG C 28.098 0.400 . 304 29 29 ARG CD C 43.150 0.400 . 305 29 29 ARG N N 115.616 0.400 . 306 30 30 THR H H 7.451 0.020 . 307 30 30 THR HA H 3.594 0.020 . 308 30 30 THR HB H 3.818 0.020 . 309 30 30 THR HG2 H 0.393 0.020 . 310 30 30 THR C C 176.351 0.400 . 311 30 30 THR CA C 66.347 0.400 . 312 30 30 THR CB C 68.157 0.400 . 313 30 30 THR CG2 C 20.363 0.400 . 314 30 30 THR N N 118.439 0.400 . 315 31 31 ILE H H 7.551 0.020 . 316 31 31 ILE HA H 3.403 0.020 . 317 31 31 ILE HB H 1.801 0.020 . 318 31 31 ILE HG12 H 1.556 0.020 . 319 31 31 ILE HG13 H 0.531 0.020 . 320 31 31 ILE HG2 H 0.616 0.020 . 321 31 31 ILE HD1 H 0.546 0.020 . 322 31 31 ILE C C 176.326 0.400 . 323 31 31 ILE CA C 66.885 0.400 . 324 31 31 ILE CB C 38.320 0.400 . 325 31 31 ILE CG1 C 30.633 0.400 . 326 31 31 ILE CG2 C 16.816 0.400 . 327 31 31 ILE CD1 C 14.262 0.400 . 328 31 31 ILE N N 121.530 0.400 . 329 32 32 LEU H H 7.317 0.020 . 330 32 32 LEU HA H 3.871 0.020 . 331 32 32 LEU HB2 H 1.727 0.020 . 332 32 32 LEU HB3 H 1.519 0.020 . 333 32 32 LEU HG H 1.625 0.020 . 334 32 32 LEU HD1 H 0.763 0.020 . 335 32 32 LEU HD2 H 0.822 0.020 . 336 32 32 LEU C C 177.633 0.400 . 337 32 32 LEU CA C 56.846 0.400 . 338 32 32 LEU CB C 42.246 0.400 . 339 32 32 LEU CG C 26.912 0.400 . 340 32 32 LEU CD1 C 24.952 0.400 . 341 32 32 LEU CD2 C 23.934 0.400 . 342 32 32 LEU N N 113.721 0.400 . 343 33 33 SER H H 7.389 0.020 . 344 33 33 SER HA H 4.442 0.020 . 345 33 33 SER HB2 H 3.855 0.020 . 346 33 33 SER HB3 H 3.836 0.020 . 347 33 33 SER C C 173.479 0.400 . 348 33 33 SER CA C 58.210 0.400 . 349 33 33 SER CB C 64.194 0.400 . 350 33 33 SER N N 110.515 0.400 . 351 34 34 ASP H H 7.426 0.020 . 352 34 34 ASP HA H 4.617 0.020 . 353 34 34 ASP HB2 H 3.494 0.020 . 354 34 34 ASP HB3 H 2.854 0.020 . 355 34 34 ASP C C 178.020 0.400 . 356 34 34 ASP CA C 53.652 0.400 . 357 34 34 ASP CB C 42.056 0.400 . 358 34 34 ASP N N 125.920 0.400 . 359 35 35 THR H H 8.689 0.020 . 360 35 35 THR HA H 4.223 0.020 . 361 35 35 THR HB H 4.231 0.020 . 362 35 35 THR HG2 H 1.237 0.020 . 363 35 35 THR C C 175.997 0.400 . 364 35 35 THR CA C 64.686 0.400 . 365 35 35 THR CB C 68.728 0.400 . 366 35 35 THR CG2 C 21.758 0.400 . 367 35 35 THR N N 122.180 0.400 . 368 36 36 GLU H H 8.818 0.020 . 369 36 36 GLU HA H 3.698 0.020 . 370 36 36 GLU HB2 H 0.971 0.020 . 371 36 36 GLU HB3 H 0.607 0.020 . 372 36 36 GLU HG2 H 1.834 0.020 . 373 36 36 GLU HG3 H 1.490 0.020 . 374 36 36 GLU C C 177.497 0.400 . 375 36 36 GLU CA C 59.317 0.400 . 376 36 36 GLU CB C 29.107 0.400 . 377 36 36 GLU CG C 36.927 0.400 . 378 36 36 GLU N N 122.403 0.400 . 379 37 37 PHE H H 7.477 0.020 . 380 37 37 PHE HA H 4.857 0.020 . 381 37 37 PHE HB2 H 3.208 0.020 . 382 37 37 PHE HB3 H 3.077 0.020 . 383 37 37 PHE C C 177.191 0.400 . 384 37 37 PHE CA C 56.463 0.400 . 385 37 37 PHE CB C 41.086 0.400 . 386 37 37 PHE N N 114.348 0.400 . 387 38 38 SER H H 8.546 0.020 . 388 38 38 SER HA H 3.822 0.020 . 389 38 38 SER HB2 H 3.649 0.020 . 390 38 38 SER HB3 H 3.610 0.020 . 391 38 38 SER C C 176.516 0.400 . 392 38 38 SER CA C 61.996 0.400 . 393 38 38 SER CB C 62.761 0.400 . 394 38 38 SER N N 114.722 0.400 . 395 39 39 LEU H H 8.115 0.020 . 396 39 39 LEU HA H 4.213 0.020 . 397 39 39 LEU HB2 H 1.640 0.020 . 398 39 39 LEU HB3 H 1.542 0.020 . 399 39 39 LEU HG H 1.569 0.020 . 400 39 39 LEU HD1 H 0.844 0.020 . 401 39 39 LEU HD2 H 0.795 0.020 . 402 39 39 LEU C C 179.777 0.400 . 403 39 39 LEU CA C 57.171 0.400 . 404 39 39 LEU CB C 41.340 0.400 . 405 39 39 LEU CG C 27.153 0.400 . 406 39 39 LEU CD1 C 23.954 0.400 . 407 39 39 LEU CD2 C 23.863 0.400 . 408 39 39 LEU N N 121.277 0.400 . 409 40 40 ILE H H 7.525 0.020 . 410 40 40 ILE HA H 3.701 0.020 . 411 40 40 ILE HB H 1.737 0.020 . 412 40 40 ILE HG12 H 1.613 0.020 . 413 40 40 ILE HG13 H 1.095 0.020 . 414 40 40 ILE HG2 H 0.845 0.020 . 415 40 40 ILE HD1 H 0.967 0.020 . 416 40 40 ILE C C 178.413 0.400 . 417 40 40 ILE CA C 63.624 0.400 . 418 40 40 ILE CB C 38.778 0.400 . 419 40 40 ILE CG1 C 28.838 0.400 . 420 40 40 ILE CG2 C 18.702 0.400 . 421 40 40 ILE CD1 C 13.733 0.400 . 422 40 40 ILE N N 120.137 0.400 . 423 41 41 LEU H H 7.608 0.020 . 424 41 41 LEU HA H 4.406 0.020 . 425 41 41 LEU HB2 H 1.724 0.020 . 426 41 41 LEU HB3 H 1.509 0.020 . 427 41 41 LEU HG H 1.603 0.020 . 428 41 41 LEU HD1 H 0.776 0.020 . 429 41 41 LEU HD2 H 0.903 0.020 . 430 41 41 LEU C C 176.196 0.400 . 431 41 41 LEU CA C 54.256 0.400 . 432 41 41 LEU CB C 41.891 0.400 . 433 41 41 LEU CG C 27.069 0.400 . 434 41 41 LEU CD1 C 25.972 0.400 . 435 41 41 LEU CD2 C 22.757 0.400 . 436 41 41 LEU N N 117.023 0.400 . 437 42 42 LYS H H 6.645 0.020 . 438 42 42 LYS HA H 4.050 0.020 . 439 42 42 LYS HB2 H 1.976 0.020 . 440 42 42 LYS HB3 H 1.956 0.020 . 441 42 42 LYS HG2 H 1.432 0.020 . 442 42 42 LYS HG3 H 1.248 0.020 . 443 42 42 LYS HD2 H 1.646 0.020 . 444 42 42 LYS HD3 H 1.646 0.020 . 445 42 42 LYS C C 177.139 0.400 . 446 42 42 LYS CA C 59.111 0.400 . 447 42 42 LYS CB C 32.553 0.400 . 448 42 42 LYS CG C 23.603 0.400 . 449 42 42 LYS CD C 29.452 0.400 . 450 42 42 LYS CE C 49.390 0.400 . 451 42 42 LYS N N 116.369 0.400 . 452 43 43 SER H H 8.443 0.020 . 453 43 43 SER HA H 4.407 0.020 . 454 43 43 SER HB2 H 3.754 0.020 . 455 43 43 SER HB3 H 3.637 0.020 . 456 43 43 SER C C 173.754 0.400 . 457 43 43 SER CA C 58.850 0.400 . 458 43 43 SER CB C 63.117 0.400 . 459 43 43 SER N N 115.061 0.400 . 460 44 44 ARG H H 8.036 0.020 . 461 44 44 ARG HA H 4.674 0.020 . 462 44 44 ARG HB2 H 1.924 0.020 . 463 44 44 ARG HB3 H 1.635 0.020 . 464 44 44 ARG HG2 H 1.096 0.020 . 465 44 44 ARG HG3 H 0.695 0.020 . 466 44 44 ARG HD2 H 2.527 0.020 . 467 44 44 ARG HD3 H 2.134 0.020 . 468 44 44 ARG C C 174.410 0.400 . 469 44 44 ARG CA C 52.244 0.400 . 470 44 44 ARG CB C 31.309 0.400 . 471 44 44 ARG CG C 24.842 0.400 . 472 44 44 ARG CD C 41.466 0.400 . 473 44 44 ARG N N 119.658 0.400 . 474 45 45 SER H H 9.180 0.020 . 475 45 45 SER HA H 4.764 0.020 . 476 45 45 SER HB2 H 4.249 0.020 . 477 45 45 SER HB3 H 3.881 0.020 . 478 45 45 SER C C 175.294 0.400 . 479 45 45 SER CA C 55.857 0.400 . 480 45 45 SER CB C 66.828 0.400 . 481 45 45 SER N N 116.676 0.400 . 482 46 46 ASN H H 9.005 0.020 . 483 46 46 ASN HA H 3.954 0.020 . 484 46 46 ASN HB2 H 2.770 0.020 . 485 46 46 ASN HB3 H 2.668 0.020 . 486 46 46 ASN C C 176.356 0.400 . 487 46 46 ASN CA C 57.734 0.400 . 488 46 46 ASN CB C 36.901 0.400 . 489 46 46 ASN N N 118.004 0.400 . 490 47 47 VAL H H 7.329 0.020 . 491 47 47 VAL HA H 3.422 0.020 . 492 47 47 VAL HB H 1.808 0.020 . 493 47 47 VAL HG1 H 0.892 0.020 . 494 47 47 VAL HG2 H 0.833 0.020 . 495 47 47 VAL C C 176.899 0.400 . 496 47 47 VAL CA C 65.439 0.400 . 497 47 47 VAL CB C 31.863 0.400 . 498 47 47 VAL CG1 C 21.911 0.400 . 499 47 47 VAL CG2 C 21.418 0.400 . 500 47 47 VAL N N 119.294 0.400 . 501 48 48 ASP H H 7.597 0.020 . 502 48 48 ASP HA H 4.358 0.020 . 503 48 48 ASP HB2 H 3.276 0.020 . 504 48 48 ASP HB3 H 2.799 0.020 . 505 48 48 ASP C C 179.879 0.400 . 506 48 48 ASP CA C 57.162 0.400 . 507 48 48 ASP CB C 41.040 0.400 . 508 48 48 ASP N N 120.297 0.400 . 509 49 49 LEU H H 7.835 0.020 . 510 49 49 LEU HA H 3.824 0.020 . 511 49 49 LEU HB2 H 1.722 0.020 . 512 49 49 LEU HB3 H 1.439 0.020 . 513 49 49 LEU HG H 2.125 0.020 . 514 49 49 LEU HD1 H 1.131 0.020 . 515 49 49 LEU HD2 H 1.098 0.020 . 516 49 49 LEU C C 176.207 0.400 . 517 49 49 LEU CA C 59.202 0.400 . 518 49 49 LEU CB C 41.113 0.400 . 519 49 49 LEU CG C 28.888 0.400 . 520 49 49 LEU CD1 C 26.131 0.400 . 521 49 49 LEU CD2 C 25.047 0.400 . 522 49 49 LEU N N 119.624 0.400 . 523 50 50 LYS H H 6.788 0.020 . 524 50 50 LYS HA H 2.427 0.020 . 525 50 50 LYS HB2 H 1.450 0.020 . 526 50 50 LYS HB3 H 0.803 0.020 . 527 50 50 LYS HG2 H 1.344 0.020 . 528 50 50 LYS HG3 H 1.108 0.020 . 529 50 50 LYS HE2 H 2.940 0.020 . 530 50 50 LYS HE3 H 2.940 0.020 . 531 50 50 LYS C C 178.745 0.400 . 532 50 50 LYS CA C 59.310 0.400 . 533 50 50 LYS CB C 31.906 0.400 . 534 50 50 LYS CG C 24.274 0.400 . 535 50 50 LYS CE C 41.773 0.400 . 536 50 50 LYS N N 119.306 0.400 . 537 51 51 ASP H H 8.203 0.020 . 538 51 51 ASP HA H 4.167 0.020 . 539 51 51 ASP HB2 H 2.571 0.020 . 540 51 51 ASP HB3 H 2.439 0.020 . 541 51 51 ASP C C 178.461 0.400 . 542 51 51 ASP CA C 56.852 0.400 . 543 51 51 ASP CB C 40.475 0.400 . 544 51 51 ASP N N 118.721 0.400 . 545 52 52 LYS H H 7.842 0.020 . 546 52 52 LYS HA H 3.776 0.020 . 547 52 52 LYS HB2 H 1.337 0.020 . 548 52 52 LYS HB3 H 1.088 0.020 . 549 52 52 LYS HG2 H 0.286 0.020 . 550 52 52 LYS HG3 H 0.233 0.020 . 551 52 52 LYS HD2 H 1.082 0.020 . 552 52 52 LYS HD3 H 1.082 0.020 . 553 52 52 LYS C C 178.328 0.400 . 554 52 52 LYS CA C 56.841 0.400 . 555 52 52 LYS CB C 31.473 0.400 . 556 52 52 LYS CG C 22.971 0.400 . 557 52 52 LYS CD C 27.104 0.400 . 558 52 52 LYS N N 121.009 0.400 . 559 53 53 TRP H H 8.469 0.020 . 560 53 53 TRP HA H 4.121 0.020 . 561 53 53 TRP HB2 H 3.259 0.020 . 562 53 53 TRP HB3 H 3.036 0.020 . 563 53 53 TRP HE1 H 10.725 0.020 . 564 53 53 TRP C C 178.056 0.400 . 565 53 53 TRP CA C 59.505 0.400 . 566 53 53 TRP CB C 30.004 0.400 . 567 53 53 TRP N N 119.577 0.400 . 568 53 53 TRP NE1 N 130.592 0.400 . 569 54 54 ARG H H 7.527 0.020 . 570 54 54 ARG HA H 3.721 0.020 . 571 54 54 ARG HB2 H 1.798 0.020 . 572 54 54 ARG HB3 H 1.798 0.020 . 573 54 54 ARG HG2 H 1.636 0.020 . 574 54 54 ARG HG3 H 1.430 0.020 . 575 54 54 ARG HD2 H 3.053 0.020 . 576 54 54 ARG HD3 H 3.053 0.020 . 577 54 54 ARG C C 177.399 0.400 . 578 54 54 ARG CA C 59.030 0.400 . 579 54 54 ARG CB C 29.401 0.400 . 580 54 54 ARG CG C 27.125 0.400 . 581 54 54 ARG CD C 43.217 0.400 . 582 54 54 ARG N N 117.607 0.400 . 583 55 55 ASN H H 7.242 0.020 . 584 55 55 ASN HA H 4.387 0.020 . 585 55 55 ASN HB2 H 2.621 0.020 . 586 55 55 ASN HB3 H 2.609 0.020 . 587 55 55 ASN C C 176.869 0.400 . 588 55 55 ASN CA C 55.320 0.400 . 589 55 55 ASN CB C 39.679 0.400 . 590 55 55 ASN N N 115.552 0.400 . 591 56 56 ILE H H 7.760 0.020 . 592 56 56 ILE HA H 3.768 0.020 . 593 56 56 ILE HB H 1.410 0.020 . 594 56 56 ILE HG12 H 1.032 0.020 . 595 56 56 ILE HG13 H 0.877 0.020 . 596 56 56 ILE HG2 H 0.357 0.020 . 597 56 56 ILE HD1 H 0.535 0.020 . 598 56 56 ILE C C 176.781 0.400 . 599 56 56 ILE CA C 62.932 0.400 . 600 56 56 ILE CB C 38.341 0.400 . 601 56 56 ILE CG1 C 27.267 0.400 . 602 56 56 ILE CG2 C 16.904 0.400 . 603 56 56 ILE CD1 C 14.061 0.400 . 604 56 56 ILE N N 117.285 0.400 . 605 57 57 SER H H 7.635 0.020 . 606 57 57 SER HA H 3.676 0.020 . 607 57 57 SER HB2 H 3.331 0.020 . 608 57 57 SER HB3 H 2.882 0.020 . 609 57 57 SER C C 174.964 0.400 . 610 57 57 SER CA C 59.435 0.400 . 611 57 57 SER CB C 63.062 0.400 . 612 57 57 SER N N 116.184 0.400 . 613 58 58 VAL H H 7.454 0.020 . 614 58 58 VAL HA H 3.959 0.020 . 615 58 58 VAL HB H 2.053 0.020 . 616 58 58 VAL HG1 H 0.819 0.020 . 617 58 58 VAL HG2 H 0.834 0.020 . 618 58 58 VAL C C 176.787 0.400 . 619 58 58 VAL CA C 63.249 0.400 . 620 58 58 VAL CB C 31.964 0.400 . 621 58 58 VAL CG1 C 20.858 0.400 . 622 58 58 VAL CG2 C 20.661 0.400 . 623 58 58 VAL N N 119.671 0.400 . 624 59 59 THR H H 7.681 0.020 . 625 59 59 THR HA H 3.924 0.020 . 626 59 59 THR HB H 4.033 0.020 . 627 59 59 THR HG2 H 1.005 0.020 . 628 59 59 THR C C 174.839 0.400 . 629 59 59 THR CA C 62.616 0.400 . 630 59 59 THR CB C 69.358 0.400 . 631 59 59 THR CG2 C 21.485 0.400 . 632 59 59 THR N N 114.912 0.400 . 633 60 60 ALA H H 7.939 0.020 . 634 60 60 ALA HA H 4.094 0.020 . 635 60 60 ALA HB H 1.165 0.020 . 636 60 60 ALA C C 177.636 0.400 . 637 60 60 ALA CA C 52.909 0.400 . 638 60 60 ALA CB C 18.757 0.400 . 639 60 60 ALA N N 124.969 0.400 . 640 61 61 LEU H H 7.812 0.020 . 641 61 61 LEU HA H 4.150 0.020 . 642 61 61 LEU HB2 H 1.420 0.020 . 643 61 61 LEU HB3 H 1.325 0.020 . 644 61 61 LEU HG H 1.390 0.020 . 645 61 61 LEU HD1 H 0.770 0.020 . 646 61 61 LEU HD2 H 0.700 0.020 . 647 61 61 LEU C C 177.260 0.400 . 648 61 61 LEU CA C 55.183 0.400 . 649 61 61 LEU CB C 41.901 0.400 . 650 61 61 LEU CG C 26.860 0.400 . 651 61 61 LEU CD1 C 24.790 0.400 . 652 61 61 LEU CD2 C 23.249 0.400 . 653 61 61 LEU N N 119.572 0.400 . 654 62 62 TRP H H 7.851 0.020 . 655 62 62 TRP HA H 4.617 0.020 . 656 62 62 TRP HB2 H 3.247 0.020 . 657 62 62 TRP HB3 H 3.177 0.020 . 658 62 62 TRP HE1 H 10.390 0.020 . 659 62 62 TRP C C 176.752 0.400 . 660 62 62 TRP CA C 57.262 0.400 . 661 62 62 TRP CB C 29.579 0.400 . 662 62 62 TRP N N 120.635 0.400 . 663 62 62 TRP NE1 N 131.411 0.400 . 664 63 63 GLY H H 8.132 0.020 . 665 63 63 GLY HA2 H 3.870 0.020 . 666 63 63 GLY HA3 H 3.780 0.020 . 667 63 63 GLY C C 173.238 0.400 . 668 63 63 GLY CA C 45.357 0.400 . 669 63 63 GLY N N 110.695 0.400 . 670 64 64 SER H H 7.718 0.020 . 671 64 64 SER HA H 4.187 0.020 . 672 64 64 SER HB2 H 3.746 0.020 . 673 64 64 SER HB3 H 3.746 0.020 . 674 64 64 SER CA C 59.834 0.400 . 675 64 64 SER CB C 64.856 0.400 . 676 64 64 SER N N 121.035 0.400 . stop_ save_