data_6592 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chromo 2 domain of cpSRP43 ; _BMRB_accession_number 6592 _BMRB_flat_file_name bmr6592.str _Entry_type original _Submission_date 2005-04-12 _Accession_date 2005-04-13 _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 Henry Ralph . . 4 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" 280 "15N chemical shifts" 52 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-07-24 update BMRB 'update chemical shift table' 2006-04-14 original author 'original release' stop_ 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 'Chromo2 domain of cpSRP43' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Chromo 2 domain' $Chromo_2_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'Chromo 2 domain' save_ ######################## # Monomeric polymers # ######################## save_Chromo_2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Chromo 2 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; GSQVFEYAEVDEIVEKRGKG KDVEYLVRWKDGGDCEWVKG VHVAEDVAKDYEDGLEY ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLN 4 VAL 5 PHE 6 GLU 7 TYR 8 ALA 9 GLU 10 VAL 11 ASP 12 GLU 13 ILE 14 VAL 15 GLU 16 LYS 17 ARG 18 GLY 19 LYS 20 GLY 21 LYS 22 ASP 23 VAL 24 GLU 25 TYR 26 LEU 27 VAL 28 ARG 29 TRP 30 LYS 31 ASP 32 GLY 33 GLY 34 ASP 35 CYS 36 GLU 37 TRP 38 VAL 39 LYS 40 GLY 41 VAL 42 HIS 43 VAL 44 ALA 45 GLU 46 ASP 47 VAL 48 ALA 49 LYS 50 ASP 51 TYR 52 GLU 53 ASP 54 GLY 55 LEU 56 GLU 57 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-01 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 BMRB 15540 C-Terminal_chromo_domain 100.00 111 100.00 100.00 2.81e-30 PDB 1X3Q "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43" 98.25 57 100.00 100.00 5.71e-29 PDB 2HUG "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43 Complexed With Cpsrp54 Peptide" 98.25 57 100.00 100.00 5.71e-29 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_2_domain Arabdopsis 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_2_domain 'recombinant technology' E.coli . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CD2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Chromo_2_domain 0.75 mM 0.5 0.8 '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_XWIN_NMR _Saveframe_category software _Name 'XWIN NMR' _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ _Details 'Data analysis' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details '700 MHz Avance' save_ ############################# # NMR applied experiments # ############################# save_1H_2D_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D TOCSY' _Sample_label . save_ save_1H_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D NOESY' _Sample_label . save_ save_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_15N_HSQC-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC-NOESY' _Sample_label . save_ save_13C-NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _Sample_label . save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCOCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_CBCACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ ####################### # Sample conditions # ####################### save_CD2_experimental_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.1 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chromo-2_domain_shifts _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_Chromo-2_domain _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWIN_NMR stop_ _Sample_conditions_label $CD2_experimental_conditions _Chem_shift_reference_set_label $Chromo-2_domain_shifts _Mol_system_component_name 'Chromo 2 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY H H 7.843 0.0 1 2 1 1 GLY HA2 H 3.999 0.0 1 3 1 1 GLY HA3 H 3.999 0.0 1 4 1 1 GLY N N 107.3 0.0 1 5 3 3 GLN HE21 H 6.791 0.0 1 6 3 3 GLN HE22 H 7.431 0.0 1 7 4 4 VAL H H 8.014 0.0 1 8 4 4 VAL HA H 4.067 0.0 1 9 4 4 VAL HB H 1.826 0.0 1 10 4 4 VAL HG1 H 0.7313 0.0 1 11 4 4 VAL HG2 H 0.8131 0.0 1 12 4 4 VAL N N 120.5 0.0 1 13 5 5 PHE H H 8.49 0.0 1 14 5 5 PHE HA H 5.535 0.0 1 15 5 5 PHE HB2 H 2.651 0.0 2 16 5 5 PHE HB3 H 2.77 0.0 2 17 5 5 PHE N N 116.5 0.0 1 18 7 7 TYR H H 8.595 0.0 1 19 7 7 TYR HA H 4.53 0.0 1 20 7 7 TYR HB2 H 2.886 0.0 2 21 7 7 TYR HB3 H 3.154 0.0 2 22 7 7 TYR HD1 H 7.174 0.0 1 23 7 7 TYR HD2 H 7.174 0.0 1 24 7 7 TYR HE1 H 6.721 0.0 1 25 7 7 TYR HE2 H 6.721 0.0 1 26 8 8 ALA H H 7.956 0.0 1 27 8 8 ALA HA H 4.221 0.0 1 28 8 8 ALA HB H 1.276 0.0 1 29 8 8 ALA N N 121.8 0.0 1 30 9 9 GLU H H 8.125 0.0 1 31 9 9 GLU HA H 4.54 0.0 1 32 9 9 GLU HB2 H 2.237 0.0 1 33 9 9 GLU HB3 H 2.237 0.0 1 34 9 9 GLU HG2 H 2.342 0.0 1 35 9 9 GLU HG3 H 2.342 0.0 1 36 9 9 GLU N N 115.5 0.0 1 37 10 10 VAL H H 8.59 0.0 1 38 10 10 VAL HA H 3.84 0.0 1 39 10 10 VAL HB H 1.907 0.0 1 40 10 10 VAL HG1 H 0.5072 0.0 1 41 10 10 VAL HG2 H 0.5072 0.0 1 42 10 10 VAL N N 123.8 0.0 1 43 11 11 ASP H H 9.049 0.0 1 44 11 11 ASP HA H 4.631 0.0 1 45 11 11 ASP HB2 H 2.152 0.0 2 46 11 11 ASP HB3 H 2.39 0.0 2 47 11 11 ASP N N 126.1 0.0 1 48 12 12 GLU H H 7.226 0.0 1 49 12 12 GLU HA H 4.361 0.0 1 50 12 12 GLU HB2 H 1.786 0.0 1 51 12 12 GLU HB3 H 1.786 0.0 1 52 12 12 GLU HG2 H 1.914 0.0 1 53 12 12 GLU HG3 H 1.914 0.0 1 54 12 12 GLU N N 112.4 0.0 1 55 13 13 ILE H H 8.5 0.0 1 56 13 13 ILE HA H 3.992 0.0 1 57 13 13 ILE HB H 1.144 0.0 1 58 13 13 ILE HG12 H 0.4045 0.0 1 59 13 13 ILE HG13 H 0.4045 0.0 1 60 13 13 ILE HG2 H 0.4045 0.0 1 61 13 13 ILE HD1 H -0.0372 0.0 1 62 13 13 ILE N N 122.5 0.0 1 63 14 14 VAL H H 8.912 0.0 1 64 14 14 VAL HA H 3.88 0.0 1 65 14 14 VAL HB H 1.63 0.0 1 66 14 14 VAL HG1 H 0.7823 0.0 1 67 14 14 VAL HG2 H 0.6226 0.0 1 68 14 14 VAL N N 124.2 0.0 1 69 15 15 GLU H H 7.217 0.0 1 70 15 15 GLU HA H 4.604 0.0 1 71 15 15 GLU HB2 H 1.914 0.0 1 72 15 15 GLU HB3 H 1.914 0.0 1 73 15 15 GLU HG2 H 2.391 0.0 1 74 15 15 GLU HG3 H 2.391 0.0 1 75 15 15 GLU N N 117.3 0.0 1 76 16 16 LYS H H 8.737 0.0 1 77 16 16 LYS HA H 5.647 0.0 1 78 16 16 LYS HB2 H 1.918 0.0 2 79 16 16 LYS HB3 H 1.815 0.0 2 80 16 16 LYS HG2 H 1.209 0.0 1 81 16 16 LYS HG3 H 1.209 0.0 1 82 16 16 LYS HD2 H 1.44 0.0 1 83 16 16 LYS HD3 H 1.44 0.0 1 84 16 16 LYS N N 120.6 0.0 1 85 17 17 ARG H H 9.194 0.0 1 86 17 17 ARG HA H 4.848 0.0 1 87 17 17 ARG HB2 H 1.72 0.0 2 88 17 17 ARG HB3 H 1.542 0.0 2 89 17 17 ARG N N 118.0 0.0 1 90 18 18 GLY H H 8.299 0.0 1 91 18 18 GLY HA2 H 4.222 0.0 2 92 18 18 GLY HA3 H 3.627 0.0 2 93 18 18 GLY N N 106.4 0.0 1 94 19 19 LYS H H 7.811 0.0 1 95 19 19 LYS HA H 4.536 0.0 1 96 19 19 LYS HB2 H 1.733 0.0 2 97 19 19 LYS HB3 H 1.619 0.0 2 98 19 19 LYS HG2 H 1.29 0.0 1 99 19 19 LYS HG3 H 1.29 0.0 1 100 19 19 LYS HE2 H 2.913 0.0 1 101 19 19 LYS HE3 H 2.913 0.0 1 102 19 19 LYS N N 115.2 0.0 1 103 20 20 GLY H H 8.794 0.0 1 104 20 20 GLY HA2 H 3.904 0.0 2 105 20 20 GLY HA3 H 3.907 0.0 2 106 20 20 GLY N N 110.9 0.0 1 107 21 21 LYS H H 7.931 0.0 1 108 21 21 LYS HA H 4.187 0.0 1 109 21 21 LYS HB2 H 1.6 0.0 2 110 21 21 LYS HB3 H 1.424 0.0 2 111 21 21 LYS HE2 H 3.015 0.0 1 112 21 21 LYS HE3 H 3.015 0.0 1 113 21 21 LYS N N 121.1 0.0 1 114 22 22 ASP H H 7.931 0.0 1 115 22 22 ASP HA H 4.781 0.0 1 116 22 22 ASP HB2 H 2.909 0.0 2 117 22 22 ASP HB3 H 2.644 0.0 2 118 22 22 ASP N N 118.6 0.0 1 119 23 23 VAL H H 6.89 0.0 1 120 23 23 VAL HA H 4.13 0.0 1 121 23 23 VAL HB H 1.716 0.0 1 122 23 23 VAL HG1 H 0.7084 0.0 1 123 23 23 VAL HG2 H 0.5589 0.0 1 124 23 23 VAL N N 120.3 0.0 1 125 24 24 GLU H H 8.964 0.0 1 126 24 24 GLU HA H 4.852 0.0 1 127 24 24 GLU HB2 H 1.734 0.0 1 128 24 24 GLU HB3 H 1.734 0.0 1 129 24 24 GLU HG2 H 2.202 0.0 1 130 24 24 GLU HG3 H 2.202 0.0 1 131 24 24 GLU N N 125.8 0.0 1 132 25 25 TYR H H 9.192 0.0 1 133 25 25 TYR HA H 5.302 0.0 1 134 25 25 TYR HB2 H 2.294 0.0 2 135 25 25 TYR HB3 H 2.699 0.0 2 136 25 25 TYR HD1 H 6.798 0.0 1 137 25 25 TYR HD2 H 6.798 0.0 1 138 25 25 TYR HE1 H 6.685 0.0 1 139 25 25 TYR HE2 H 6.685 0.0 1 140 25 25 TYR N N 121.4 0.0 1 141 26 26 LEU H H 8.318 0.0 1 142 26 26 LEU HA H 3.627 0.0 1 143 26 26 LEU HG H 0.8867 0.0 1 144 26 26 LEU HD1 H -1.652 0.0 1 145 26 26 LEU HD2 H -1.652 0.0 1 146 26 26 LEU N N 127.8 0.0 1 147 27 27 VAL H H 8.299 0.0 1 148 27 27 VAL HA H 4.222 0.0 1 149 27 27 VAL HB H 1.21 0.0 1 150 27 27 VAL HG1 H 0.7605 0.0 1 151 27 27 VAL HG2 H 0.7605 0.0 1 152 28 28 ARG H H 8.125 0.0 1 153 28 28 ARG HA H 4.54 0.0 1 154 28 28 ARG HB2 H 1.284 0.0 2 155 28 28 ARG HB3 H 1.601 0.0 2 156 28 28 ARG N N 121.9 0.0 1 157 29 29 TRP H H 8.658 0.0 1 158 29 29 TRP HA H 4.905 0.0 1 159 29 29 TRP HB2 H 3.494 0.0 2 160 29 29 TRP HB3 H 3.081 0.0 2 161 29 29 TRP HD1 H 7.064 0.0 1 162 29 29 TRP HE1 H 10.12 0.0 1 163 29 29 TRP HZ2 H 6.97 0.0 1 164 29 29 TRP HZ3 H 6.613 0.0 1 165 29 29 TRP HH2 H 6.69 0.0 1 166 29 29 TRP N N 128.5 0.0 1 167 30 30 LYS H H 8.657 0.0 1 168 30 30 LYS HA H 3.981 0.0 1 169 30 30 LYS N N 122.8 0.0 1 170 31 31 ASP H H 8.722 0.0 1 171 31 31 ASP HA H 4.585 0.0 1 172 31 31 ASP HB2 H 2.726 0.0 2 173 31 31 ASP HB3 H 2.61 0.0 2 174 31 31 ASP N N 117.0 0.0 1 175 32 32 GLY H H 8.081 0.0 1 176 32 32 GLY HA2 H 4.29 0.0 2 177 32 32 GLY HA3 H 3.761 0.0 2 178 32 32 GLY N N 110.1 0.0 1 179 33 33 GLY H H 7.689 0.0 1 180 33 33 GLY HA2 H 3.765 0.0 2 181 33 33 GLY HA3 H 3.997 0.0 2 182 33 33 GLY N N 106.8 0.0 1 183 34 34 ASP H H 8.493 0.0 1 184 34 34 ASP HA H 4.719 0.0 1 185 34 34 ASP HB2 H 2.77 0.0 2 186 34 34 ASP HB3 H 2.651 0.0 2 187 34 34 ASP N N 120.0 0.0 1 188 35 35 CYS H H 8.381 0.0 1 189 35 35 CYS HA H 5.304 0.0 1 190 35 35 CYS HB2 H 2.751 0.0 2 191 35 35 CYS HB3 H 2.514 0.0 2 192 35 35 CYS N N 116.8 0.0 1 193 36 36 GLU H H 8.308 0.0 1 194 36 36 GLU HA H 4.464 0.0 1 195 36 36 GLU HB2 H 2.006 0.0 2 196 36 36 GLU HB3 H 1.931 0.0 2 197 36 36 GLU HG2 H 2.28 0.0 1 198 36 36 GLU HG3 H 2.28 0.0 1 199 36 36 GLU N N 122.3 0.0 1 200 37 37 TRP H H 8.693 0.0 1 201 37 37 TRP HA H 4.987 0.0 1 202 37 37 TRP HB2 H 2.823 0.0 2 203 37 37 TRP HB3 H 2.987 0.0 2 204 37 37 TRP HD1 H 6.92 0.0 1 205 37 37 TRP HE1 H 10.07 0.0 1 206 37 37 TRP HE3 H 7.298 0.0 1 207 37 37 TRP HZ2 H 7.483 0.0 1 208 37 37 TRP HZ3 H 6.738 0.0 1 209 37 37 TRP HH2 H 6.611 0.0 1 210 37 37 TRP N N 125.0 0.0 1 211 38 38 VAL H H 9.797 0.0 1 212 38 38 VAL HA H 4.696 0.0 1 213 38 38 VAL HB H 2.102 0.0 1 214 38 38 VAL HG1 H 0.8789 0.0 1 215 38 38 VAL HG2 H 1.12 0.0 1 216 38 38 VAL N N 123.7 0.0 1 217 39 39 LYS H H 8.979 0.0 1 218 39 39 LYS HA H 4.357 0.0 1 219 39 39 LYS HB2 H 2.099 0.0 2 220 39 39 LYS HB3 H 2.205 0.0 2 221 39 39 LYS HG2 H 1.734 0.0 1 222 39 39 LYS HG3 H 1.734 0.0 1 223 39 39 LYS HD2 H 1.734 0.0 1 224 39 39 LYS HD3 H 1.734 0.0 1 225 39 39 LYS N N 123.7 0.0 1 226 40 40 GLY H H 8.675 0.0 1 227 40 40 GLY HA2 H 3.707 0.0 2 228 40 40 GLY HA3 H 3.824 0.0 2 229 40 40 GLY N N 109.8 0.0 1 230 41 41 VAL H H 7.521 0.0 1 231 41 41 VAL HA H 4.125 0.0 1 232 41 41 VAL HB H 2.076 0.0 1 233 41 41 VAL HG1 H 0.7591 0.0 1 234 41 41 VAL HG2 H 0.5881 0.0 1 235 41 41 VAL N N 113.4 0.0 1 236 42 42 HIS H H 8.068 0.0 1 237 42 42 HIS HA H 4.902 0.0 1 238 42 42 HIS HB2 H 3.438 0.0 2 239 42 42 HIS HB3 H 3.141 0.0 2 240 42 42 HIS HD2 H 6.984 0.0 1 241 42 42 HIS HE1 H 7.864 0.0 1 242 42 42 HIS N N 118.9 0.0 1 243 43 43 VAL H H 7.789 0.0 1 244 43 43 VAL HA H 4.27 0.0 1 245 43 43 VAL HB H 2.052 0.0 1 246 43 43 VAL HG1 H 0.7993 0.0 1 247 43 43 VAL HG2 H 0.8956 0.0 1 248 43 43 VAL N N 120.2 0.0 1 249 44 44 ALA H H 8.597 0.0 1 250 44 44 ALA HA H 3.989 0.0 1 251 44 44 ALA HB H 1.433 0.0 1 252 44 44 ALA N N 129.0 0.0 1 253 45 45 GLU H H 8.657 0.0 1 254 45 45 GLU HA H 3.981 0.0 1 255 45 45 GLU HB2 H 1.792 0.0 1 256 45 45 GLU HB3 H 1.792 0.0 1 257 45 45 GLU N N 120.9 0.0 1 258 46 46 ASP H H 8.741 0.0 1 259 46 46 ASP HA H 4.324 0.0 1 260 46 46 ASP HB2 H 2.711 0.0 2 261 46 46 ASP HB3 H 2.61 0.0 2 262 46 46 ASP N N 117.3 0.0 1 263 47 47 VAL H H 7.17 0.0 1 264 47 47 VAL HA H 3.572 0.0 1 265 47 47 VAL HB H 1.933 0.0 1 266 47 47 VAL HG1 H 0.5826 0.0 1 267 47 47 VAL HG2 H 0.5826 0.0 1 268 47 47 VAL N N 120.8 0.0 1 269 48 48 ALA H H 7.776 0.0 1 270 48 48 ALA HA H 3.688 0.0 1 271 48 48 ALA HB H 1.317 0.0 1 272 48 48 ALA N N 122.8 0.0 1 273 49 49 LYS H H 8.266 0.0 1 274 49 49 LYS HA H 3.969 0.0 1 275 49 49 LYS HB2 H 1.821 0.0 1 276 49 49 LYS HB3 H 1.821 0.0 1 277 49 49 LYS HG2 H 1.318 0.0 1 278 49 49 LYS HG3 H 1.318 0.0 1 279 49 49 LYS HD2 H 1.423 0.0 1 280 49 49 LYS HD3 H 1.423 0.0 1 281 49 49 LYS N N 118.4 0.0 1 282 50 50 ASP H H 7.892 0.0 1 283 50 50 ASP HA H 4.352 0.0 1 284 50 50 ASP HB2 H 2.624 0.0 2 285 50 50 ASP HB3 H 2.748 0.0 2 286 50 50 ASP N N 118.4 0.0 1 287 51 51 TYR H H 7.47 0.0 1 288 51 51 TYR HA H 4.22 0.0 1 289 51 51 TYR HB2 H 2.923 0.0 1 290 51 51 TYR HB3 H 2.923 0.0 1 291 51 51 TYR HD1 H 6.963 0.0 1 292 51 51 TYR HD2 H 6.963 0.0 1 293 51 51 TYR HE1 H 6.594 0.0 1 294 51 51 TYR HE2 H 6.594 0.0 1 295 51 51 TYR N N 119.3 0.0 1 296 52 52 GLU H H 8.476 0.0 1 297 52 52 GLU HA H 3.867 0.0 1 298 52 52 GLU HB2 H 1.937 0.0 2 299 52 52 GLU HB3 H 2.114 0.0 2 300 52 52 GLU HG2 H 2.424 0.0 2 301 52 52 GLU HG3 H 2.543 0.0 2 302 52 52 GLU N N 119.9 0.0 1 303 53 53 ASP H H 8.695 0.0 1 304 53 53 ASP HA H 4.457 0.0 1 305 53 53 ASP HB2 H 2.61 0.0 2 306 53 53 ASP HB3 H 2.726 0.0 2 307 53 53 ASP N N 119.5 0.0 1 308 54 54 GLY H H 7.644 0.0 1 309 54 54 GLY HA2 H 3.797 0.0 2 310 54 54 GLY HA3 H 3.983 0.0 2 311 54 54 GLY N N 107.0 0.0 1 312 55 55 LEU H H 7.31 0.0 1 313 55 55 LEU HA H 4.174 0.0 1 314 55 55 LEU HB2 H 1.648 0.0 2 315 55 55 LEU HB3 H 1.336 0.0 2 316 55 55 LEU N N 120.3 0.0 1 317 56 56 GLU H H 7.993 0.0 1 318 56 56 GLU HA H 4.231 0.0 1 319 56 56 GLU HB2 H 1.961 0.0 2 320 56 56 GLU HB3 H 1.826 0.0 2 321 56 56 GLU HG2 H 2.211 0.0 2 322 56 56 GLU HG3 H 2.099 0.0 2 323 56 56 GLU N N 120.5 0.0 1 324 57 57 TYR H H 7.602 0.0 1 325 57 57 TYR HA H 4.346 0.0 1 326 57 57 TYR HB2 H 2.851 0.0 2 327 57 57 TYR HB3 H 3.029 0.0 2 328 57 57 TYR HD1 H 7.062 0.0 1 329 57 57 TYR HD2 H 7.062 0.0 1 330 57 57 TYR HE1 H 6.787 0.0 1 331 57 57 TYR HE2 H 6.787 0.0 1 332 57 57 TYR N N 125.5 0.0 1 stop_ save_