data_11609 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the isolated histone H2A-H2B heterodimer ; _BMRB_accession_number 11609 _BMRB_flat_file_name bmr11609.str _Entry_type original _Submission_date 2016-03-28 _Accession_date 2016-04-04 _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 Moriwaki Yoshihito . . 2 Yamane Tsutomu . . 3 Ohtomo Hideaki . . 4 Ikeguchi Mitsunori . . 5 Kurita Jun-ichi . . 6 Sato Masahiko . . 7 Nagadoi Aritaka . . 8 Shimojo Hideaki . . 9 Nishimura Yoshifumi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 243 "13C chemical shifts" 736 "15N chemical shifts" 242 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-05-23 original BMRB . stop_ _Original_release_date 2016-05-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the isolated histone H2A-H2B heterodimer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27181506 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moriwaki Yoshihito . . 2 Yamane Tsutomu . . 3 Ohtomo Hideaki . . 4 Ikeguchi Mitsunori . . 5 Kurita Jun-ichi . . 6 Sato Masahiko . . 7 Nagadoi Aritaka . . 8 Shimojo Hideaki . . 9 Nishimura Yoshifumi . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 24999 _Page_last 24999 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'histone H2A-H2B heterodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14376.907 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; GPGMSGRGKQGGKARAKAKT RSSRAGLQFPVGRVHRLLRK GNYSERVGAGAPVYLAAVLE YLTAEILELAGNAARDNKKT RIIPRHLQLAIRNDEELNKL LGRVTIAQGGVLPNIQAVLL PKKTESHHKAKGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 PRO 3 -1 GLY 4 0 MET 5 1 SER 6 2 GLY 7 3 ARG 8 4 GLY 9 5 LYS 10 6 GLN 11 7 GLY 12 8 GLY 13 9 LYS 14 10 ALA 15 11 ARG 16 12 ALA 17 13 LYS 18 14 ALA 19 15 LYS 20 16 THR 21 17 ARG 22 18 SER 23 19 SER 24 20 ARG 25 21 ALA 26 22 GLY 27 23 LEU 28 24 GLN 29 25 PHE 30 26 PRO 31 27 VAL 32 28 GLY 33 29 ARG 34 30 VAL 35 31 HIS 36 32 ARG 37 33 LEU 38 34 LEU 39 35 ARG 40 36 LYS 41 37 GLY 42 38 ASN 43 39 TYR 44 40 SER 45 41 GLU 46 42 ARG 47 43 VAL 48 44 GLY 49 45 ALA 50 46 GLY 51 47 ALA 52 48 PRO 53 49 VAL 54 50 TYR 55 51 LEU 56 52 ALA 57 53 ALA 58 54 VAL 59 55 LEU 60 56 GLU 61 57 TYR 62 58 LEU 63 59 THR 64 60 ALA 65 61 GLU 66 62 ILE 67 63 LEU 68 64 GLU 69 65 LEU 70 66 ALA 71 67 GLY 72 68 ASN 73 69 ALA 74 70 ALA 75 71 ARG 76 72 ASP 77 73 ASN 78 74 LYS 79 75 LYS 80 76 THR 81 77 ARG 82 78 ILE 83 79 ILE 84 80 PRO 85 81 ARG 86 82 HIS 87 83 LEU 88 84 GLN 89 85 LEU 90 86 ALA 91 87 ILE 92 88 ARG 93 89 ASN 94 90 ASP 95 91 GLU 96 92 GLU 97 93 LEU 98 94 ASN 99 95 LYS 100 96 LEU 101 97 LEU 102 98 GLY 103 99 ARG 104 100 VAL 105 101 THR 106 102 ILE 107 103 ALA 108 104 GLN 109 105 GLY 110 106 GLY 111 107 VAL 112 108 LEU 113 109 PRO 114 110 ASN 115 111 ILE 116 112 GLN 117 113 ALA 118 114 VAL 119 115 LEU 120 116 LEU 121 117 PRO 122 118 LYS 123 119 LYS 124 120 THR 125 121 GLU 126 122 SER 127 123 HIS 128 124 HIS 129 125 LYS 130 126 ALA 131 127 LYS 132 128 GLY 133 129 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 14146.588 _Mol_thiol_state 'all free' _Details . _Residue_count 129 _Mol_residue_sequence ; GPGMPEPAKSAPAPKKGSKK AVTKAQKKDGKKRKRSRKES YSIYVYKVLKQVHPDTGISS KAMGIMNSFVNDIFERIAGE ASRLAHYNKRSTITSREIQT AVRLLLPGELAKHAVSEGTK AVTKYTSAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 PRO 3 -1 GLY 4 0 MET 5 1 PRO 6 2 GLU 7 3 PRO 8 4 ALA 9 5 LYS 10 6 SER 11 7 ALA 12 8 PRO 13 9 ALA 14 10 PRO 15 11 LYS 16 12 LYS 17 13 GLY 18 14 SER 19 15 LYS 20 16 LYS 21 17 ALA 22 18 VAL 23 19 THR 24 20 LYS 25 21 ALA 26 22 GLN 27 23 LYS 28 24 LYS 29 25 ASP 30 26 GLY 31 27 LYS 32 28 LYS 33 29 ARG 34 30 LYS 35 31 ARG 36 32 SER 37 33 ARG 38 34 LYS 39 35 GLU 40 36 SER 41 37 TYR 42 38 SER 43 39 ILE 44 40 TYR 45 41 VAL 46 42 TYR 47 43 LYS 48 44 VAL 49 45 LEU 50 46 LYS 51 47 GLN 52 48 VAL 53 49 HIS 54 50 PRO 55 51 ASP 56 52 THR 57 53 GLY 58 54 ILE 59 55 SER 60 56 SER 61 57 LYS 62 58 ALA 63 59 MET 64 60 GLY 65 61 ILE 66 62 MET 67 63 ASN 68 64 SER 69 65 PHE 70 66 VAL 71 67 ASN 72 68 ASP 73 69 ILE 74 70 PHE 75 71 GLU 76 72 ARG 77 73 ILE 78 74 ALA 79 75 GLY 80 76 GLU 81 77 ALA 82 78 SER 83 79 ARG 84 80 LEU 85 81 ALA 86 82 HIS 87 83 TYR 88 84 ASN 89 85 LYS 90 86 ARG 91 87 SER 92 88 THR 93 89 ILE 94 90 THR 95 91 SER 96 92 ARG 97 93 GLU 98 94 ILE 99 95 GLN 100 96 THR 101 97 ALA 102 98 VAL 103 99 ARG 104 100 LEU 105 101 LEU 106 102 LEU 107 103 PRO 108 104 GLY 109 105 GLU 110 106 LEU 111 107 ALA 112 108 LYS 113 109 HIS 114 110 ALA 115 111 VAL 116 112 SER 117 113 GLU 118 114 GLY 119 115 THR 120 116 LYS 121 117 ALA 122 118 VAL 123 119 THR 124 120 LYS 125 121 TYR 126 122 THR 127 123 SER 128 124 ALA 129 125 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pET-23b $entity_2 'recombinant technology' . Escherichia coli . pET-23b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 . mM 0.1 0.3 '[U-13C; U-15N; U-2H]' $entity_2 . mM 0.1 0.3 '[U-13C; U-15N; U-2H]' MES 25 mM . . 'natural abundance' KCl 400 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CS-Rosetta _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_TROSY-HN(CO)CACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CACB _Sample_label $sample_1 save_ save_TROSY-HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCACB _Sample_label $sample_1 save_ save_TROSY-HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CA)CO _Sample_label $sample_1 save_ save_TROSY-HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCO _Sample_label $sample_1 save_ save_HCCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH _Sample_label $sample_1 save_ save_TROSY-1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY-1H-15N HSQC' _Sample_label $sample_1 save_ save_TROSY-1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY-1H-13C HSQC' _Sample_label $sample_1 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' 400 . mM pH 6.0 . pH pressure 1 . atm temperature 293 . 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 TROSY-HN(CO)CACB TROSY-HNCACB TROSY-HN(CA)CO TROSY-HNCO HCCCONH 'TROSY-1H-15N HSQC' 'TROSY-1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -2 2 PRO C C 177.548 0.276 1 2 -2 2 PRO CA C 62.993 0.986 1 3 -2 2 PRO CB C 31.406 0.986 1 4 -1 3 GLY H H 8.541 0.012 1 5 -1 3 GLY C C 174.366 0.276 1 6 -1 3 GLY CA C 44.828 0.986 1 7 -1 3 GLY N N 110.514 0.188 1 8 0 4 MET H H 8.260 0.012 1 9 0 4 MET C C 176.730 0.276 1 10 0 4 MET CA C 55.138 0.986 1 11 0 4 MET CB C 31.934 0.986 1 12 0 4 MET N N 120.866 0.188 1 13 1 5 SER H H 8.386 0.012 1 14 1 5 SER C C 175.203 0.276 1 15 1 5 SER CA C 58.292 0.986 1 16 1 5 SER CB C 63.375 0.986 1 17 1 5 SER N N 117.729 0.188 1 18 2 6 GLY H H 8.401 0.012 1 19 2 6 GLY C C 174.362 0.276 1 20 2 6 GLY CA C 44.920 0.986 1 21 2 6 GLY N N 111.579 0.188 1 22 3 7 ARG H H 8.152 0.012 1 23 3 7 ARG C C 177.127 0.276 1 24 3 7 ARG CA C 56.112 0.986 1 25 3 7 ARG CB C 29.588 0.986 1 26 3 7 ARG N N 121.108 0.188 1 27 4 8 GLY H H 8.420 0.012 1 28 4 8 GLY C C 174.344 0.276 1 29 4 8 GLY CA C 44.780 0.986 1 30 4 8 GLY N N 110.586 0.188 1 31 5 9 LYS H H 8.206 0.012 1 32 5 9 LYS C C 177.046 0.276 1 33 5 9 LYS CA C 56.070 0.986 1 34 5 9 LYS CB C 31.836 0.986 1 35 5 9 LYS N N 121.771 0.188 1 36 6 10 GLN H H 8.469 0.012 1 37 6 10 GLN C C 176.702 0.276 1 38 6 10 GLN CA C 55.728 0.986 1 39 6 10 GLN CB C 28.451 0.986 1 40 6 10 GLN N N 122.070 0.188 1 41 7 11 GLY H H 8.405 0.012 1 42 7 11 GLY C C 174.791 0.276 1 43 7 11 GLY CA C 44.870 0.986 1 44 7 11 GLY N N 110.951 0.188 1 45 8 12 GLY H H 8.250 0.012 1 46 8 12 GLY C C 174.375 0.276 1 47 8 12 GLY CA C 44.826 0.986 1 48 8 12 GLY N N 109.623 0.188 1 49 9 13 LYS H H 8.167 0.012 1 50 9 13 LYS C C 176.720 0.276 1 51 9 13 LYS CA C 55.941 0.986 1 52 9 13 LYS CB C 31.935 0.986 1 53 9 13 LYS N N 121.833 0.188 1 54 10 14 ALA H H 8.268 0.012 1 55 10 14 ALA C C 177.981 0.276 1 56 10 14 ALA CA C 52.197 0.986 1 57 10 14 ALA CB C 18.246 0.986 1 58 10 14 ALA N N 125.795 0.188 1 59 11 15 ARG H H 8.243 0.012 1 60 11 15 ARG C C 176.419 0.276 1 61 11 15 ARG CA C 55.908 0.986 1 62 11 15 ARG CB C 29.721 0.986 1 63 11 15 ARG N N 121.476 0.188 1 64 12 16 ALA H H 8.250 0.012 1 65 12 16 ALA C C 177.911 0.276 1 66 12 16 ALA CA C 52.285 0.986 1 67 12 16 ALA CB C 18.452 0.986 1 68 12 16 ALA N N 126.109 0.188 1 69 13 17 LYS H H 8.232 0.012 1 70 13 17 LYS C C 176.582 0.276 1 71 13 17 LYS CA C 55.991 0.986 1 72 13 17 LYS CB C 31.928 0.986 1 73 13 17 LYS N N 121.678 0.188 1 74 14 18 ALA H H 8.260 0.012 1 75 14 18 ALA C C 177.961 0.276 1 76 14 18 ALA CA C 52.341 0.986 1 77 14 18 ALA CB C 18.247 0.986 1 78 14 18 ALA N N 126.109 0.188 1 79 15 19 LYS H H 8.357 0.012 1 80 15 19 LYS C C 177.070 0.276 1 81 15 19 LYS CA C 55.940 0.986 1 82 15 19 LYS CB C 31.942 0.986 1 83 15 19 LYS N N 121.953 0.188 1 84 16 20 THR H H 8.187 0.012 1 85 16 20 THR C C 175.066 0.276 1 86 16 20 THR CA C 61.181 0.986 1 87 16 20 THR CB C 70.047 0.986 1 88 16 20 THR N N 115.629 0.188 1 89 17 21 ARG H H 8.560 0.012 1 90 17 21 ARG C C 176.935 0.276 1 91 17 21 ARG CA C 57.238 0.986 1 92 17 21 ARG CB C 29.948 0.986 1 93 17 21 ARG N N 123.906 0.188 1 94 18 22 SER H H 8.399 0.012 1 95 18 22 SER C C 175.243 0.276 1 96 18 22 SER CA C 59.346 0.986 1 97 18 22 SER N N 117.119 0.188 1 98 19 23 SER H H 8.333 0.012 1 99 19 23 SER C C 174.726 0.276 1 100 19 23 SER CA C 58.596 0.986 1 101 19 23 SER CB C 63.326 0.986 1 102 19 23 SER N N 119.369 0.188 1 103 20 24 ARG H H 8.294 0.012 1 104 20 24 ARG C C 176.173 0.276 1 105 20 24 ARG CA C 56.017 0.986 1 106 20 24 ARG CB C 29.295 0.986 1 107 20 24 ARG N N 123.565 0.188 1 108 21 25 ALA H H 8.533 0.012 9 109 21 25 ALA C C 177.031 0.276 9 110 21 25 ALA CA C 52.054 0.986 9 111 21 25 ALA CB C 19.159 0.986 9 112 21 25 ALA N N 126.891 0.188 9 113 22 26 GLY H H 7.974 0.012 1 114 22 26 GLY C C 173.899 0.276 1 115 22 26 GLY CA C 44.749 0.986 1 116 22 26 GLY N N 107.868 0.188 1 117 23 27 LEU H H 8.008 0.012 1 118 23 27 LEU CA C 54.278 0.986 1 119 23 27 LEU CB C 42.521 0.986 1 120 23 27 LEU N N 121.117 0.188 1 121 26 30 PRO C C 175.842 0.276 9 122 27 31 VAL H H 8.203 0.012 1 123 27 31 VAL C C 177.893 0.276 1 124 27 31 VAL CA C 66.474 0.986 1 125 27 31 VAL CB C 30.511 0.986 1 126 27 31 VAL N N 128.793 0.188 1 127 28 32 GLY H H 8.777 0.012 1 128 28 32 GLY C C 177.137 0.276 1 129 28 32 GLY CA C 46.751 0.986 1 130 28 32 GLY N N 108.467 0.188 1 131 29 33 ARG H H 7.288 0.012 1 132 29 33 ARG C C 178.241 0.276 1 133 29 33 ARG CA C 57.762 0.986 1 134 29 33 ARG CB C 28.597 0.986 1 135 29 33 ARG N N 122.181 0.188 1 136 30 34 VAL H H 7.730 0.012 1 137 30 34 VAL C C 177.500 0.276 1 138 30 34 VAL CA C 66.896 0.986 1 139 30 34 VAL CB C 29.965 0.986 1 140 30 34 VAL N N 119.816 0.188 1 141 31 35 HIS H H 8.714 0.012 1 142 31 35 HIS C C 177.384 0.276 1 143 31 35 HIS CA C 59.690 0.986 1 144 31 35 HIS CB C 30.757 0.986 1 145 31 35 HIS N N 120.545 0.188 1 146 32 36 ARG H H 8.020 0.012 1 147 32 36 ARG C C 179.027 0.276 1 148 32 36 ARG CA C 59.828 0.986 1 149 32 36 ARG CB C 28.990 0.986 1 150 32 36 ARG N N 119.205 0.188 1 151 33 37 LEU H H 8.379 0.012 1 152 33 37 LEU C C 181.339 0.276 1 153 33 37 LEU CA C 57.529 0.986 1 154 33 37 LEU CB C 44.975 0.986 1 155 33 37 LEU N N 120.346 0.188 1 156 34 38 LEU H H 8.420 0.012 1 157 34 38 LEU C C 178.942 0.276 1 158 34 38 LEU CA C 57.388 0.986 1 159 34 38 LEU CB C 41.876 0.986 1 160 34 38 LEU N N 120.424 0.188 1 161 35 39 ARG H H 7.995 0.012 1 162 35 39 ARG C C 179.353 0.276 1 163 35 39 ARG CA C 57.977 0.986 1 164 35 39 ARG CB C 29.504 0.986 1 165 35 39 ARG N N 118.672 0.188 1 166 36 40 LYS C C 177.974 0.276 9 167 37 41 GLY H H 7.577 0.012 1 168 37 41 GLY C C 173.043 0.276 1 169 37 41 GLY CA C 44.901 0.986 1 170 37 41 GLY N N 104.641 0.188 1 171 38 42 ASN H H 7.887 0.012 1 172 38 42 ASN C C 174.920 0.276 1 173 38 42 ASN CA C 53.639 0.986 1 174 38 42 ASN CB C 36.192 0.986 1 175 38 42 ASN N N 116.012 0.188 1 176 39 43 TYR H H 7.789 0.012 1 177 39 43 TYR C C 176.408 0.276 1 178 39 43 TYR CA C 59.646 0.986 1 179 39 43 TYR CB C 37.884 0.986 1 180 39 43 TYR N N 117.496 0.188 1 181 40 44 SER H H 8.008 0.012 1 182 40 44 SER C C 173.319 0.276 1 183 40 44 SER CA C 58.083 0.986 1 184 40 44 SER CB C 62.960 0.986 1 185 40 44 SER N N 112.299 0.188 1 186 41 45 GLU H H 8.497 0.012 1 187 41 45 GLU C C 177.268 0.276 1 188 41 45 GLU CA C 58.674 0.986 1 189 41 45 GLU CB C 29.429 0.986 1 190 41 45 GLU N N 122.123 0.188 1 191 42 46 ARG H H 8.081 0.012 1 192 42 46 ARG C C 175.820 0.276 1 193 42 46 ARG CA C 54.312 0.986 1 194 42 46 ARG CB C 32.728 0.986 1 195 42 46 ARG N N 115.955 0.188 1 196 43 47 VAL H H 8.887 0.012 1 197 43 47 VAL C C 175.906 0.276 1 198 43 47 VAL CA C 60.932 0.986 1 199 43 47 VAL CB C 33.492 0.986 1 200 43 47 VAL N N 125.253 0.188 1 201 44 48 GLY H H 9.091 0.012 1 202 44 48 GLY C C 174.398 0.276 1 203 44 48 GLY CA C 44.987 0.986 1 204 44 48 GLY N N 116.725 0.188 1 205 45 49 ALA H H 8.506 0.012 1 206 45 49 ALA C C 179.204 0.276 1 207 45 49 ALA CA C 54.755 0.986 1 208 45 49 ALA CB C 18.026 0.986 1 209 45 49 ALA N N 123.009 0.188 1 210 46 50 GLY H H 8.609 0.012 1 211 46 50 GLY C C 175.483 0.276 1 212 46 50 GLY CA C 45.213 0.986 1 213 46 50 GLY N N 105.477 0.188 1 214 47 51 ALA H H 7.419 0.012 1 215 47 51 ALA C C 175.270 0.276 1 216 47 51 ALA CA C 56.116 0.986 1 217 47 51 ALA CB C 15.207 0.986 1 218 47 51 ALA N N 125.030 0.188 1 219 48 52 PRO C C 177.331 0.276 1 220 48 52 PRO CA C 64.927 0.986 1 221 48 52 PRO CB C 31.181 0.986 1 222 49 53 VAL H H 6.208 0.012 1 223 49 53 VAL C C 176.149 0.276 1 224 49 53 VAL CA C 65.027 0.986 1 225 49 53 VAL CB C 30.379 0.986 1 226 49 53 VAL N N 118.853 0.188 1 227 50 54 TYR H H 7.879 0.012 1 228 50 54 TYR C C 178.798 0.276 1 229 50 54 TYR CA C 60.040 0.986 1 230 50 54 TYR CB C 37.587 0.986 1 231 50 54 TYR N N 120.690 0.188 1 232 51 55 LEU H H 8.280 0.012 1 233 51 55 LEU CA C 57.878 0.986 1 234 51 55 LEU CB C 40.949 0.986 1 235 51 55 LEU N N 116.102 0.188 1 236 52 56 ALA H H 8.428 0.012 1 237 52 56 ALA C C 178.463 0.276 1 238 52 56 ALA CA C 55.480 0.986 1 239 52 56 ALA CB C 17.182 0.986 1 240 52 56 ALA N N 121.302 0.188 1 241 53 57 ALA H H 7.777 0.012 1 242 53 57 ALA C C 180.622 0.276 1 243 53 57 ALA CA C 54.298 0.986 1 244 53 57 ALA CB C 18.260 0.986 1 245 53 57 ALA N N 119.188 0.188 1 246 54 58 VAL H H 7.868 0.012 1 247 54 58 VAL C C 177.276 0.276 1 248 54 58 VAL CA C 67.111 0.986 1 249 54 58 VAL CB C 30.870 0.986 1 250 54 58 VAL N N 120.523 0.188 1 251 55 59 LEU H H 8.242 0.012 1 252 55 59 LEU C C 179.483 0.276 1 253 55 59 LEU CA C 57.427 0.986 1 254 55 59 LEU CB C 40.123 0.986 1 255 55 59 LEU N N 118.799 0.188 1 256 56 60 GLU H H 8.086 0.012 1 257 56 60 GLU C C 176.877 0.276 1 258 56 60 GLU CA C 59.786 0.986 1 259 56 60 GLU CB C 28.544 0.986 1 260 56 60 GLU N N 123.212 0.188 1 261 57 61 TYR H H 7.849 0.012 1 262 57 61 TYR C C 176.870 0.276 1 263 57 61 TYR CA C 60.358 0.986 1 264 57 61 TYR CB C 37.260 0.986 1 265 57 61 TYR N N 119.949 0.188 1 266 58 62 LEU H H 8.019 0.012 1 267 58 62 LEU C C 178.128 0.276 1 268 58 62 LEU CA C 57.266 0.986 1 269 58 62 LEU CB C 40.969 0.986 1 270 58 62 LEU N N 117.869 0.188 1 271 59 63 THR H H 7.747 0.012 9 272 59 63 THR C C 176.685 0.276 9 273 59 63 THR CA C 61.930 0.986 9 274 59 63 THR CB C 69.403 0.986 9 275 59 63 THR N N 115.836 0.188 9 276 60 64 ALA H H 8.395 0.012 1 277 60 64 ALA C C 179.274 0.276 1 278 60 64 ALA CA C 55.618 0.986 1 279 60 64 ALA CB C 16.692 0.986 1 280 60 64 ALA N N 124.065 0.188 1 281 61 65 GLU H H 7.972 0.012 1 282 61 65 GLU C C 178.639 0.276 1 283 61 65 GLU CA C 58.703 0.986 1 284 61 65 GLU CB C 27.683 0.986 1 285 61 65 GLU N N 119.968 0.188 1 286 62 66 ILE H H 7.947 0.012 1 287 62 66 ILE C C 178.318 0.276 1 288 62 66 ILE CA C 65.329 0.986 1 289 62 66 ILE CB C 37.944 0.986 1 290 62 66 ILE N N 117.922 0.188 1 291 63 67 LEU H H 8.409 0.012 1 292 63 67 LEU C C 180.247 0.276 1 293 63 67 LEU CA C 57.487 0.986 1 294 63 67 LEU CB C 41.087 0.986 1 295 63 67 LEU N N 117.178 0.188 1 296 64 68 GLU H H 9.022 0.012 1 297 64 68 GLU C C 180.054 0.276 1 298 64 68 GLU CA C 59.142 0.986 1 299 64 68 GLU CB C 27.852 0.986 1 300 64 68 GLU N N 123.522 0.188 1 301 65 69 LEU H H 7.633 0.012 1 302 65 69 LEU C C 180.923 0.276 1 303 65 69 LEU CA C 57.804 0.986 1 304 65 69 LEU CB C 41.068 0.986 1 305 65 69 LEU N N 119.960 0.188 1 306 66 70 ALA H H 9.392 0.012 1 307 66 70 ALA C C 179.625 0.276 1 308 66 70 ALA CA C 54.655 0.986 1 309 66 70 ALA CB C 18.109 0.986 1 310 66 70 ALA N N 125.043 0.188 1 311 67 71 GLY H H 8.791 0.012 1 312 67 71 GLY C C 175.601 0.276 1 313 67 71 GLY CA C 45.217 0.986 1 314 67 71 GLY N N 105.671 0.188 1 315 68 72 ASN H H 7.611 0.012 1 316 68 72 ASN C C 176.754 0.276 1 317 68 72 ASN CA C 55.055 0.986 1 318 68 72 ASN CB C 36.222 0.986 1 319 68 72 ASN N N 123.911 0.188 1 320 69 73 ALA H H 7.445 0.012 1 321 69 73 ALA C C 180.098 0.276 1 322 69 73 ALA CA C 54.563 0.986 1 323 69 73 ALA CB C 16.312 0.986 1 324 69 73 ALA N N 123.546 0.188 1 325 70 74 ALA H H 7.671 0.012 1 326 70 74 ALA C C 179.137 0.276 1 327 70 74 ALA CA C 54.654 0.986 1 328 70 74 ALA CB C 16.215 0.986 1 329 70 74 ALA N N 122.731 0.188 1 330 71 75 ARG H H 7.663 0.012 1 331 71 75 ARG C C 181.378 0.276 1 332 71 75 ARG CA C 58.589 0.986 1 333 71 75 ARG CB C 28.208 0.986 1 334 71 75 ARG N N 119.852 0.188 1 335 72 76 ASP H H 8.491 0.012 1 336 72 76 ASP C C 176.776 0.276 1 337 72 76 ASP CA C 56.630 0.986 1 338 72 76 ASP CB C 39.373 0.986 1 339 72 76 ASP N N 123.159 0.188 1 340 73 77 ASN H H 7.327 0.012 1 341 73 77 ASN C C 173.256 0.276 1 342 73 77 ASN CA C 52.406 0.986 1 343 73 77 ASN CB C 40.015 0.986 1 344 73 77 ASN N N 117.520 0.188 1 345 74 78 LYS H H 8.086 0.012 1 346 74 78 LYS C C 175.490 0.276 1 347 74 78 LYS CA C 56.625 0.986 1 348 74 78 LYS CB C 27.668 0.986 1 349 74 78 LYS N N 115.855 0.188 1 350 75 79 LYS H H 8.145 0.012 1 351 75 79 LYS C C 177.098 0.276 1 352 75 79 LYS CA C 52.610 0.986 1 353 75 79 LYS CB C 33.365 0.986 1 354 75 79 LYS N N 117.369 0.188 1 355 76 80 THR H H 8.498 0.012 1 356 76 80 THR C C 173.532 0.276 1 357 76 80 THR CA C 60.981 0.986 1 358 76 80 THR CB C 68.850 0.986 1 359 76 80 THR N N 110.241 0.188 1 360 77 81 ARG H H 7.044 0.012 1 361 77 81 ARG C C 173.962 0.276 1 362 77 81 ARG CA C 54.241 0.986 1 363 77 81 ARG CB C 32.387 0.986 1 364 77 81 ARG N N 119.808 0.188 1 365 78 82 ILE H H 8.477 0.012 1 366 78 82 ILE C C 174.927 0.276 1 367 78 82 ILE CA C 61.014 0.986 1 368 78 82 ILE CB C 38.908 0.986 1 369 78 82 ILE N N 125.251 0.188 1 370 79 83 ILE H H 8.905 0.012 1 371 79 83 ILE C C 176.042 0.276 1 372 79 83 ILE CA C 59.030 0.986 1 373 79 83 ILE CB C 35.867 0.986 1 374 79 83 ILE N N 125.270 0.188 1 375 80 84 PRO C C 177.536 0.276 1 376 80 84 PRO CA C 67.446 0.986 1 377 80 84 PRO CB C 30.797 0.986 1 378 81 85 ARG H H 8.401 0.012 1 379 81 85 ARG C C 177.710 0.276 1 380 81 85 ARG CA C 58.624 0.986 1 381 81 85 ARG CB C 28.946 0.986 1 382 81 85 ARG N N 116.632 0.188 1 383 82 86 HIS H H 7.324 0.012 1 384 82 86 HIS C C 178.505 0.276 1 385 82 86 HIS CA C 58.066 0.986 1 386 82 86 HIS CB C 31.481 0.986 1 387 82 86 HIS N N 118.310 0.188 1 388 83 87 LEU H H 7.075 0.012 1 389 83 87 LEU C C 177.559 0.276 1 390 83 87 LEU CA C 57.620 0.986 1 391 83 87 LEU CB C 40.981 0.986 1 392 83 87 LEU N N 117.458 0.188 1 393 84 88 GLN H H 8.056 0.012 1 394 84 88 GLN C C 178.568 0.276 1 395 84 88 GLN CA C 58.588 0.986 1 396 84 88 GLN CB C 27.863 0.986 1 397 84 88 GLN N N 117.079 0.188 1 398 85 89 LEU H H 8.139 0.012 1 399 85 89 LEU C C 178.267 0.276 1 400 85 89 LEU CA C 57.391 0.986 1 401 85 89 LEU CB C 41.359 0.986 1 402 85 89 LEU N N 119.991 0.188 1 403 86 90 ALA H H 7.753 0.012 1 404 86 90 ALA C C 179.260 0.276 1 405 86 90 ALA CA C 53.980 0.986 1 406 86 90 ALA CB C 17.240 0.986 1 407 86 90 ALA N N 120.134 0.188 1 408 87 91 ILE H H 7.583 0.012 1 409 87 91 ILE C C 176.528 0.276 1 410 87 91 ILE CA C 63.271 0.986 1 411 87 91 ILE CB C 36.870 0.986 1 412 87 91 ILE N N 114.223 0.188 1 413 88 92 ARG H H 7.832 0.012 1 414 88 92 ARG C C 178.599 0.276 1 415 88 92 ARG CA C 57.934 0.986 1 416 88 92 ARG CB C 29.451 0.986 1 417 88 92 ARG N N 115.318 0.188 1 418 89 93 ASN H H 7.672 0.012 1 419 89 93 ASN C C 173.898 0.276 1 420 89 93 ASN CA C 53.550 0.986 1 421 89 93 ASN CB C 37.979 0.986 1 422 89 93 ASN N N 113.713 0.188 1 423 90 94 ASP H H 7.286 0.012 1 424 90 94 ASP C C 174.119 0.276 1 425 90 94 ASP CA C 52.848 0.986 1 426 90 94 ASP CB C 43.732 0.986 1 427 90 94 ASP N N 122.817 0.188 1 428 91 95 GLU H H 8.845 0.012 1 429 91 95 GLU C C 179.207 0.276 1 430 91 95 GLU CA C 59.805 0.986 1 431 91 95 GLU CB C 28.897 0.986 1 432 91 95 GLU N N 126.796 0.188 1 433 92 96 GLU H H 8.101 0.012 1 434 92 96 GLU C C 178.999 0.276 1 435 92 96 GLU CA C 60.221 0.986 1 436 92 96 GLU CB C 28.038 0.986 1 437 92 96 GLU N N 118.126 0.188 1 438 93 97 LEU H H 9.176 0.012 1 439 93 97 LEU C C 179.343 0.276 1 440 93 97 LEU CA C 57.782 0.986 1 441 93 97 LEU CB C 40.665 0.986 1 442 93 97 LEU N N 121.546 0.188 1 443 94 98 ASN H H 9.002 0.012 1 444 94 98 ASN C C 179.225 0.276 1 445 94 98 ASN CA C 56.791 0.986 1 446 94 98 ASN CB C 38.214 0.986 1 447 94 98 ASN N N 119.638 0.188 1 448 95 99 LYS H H 7.552 0.012 1 449 95 99 LYS C C 178.581 0.276 1 450 95 99 LYS CA C 58.582 0.986 1 451 95 99 LYS CB C 31.485 0.986 1 452 95 99 LYS N N 120.110 0.188 1 453 96 100 LEU H H 7.863 0.012 1 454 96 100 LEU C C 178.021 0.276 1 455 96 100 LEU CA C 57.222 0.986 1 456 96 100 LEU CB C 42.553 0.986 1 457 96 100 LEU N N 119.451 0.188 1 458 97 101 LEU H H 8.664 0.012 1 459 97 101 LEU C C 178.353 0.276 1 460 97 101 LEU CA C 54.547 0.986 1 461 97 101 LEU CB C 42.093 0.986 1 462 97 101 LEU N N 116.347 0.188 1 463 98 102 GLY H H 8.008 0.012 1 464 98 102 GLY C C 174.487 0.276 1 465 98 102 GLY CA C 46.217 0.986 1 466 98 102 GLY N N 110.330 0.188 1 467 99 103 ARG H H 8.137 0.012 1 468 99 103 ARG C C 176.979 0.276 1 469 99 103 ARG CA C 55.842 0.986 1 470 99 103 ARG CB C 29.066 0.986 1 471 99 103 ARG N N 118.932 0.188 1 472 100 104 VAL H H 7.803 0.012 1 473 100 104 VAL C C 176.342 0.276 1 474 100 104 VAL CA C 62.460 0.986 1 475 100 104 VAL CB C 31.465 0.986 1 476 100 104 VAL N N 121.709 0.188 1 477 101 105 THR H H 8.297 0.012 1 478 101 105 THR C C 174.665 0.276 1 479 101 105 THR CA C 62.258 0.986 1 480 101 105 THR CB C 69.238 0.986 1 481 101 105 THR N N 120.665 0.188 1 482 102 106 ILE H H 8.224 0.012 1 483 102 106 ILE C C 176.038 0.276 1 484 102 106 ILE CA C 60.908 0.986 1 485 102 106 ILE CB C 37.831 0.986 1 486 102 106 ILE N N 124.483 0.188 1 487 103 107 ALA H H 8.226 0.012 1 488 103 107 ALA C C 177.640 0.276 1 489 103 107 ALA CA C 52.210 0.986 1 490 103 107 ALA CB C 18.202 0.986 1 491 103 107 ALA N N 127.819 0.188 1 492 104 108 GLN H H 8.278 0.012 1 493 104 108 GLN C C 176.582 0.276 1 494 104 108 GLN CA C 55.616 0.986 1 495 104 108 GLN CB C 28.488 0.986 1 496 104 108 GLN N N 120.115 0.188 1 497 105 109 GLY H H 8.338 0.012 1 498 105 109 GLY C C 174.505 0.276 1 499 105 109 GLY CA C 44.847 0.986 1 500 105 109 GLY N N 110.414 0.188 1 501 106 110 GLY H H 8.187 0.012 1 502 106 110 GLY C C 173.790 0.276 1 503 106 110 GLY CA C 44.695 0.986 1 504 106 110 GLY N N 109.448 0.188 1 505 107 111 VAL H H 7.950 0.012 1 506 107 111 VAL C C 176.175 0.276 1 507 107 111 VAL CA C 61.588 0.986 1 508 107 111 VAL CB C 31.898 0.986 1 509 107 111 VAL N N 119.639 0.188 1 510 108 112 LEU H H 8.336 0.012 1 511 108 112 LEU C C 175.209 0.276 1 512 108 112 LEU CA C 52.603 0.986 1 513 108 112 LEU CB C 40.610 0.986 1 514 108 112 LEU N N 128.029 0.188 1 515 109 113 PRO C C 176.579 0.276 1 516 109 113 PRO CA C 62.670 0.986 1 517 109 113 PRO CB C 31.163 0.986 1 518 110 114 ASN H H 8.416 0.012 1 519 110 114 ASN C C 175.343 0.276 1 520 110 114 ASN CA C 52.815 0.986 1 521 110 114 ASN CB C 37.977 0.986 1 522 110 114 ASN N N 119.399 0.188 1 523 111 115 ILE H H 8.064 0.012 1 524 111 115 ILE C C 176.221 0.276 1 525 111 115 ILE CA C 60.782 0.986 1 526 111 115 ILE CB C 37.730 0.986 1 527 111 115 ILE N N 122.054 0.188 1 528 112 116 GLN H H 8.332 0.012 1 529 112 116 GLN C C 175.640 0.276 1 530 112 116 GLN CA C 55.394 0.986 1 531 112 116 GLN CB C 28.486 0.986 1 532 112 116 GLN N N 124.688 0.188 1 533 113 117 ALA H H 8.210 0.012 1 534 113 117 ALA C C 177.612 0.276 1 535 113 117 ALA CA C 52.189 0.986 1 536 113 117 ALA CB C 18.286 0.986 1 537 113 117 ALA N N 126.206 0.188 1 538 114 118 VAL H H 8.012 0.012 1 539 114 118 VAL C C 175.890 0.276 1 540 114 118 VAL CA C 61.935 0.986 1 541 114 118 VAL CB C 31.760 0.986 1 542 114 118 VAL N N 120.270 0.188 1 543 115 119 LEU H H 8.214 0.012 1 544 115 119 LEU C C 176.724 0.276 1 545 115 119 LEU CA C 54.339 0.986 1 546 115 119 LEU CB C 41.256 0.986 1 547 115 119 LEU N N 126.931 0.188 1 548 116 120 LEU H H 8.167 0.012 1 549 116 120 LEU C C 175.079 0.276 1 550 116 120 LEU CA C 52.307 0.986 1 551 116 120 LEU CB C 40.817 0.986 1 552 116 120 LEU N N 125.625 0.188 1 553 117 121 PRO C C 176.849 0.276 1 554 117 121 PRO CA C 62.503 0.986 1 555 117 121 PRO CB C 31.118 0.986 1 556 118 122 LYS H H 8.349 0.012 1 557 118 122 LYS C C 176.861 0.276 1 558 118 122 LYS CA C 55.875 0.986 1 559 118 122 LYS CB C 31.938 0.986 1 560 118 122 LYS N N 122.687 0.188 1 561 119 123 LYS H H 8.397 0.012 1 562 119 123 LYS C C 176.820 0.276 1 563 119 123 LYS CA C 56.042 0.986 1 564 119 123 LYS CB C 31.931 0.986 1 565 119 123 LYS N N 124.186 0.188 1 566 120 124 THR H H 8.190 0.012 1 567 120 124 THR C C 174.484 0.276 1 568 120 124 THR CA C 61.549 0.986 1 569 120 124 THR CB C 69.427 0.986 1 570 120 124 THR N N 117.138 0.188 1 571 121 125 GLU H H 8.420 0.012 1 572 121 125 GLU C C 176.302 0.276 1 573 121 125 GLU CA C 55.814 0.986 1 574 121 125 GLU CB C 29.492 0.986 1 575 121 125 GLU N N 124.510 0.188 1 576 122 126 SER H H 8.343 0.012 1 577 122 126 SER C C 174.388 0.276 1 578 122 126 SER CA C 57.817 0.986 1 579 122 126 SER CB C 63.197 0.986 1 580 122 126 SER N N 118.063 0.188 1 581 123 127 HIS H H 8.466 0.012 1 582 123 127 HIS C C 174.435 0.276 1 583 123 127 HIS CA C 54.991 0.986 1 584 123 127 HIS CB C 28.826 0.986 1 585 123 127 HIS N N 121.371 0.188 1 586 124 128 HIS H H 8.388 0.012 1 587 124 128 HIS C C 174.499 0.276 1 588 124 128 HIS CA C 55.147 0.986 1 589 124 128 HIS CB C 28.910 0.986 1 590 124 128 HIS N N 120.964 0.188 1 591 125 129 LYS H H 8.365 0.012 1 592 125 129 LYS C C 176.182 0.276 1 593 125 129 LYS CA C 55.742 0.986 1 594 125 129 LYS CB C 32.057 0.986 1 595 125 129 LYS N N 124.468 0.188 1 596 126 130 ALA H H 8.380 0.012 1 597 126 130 ALA C C 177.674 0.276 1 598 126 130 ALA CA C 52.077 0.986 1 599 126 130 ALA CB C 18.486 0.986 1 600 126 130 ALA N N 126.893 0.188 1 601 127 131 LYS H H 8.328 0.012 1 602 127 131 LYS C C 177.264 0.276 1 603 127 131 LYS CA C 56.165 0.986 1 604 127 131 LYS CB C 31.900 0.986 1 605 127 131 LYS N N 121.900 0.188 1 606 128 132 GLY H H 8.392 0.012 1 607 128 132 GLY C C 173.145 0.276 1 608 128 132 GLY CA C 44.777 0.986 1 609 128 132 GLY N N 111.751 0.188 1 610 129 133 LYS H H 7.799 0.012 1 611 129 133 LYS C C 181.588 0.276 1 612 129 133 LYS CA C 57.111 0.986 1 613 129 133 LYS CB C 32.470 0.986 1 614 129 133 LYS N N 126.603 0.188 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label TROSY-HN(CO)CACB TROSY-HNCACB TROSY-HN(CA)CO TROSY-HNCO HCCCONH 'TROSY-1H-15N HSQC' 'TROSY-1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 PRO C C 177.451 0.160 1 2 -2 2 PRO CA C 62.984 0.985 1 3 -2 2 PRO CB C 31.504 0.985 1 4 -1 3 GLY H H 8.559 0.015 1 5 -1 3 GLY C C 173.768 0.160 1 6 -1 3 GLY CA C 44.726 0.985 1 7 -1 3 GLY N N 110.551 0.192 1 8 0 4 MET H H 8.127 0.015 1 9 0 4 MET C C 174.169 0.160 1 10 0 4 MET CA C 52.809 0.985 1 11 0 4 MET CB C 31.913 0.985 1 12 0 4 MET N N 121.670 0.192 1 13 1 5 PRO C C 176.704 0.160 1 14 1 5 PRO CA C 62.654 0.985 1 15 1 5 PRO CB C 31.197 0.985 1 16 2 6 GLU H H 8.466 0.015 1 17 2 6 GLU C C 174.695 0.160 1 18 2 6 GLU CA C 54.038 0.985 1 19 2 6 GLU CB C 29.023 0.985 1 20 2 6 GLU N N 123.275 0.192 1 21 3 7 PRO C C 176.749 0.160 1 22 3 7 PRO CA C 62.715 0.985 1 23 3 7 PRO CB C 31.378 0.985 1 24 4 8 ALA H H 8.390 0.015 1 25 4 8 ALA C C 178.023 0.160 1 26 4 8 ALA CA C 52.168 0.985 1 27 4 8 ALA CB C 18.243 0.985 1 28 4 8 ALA N N 124.742 0.192 1 29 5 9 LYS H H 8.307 0.015 1 30 5 9 LYS C C 176.737 0.160 1 31 5 9 LYS CA C 55.877 0.985 1 32 5 9 LYS CB C 32.310 0.985 1 33 5 9 LYS N N 121.402 0.192 1 34 6 10 SER H H 8.235 0.015 1 35 6 10 SER C C 173.694 0.160 1 36 6 10 SER CA C 57.629 0.985 1 37 6 10 SER CB C 63.828 0.985 1 38 6 10 SER N N 117.610 0.192 1 39 7 11 ALA H H 8.293 0.015 1 40 7 11 ALA C C 175.330 0.160 1 41 7 11 ALA CA C 50.170 0.985 1 42 7 11 ALA CB C 17.596 0.985 1 43 7 11 ALA N N 127.655 0.192 1 44 8 12 PRO C C 176.397 0.160 1 45 8 12 PRO CA C 62.459 0.985 1 46 8 12 PRO CB C 31.311 0.985 1 47 9 13 ALA H H 8.381 0.015 1 48 9 13 ALA C C 175.642 0.160 1 49 9 13 ALA CA C 49.972 0.985 1 50 9 13 ALA CB C 17.245 0.985 1 51 9 13 ALA N N 126.356 0.192 1 52 10 14 PRO C C 177.015 0.160 1 53 10 14 PRO CA C 62.518 0.985 1 54 10 14 PRO CB C 31.380 0.985 1 55 11 15 LYS H H 8.417 0.015 1 56 11 15 LYS C C 176.915 0.160 1 57 11 15 LYS CA C 55.802 0.985 1 58 11 15 LYS CB C 32.058 0.985 1 59 11 15 LYS N N 122.697 0.192 1 60 12 16 LYS H H 8.416 0.015 1 61 12 16 LYS C C 177.231 0.160 1 62 12 16 LYS CA C 56.063 0.985 1 63 12 16 LYS CB C 32.079 0.985 1 64 12 16 LYS N N 123.992 0.192 1 65 13 17 GLY H H 8.473 0.015 1 66 13 17 GLY C C 174.160 0.160 1 67 13 17 GLY CA C 44.781 0.985 1 68 13 17 GLY N N 111.407 0.192 1 69 14 18 SER H H 8.166 0.015 1 70 14 18 SER C C 174.662 0.160 1 71 14 18 SER CA C 58.112 0.985 1 72 14 18 SER CB C 63.895 0.985 1 73 14 18 SER N N 116.312 0.192 1 74 15 19 LYS H H 8.390 0.015 1 75 15 19 LYS C C 176.654 0.160 1 76 15 19 LYS CA C 56.057 0.985 1 77 15 19 LYS CB C 32.094 0.985 1 78 15 19 LYS N N 124.062 0.192 1 79 16 20 LYS H H 8.269 0.015 1 80 16 20 LYS C C 176.322 0.160 1 81 16 20 LYS CA C 55.964 0.985 1 82 16 20 LYS CB C 32.219 0.985 1 83 16 20 LYS N N 123.678 0.192 1 84 17 21 ALA H H 8.309 0.015 1 85 17 21 ALA C C 177.752 0.160 1 86 17 21 ALA CA C 52.070 0.985 1 87 17 21 ALA CB C 18.567 0.985 1 88 17 21 ALA N N 126.570 0.192 1 89 18 22 VAL H H 8.185 0.015 1 90 18 22 VAL C C 176.571 0.160 1 91 18 22 VAL CA C 61.856 0.985 1 92 18 22 VAL CB C 31.954 0.985 1 93 18 22 VAL N N 120.857 0.192 1 94 19 23 THR H H 8.239 0.015 1 95 19 23 THR C C 174.469 0.160 1 96 19 23 THR CA C 61.507 0.985 1 97 19 23 THR CB C 69.593 0.985 1 98 19 23 THR N N 119.544 0.192 1 99 20 24 LYS H H 8.361 0.015 1 100 20 24 LYS C C 176.391 0.160 1 101 20 24 LYS CA C 56.064 0.985 1 102 20 24 LYS CB C 32.156 0.985 1 103 20 24 LYS N N 124.937 0.192 1 104 21 25 ALA H H 8.295 0.015 1 105 21 25 ALA C C 177.791 0.160 1 106 21 25 ALA CA C 52.172 0.985 1 107 21 25 ALA CB C 18.344 0.985 1 108 21 25 ALA N N 125.876 0.192 1 109 22 26 GLN H H 8.312 0.015 1 110 22 26 GLN C C 176.191 0.160 1 111 22 26 GLN CA C 55.246 0.985 1 112 22 26 GLN CB C 28.991 0.985 1 113 22 26 GLN N N 120.655 0.192 1 114 23 27 LYS H H 8.360 0.015 1 115 23 27 LYS C C 176.813 0.160 1 116 23 27 LYS CA C 56.000 0.985 1 117 23 27 LYS CB C 32.197 0.985 1 118 23 27 LYS N N 123.949 0.192 1 119 24 28 LYS H H 8.414 0.015 1 120 24 28 LYS C C 176.445 0.160 1 121 24 28 LYS CA C 55.987 0.985 1 122 24 28 LYS CB C 32.040 0.985 1 123 24 28 LYS N N 123.772 0.192 1 124 25 29 ASP H H 8.330 0.015 1 125 25 29 ASP C C 176.854 0.160 1 126 25 29 ASP CA C 54.130 0.985 1 127 25 29 ASP CB C 40.836 0.985 1 128 25 29 ASP N N 122.113 0.192 1 129 26 30 GLY H H 8.310 0.015 1 130 26 30 GLY C C 174.437 0.160 1 131 26 30 GLY CA C 45.238 0.985 1 132 26 30 GLY N N 110.015 0.192 1 133 27 31 LYS H H 8.152 0.015 1 134 27 31 LYS C C 176.930 0.160 1 135 27 31 LYS CA C 56.104 0.985 1 136 27 31 LYS CB C 31.968 0.985 1 137 27 31 LYS N N 121.438 0.192 1 138 28 32 LYS H H 8.238 0.015 1 139 28 32 LYS C C 176.687 0.160 1 140 28 32 LYS CA C 56.059 0.985 1 141 28 32 LYS CB C 32.064 0.985 1 142 28 32 LYS N N 122.917 0.192 1 143 29 33 ARG H H 8.414 0.015 1 144 29 33 ARG C C 176.283 0.160 1 145 29 33 ARG CA C 56.021 0.985 1 146 29 33 ARG CB C 30.019 0.985 1 147 29 33 ARG N N 123.781 0.192 1 148 30 34 LYS H H 8.294 0.015 1 149 30 34 LYS C C 176.723 0.160 1 150 30 34 LYS CA C 55.803 0.985 1 151 30 34 LYS CB C 31.970 0.985 1 152 30 34 LYS N N 123.380 0.192 1 153 31 35 ARG H H 8.296 0.015 1 154 31 35 ARG C C 176.329 0.160 1 155 31 35 ARG CA C 55.672 0.985 1 156 31 35 ARG CB C 30.004 0.985 1 157 31 35 ARG N N 123.455 0.192 1 158 32 36 SER H H 8.411 0.015 1 159 32 36 SER C C 174.380 0.160 1 160 32 36 SER CA C 57.905 0.985 1 161 32 36 SER CB C 63.773 0.985 1 162 32 36 SER N N 118.586 0.192 1 163 33 37 ARG H H 8.465 0.015 1 164 33 37 ARG C C 176.148 0.160 1 165 33 37 ARG CA C 55.576 0.985 1 166 33 37 ARG CB C 30.003 0.985 1 167 33 37 ARG N N 124.234 0.192 1 168 34 38 LYS H H 8.375 0.015 1 169 34 38 LYS C C 176.355 0.160 1 170 34 38 LYS CA C 55.570 0.985 1 171 34 38 LYS CB C 32.265 0.985 1 172 34 38 LYS N N 124.243 0.192 1 173 35 39 GLU H H 8.199 0.015 1 174 35 39 GLU C C 176.199 0.160 1 175 35 39 GLU CA C 55.547 0.985 1 176 35 39 GLU CB C 29.669 0.985 1 177 35 39 GLU N N 123.512 0.192 1 178 36 40 SER H H 8.602 0.015 1 179 36 40 SER C C 176.210 0.160 1 180 36 40 SER CA C 57.337 0.985 1 181 36 40 SER CB C 63.047 0.985 1 182 36 40 SER N N 117.299 0.192 1 183 37 41 TYR H H 7.999 0.015 1 184 37 41 TYR C C 179.053 0.160 1 185 37 41 TYR CA C 61.270 0.985 1 186 37 41 TYR N N 118.596 0.192 1 187 38 42 SER H H 8.221 0.015 9 188 38 42 SER C C 175.587 0.160 9 189 38 42 SER CA C 61.955 0.985 9 190 38 42 SER CB C 63.340 0.985 9 191 38 42 SER N N 118.562 0.192 9 192 39 43 ILE H H 9.247 0.015 9 193 39 43 ILE C C 176.119 0.160 9 194 39 43 ILE CB C 37.334 0.985 9 195 39 43 ILE N N 126.456 0.192 9 196 40 44 TYR H H 7.812 0.015 9 197 40 44 TYR CA C 57.102 0.985 9 198 40 44 TYR CB C 38.353 0.985 9 199 40 44 TYR N N 119.476 0.192 9 200 41 45 VAL C C 179.168 0.160 9 201 41 45 VAL CA C 66.638 0.985 9 202 41 45 VAL CB C 30.475 0.985 9 203 42 46 TYR H H 8.323 0.015 9 204 42 46 TYR C C 177.901 0.160 9 205 42 46 TYR CA C 61.976 0.985 9 206 42 46 TYR CB C 37.437 0.985 9 207 42 46 TYR N N 118.363 0.192 9 208 43 47 LYS H H 7.435 0.015 1 209 43 47 LYS C C 179.831 0.160 1 210 43 47 LYS CA C 60.002 0.985 1 211 43 47 LYS CB C 32.110 0.985 1 212 43 47 LYS N N 117.997 0.192 1 213 44 48 VAL H H 7.936 0.015 1 214 44 48 VAL C C 178.361 0.160 1 215 44 48 VAL CA C 65.676 0.985 1 216 44 48 VAL CB C 30.541 0.985 1 217 44 48 VAL N N 120.360 0.192 1 218 45 49 LEU H H 8.563 0.015 1 219 45 49 LEU C C 177.233 0.160 1 220 45 49 LEU CA C 57.753 0.985 1 221 45 49 LEU CB C 39.850 0.985 1 222 45 49 LEU N N 122.137 0.192 1 223 46 50 LYS H H 7.702 0.015 1 224 46 50 LYS C C 177.654 0.160 1 225 46 50 LYS CA C 57.119 0.985 1 226 46 50 LYS CB C 30.964 0.985 1 227 46 50 LYS N N 115.027 0.192 1 228 47 51 GLN H H 7.284 0.015 1 229 47 51 GLN C C 177.793 0.160 1 230 47 51 GLN CA C 57.462 0.985 1 231 47 51 GLN CB C 28.449 0.985 1 232 47 51 GLN N N 115.696 0.192 1 233 48 52 VAL H H 7.702 0.015 1 234 48 52 VAL C C 176.326 0.160 1 235 48 52 VAL CA C 63.352 0.985 1 236 48 52 VAL CB C 32.083 0.985 1 237 48 52 VAL N N 113.892 0.192 1 238 49 53 HIS H H 8.905 0.015 1 239 49 53 HIS C C 172.115 0.160 1 240 49 53 HIS CA C 53.572 0.985 1 241 49 53 HIS CB C 30.947 0.985 1 242 49 53 HIS N N 118.940 0.192 1 243 50 54 PRO C C 177.212 0.160 1 244 50 54 PRO CA C 64.964 0.985 1 245 50 54 PRO CB C 31.593 0.985 1 246 51 55 ASP H H 8.339 0.015 1 247 51 55 ASP C C 176.102 0.160 1 248 51 55 ASP CA C 53.290 0.985 1 249 51 55 ASP CB C 40.524 0.985 1 250 51 55 ASP N N 115.975 0.192 1 251 52 56 THR H H 7.825 0.015 1 252 52 56 THR C C 173.521 0.160 1 253 52 56 THR CA C 62.118 0.985 1 254 52 56 THR CB C 69.948 0.985 1 255 52 56 THR N N 119.303 0.192 1 256 53 57 GLY H H 8.558 0.015 1 257 53 57 GLY C C 173.180 0.160 1 258 53 57 GLY CA C 43.232 0.985 1 259 53 57 GLY N N 113.454 0.192 1 260 54 58 ILE H H 8.818 0.015 1 261 54 58 ILE C C 173.150 0.160 1 262 54 58 ILE CA C 59.610 0.985 1 263 54 58 ILE CB C 39.963 0.985 1 264 54 58 ILE N N 118.257 0.192 1 265 55 59 SER H H 8.976 0.015 1 266 55 59 SER C C 174.577 0.160 1 267 55 59 SER CA C 57.102 0.985 1 268 55 59 SER CB C 65.246 0.985 1 269 55 59 SER N N 125.069 0.192 1 270 56 60 SER H H 9.132 0.015 1 271 56 60 SER C C 178.566 0.160 1 272 56 60 SER CA C 61.815 0.985 1 273 56 60 SER CB C 62.942 0.985 1 274 56 60 SER N N 119.076 0.192 1 275 57 61 LYS H H 8.633 0.015 1 276 57 61 LYS C C 180.256 0.160 1 277 57 61 LYS CA C 58.961 0.985 1 278 57 61 LYS CB C 31.804 0.985 1 279 57 61 LYS N N 122.350 0.192 1 280 58 62 ALA H H 7.589 0.015 1 281 58 62 ALA C C 178.558 0.160 1 282 58 62 ALA CA C 54.637 0.985 1 283 58 62 ALA CB C 17.483 0.985 1 284 58 62 ALA N N 121.677 0.192 1 285 59 63 MET H H 8.743 0.015 1 286 59 63 MET C C 178.310 0.160 1 287 59 63 MET CA C 56.997 0.985 1 288 59 63 MET CB C 30.585 0.985 1 289 59 63 MET N N 120.511 0.192 1 290 60 64 GLY H H 7.997 0.015 1 291 60 64 GLY C C 177.095 0.160 1 292 60 64 GLY CA C 47.086 0.985 1 293 60 64 GLY N N 107.736 0.192 1 294 61 65 ILE H H 7.303 0.015 1 295 61 65 ILE C C 177.984 0.160 1 296 61 65 ILE CA C 64.427 0.985 1 297 61 65 ILE CB C 36.289 0.985 1 298 61 65 ILE N N 124.246 0.192 1 299 62 66 MET H H 7.949 0.015 1 300 62 66 MET C C 179.011 0.160 1 301 62 66 MET CA C 55.883 0.985 1 302 62 66 MET CB C 28.043 0.985 1 303 62 66 MET N N 118.522 0.192 1 304 63 67 ASN H H 8.599 0.015 1 305 63 67 ASN C C 178.866 0.160 1 306 63 67 ASN CA C 57.181 0.985 1 307 63 67 ASN CB C 38.873 0.985 1 308 63 67 ASN N N 117.773 0.192 1 309 64 68 SER H H 8.097 0.015 1 310 64 68 SER CA C 62.076 0.985 1 311 64 68 SER N N 119.525 0.192 1 312 65 69 PHE H H 8.440 0.015 1 313 65 69 PHE C C 177.818 0.160 1 314 65 69 PHE CA C 57.743 0.985 1 315 65 69 PHE CB C 37.073 0.985 1 316 65 69 PHE N N 122.567 0.192 1 317 66 70 VAL H H 8.438 0.015 1 318 66 70 VAL C C 177.803 0.160 1 319 66 70 VAL CA C 67.423 0.985 1 320 66 70 VAL CB C 30.908 0.985 1 321 66 70 VAL N N 118.726 0.192 1 322 67 71 ASN H H 8.070 0.015 1 323 67 71 ASN C C 176.907 0.160 1 324 67 71 ASN CA C 57.165 0.985 1 325 67 71 ASN CB C 39.821 0.985 1 326 67 71 ASN N N 115.621 0.192 1 327 68 72 ASP H H 8.193 0.015 1 328 68 72 ASP C C 178.181 0.160 1 329 68 72 ASP CA C 57.694 0.985 1 330 68 72 ASP CB C 42.173 0.985 1 331 68 72 ASP N N 120.035 0.192 1 332 69 73 ILE H H 8.373 0.015 1 333 69 73 ILE C C 177.783 0.160 1 334 69 73 ILE CA C 63.868 0.985 1 335 69 73 ILE CB C 35.888 0.985 1 336 69 73 ILE N N 118.491 0.192 1 337 70 74 PHE H H 8.590 0.015 1 338 70 74 PHE C C 176.189 0.160 1 339 70 74 PHE CA C 62.536 0.985 1 340 70 74 PHE CB C 38.464 0.985 1 341 70 74 PHE N N 120.235 0.192 1 342 71 75 GLU H H 8.360 0.015 1 343 71 75 GLU C C 180.758 0.160 1 344 71 75 GLU CA C 59.089 0.985 1 345 71 75 GLU CB C 28.560 0.985 1 346 71 75 GLU N N 117.876 0.192 1 347 72 76 ARG H H 8.440 0.015 1 348 72 76 ARG HA H 4.245 0.058 1 349 72 76 ARG C C 179.722 0.160 1 350 72 76 ARG CA C 59.302 0.985 1 351 72 76 ARG CB C 30.797 0.985 1 352 72 76 ARG N N 120.080 0.192 1 353 73 77 ILE H H 8.289 0.015 1 354 73 77 ILE C C 177.027 0.160 1 355 73 77 ILE CA C 64.689 0.985 1 356 73 77 ILE CB C 36.470 0.985 1 357 73 77 ILE N N 119.345 0.192 1 358 74 78 ALA H H 8.708 0.015 1 359 74 78 ALA C C 179.406 0.160 1 360 74 78 ALA CA C 55.147 0.985 1 361 74 78 ALA CB C 16.056 0.985 1 362 74 78 ALA N N 122.338 0.192 1 363 75 79 GLY H H 8.117 0.015 1 364 75 79 GLY C C 176.813 0.160 1 365 75 79 GLY CA C 46.646 0.985 1 366 75 79 GLY N N 103.929 0.192 1 367 76 80 GLU H H 7.582 0.015 1 368 76 80 GLU C C 178.081 0.160 1 369 76 80 GLU CA C 57.851 0.985 1 370 76 80 GLU CB C 29.174 0.985 1 371 76 80 GLU N N 124.386 0.192 1 372 77 81 ALA H H 8.741 0.015 1 373 77 81 ALA C C 178.888 0.160 1 374 77 81 ALA CA C 54.674 0.985 1 375 77 81 ALA CB C 17.113 0.985 1 376 77 81 ALA N N 122.149 0.192 1 377 78 82 SER H H 8.207 0.015 1 378 78 82 SER C C 177.560 0.160 1 379 78 82 SER CA C 60.821 0.985 1 380 78 82 SER CB C 63.186 0.985 1 381 78 82 SER N N 111.144 0.192 1 382 79 83 ARG H H 7.832 0.015 1 383 79 83 ARG C C 179.644 0.160 1 384 79 83 ARG CA C 59.830 0.985 1 385 79 83 ARG CB C 29.061 0.985 1 386 79 83 ARG N N 123.254 0.192 1 387 80 84 LEU H H 8.370 0.015 1 388 80 84 LEU C C 180.085 0.160 1 389 80 84 LEU CA C 57.333 0.985 1 390 80 84 LEU CB C 41.334 0.985 1 391 80 84 LEU N N 120.153 0.192 1 392 81 85 ALA H H 8.393 0.015 1 393 81 85 ALA C C 179.392 0.160 1 394 81 85 ALA CA C 54.813 0.985 1 395 81 85 ALA CB C 17.152 0.985 1 396 81 85 ALA N N 122.521 0.192 1 397 82 86 HIS H H 8.038 0.015 1 398 82 86 HIS C C 174.726 0.160 1 399 82 86 HIS CA C 58.133 0.985 1 400 82 86 HIS CB C 27.634 0.985 1 401 82 86 HIS N N 115.026 0.192 1 402 83 87 TYR C C 176.554 0.160 1 403 83 87 TYR CA C 60.040 0.985 1 404 83 87 TYR CB C 37.314 0.985 1 405 84 88 ASN H H 7.628 0.015 1 406 84 88 ASN C C 173.906 0.160 1 407 84 88 ASN CA C 52.560 0.985 1 408 84 88 ASN CB C 39.286 0.985 1 409 84 88 ASN N N 115.645 0.192 1 410 85 89 LYS H H 8.061 0.015 1 411 85 89 LYS C C 176.345 0.160 1 412 85 89 LYS CA C 57.434 0.985 1 413 85 89 LYS CB C 29.131 0.985 1 414 85 89 LYS N N 118.142 0.192 1 415 86 90 ARG H H 8.394 0.015 1 416 86 90 ARG C C 176.741 0.160 1 417 86 90 ARG CA C 54.295 0.985 1 418 86 90 ARG CB C 30.232 0.985 1 419 86 90 ARG N N 117.974 0.192 1 420 87 91 SER H H 8.515 0.015 1 421 87 91 SER C C 173.322 0.160 1 422 87 91 SER CA C 58.254 0.985 1 423 87 91 SER CB C 63.171 0.985 1 424 87 91 SER N N 118.145 0.192 1 425 88 92 THR H H 7.505 0.015 1 426 88 92 THR C C 173.657 0.160 1 427 88 92 THR CA C 60.051 0.985 1 428 88 92 THR CB C 70.842 0.985 1 429 88 92 THR N N 116.492 0.192 1 430 89 93 ILE H H 7.659 0.015 1 431 89 93 ILE C C 173.657 0.160 1 432 89 93 ILE CA C 61.773 0.985 1 433 89 93 ILE CB C 38.927 0.985 1 434 89 93 ILE N N 124.262 0.192 1 435 90 94 THR H H 9.266 0.015 1 436 90 94 THR C C 176.199 0.160 1 437 90 94 THR CA C 59.969 0.985 1 438 90 94 THR CB C 73.255 0.985 1 439 90 94 THR N N 121.207 0.192 1 440 91 95 SER H H 8.961 0.015 1 441 91 95 SER C C 174.446 0.160 1 442 91 95 SER CA C 62.102 0.985 1 443 91 95 SER CB C 63.389 0.985 1 444 91 95 SER N N 117.189 0.192 1 445 92 96 ARG H H 7.789 0.015 1 446 92 96 ARG C C 178.378 0.160 1 447 92 96 ARG CA C 59.038 0.985 1 448 92 96 ARG CB C 28.685 0.985 1 449 92 96 ARG N N 122.396 0.192 1 450 93 97 GLU H H 7.418 0.015 1 451 93 97 GLU C C 178.527 0.160 1 452 93 97 GLU CA C 61.160 0.985 1 453 93 97 GLU CB C 28.565 0.985 1 454 93 97 GLU N N 119.326 0.192 1 455 94 98 ILE H H 7.115 0.015 1 456 94 98 ILE C C 176.322 0.160 1 457 94 98 ILE CA C 61.747 0.985 1 458 94 98 ILE CB C 33.365 0.985 1 459 94 98 ILE N N 116.323 0.192 1 460 95 99 GLN H H 7.869 0.015 1 461 95 99 GLN C C 177.295 0.160 1 462 95 99 GLN CA C 59.562 0.985 1 463 95 99 GLN CB C 28.451 0.985 1 464 95 99 GLN N N 119.709 0.192 1 465 96 100 THR H H 8.121 0.015 1 466 96 100 THR C C 175.857 0.160 1 467 96 100 THR CA C 66.546 0.985 1 468 96 100 THR CB C 67.707 0.985 1 469 96 100 THR N N 115.939 0.192 1 470 97 101 ALA H H 7.874 0.015 1 471 97 101 ALA C C 178.908 0.160 1 472 97 101 ALA CA C 55.432 0.985 1 473 97 101 ALA CB C 18.708 0.985 1 474 97 101 ALA N N 123.264 0.192 1 475 98 102 VAL H H 8.442 0.015 1 476 98 102 VAL C C 177.007 0.160 1 477 98 102 VAL CA C 66.835 0.985 1 478 98 102 VAL CB C 30.317 0.985 1 479 98 102 VAL N N 118.026 0.192 1 480 99 103 ARG H H 7.826 0.015 1 481 99 103 ARG C C 178.310 0.160 1 482 99 103 ARG CA C 58.986 0.985 1 483 99 103 ARG CB C 29.268 0.985 1 484 99 103 ARG N N 117.201 0.192 1 485 100 104 LEU H H 7.779 0.015 1 486 100 104 LEU C C 179.422 0.160 1 487 100 104 LEU CA C 56.563 0.985 1 488 100 104 LEU CB C 41.758 0.985 1 489 100 104 LEU N N 118.002 0.192 1 490 101 105 LEU H H 7.902 0.015 1 491 101 105 LEU C C 177.347 0.160 1 492 101 105 LEU CA C 55.700 0.985 1 493 101 105 LEU CB C 43.369 0.985 1 494 101 105 LEU N N 117.524 0.192 1 495 102 106 LEU H H 8.162 0.015 1 496 102 106 LEU CA C 53.031 0.985 1 497 102 106 LEU CB C 39.361 0.985 1 498 102 106 LEU N N 120.459 0.192 1 499 103 107 PRO C C 176.799 0.160 9 500 104 108 GLY H H 8.107 0.015 1 501 104 108 GLY C C 175.921 0.160 1 502 104 108 GLY CA C 47.995 0.985 1 503 104 108 GLY N N 105.341 0.192 1 504 105 109 GLU H H 10.267 0.015 1 505 105 109 GLU C C 179.323 0.160 1 506 105 109 GLU CA C 58.804 0.985 1 507 105 109 GLU CB C 28.048 0.985 1 508 105 109 GLU N N 129.383 0.192 1 509 106 110 LEU H H 8.961 0.015 1 510 106 110 LEU C C 179.592 0.160 1 511 106 110 LEU CA C 57.378 0.985 1 512 106 110 LEU CB C 42.144 0.985 1 513 106 110 LEU N N 123.879 0.192 1 514 107 111 ALA H H 7.970 0.015 1 515 107 111 ALA C C 179.129 0.160 1 516 107 111 ALA CA C 54.998 0.985 1 517 107 111 ALA CB C 17.803 0.985 1 518 107 111 ALA N N 119.296 0.192 1 519 108 112 LYS H H 7.351 0.015 1 520 108 112 LYS C C 180.267 0.160 1 521 108 112 LYS CA C 59.299 0.985 1 522 108 112 LYS CB C 31.462 0.985 1 523 108 112 LYS N N 116.871 0.192 1 524 109 113 HIS H H 8.105 0.015 1 525 109 113 HIS C C 176.528 0.160 1 526 109 113 HIS CA C 57.709 0.985 1 527 109 113 HIS CB C 28.206 0.985 1 528 109 113 HIS N N 117.727 0.192 1 529 110 114 ALA H H 8.662 0.015 1 530 110 114 ALA C C 178.929 0.160 1 531 110 114 ALA CA C 54.726 0.985 1 532 110 114 ALA CB C 18.527 0.985 1 533 110 114 ALA N N 123.534 0.192 1 534 111 115 VAL H H 8.255 0.015 1 535 111 115 VAL C C 179.821 0.160 1 536 111 115 VAL CA C 63.971 0.985 1 537 111 115 VAL CB C 30.849 0.985 1 538 111 115 VAL N N 117.377 0.192 1 539 112 116 SER H H 7.461 0.015 1 540 112 116 SER C C 177.256 0.160 1 541 112 116 SER CA C 61.466 0.985 1 542 112 116 SER CB C 62.400 0.985 1 543 112 116 SER N N 117.591 0.192 1 544 113 117 GLU H H 8.105 0.015 1 545 113 117 GLU C C 180.059 0.160 1 546 113 117 GLU CA C 58.220 0.985 1 547 113 117 GLU CB C 27.711 0.985 1 548 113 117 GLU N N 119.696 0.192 1 549 114 118 GLY H H 8.649 0.015 1 550 114 118 GLY C C 174.722 0.160 1 551 114 118 GLY CA C 46.328 0.985 1 552 114 118 GLY N N 109.770 0.192 1 553 115 119 THR H H 7.954 0.015 1 554 115 119 THR C C 177.413 0.160 1 555 115 119 THR CA C 66.276 0.985 1 556 115 119 THR CB C 68.421 0.985 1 557 115 119 THR N N 116.756 0.192 1 558 116 120 LYS H H 7.928 0.015 1 559 116 120 LYS C C 178.787 0.160 1 560 116 120 LYS CA C 59.358 0.985 1 561 116 120 LYS CB C 31.537 0.985 1 562 116 120 LYS N N 123.430 0.192 1 563 117 121 ALA H H 7.649 0.015 1 564 117 121 ALA C C 179.835 0.160 1 565 117 121 ALA CA C 54.655 0.985 1 566 117 121 ALA CB C 18.350 0.985 1 567 117 121 ALA N N 121.817 0.192 1 568 118 122 VAL H H 8.073 0.015 1 569 118 122 VAL C C 179.065 0.160 1 570 118 122 VAL CA C 66.795 0.985 1 571 118 122 VAL CB C 30.851 0.985 1 572 118 122 VAL N N 118.169 0.192 1 573 119 123 THR H H 8.291 0.015 1 574 119 123 THR C C 176.279 0.160 1 575 119 123 THR CA C 61.894 0.985 1 576 119 123 THR CB C 67.853 0.985 1 577 119 123 THR N N 118.553 0.192 1 578 120 124 LYS H H 7.992 0.015 1 579 120 124 LYS C C 178.483 0.160 1 580 120 124 LYS CA C 58.673 0.985 1 581 120 124 LYS CB C 31.889 0.985 1 582 120 124 LYS N N 122.357 0.192 1 583 121 125 TYR H H 8.358 0.015 1 584 121 125 TYR C C 177.296 0.160 1 585 121 125 TYR CA C 60.218 0.985 1 586 121 125 TYR CB C 39.318 0.985 1 587 121 125 TYR N N 118.785 0.192 1 588 122 126 THR H H 8.110 0.015 1 589 122 126 THR C C 175.037 0.160 1 590 122 126 THR CA C 62.663 0.985 1 591 122 126 THR CB C 69.515 0.985 1 592 122 126 THR N N 111.626 0.192 1 593 123 127 SER H H 7.816 0.015 1 594 123 127 SER C C 174.041 0.160 1 595 123 127 SER CA C 58.707 0.985 1 596 123 127 SER CB C 63.603 0.985 1 597 123 127 SER N N 117.257 0.192 1 598 124 128 ALA H H 7.887 0.015 1 599 124 128 ALA C C 176.629 0.160 1 600 124 128 ALA CA C 52.177 0.985 1 601 124 128 ALA CB C 18.494 0.985 1 602 124 128 ALA N N 126.357 0.192 1 603 125 129 LYS H H 7.824 0.015 1 604 125 129 LYS C C 181.595 0.160 1 605 125 129 LYS CA C 57.212 0.985 1 606 125 129 LYS CB C 32.889 0.985 1 607 125 129 LYS N N 126.286 0.192 1 stop_ save_