data_4698 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone assignments of TGF-beta type II receptor ligand binding domain ; _BMRB_accession_number 4698 _BMRB_flat_file_name bmr4698.str _Entry_type original _Submission_date 2000-03-22 _Accession_date 2000-03-22 _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 Marlow Michael S. . 2 Chim Nicholas . . 3 Brown Christopher B. . 4 Barnett Joey V. . 5 Krezel Andrzej M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 221 "13C chemical shifts" 224 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-09-25 original author . stop_ _Original_release_date 2000-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, and 15N backbone assignments of the ligand binding domain of TGFb type II receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marlow Michael S. . 2 Chim Nicholas . . 3 Brown Christopher B. . 4 Barnett Joey V. . 5 Krezel Andrzej M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 17 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 349 _Page_last 350 _Year 2000 _Details . loop_ _Keyword 'TGF beta' 'ligand binding domain' 'heteronuclear NMR' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 94220749 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ save_reference_2 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 93044345 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_TbR-II _Saveframe_category molecular_system _Mol_system_name 'Transforming Growth Factor Beta type II receptor' _Abbreviation_common TbR-II _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TbR-II $TbR-II stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TbR-II _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Transforming Growth Factor Beta type II receptor' _Name_variant 'exoplasmic, ligand binding, or extracellular domain' _Abbreviation_common TbR-II _Molecular_mass 13823 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; MHDRSKENGLQLPRLCKFCD VKATTCSNQDQCTSNCNITS ICEKNNEVCAAVWRRNDENV TLETICHDPQKRLYGHMLDD SSSEQCVMKEKKDDGGLMFM CSCTGEECNDVLIFSAIDPH KP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 ASP 4 ARG 5 SER 6 LYS 7 GLU 8 ASN 9 GLY 10 LEU 11 GLN 12 LEU 13 PRO 14 ARG 15 LEU 16 CYS 17 LYS 18 PHE 19 CYS 20 ASP 21 VAL 22 LYS 23 ALA 24 THR 25 THR 26 CYS 27 SER 28 ASN 29 GLN 30 ASP 31 GLN 32 CYS 33 THR 34 SER 35 ASN 36 CYS 37 ASN 38 ILE 39 THR 40 SER 41 ILE 42 CYS 43 GLU 44 LYS 45 ASN 46 ASN 47 GLU 48 VAL 49 CYS 50 ALA 51 ALA 52 VAL 53 TRP 54 ARG 55 ARG 56 ASN 57 ASP 58 GLU 59 ASN 60 VAL 61 THR 62 LEU 63 GLU 64 THR 65 ILE 66 CYS 67 HIS 68 ASP 69 PRO 70 GLN 71 LYS 72 ARG 73 LEU 74 TYR 75 GLY 76 HIS 77 MET 78 LEU 79 ASP 80 ASP 81 SER 82 SER 83 SER 84 GLU 85 GLN 86 CYS 87 VAL 88 MET 89 LYS 90 GLU 91 LYS 92 LYS 93 ASP 94 ASP 95 GLY 96 GLY 97 LEU 98 MET 99 PHE 100 MET 101 CYS 102 SER 103 CYS 104 THR 105 GLY 106 GLU 107 GLU 108 CYS 109 ASN 110 ASP 111 VAL 112 LEU 113 ILE 114 PHE 115 SER 116 ALA 117 ILE 118 ASP 119 PRO 120 HIS 121 LYS 122 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1KS6 "Transforming Growth Factor Beta Type Ii Receptor Ligand Binding Domain" 87.70 107 100.00 100.00 1.51e-71 GB AAA49091 "transforming growth factor-beta type II receptor [Gallus gallus]" 100.00 557 98.36 99.18 9.06e-80 REF NP_990759 "TGF-beta receptor type-2 precursor [Gallus gallus]" 100.00 557 98.36 99.18 9.06e-80 SP Q90999 "RecName: Full=TGF-beta receptor type-2; Short=TGFR-2; AltName: Full=TGF-beta type II receptor; AltName: Full=Transforming growt" 100.00 557 98.36 99.18 9.06e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $TbR-II chicken 9031 Eukaryota Metazoa Gallus gallus brain stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $TbR-II 'recombinant technology' 'E. coli' Escherichia coli 'BL21 DE3' plasmid pET-32 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 $TbR-II . mM 0.5 2 '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TbR-II . mM 0.5 2 [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 1997 loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task analysis bookkeeping stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_15N_edited_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N edited TOCSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_all_samples _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.25 pH temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $all_samples _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name TbR-II _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 . 6 LYS C C 176.589 . 1 2 . 6 LYS CA C 56.908 . 1 3 . 7 GLU H H 8.481 . 1 4 . 7 GLU HA H 4.117 . 1 5 . 7 GLU C C 176.45 . 1 6 . 7 GLU CA C 56.896 . 1 7 . 7 GLU N N 121.694 . 1 8 . 8 ASN H H 8.241 . 1 9 . 8 ASN HA H 4.602 . 1 10 . 8 ASN C C 175.754 . 1 11 . 8 ASN CA C 53.073 . 1 12 . 8 ASN N N 119.545 . 1 13 . 9 GLY H H 8.199 . 1 14 . 9 GLY HA2 H 3.808 . 1 15 . 9 GLY HA3 H 3.808 . 1 16 . 9 GLY C C 173.989 . 1 17 . 9 GLY CA C 45.319 . 1 18 . 9 GLY N N 109.41 . 1 19 . 10 LEU H H 7.893 . 1 20 . 10 LEU HA H 4.216 . 1 21 . 10 LEU C C 177.001 . 1 22 . 10 LEU CA C 56.81 . 1 23 . 10 LEU N N 121.694 . 1 24 . 11 GLN H H 8.277 . 1 25 . 11 GLN HA H 4.193 . 1 26 . 11 GLN C C 174.735 . 1 27 . 11 GLN CA C 55.179 . 1 28 . 11 GLN N N 122.28 . 1 29 . 12 LEU H H 8.096 . 1 30 . 12 LEU HA H 4.502 . 1 31 . 12 LEU C C 174.886 . 1 32 . 12 LEU CA C 52.725 . 1 33 . 12 LEU N N 125.991 . 1 34 . 13 PRO HA H 4.26 . 1 35 . 13 PRO C C 175.519 . 1 36 . 13 PRO CA C 62.377 . 1 37 . 14 ARG H H 8.624 . 1 38 . 14 ARG HA H 4.17 . 1 39 . 14 ARG C C 173.376 . 1 40 . 14 ARG CA C 55.253 . 1 41 . 14 ARG N N 122.866 . 1 42 . 15 LEU H H 7.896 . 1 43 . 15 LEU HA H 4.823 . 1 44 . 15 LEU C C 176.895 . 1 45 . 15 LEU CA C 53.874 . 1 46 . 15 LEU N N 123.061 . 1 47 . 16 CYS H H 8.574 . 1 48 . 16 CYS HA H 4.972 . 1 49 . 16 CYS C C 175.647 . 1 50 . 16 CYS CA C 51.528 . 1 51 . 16 CYS N N 120.131 . 1 52 . 17 LYS H H 8.994 . 1 53 . 17 LYS HA H 4.772 . 1 54 . 17 LYS C C 177.511 . 1 55 . 17 LYS CA C 54.877 . 1 56 . 17 LYS N N 120.717 . 1 57 . 18 PHE H H 8.274 . 1 58 . 18 PHE HA H 5.111 . 1 59 . 18 PHE C C 174.481 . 1 60 . 18 PHE CA C 54.303 . 1 61 . 18 PHE N N 126.383 . 1 62 . 19 CYS H H 8.557 . 1 63 . 19 CYS HA H 4.832 . 1 64 . 19 CYS C C 174.426 . 1 65 . 19 CYS CA C 60.277 . 1 66 . 19 CYS N N 120.131 . 1 67 . 20 ASP H H 8.833 . 1 68 . 20 ASP HA H 4.157 . 1 69 . 20 ASP C C 174.901 . 1 70 . 20 ASP CA C 56.222 . 1 71 . 20 ASP N N 119.154 . 1 72 . 21 VAL H H 8.188 . 1 73 . 21 VAL HA H 3.947 . 1 74 . 21 VAL C C 176.128 . 1 75 . 21 VAL CA C 63.942 . 1 76 . 21 VAL N N 121.694 . 1 77 . 22 LYS H H 8.576 . 1 78 . 22 LYS HA H 4.623 . 1 79 . 22 LYS C C 175.232 . 1 80 . 22 LYS CA C 52.943 . 1 81 . 22 LYS N N 127.749 . 1 82 . 23 ALA H H 8.389 . 1 83 . 23 ALA HA H 4.439 . 1 84 . 23 ALA C C 177.479 . 1 85 . 23 ALA CA C 52.907 . 1 86 . 23 ALA N N 123.647 . 1 87 . 24 THR H H 7.833 . 1 88 . 24 THR HA H 4.875 . 1 89 . 24 THR C C 172.319 . 1 90 . 24 THR CA C 59.204 . 1 91 . 24 THR N N 115.834 . 1 92 . 25 THR H H 8.138 . 1 93 . 25 THR HA H 4.38 . 1 94 . 25 THR C C 175.45 . 1 95 . 25 THR CA C 61.064 . 1 96 . 25 THR N N 115.638 . 1 97 . 26 CYS H H 8.82 . 1 98 . 26 CYS HA H 4.302 . 1 99 . 26 CYS C C 175.713 . 1 100 . 26 CYS CA C 57.387 . 1 101 . 26 CYS N N 124.424 . 1 102 . 27 SER H H 8.418 . 1 103 . 27 SER HA H 4.456 . 1 104 . 27 SER C C 172.126 . 1 105 . 27 SER CA C 56.013 . 1 106 . 27 SER N N 123.061 . 1 107 . 28 ASN H H 7.571 . 1 108 . 28 ASN HA H 4.614 . 1 109 . 28 ASN C C 173.481 . 1 110 . 28 ASN CA C 50.654 . 1 111 . 28 ASN N N 116.615 . 1 112 . 29 GLN H H 6.874 . 1 113 . 29 GLN HA H 3.973 . 1 114 . 29 GLN C C 174.222 . 1 115 . 29 GLN CA C 54.42 . 1 116 . 29 GLN N N 115.443 . 1 117 . 30 ASP H H 8.377 . 1 118 . 30 ASP HA H 4.187 . 1 119 . 30 ASP C C 173.879 . 1 120 . 30 ASP CA C 55.532 . 1 121 . 30 ASP N N 119.35 . 1 122 . 31 GLN H H 7.873 . 1 123 . 31 GLN HA H 5.275 . 1 124 . 31 GLN C C 174.43 . 1 125 . 31 GLN CA C 54.42 . 1 126 . 31 GLN N N 118.959 . 1 127 . 32 CYS H H 9.063 . 1 128 . 32 CYS HA H 4.968 . 1 129 . 32 CYS C C 173.445 . 1 130 . 32 CYS CA C 53.746 . 1 131 . 32 CYS N N 120.326 . 1 132 . 33 THR H H 8.192 . 1 133 . 33 THR HA H 5.339 . 1 134 . 33 THR C C 176.323 . 1 135 . 33 THR CA C 59.945 . 1 136 . 33 THR N N 115.834 . 1 137 . 34 SER H H 8.906 . 1 138 . 34 SER HA H 4.227 . 1 139 . 34 SER C C 176.132 . 1 140 . 34 SER CA C 61.531 . 1 141 . 34 SER N N 117.201 . 1 142 . 35 ASN H H 8.594 . 1 143 . 35 ASN HA H 4.212 . 1 144 . 35 ASN C C 173.837 . 1 145 . 35 ASN CA C 54.093 . 1 146 . 35 ASN N N 120.131 . 1 147 . 36 CYS H H 7.994 . 1 148 . 36 CYS HA H 4.839 . 1 149 . 36 CYS C C 174.02 . 1 150 . 36 CYS CA C 53.913 . 1 151 . 36 CYS N N 116.615 . 1 152 . 37 ASN H H 8.809 . 1 153 . 37 ASN HA H 4.624 . 1 154 . 37 ASN C C 173.815 . 1 155 . 37 ASN CA C 52.657 . 1 156 . 37 ASN N N 128.335 . 1 157 . 38 ILE H H 7.448 . 1 158 . 38 ILE HA H 4.091 . 1 159 . 38 ILE C C 174.452 . 1 160 . 38 ILE CA C 60.97 . 1 161 . 38 ILE N N 121.889 . 1 162 . 39 THR H H 8.315 . 1 163 . 39 THR HA H 4.701 . 1 164 . 39 THR C C 174.231 . 1 165 . 39 THR CA C 60.996 . 1 166 . 39 THR N N 125.015 . 1 167 . 40 SER H H 8.942 . 1 168 . 40 SER HA H 4.691 . 1 169 . 40 SER C C 172.363 . 1 170 . 40 SER CA C 56.297 . 1 171 . 40 SER N N 122.28 . 1 172 . 41 ILE H H 8.035 . 1 173 . 41 ILE HA H 4.591 . 1 174 . 41 ILE C C 177.592 . 1 175 . 41 ILE CA C 60.288 . 1 176 . 41 ILE N N 124.429 . 1 177 . 42 CYS H H 8.779 . 1 178 . 42 CYS HA H 4.665 . 1 179 . 42 CYS C C 175.415 . 1 180 . 42 CYS CA C 53.129 . 1 181 . 42 CYS N N 127.749 . 1 182 . 43 GLU H H 8.884 . 1 183 . 43 GLU HA H 4.631 . 1 184 . 43 GLU C C 176.843 . 1 185 . 43 GLU CA C 59.083 . 1 186 . 43 GLU N N 121.889 . 1 187 . 44 LYS H H 7.499 . 1 188 . 44 LYS HA H 3.911 . 1 189 . 44 LYS C C 178.051 . 1 190 . 44 LYS CA C 53.791 . 1 191 . 44 LYS N N 114.662 . 1 192 . 45 ASN H H 8.841 . 1 193 . 45 ASN HA H 4.633 . 1 194 . 45 ASN C C 174.506 . 1 195 . 45 ASN CA C 55.218 . 1 196 . 45 ASN N N 121.303 . 1 197 . 46 ASN H H 8.078 . 1 198 . 46 ASN HA H 4.53 . 1 199 . 46 ASN C C 175.693 . 1 200 . 46 ASN CA C 52.784 . 1 201 . 46 ASN N N 113.294 . 1 202 . 47 GLU H H 7.007 . 1 203 . 47 GLU HA H 4.118 . 1 204 . 47 GLU C C 176.141 . 1 205 . 47 GLU CA C 57.258 . 1 206 . 47 GLU N N 118.373 . 1 207 . 48 VAL H H 8.804 . 1 208 . 48 VAL HA H 4.581 . 1 209 . 48 VAL C C 174.783 . 1 210 . 48 VAL CA C 58.701 . 1 211 . 48 VAL N N 114.076 . 1 212 . 49 CYS H H 8.107 . 1 213 . 49 CYS HA H 5.211 . 1 214 . 49 CYS C C 175.29 . 1 215 . 49 CYS CA C 52.591 . 1 216 . 49 CYS N N 116.81 . 1 217 . 50 ALA H H 8.834 . 1 218 . 50 ALA HA H 5.25 . 1 219 . 50 ALA C C 176.666 . 1 220 . 50 ALA CA C 51.155 . 1 221 . 50 ALA N N 120.717 . 1 222 . 51 ALA H H 8.715 . 1 223 . 51 ALA HA H 5.633 . 1 224 . 51 ALA C C 175.523 . 1 225 . 51 ALA CA C 51.057 . 1 226 . 51 ALA N N 123.452 . 1 227 . 52 VAL H H 8.687 . 1 228 . 52 VAL HA H 4.795 . 1 229 . 52 VAL C C 174.906 . 1 230 . 52 VAL CA C 60.822 . 1 231 . 52 VAL N N 117.982 . 1 232 . 53 TRP H H 9.931 . 1 233 . 53 TRP HA H 5.451 . 1 234 . 53 TRP C C 174.652 . 1 235 . 53 TRP CA C 56.25 . 1 236 . 53 TRP N N 134.586 . 1 237 . 54 ARG H H 8.285 . 1 238 . 54 ARG HA H 4.956 . 1 239 . 54 ARG C C 173.32 . 1 240 . 54 ARG CA C 54.64 . 1 241 . 54 ARG N N 126.328 . 1 242 . 55 ARG H H 7.524 . 1 243 . 55 ARG HA H 4.526 . 1 244 . 55 ARG C C 174.705 . 1 245 . 55 ARG CA C 54.786 . 1 246 . 55 ARG N N 118.764 . 1 247 . 56 ASN H H 8.302 . 1 248 . 56 ASN HA H 4.804 . 1 249 . 56 ASN C C 174.173 . 1 250 . 56 ASN CA C 52.047 . 1 251 . 56 ASN N N 126.187 . 1 252 . 57 ASP H H 8.685 . 1 253 . 57 ASP HA H 4.102 . 1 254 . 57 ASP C C 175.716 . 1 255 . 57 ASP CA C 56.635 . 1 256 . 57 ASP N N 121.108 . 1 257 . 58 GLU H H 8.286 . 1 258 . 58 GLU HA H 4.158 . 1 259 . 58 GLU C C 175.884 . 1 260 . 58 GLU CA C 56.788 . 1 261 . 58 GLU N N 118.764 . 1 262 . 59 ASN H H 8.103 . 1 263 . 59 ASN HA H 4.679 . 1 264 . 59 ASN C C 173.088 . 1 265 . 59 ASN CA C 52.762 . 1 266 . 59 ASN N N 118.764 . 1 267 . 60 VAL H H 8.082 . 1 268 . 60 VAL HA H 4.591 . 1 269 . 60 VAL C C 176.454 . 1 270 . 60 VAL CA C 60.567 . 1 271 . 60 VAL N N 125.015 . 1 272 . 61 THR H H 8.615 . 1 273 . 61 THR HA H 4.833 . 1 274 . 61 THR C C 171.973 . 1 275 . 61 THR CA C 58.91 . 1 276 . 61 THR N N 116.81 . 1 277 . 62 LEU H H 9.002 . 1 278 . 62 LEU HA H 5.202 . 1 279 . 62 LEU C C 174.402 . 1 280 . 62 LEU CA C 53.008 . 1 281 . 62 LEU N N 120.326 . 1 282 . 63 GLU H H 9.171 . 1 283 . 63 GLU HA H 5.258 . 1 284 . 63 GLU C C 175.693 . 1 285 . 63 GLU CA C 53.35 . 1 286 . 63 GLU N N 130.484 . 1 287 . 64 THR H H 7.917 . 1 288 . 64 THR HA H 4.89 . 1 289 . 64 THR C C 173.674 . 1 290 . 64 THR CA C 58.555 . 1 291 . 64 THR N N 116.224 . 1 292 . 65 ILE H H 7.459 . 1 293 . 65 ILE HA H 3.922 . 1 294 . 65 ILE C C 176.253 . 1 295 . 65 ILE CA C 59.939 . 1 296 . 65 ILE N N 114.662 . 1 297 . 66 CYS H H 5.054 . 1 298 . 66 CYS HA H 5.116 . 1 299 . 66 CYS C C 174.619 . 1 300 . 66 CYS CA C 57.703 . 1 301 . 66 CYS N N 115.284 . 1 302 . 67 HIS H H 9.529 . 1 303 . 67 HIS HA H 4.688 . 1 304 . 67 HIS C C 172.833 . 1 305 . 67 HIS CA C 55.537 . 1 306 . 67 HIS N N 120.717 . 1 307 . 68 ASP H H 7.675 . 1 308 . 68 ASP HA H 4.407 . 1 309 . 68 ASP C C 173.958 . 1 310 . 68 ASP CA C 50.477 . 1 311 . 68 ASP N N 129.703 . 1 312 . 69 PRO C C 177.956 . 1 313 . 69 PRO CA C 58.167 . 1 314 . 70 GLN H H 8.264 . 1 315 . 70 GLN HA H 4.093 . 1 316 . 70 GLN C C 175.821 . 1 317 . 70 GLN CA C 56.457 . 1 318 . 70 GLN N N 118.373 . 1 319 . 71 LYS H H 8.05 . 1 320 . 71 LYS HA H 4.373 . 1 321 . 71 LYS C C 177.379 . 1 322 . 71 LYS CA C 54.177 . 1 323 . 71 LYS N N 120.131 . 1 324 . 72 ARG H H 8.693 . 1 325 . 72 ARG HA H 4.625 . 1 326 . 72 ARG C C 175.545 . 1 327 . 72 ARG CA C 57.12 . 1 328 . 72 ARG N N 125.015 . 1 329 . 73 LEU H H 9.129 . 1 330 . 73 LEU HA H 4.126 . 1 331 . 73 LEU C C 174.69 . 1 332 . 73 LEU CA C 53.254 . 1 333 . 73 LEU N N 125.991 . 1 334 . 74 TYR H H 8.69 . 1 335 . 74 TYR HA H 3.832 . 1 336 . 74 TYR C C 175.429 . 1 337 . 74 TYR CA C 59.194 . 1 338 . 74 TYR N N 124.424 . 1 339 . 75 GLY H H 7.985 . 1 340 . 75 GLY HA2 H 3.212 . 2 341 . 75 GLY HA3 H 3.921 . 2 342 . 75 GLY C C 174.407 . 1 343 . 75 GLY CA C 44.595 . 1 344 . 75 GLY N N 100.402 . 1 345 . 76 HIS H H 7.842 . 1 346 . 76 HIS HA H 4.59 . 1 347 . 76 HIS C C 174.4 . 1 348 . 76 HIS CA C 55.316 . 1 349 . 76 HIS N N 121.303 . 1 350 . 77 MET H H 8.764 . 1 351 . 77 MET HA H 4.239 . 1 352 . 77 MET C C 176.636 . 1 353 . 77 MET CA C 52.9 . 1 354 . 77 MET N N 121.498 . 1 355 . 78 LEU H H 9.161 . 1 356 . 78 LEU HA H 4.166 . 1 357 . 78 LEU C C 177.34 . 1 358 . 78 LEU CA C 54.795 . 1 359 . 78 LEU N N 127.359 . 1 360 . 79 ASP H H 8.117 . 1 361 . 79 ASP HA H 4.582 . 1 362 . 79 ASP C C 176.232 . 1 363 . 79 ASP CA C 53.322 . 1 364 . 79 ASP N N 121.889 . 1 365 . 80 ASP H H 8.437 . 1 366 . 80 ASP HA H 4.573 . 1 367 . 80 ASP C C 176.753 . 1 368 . 80 ASP CA C 53.484 . 1 369 . 80 ASP N N 119.74 . 1 370 . 81 SER H H 7.758 . 1 371 . 81 SER HA H 4.245 . 1 372 . 81 SER C C 174.383 . 1 373 . 81 SER CA C 59.999 . 1 374 . 81 SER N N 114.857 . 1 375 . 82 SER H H 8.143 . 1 376 . 82 SER HA H 4.38 . 1 377 . 82 SER CA C 58.049 . 1 378 . 82 SER N N 115.638 . 1 379 . 83 SER CA C 54.264 . 1 380 . 84 GLU H H 8.703 . 1 381 . 84 GLU HA H 4.25 . 1 382 . 84 GLU C C 176.859 . 1 383 . 84 GLU CA C 58.38 . 1 384 . 84 GLU N N 123.452 . 1 385 . 85 GLN H H 7.628 . 1 386 . 85 GLN HA H 4.537 . 1 387 . 85 GLN C C 173.569 . 1 388 . 85 GLN CA C 53.901 . 1 389 . 85 GLN N N 115.248 . 1 390 . 86 CYS H H 9.176 . 1 391 . 86 CYS N N 127.574 . 1 392 . 89 LYS C C 175.407 . 1 393 . 89 LYS CA C 54.264 . 1 394 . 90 GLU H H 8.609 . 1 395 . 90 GLU HA H 4.278 . 1 396 . 90 GLU C C 175.965 . 1 397 . 90 GLU CA C 56.705 . 1 398 . 90 GLU N N 125.796 . 1 399 . 91 LYS H H 8.293 . 1 400 . 91 LYS HA H 4.325 . 1 401 . 91 LYS C C 175.155 . 1 402 . 91 LYS CA C 51.727 . 1 403 . 91 LYS N N 125.405 . 1 404 . 92 LYS H H 8.224 . 1 405 . 92 LYS HA H 4.109 . 1 406 . 92 LYS C C 175.344 . 1 407 . 92 LYS CA C 56.813 . 1 408 . 92 LYS N N 123.257 . 1 409 . 93 ASP H H 8.828 . 1 410 . 93 ASP HA H 4.86 . 1 411 . 93 ASP C C 175.707 . 1 412 . 93 ASP CA C 53.334 . 1 413 . 93 ASP N N 127.163 . 1 414 . 94 ASP H H 8.414 . 1 415 . 94 ASP HA H 4.413 . 1 416 . 94 ASP C C 177.013 . 1 417 . 94 ASP CA C 55.714 . 1 418 . 94 ASP N N 123.647 . 1 419 . 95 GLY H H 8.403 . 1 420 . 95 GLY HA2 H 3.595 . 2 421 . 95 GLY HA3 H 4.003 . 2 422 . 95 GLY C C 173.855 . 1 423 . 95 GLY CA C 45.25 . 1 424 . 95 GLY N N 108.411 . 1 425 . 96 GLY H H 7.325 . 1 426 . 96 GLY HA2 H 3.873 . 2 427 . 96 GLY HA3 H 4.288 . 2 428 . 96 GLY C C 172.537 . 1 429 . 96 GLY CA C 44.78 . 1 430 . 96 GLY N N 108.411 . 1 431 . 97 LEU H H 8.284 . 1 432 . 97 LEU HA H 4.801 . 1 433 . 97 LEU C C 177.945 . 1 434 . 97 LEU CA C 54.36 . 1 435 . 97 LEU N N 120.326 . 1 436 . 98 MET H H 9.04 . 1 437 . 98 MET HA H 5.431 . 1 438 . 98 MET C C 172.837 . 1 439 . 98 MET CA C 55.532 . 1 440 . 98 MET N N 125.21 . 1 441 . 99 PHE H H 9.82 . 1 442 . 99 PHE HA H 5.308 . 1 443 . 99 PHE C C 173.944 . 1 444 . 99 PHE CA C 55.413 . 1 445 . 99 PHE N N 126.968 . 1 446 . 100 MET H H 8.85 . 1 447 . 100 MET HA H 5.503 . 1 448 . 100 MET C C 175.434 . 1 449 . 100 MET CA C 54.649 . 1 450 . 100 MET N N 117.396 . 1 451 . 101 CYS H H 8.772 . 1 452 . 101 CYS HA H 4.926 . 1 453 . 101 CYS C C 170.804 . 1 454 . 101 CYS CA C 54.048 . 1 455 . 101 CYS N N 117.006 . 1 456 . 102 SER H H 8.72 . 1 457 . 102 SER HA H 5.339 . 1 458 . 102 SER C C 172.018 . 1 459 . 102 SER CA C 57.34 . 1 460 . 102 SER N N 114.857 . 1 461 . 103 CYS H H 8.945 . 1 462 . 103 CYS HA H 5.304 . 1 463 . 103 CYS C C 173.876 . 1 464 . 103 CYS CA C 54.449 . 1 465 . 103 CYS N N 113.294 . 1 466 . 104 THR H H 8.631 . 1 467 . 104 THR HA H 4.355 . 1 468 . 104 THR C C 175.045 . 1 469 . 104 THR CA C 61.412 . 1 470 . 104 THR N N 109.583 . 1 471 . 105 GLY H H 7.791 . 1 472 . 105 GLY HA2 H 3.87 . 2 473 . 105 GLY HA3 H 3.999 . 2 474 . 105 GLY C C 173.629 . 1 475 . 105 GLY CA C 45.237 . 1 476 . 105 GLY N N 113.88 . 1 477 . 106 GLU H H 8.561 . 1 478 . 106 GLU HA H 4.225 . 1 479 . 106 GLU C C 177.942 . 1 480 . 106 GLU CA C 58.084 . 1 481 . 106 GLU N N 124.038 . 1 482 . 107 GLU H H 9.412 . 1 483 . 107 GLU HA H 3.43 . 1 484 . 107 GLU C C 177.484 . 1 485 . 107 GLU CA C 58.148 . 1 486 . 107 GLU N N 120.326 . 1 487 . 108 CYS H H 7.851 . 1 488 . 108 CYS HA H 4.214 . 1 489 . 108 CYS C C 174.162 . 1 490 . 108 CYS CA C 58.921 . 1 491 . 108 CYS N N 117.006 . 1 492 . 109 ASN H H 7.938 . 1 493 . 109 ASN HA H 4.066 . 1 494 . 109 ASN C C 170.98 . 1 495 . 109 ASN CA C 52.413 . 1 496 . 109 ASN N N 116.81 . 1 497 . 110 ASP H H 7.436 . 1 498 . 110 ASP HA H 4.497 . 1 499 . 110 ASP C C 175.424 . 1 500 . 110 ASP CA C 54.709 . 1 501 . 110 ASP N N 111.146 . 1 502 . 111 VAL H H 6.926 . 1 503 . 111 VAL HA H 4.222 . 1 504 . 111 VAL C C 173.33 . 1 505 . 111 VAL CA C 61.557 . 1 506 . 111 VAL N N 116.029 . 1 507 . 112 LEU H H 8.589 . 1 508 . 112 LEU HA H 4.615 . 1 509 . 112 LEU C C 175.109 . 1 510 . 112 LEU CA C 52.983 . 1 511 . 112 LEU N N 127.749 . 1 512 . 113 ILE H H 8.029 . 1 513 . 113 ILE HA H 4.004 . 1 514 . 113 ILE C C 175.23 . 1 515 . 113 ILE CA C 60.647 . 1 516 . 113 ILE N N 123.257 . 1 517 . 114 PHE H H 8.601 . 1 518 . 114 PHE HA H 4.6 . 1 519 . 114 PHE C C 175.977 . 1 520 . 114 PHE CA C 58.291 . 1 521 . 114 PHE N N 126.187 . 1 522 . 115 SER H H 7.966 . 1 523 . 115 SER HA H 4.335 . 1 524 . 115 SER C C 173.262 . 1 525 . 115 SER CA C 57.59 . 1 526 . 115 SER N N 115.638 . 1 527 . 116 ALA H H 8.285 . 1 528 . 116 ALA HA H 4.224 . 1 529 . 116 ALA C C 177.432 . 1 530 . 116 ALA CA C 51.894 . 1 531 . 116 ALA N N 126.382 . 1 532 . 117 ILE H H 7.987 . 1 533 . 117 ILE HA H 3.97 . 1 534 . 117 ILE C C 175.747 . 1 535 . 117 ILE CA C 60.596 . 1 536 . 117 ILE N N 121.108 . 1 537 . 118 ASP H H 8.37 . 1 538 . 118 ASP HA H 4.74 . 1 539 . 118 ASP C C 174.873 . 1 540 . 118 ASP CA C 51.419 . 1 541 . 118 ASP N N 126.773 . 1 542 . 119 PRO C C 176.934 . 1 543 . 119 PRO CA C 63.054 . 1 544 . 120 HIS H H 8.419 . 1 545 . 120 HIS HA H 4.461 . 1 546 . 120 HIS C C 174.176 . 1 547 . 120 HIS CA C 55.149 . 1 548 . 120 HIS N N 118.375 . 1 549 . 121 LYS H H 7.881 . 1 550 . 121 LYS HA H 4.446 . 1 551 . 121 LYS C C 173.441 . 1 552 . 121 LYS CA C 53.843 . 1 553 . 121 LYS N N 124.72 . 1 stop_ save_