data_6589 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Chromo Domain of cpSRP43 ; _BMRB_accession_number 6589 _BMRB_flat_file_name bmr6589.str _Entry_type original _Submission_date 2005-04-12 _Accession_date 2005-04-12 _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 Vaithiyalingam Sivaraja . . 2 Thallapuranam 'Suresh Kumar' Krishnaswamy . 3 Philominathan Leena Sagaya-Theresa . 4 Henry Ralph . . 5 Yu Chin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 199 "13C chemical shifts" 107 "15N chemical shifts" 44 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-05 original author . stop_ _Original_release_date 2007-02-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Three-dimensional solution structures of the chromodomains of cpSRP43' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16183644 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sivaraja Vaithiyalingam . . 2 'Suresh Kumar' Thallapuranam Krishnaswamy . 3 Leena Philominathan Sagaya-Theresa . 4 Chang Anne . . 5 Vidya Chitturi . . 6 Goforth Robyn L. . 7 Rajalingam Dakshinamurthy . . 8 Arvind Kannan . . 9 Ye Jian-Liang . . 10 Chou Jonathan . . 11 Henry Ralph . . 12 Yu Chin . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 41465 _Page_last 41471 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Chromo domain 1 of cpSRP43' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Chromo domain 1 of cpSRP43' $Chromo_domain_1_of_cpSRP43 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Participates in transport of proteins in the chloroplast' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Chromo_domain_1_of_cpSRP43 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Chromo 1' _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Involved in transport of protein in the chloroplast' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 47 _Mol_residue_sequence ; GSGEVNKIIGSRTAGEGAME YLIEWKDGHSPSWVPSSYIA ADVVSEY ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLY 4 GLU 5 VAL 6 ASN 7 LYS 8 ILE 9 ILE 10 GLY 11 SER 12 ARG 13 THR 14 ALA 15 GLY 16 GLU 17 GLY 18 ALA 19 MET 20 GLU 21 TYR 22 LEU 23 ILE 24 GLU 25 TRP 26 LYS 27 ASP 28 GLY 29 HIS 30 SER 31 PRO 32 SER 33 TRP 34 VAL 35 PRO 36 SER 37 SER 38 TYR 39 ILE 40 ALA 41 ALA 42 ASP 43 VAL 44 VAL 45 SER 46 GLU 47 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1X32 "Three Dimensional Solution Structure Of The Chromo1 Domain Of Cpsrp43" 97.87 47 100.00 100.00 4.67e-23 PDB 3DEO "Structural Basis For Specific Substrate Recognition By The Chloroplast Signal Recognition Particle Protein Cpsrp43" 93.62 183 100.00 100.00 8.84e-22 PDB 3DEP "Structural Basis For Specific Substrate Recognition By The Chloroplast Signal Recognition Particle Protein Cpsrp43" 93.62 183 100.00 100.00 8.84e-22 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Chromo_domain_1_of_cpSRP43 'thale cress' 3702 Eubacteria 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 $Chromo_domain_1_of_cpSRP43 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CD1_-_Chromo_1_domain _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Chromo_domain_1_of_cpSRP43 0.75 mM 0.50 0.8 '[U-15N; U-13C]' 'phosphate buffer' 100 mM . . . NaCl 100 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'XWIN NMR' _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details Avance save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_(example)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N_HSQC (example)' _Sample_label $CD1_-_Chromo_1_domain save_ save_1H_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D NOESY' _Sample_label $CD1_-_Chromo_1_domain save_ save_1H_2D_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D TOCSY' _Sample_label $CD1_-_Chromo_1_domain save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $CD1_-_Chromo_1_domain save_ save_HNCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $CD1_-_Chromo_1_domain save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $CD1_-_Chromo_1_domain save_ save_3D_15N_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $CD1_-_Chromo_1_domain save_ save_1H_2D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_CD1_sample _Saveframe_category sample_conditions _Details 'prepared 100 mM phosphate buffer containing 100 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.1 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $CD1_-_Chromo_1_domain stop_ _Sample_conditions_label $CD1_sample _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Chromo domain 1 of cpSRP43' _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 SER C C 172.4 0.0 1 2 2 2 SER CA C 56.2 0.0 1 3 2 2 SER CB C 61.0 0.0 1 4 3 3 GLY H H 8.579 0.0 1 5 3 3 GLY HA2 H 3.857 0.0 2 6 3 3 GLY C C 171.5 0.0 1 7 3 3 GLY CA C 42.94 0.0 1 8 3 3 GLY N N 110.98 0.0 1 9 4 4 GLU H H 8.266 0.0 1 10 4 4 GLU HA H 4.371 0.0 1 11 4 4 GLU HB2 H 1.892 0.0 1 12 4 4 GLU HB3 H 1.892 0.0 1 13 4 4 GLU HG2 H 2.109 0.0 1 14 4 4 GLU HG3 H 2.109 0.0 1 15 4 4 GLU CA C 53.94 0.0 1 16 4 4 GLU CB C 28.01 0.0 1 17 4 4 GLU N N 119.282 0.0 1 18 5 5 VAL H H 8.185 0.0 1 19 5 5 VAL HA H 3.698 0.0 1 20 5 5 VAL HB H 2.009 0.0 1 21 5 5 VAL HG1 H 0.552 0.0 1 22 5 5 VAL HG2 H 0.552 0.0 1 23 5 5 VAL C C 172.8 0.0 1 24 5 5 VAL CA C 60.02 0.0 1 25 5 5 VAL N N 122.016 0.0 1 26 6 6 ASN H H 8.852 0.0 1 27 6 6 ASN HA H 3.657 0.0 1 28 6 6 ASN HB2 H 2.208 0.0 2 29 6 6 ASN HB3 H 2.349 0.0 2 30 6 6 ASN HD21 H 7.08 0.0 1 31 6 6 ASN HD22 H 7.86 0.0 1 32 6 6 ASN CA C 51.6 0.0 1 33 6 6 ASN N N 124.1 0.0 1 34 6 6 ASN ND2 N 115.0 0.0 1 35 7 7 LYS H H 7.531 0.0 1 36 7 7 LYS HA H 4.27 0.0 1 37 7 7 LYS HB2 H 1.448 0.0 2 38 7 7 LYS HB3 H 1.618 0.0 2 39 7 7 LYS HG2 H 1.083 0.0 1 40 7 7 LYS HG3 H 1.083 0.0 1 41 7 7 LYS C C 171.1 0.0 1 42 7 7 LYS CA C 52.53 0.0 1 43 7 7 LYS CB C 32.8 0.0 1 44 7 7 LYS N N 116.137 0.0 1 45 8 8 ILE H H 8.852 0.0 1 46 8 8 ILE HA H 4.052 0.0 1 47 8 8 ILE HB H 1.428 0.0 1 48 8 8 ILE HG2 H 0.691 0.0 1 49 8 8 ILE C C 174.3 0.0 1 50 8 8 ILE CA C 59.01 0.0 1 51 8 8 ILE CB C 35.7 0.0 1 52 8 8 ILE N N 122.973 0.0 1 53 9 9 ILE H H 8.866 0.0 1 54 9 9 ILE HA H 4.406 0.0 1 55 9 9 ILE HB H 1.873 0.0 1 56 9 9 ILE HG2 H 0.551 0.0 1 57 9 9 ILE C C 172.8 0.0 1 58 9 9 ILE CA C 58.74 0.0 1 59 9 9 ILE CB C 36.13 0.0 1 60 9 9 ILE N N 120.512 0.0 1 61 10 10 GLY H H 7.286 0.0 1 62 10 10 GLY HA2 H 4.098 0.0 2 63 10 10 GLY HA3 H 3.763 0.0 2 64 10 10 GLY C C 168.4 0.0 1 65 10 10 GLY CA C 42.99 0.0 1 66 10 10 GLY N N 109.573 0.0 1 67 11 11 SER H H 8.566 0.0 1 68 11 11 SER HA H 5.66 0.0 1 69 11 11 SER HB2 H 3.78 0.0 1 70 11 11 SER HB3 H 3.78 0.0 1 71 11 11 SER C C 169.6 0.0 1 72 11 11 SER CA C 54.98 0.0 1 73 11 11 SER CB C 64.29 0.0 1 74 11 11 SER N N 113.539 0.0 1 75 12 12 ARG H H 8.879 0.0 1 76 12 12 ARG HA H 4.98 0.0 1 77 12 12 ARG HB2 H 1.812 0.0 2 78 12 12 ARG HB3 H 1.607 0.0 2 79 12 12 ARG HG2 H 1.491 0.0 1 80 12 12 ARG HG3 H 1.491 0.0 1 81 12 12 ARG C C 170.5 0.0 1 82 12 12 ARG CA C 52.03 0.0 1 83 12 12 ARG CB C 29.37 0.0 1 84 12 12 ARG N N 118.051 0.0 1 85 13 13 THR H H 8.215 0.0 1 86 13 13 THR HA H 4.637 0.0 1 87 13 13 THR HB H 4.003 0.0 1 88 13 13 THR HG2 H 1.046 0.0 1 89 13 13 THR C C 171.4 0.0 1 90 13 13 THR CA C 59.01 0.0 1 91 13 13 THR CB C 67.13 0.0 1 92 13 13 THR N N 114.6 0.0 1 93 14 14 ALA H H 8.416 0.0 1 94 14 14 ALA HA H 4.36 0.0 1 95 14 14 ALA HB H 1.02 0.0 1 96 14 14 ALA C C 174.1 0.0 1 97 14 14 ALA CA C 48.11 0.0 1 98 14 14 ALA CB C 17.2 0.0 1 99 14 14 ALA N N 128.853 0.0 1 100 15 15 GLY H H 8.089 0.0 1 101 15 15 GLY HA2 H 3.68 0.0 2 102 15 15 GLY HA3 H 3.88 0.0 2 103 15 15 GLY C C 171.5 0.0 1 104 15 15 GLY CA C 42.66 0.0 1 105 15 15 GLY N N 108.753 0.0 1 106 16 16 GLU H H 8.553 0.0 1 107 16 16 GLU HA H 3.935 0.0 1 108 16 16 GLU HB2 H 1.946 0.0 1 109 16 16 GLU HB3 H 1.946 0.0 1 110 16 16 GLU HG2 H 2.134 0.0 1 111 16 16 GLU HG3 H 2.134 0.0 1 112 16 16 GLU C C 174.5 0.0 1 113 16 16 GLU CA C 54.21 0.0 1 114 16 16 GLU CB C 25.73 0.0 1 115 16 16 GLU N N 120.239 0.0 1 116 17 17 GLY H H 8.321 0.0 1 117 17 17 GLY HA2 H 3.581 0.0 2 118 17 17 GLY HA3 H 3.97 0.0 2 119 17 17 GLY C C 170.9 0.0 1 120 17 17 GLY CA C 42.91 0.0 1 121 17 17 GLY N N 109.573 0.0 1 122 18 18 ALA H H 7.572 0.0 1 123 18 18 ALA HA H 4.452 0.0 1 124 18 18 ALA HB H 1.238 0.0 1 125 18 18 ALA C C 173.5 0.0 1 126 18 18 ALA CA C 48.87 0.0 1 127 18 18 ALA CB C 17.5 0.0 1 128 18 18 ALA N N 123.247 0.0 1 129 19 19 MET H H 8.457 0.0 1 130 19 19 MET HA H 4.943 0.0 1 131 19 19 MET HB2 H 1.636 0.0 2 132 19 19 MET HB3 H 1.783 0.0 2 133 19 19 MET HG2 H 2.229 0.0 2 134 19 19 MET HG3 H 2.369 0.0 2 135 19 19 MET C C 173.3 0.0 1 136 19 19 MET CA C 51.33 0.0 1 137 19 19 MET CB C 31.67 0.0 1 138 19 19 MET N N 120.5 0.0 1 139 20 20 GLU H H 8.553 0.0 1 140 20 20 GLU HA H 4.813 0.0 1 141 20 20 GLU HB2 H 1.946 0.0 1 142 20 20 GLU HB3 H 1.946 0.0 1 143 20 20 GLU HG2 H 2.134 0.0 1 144 20 20 GLU HG3 H 2.134 0.0 1 145 20 20 GLU C C 171.9 0.0 1 146 20 20 GLU CA C 51.4 0.0 1 147 20 20 GLU CB C 32.02 0.0 1 148 20 20 GLU N N 121.5 0.0 1 149 21 21 TYR H H 9.029 0.0 1 150 21 21 TYR HA H 5.196 0.0 1 151 21 21 TYR HB2 H 2.295 0.0 2 152 21 21 TYR HB3 H 2.8 0.0 2 153 21 21 TYR HD1 H 6.966 0.0 1 154 21 21 TYR HD2 H 6.966 0.0 1 155 21 21 TYR HE1 H 6.71 0.0 1 156 21 21 TYR HE2 H 6.71 0.0 1 157 21 21 TYR C C 170.3 0.0 1 158 21 21 TYR CA C 53.67 0.0 1 159 21 21 TYR CB C 39.62 0.0 1 160 21 21 TYR N N 117.504 0.0 1 161 22 22 LEU H H 7.681 0.0 1 162 22 22 LEU HA H 3.439 0.0 1 163 22 22 LEU HD1 H 0.448 0.0 1 164 22 22 LEU HD2 H 0.448 0.0 1 165 22 22 LEU C C 171.5 0.0 1 166 22 22 LEU CA C 50.24 0.0 1 167 22 22 LEU CB C 37.17 0.0 1 168 22 22 LEU N N 127.349 0.0 1 169 23 23 ILE H H 8.103 0.0 1 170 23 23 ILE HA H 3.989 0.0 1 171 23 23 ILE HG2 H 0.883 0.0 1 172 23 23 ILE CA C 54.98 0.0 1 173 23 23 ILE N N 126.93 0.0 1 174 25 25 TRP HD1 H 6.82 0.0 1 175 25 25 TRP HE1 H 9.65 0.0 1 176 25 25 TRP HZ2 H 7.413 0.0 1 177 25 25 TRP HZ3 H 6.79 0.0 1 178 25 25 TRP HH2 H 6.889 0.0 1 179 25 25 TRP CA C 53.2 0.0 1 180 25 25 TRP CB C 28.34 0.0 1 181 25 25 TRP NE1 N 129.1 0.0 1 182 26 26 LYS H H 9.03 0.0 1 183 26 26 LYS HA H 4.024 0.0 1 184 26 26 LYS HB2 H 1.69 0.0 1 185 26 26 LYS HB3 H 1.69 0.0 1 186 26 26 LYS C C 174.2 0.0 1 187 26 26 LYS N N 124.5 0.0 1 188 27 27 ASP H H 8.31 0.0 1 189 27 27 ASP HA H 4.43 0.0 1 190 27 27 ASP HB2 H 2.607 0.0 2 191 27 27 ASP HB3 H 3.012 0.0 2 192 27 27 ASP C C 174.8 0.0 1 193 27 27 ASP CA C 50.94 0.0 1 194 27 27 ASP CB C 37.49 0.0 1 195 27 27 ASP N N 116.3 0.0 1 196 28 28 GLY H H 7.789 0.0 1 197 28 28 GLY HA2 H 3.72 0.0 2 198 28 28 GLY HA3 H 4.102 0.0 2 199 28 28 GLY C C 172.3 0.0 1 200 28 28 GLY CA C 42.77 0.0 1 201 28 28 GLY N N 106.6 0.0 1 202 29 29 HIS H H 7.9 0.0 1 203 29 29 HIS HA H 4.443 0.0 1 204 29 29 HIS HB2 H 2.881 0.0 2 205 29 29 HIS HB3 H 3.167 0.0 2 206 29 29 HIS HD2 H 7.031 0.0 1 207 29 29 HIS HE1 H 8.061 0.0 1 208 29 29 HIS C C 171.2 0.0 1 209 29 29 HIS CA C 53.72 0.0 1 210 29 29 HIS CB C 24.88 0.0 1 211 29 29 HIS N N 119.4 0.0 1 212 30 30 SER H H 8.457 0.0 1 213 30 30 SER HA H 3.863 0.0 1 214 30 30 SER HB2 H 3.763 0.0 1 215 30 30 SER HB3 H 3.763 0.0 1 216 30 30 SER CA C 55.36 0.0 1 217 30 30 SER CB C 59.99 0.0 1 218 30 30 SER N N 118.4 0.0 1 219 31 31 PRO HA H 4.89 0.0 1 220 31 31 PRO HD2 H 3.531 0.0 1 221 31 31 PRO HD3 H 3.531 0.0 1 222 31 31 PRO C C 173.8 0.0 1 223 31 31 PRO CA C 61.65 0.0 1 224 31 31 PRO CB C 29.56 0.0 1 225 32 32 SER H H 7.692 0.0 1 226 32 32 SER HA H 4.649 0.0 1 227 32 32 SER C C 169.4 0.0 1 228 32 32 SER CA C 54.11 0.0 1 229 32 32 SER CB C 62.99 0.0 1 230 32 32 SER N N 115.4 0.0 1 231 33 33 TRP H H 8.396 0.0 1 232 33 33 TRP HA H 5.118 0.0 1 233 33 33 TRP HB2 H 2.718 0.0 2 234 33 33 TRP HB3 H 2.853 0.0 2 235 33 33 TRP HD1 H 7.143 0.0 1 236 33 33 TRP HE1 H 9.93 0.0 1 237 33 33 TRP HZ2 H 7.25 0.0 1 238 33 33 TRP HZ3 H 6.4 0.0 1 239 33 33 TRP HH2 H 6.72 0.0 1 240 33 33 TRP CA C 53.97 0.0 1 241 33 33 TRP CB C 27.5 0.0 1 242 33 33 TRP N N 122.3 0.0 1 243 33 33 TRP NE1 N 129.44 0.0 1 244 34 34 VAL HA H 4.9 0.0 1 245 34 34 VAL HB H 1.96 0.0 1 246 34 34 VAL HG1 H 0.84 0.0 1 247 34 34 VAL HG2 H 0.84 0.0 1 248 34 34 VAL N N 120.0 0.0 1 249 35 35 PRO HB2 H 2.71 0.0 1 250 35 35 PRO HB3 H 2.71 0.0 1 251 35 35 PRO HG2 H 1.46 0.0 2 252 35 35 PRO HG3 H 1.64 0.0 2 253 36 36 SER H H 8.286 0.0 1 254 36 36 SER HA H 3.997 0.0 1 255 36 36 SER HB3 H 3.739 0.0 2 256 36 36 SER C C 173.4 0.0 1 257 36 36 SER CA C 58.87 0.0 1 258 36 36 SER CB C 60.07 0.0 1 259 36 36 SER N N 116.1 0.0 1 260 37 37 SER H H 7.984 0.0 1 261 37 37 SER HB2 H 3.837 0.0 1 262 37 37 SER HB3 H 3.837 0.0 1 263 37 37 SER C C 172.5 0.0 1 264 37 37 SER CA C 57.13 0.0 1 265 37 37 SER CB C 59.74 0.0 1 266 37 37 SER N N 114.8 0.0 2 267 38 38 TYR H H 8.059 0.0 1 268 38 38 TYR HA H 4.226 0.0 1 269 38 38 TYR HB2 H 3.06 0.0 2 270 38 38 TYR HB3 H 3.125 0.0 2 271 38 38 TYR HD1 H 6.997 0.0 1 272 38 38 TYR HD2 H 6.997 0.0 1 273 38 38 TYR HE1 H 6.778 0.0 1 274 38 38 TYR HE2 H 6.778 0.0 1 275 38 38 TYR CA C 57.07 0.0 1 276 38 38 TYR N N 122.6 0.0 1 277 39 39 ILE H H 7.238 0.0 1 278 39 39 ILE HA H 4.066 0.0 1 279 39 39 ILE HB H 1.886 0.0 1 280 39 39 ILE HG2 H 0.714 0.0 1 281 39 39 ILE C C 172.5 0.0 1 282 39 39 ILE N N 115.1 0.0 1 283 40 40 ALA H H 7.89 0.0 1 284 40 40 ALA HA H 4.021 0.0 1 285 40 40 ALA HB H 1.304 0.0 1 286 40 40 ALA C C 174.8 0.0 1 287 40 40 ALA CA C 49.8 0.0 1 288 40 40 ALA CB C 16.66 0.0 1 289 40 40 ALA N N 126.9 0.0 1 290 41 41 ALA H H 8.109 0.0 1 291 41 41 ALA HA H 4.121 0.0 1 292 41 41 ALA HB H 1.281 0.0 1 293 41 41 ALA CA C 50.15 0.0 1 294 41 41 ALA CB C 16.3 0.0 1 295 41 41 ALA N N 122.7 0.0 1 296 42 42 ASP H H 8.161 0.0 1 297 42 42 ASP HA H 4.429 0.0 1 298 42 42 ASP HB2 H 2.521 0.0 1 299 42 42 ASP HB3 H 2.521 0.0 1 300 42 42 ASP C C 173.4 0.0 1 301 42 42 ASP CA C 51.68 0.0 1 302 42 42 ASP CB C 37.9 0.0 1 303 42 42 ASP N N 117.4 0.0 1 304 43 43 VAL H H 7.69 0.0 1 305 43 43 VAL HA H 3.984 0.0 1 306 43 43 VAL HB H 1.954 0.0 1 307 43 43 VAL HG1 H 0.764 0.0 1 308 43 43 VAL HG2 H 0.764 0.0 1 309 43 43 VAL C C 173.6 0.0 1 310 43 43 VAL CA C 59.91 0.0 1 311 43 43 VAL CB C 29.95 0.0 1 312 43 43 VAL N N 119.8 0.0 1 313 44 44 VAL H H 7.997 0.0 1 314 44 44 VAL HA H 3.93 0.0 1 315 44 44 VAL HB H 1.914 0.0 1 316 44 44 VAL HG1 H 0.769 0.0 1 317 44 44 VAL HG2 H 0.769 0.0 1 318 44 44 VAL C C 173.4 0.0 1 319 44 44 VAL CA C 59.85 0.0 1 320 44 44 VAL CB C 29.8 0.0 1 321 44 44 VAL N N 123.7 0.0 1 322 45 45 SER H H 8.171 0.0 1 323 45 45 SER HA H 4.325 0.0 1 324 45 45 SER HB2 H 3.635 0.0 1 325 45 45 SER HB3 H 3.635 0.0 1 326 45 45 SER C C 171.4 0.0 1 327 45 45 SER CA C 55.71 0.0 1 328 45 45 SER CB C 61.22 0.0 1 329 45 45 SER N N 118.87 0.0 1 330 46 46 GLU H H 8.103 0.0 1 331 46 46 GLU HA H 4.125 0.0 1 332 46 46 GLU HB2 H 1.737 0.0 1 333 46 46 GLU HB3 H 1.737 0.0 1 334 46 46 GLU HG2 H 2.023 0.0 1 335 46 46 GLU HG3 H 2.023 0.0 1 336 46 46 GLU C C 172.2 0.0 1 337 46 46 GLU CA C 53.75 0.0 1 338 46 46 GLU CB C 27.72 0.0 1 339 46 46 GLU N N 122.7 0.0 1 340 47 47 TYR H H 7.504 0.0 1 341 47 47 TYR HA H 4.229 0.0 1 342 47 47 TYR HB2 H 2.696 0.0 2 343 47 47 TYR HB3 H 2.909 0.0 2 344 47 47 TYR HD1 H 7.004 0.0 1 345 47 47 TYR HD2 H 7.004 0.0 1 346 47 47 TYR HE1 H 6.665 0.0 1 347 47 47 TYR HE2 H 6.665 0.0 1 348 47 47 TYR CA C 56.48 0.0 1 349 47 47 TYR CB C 36.81 0.0 1 350 47 47 TYR N N 125.024 0.0 1 stop_ save_