data_25024 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 3D structure of RP domain of MiSp ; _BMRB_accession_number 25024 _BMRB_flat_file_name bmr25024.str _Entry_type original _Submission_date 2014-06-16 _Accession_date 2014-06-16 _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 Yang Daiwen . . 2 Gao Zhenwei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 257 "13C chemical shifts" 136 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-15 original BMRB . stop_ _Original_release_date 2015-06-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 3D structure of RP domain of MiSp ; _Citation_status 'in preparation' _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 Gao Daiwen . . 2 Yang Daiwen . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RP domain of MiSp' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RP domain of MiSp' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12115.084 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GNAFAQSLSSNLLSSGDFVQ MISSTTSTDQAVSVATSVAQ NVGNQLGLDANAMNSLLGAV SGYVSTLGNAISDASAYANA ISSAIGNVLANSGSISESTA SSAASSAASSVTTTLTSYGP AVFYA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 GLY 2 18 ASN 3 19 ALA 4 20 PHE 5 21 ALA 6 22 GLN 7 23 SER 8 24 LEU 9 25 SER 10 26 SER 11 27 ASN 12 28 LEU 13 29 LEU 14 30 SER 15 31 SER 16 32 GLY 17 33 ASP 18 34 PHE 19 35 VAL 20 36 GLN 21 37 MET 22 38 ILE 23 39 SER 24 40 SER 25 41 THR 26 42 THR 27 43 SER 28 44 THR 29 45 ASP 30 46 GLN 31 47 ALA 32 48 VAL 33 49 SER 34 50 VAL 35 51 ALA 36 52 THR 37 53 SER 38 54 VAL 39 55 ALA 40 56 GLN 41 57 ASN 42 58 VAL 43 59 GLY 44 60 ASN 45 61 GLN 46 62 LEU 47 63 GLY 48 64 LEU 49 65 ASP 50 66 ALA 51 67 ASN 52 68 ALA 53 69 MET 54 70 ASN 55 71 SER 56 72 LEU 57 73 LEU 58 74 GLY 59 75 ALA 60 76 VAL 61 77 SER 62 78 GLY 63 79 TYR 64 80 VAL 65 81 SER 66 82 THR 67 83 LEU 68 84 GLY 69 85 ASN 70 86 ALA 71 87 ILE 72 88 SER 73 89 ASP 74 90 ALA 75 91 SER 76 92 ALA 77 93 TYR 78 94 ALA 79 95 ASN 80 96 ALA 81 97 ILE 82 98 SER 83 99 SER 84 100 ALA 85 101 ILE 86 102 GLY 87 103 ASN 88 104 VAL 89 105 LEU 90 106 ALA 91 107 ASN 92 108 SER 93 109 GLY 94 110 SER 95 111 ILE 96 112 SER 97 113 GLU 98 114 SER 99 115 THR 100 116 ALA 101 117 SER 102 118 SER 103 119 ALA 104 120 ALA 105 121 SER 106 122 SER 107 123 ALA 108 124 ALA 109 125 SER 110 126 SER 111 127 VAL 112 128 THR 113 129 THR 114 130 THR 115 131 LEU 116 132 THR 117 133 SER 118 134 TYR 119 135 GLY 120 136 PRO 121 137 ALA 122 138 VAL 123 139 PHE 124 140 TYR 125 141 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2MQA "3d Structure Of Rp Domain Of Misp" 100.00 148 100.00 100.00 7.10e-74 GB ABC72645 "minor ampullate fibroin 1 [Nephila antipodiana]" 100.00 356 100.00 100.00 3.84e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli 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 'recombinant technology' . Escherichia coli . PET-M 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 _Isotopic_labeling $entity 0.6 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N 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' 0.3 . M pH 7 . pH pressure 1 . atm temperature 302 . 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 TMS C 13 'methyl carbon' ppm 0 external direct . . . 1 TMS H 1 'methyl protons' ppm 0 external direct . . . 1 TMS N 15 nitrogen ppm 0 external direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'RP domain of MiSp' _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 17 1 GLY H H 8.101 0.03 . 2 17 1 GLY HA2 H 3.439895 0.03 . 3 17 1 GLY HA3 H 3.692 0.03 . 4 17 1 GLY CA C 47.668 0.3 . 5 17 1 GLY N N 105.44 0.3 . 6 18 2 ASN H H 8.357 0.03 . 7 18 2 ASN HA H 4.538 0.03 . 8 18 2 ASN HB2 H 2.840338 0.03 . 9 18 2 ASN HB3 H 2.840338 0.03 . 10 18 2 ASN CA C 55.897 0.3 . 11 18 2 ASN CB C 38.400177 0.3 . 12 18 2 ASN N N 119.876 0.3 . 13 19 3 ALA H H 8.073 0.03 . 14 19 3 ALA HA H 4.175 0.03 . 15 19 3 ALA HB H 1.505189 0.03 . 16 19 3 ALA CA C 55.169 0.3 . 17 19 3 ALA CB C 18.405087 0.3 . 18 19 3 ALA N N 123.24 0.3 . 19 20 4 PHE H H 8.336 0.03 . 20 20 4 PHE HA H 3.838 0.03 . 21 20 4 PHE HB2 H 3.04187 0.03 . 22 20 4 PHE HB3 H 3.228287 0.03 . 23 20 4 PHE CA C 61.18 0.3 . 24 20 4 PHE CB C 39.876137 0.3 . 25 20 4 PHE N N 118.846269 0.3 . 26 21 5 ALA H H 8.695 0.03 . 27 21 5 ALA HA H 3.808 0.03 . 28 21 5 ALA HB H 1.525342 0.03 . 29 21 5 ALA CA C 55.446 0.3 . 30 21 5 ALA CB C 18.962053 0.3 . 31 21 5 ALA N N 121.797 0.3 . 32 22 6 GLN H H 8.308 0.03 . 33 22 6 GLN HA H 3.989 0.03 . 34 22 6 GLN HB2 H 2.079555 0.03 . 35 22 6 GLN HB3 H 2.079555 0.03 . 36 22 6 GLN HG2 H 2.447351 0.03 . 37 22 6 GLN HG3 H 2.447351 0.03 . 38 22 6 GLN CA C 58.893 0.3 . 39 22 6 GLN CB C 28.514025 0.3 . 40 22 6 GLN CG C 34.000143 0.3 . 41 22 6 GLN N N 117.102 0.3 . 42 23 7 SER H H 7.383 0.03 . 43 23 7 SER HA H 4.191 0.03 . 44 23 7 SER HB2 H 3.75227 0.03 . 45 23 7 SER HB3 H 3.75227 0.03 . 46 23 7 SER CA C 61.284 0.3 . 47 23 7 SER CB C 63.268721 0.3 . 48 23 7 SER N N 114.221 0.3 . 49 24 8 LEU H H 8.772 0.03 . 50 24 8 LEU HA H 3.707 0.03 . 51 24 8 LEU HB2 H 1.636185 0.03 . 52 24 8 LEU HB3 H 1.636185 0.03 . 53 24 8 LEU CA C 58.824 0.3 . 54 24 8 LEU CB C 40.767283 0.3 . 55 24 8 LEU N N 122.749 0.3 . 56 25 9 SER H H 8.253 0.03 . 57 25 9 SER HA H 3.858 0.03 . 58 25 9 SER CA C 62.722 0.3 . 59 25 9 SER CB C 62.711755 0.3 . 60 25 9 SER N N 113.278 0.3 . 61 26 10 SER H H 7.56 0.03 . 62 26 10 SER HA H 4.06 0.03 . 63 26 10 SER HB2 H 3.903418 0.03 . 64 26 10 SER HB3 H 3.903418 0.03 . 65 26 10 SER CA C 61.769 0.3 . 66 26 10 SER CB C 62.96239 0.3 . 67 26 10 SER N N 113.995 0.3 . 68 27 11 ASN H H 7.757 0.03 . 69 27 11 ASN HA H 4.367 0.03 . 70 27 11 ASN HB2 H 2.608576 0.03 . 71 27 11 ASN HB3 H 2.608576 0.03 . 72 27 11 ASN CA C 56.607 0.3 . 73 27 11 ASN CB C 39.653351 0.3 . 74 27 11 ASN N N 119.06 0.3 . 75 28 12 LEU H H 8.397 0.03 . 76 28 12 LEU HA H 3.667 0.03 . 77 28 12 LEU HG H 1.626108 0.03 . 78 28 12 LEU CA C 58.339 0.3 . 79 28 12 LEU CG C 25.645649 0.3 . 80 28 12 LEU N N 121.053 0.3 . 81 29 13 LEU H H 7.971 0.03 . 82 29 13 LEU HA H 4.075 0.03 . 83 29 13 LEU HB2 H 1.76718 0.03 . 84 29 13 LEU HB3 H 1.479998 0.03 . 85 29 13 LEU HG H 1.696644 0.03 . 86 29 13 LEU HD1 H 0.860287 0.03 . 87 29 13 LEU CA C 56.468 0.3 . 88 29 13 LEU CB C 41.459805 0.3 . 89 29 13 LEU CG C 27.233003 0.3 . 90 29 13 LEU CD1 C 25.367166 0.3 . 91 29 13 LEU N N 114.451 0.3 . 92 30 14 SER H H 7.306 0.03 . 93 30 14 SER HA H 4.402 0.03 . 94 30 14 SER HB2 H 3.999146 0.03 . 95 30 14 SER HB3 H 3.999146 0.03 . 96 30 14 SER CA C 59.413 0.3 . 97 30 14 SER CB C 63.937081 0.3 . 98 30 14 SER N N 112.755 0.3 . 99 31 15 SER H H 7.495 0.03 . 100 31 15 SER HA H 4.78 0.03 . 101 31 15 SER HB2 H 4.361904 0.03 . 102 31 15 SER HB3 H 3.953801 0.03 . 103 31 15 SER CA C 56.052 0.3 . 104 31 15 SER CB C 62.711755 0.3 . 105 31 15 SER N N 116.728 0.3 . 106 32 16 GLY HA2 H 3.954 0.03 . 107 32 16 GLY CA C 47.425 0.3 . 108 33 17 ASP H H 8.068 0.03 . 109 33 17 ASP HA H 4.417 0.03 . 110 33 17 ASP CA C 57.282 0.3 . 111 33 17 ASP N N 119.623 0.3 . 112 34 18 PHE H H 8.219 0.03 . 113 34 18 PHE HA H 4.362 0.03 . 114 34 18 PHE CA C 62.583 0.3 . 115 34 18 PHE N N 123.389 0.3 . 116 35 19 VAL H H 8.232 0.03 . 117 35 19 VAL HA H 3.299 0.03 . 118 35 19 VAL CA C 67.451 0.3 . 119 35 19 VAL N N 118.712 0.3 . 120 36 20 GLN H H 8.371 0.03 . 121 36 20 GLN HA H 3.984 0.03 . 122 36 20 GLN CA C 59.067 0.3 . 123 36 20 GLN N N 120.137 0.3 . 124 37 21 MET H H 7.682 0.03 . 125 37 21 MET HA H 3.999 0.03 . 126 37 21 MET CA C 59.188 0.3 . 127 37 21 MET N N 119.948 0.3 . 128 38 22 ILE H H 7.772 0.03 . 129 38 22 ILE HA H 3.641 0.03 . 130 38 22 ILE CA C 62.843 0.3 . 131 38 22 ILE N N 116.277 0.3 . 132 39 23 SER H H 8.037 0.03 . 133 39 23 SER HA H 4.619 0.03 . 134 39 23 SER CA C 60.747 0.3 . 135 39 23 SER N N 115.352 0.3 . 136 40 24 SER H H 7.374 0.03 . 137 40 24 SER HA H 4.548 0.03 . 138 40 24 SER CA C 58.599 0.3 . 139 40 24 SER N N 113.788 0.3 . 140 41 25 THR H H 7.457 0.03 . 141 41 25 THR HA H 4.16 0.03 . 142 41 25 THR CA C 63.398 0.3 . 143 41 25 THR N N 117.138 0.3 . 144 42 26 THR H H 8.624 0.03 . 145 42 26 THR CA C 61.735 0.3 . 146 42 26 THR N N 112.714 0.3 . 147 43 27 SER H H 7.564 0.03 . 148 43 27 SER HA H 4.871 0.03 . 149 43 27 SER CA C 56.867 0.3 . 150 43 27 SER N N 114.883 0.3 . 151 44 28 THR HA H 3.954 0.03 . 152 44 28 THR CA C 66.862 0.3 . 153 45 29 ASP H H 8.418 0.03 . 154 45 29 ASP HA H 4.357 0.03 . 155 45 29 ASP CA C 57.698 0.3 . 156 45 29 ASP N N 119.961 0.3 . 157 46 30 GLN H H 7.776 0.03 . 158 46 30 GLN HA H 4.145 0.03 . 159 46 30 GLN CA C 58.893 0.3 . 160 46 30 GLN N N 120.602 0.3 . 161 47 31 ALA H H 7.97 0.03 . 162 47 31 ALA HA H 4.191 0.03 . 163 47 31 ALA CA C 55.463 0.3 . 164 47 31 ALA N N 121.707 0.3 . 165 48 32 VAL H H 8.867 0.03 . 166 48 32 VAL HA H 3.646 0.03 . 167 48 32 VAL CA C 67.521 0.3 . 168 48 32 VAL N N 120.967 0.3 . 169 49 33 SER H H 8.203 0.03 . 170 49 33 SER HA H 4.317 0.03 . 171 49 33 SER CA C 62.861 0.3 . 172 49 33 SER N N 119.258 0.3 . 173 50 34 VAL H H 8.559 0.03 . 174 50 34 VAL HA H 3.924 0.03 . 175 50 34 VAL CA C 66.689 0.3 . 176 50 34 VAL N N 122.257 0.3 . 177 51 35 ALA H H 7.781 0.03 . 178 51 35 ALA HA H 3.964 0.03 . 179 51 35 ALA CA C 56.035 0.3 . 180 51 35 ALA N N 121.508 0.3 . 181 52 36 THR H H 8.768 0.03 . 182 52 36 THR HA H 3.868 0.03 . 183 52 36 THR CA C 66.689 0.3 . 184 52 36 THR N N 111.749 0.3 . 185 53 37 SER H H 8.274 0.03 . 186 53 37 SER HA H 4.379 0.03 . 187 53 37 SER CA C 62.687 0.3 . 188 53 37 SER N N 120.043 0.3 . 189 54 38 VAL H H 8.847 0.03 . 190 54 38 VAL HA H 3.652 0.03 . 191 54 38 VAL CA C 67.642 0.3 . 192 54 38 VAL N N 123.434 0.3 . 193 55 39 ALA H H 8.582 0.03 . 194 55 39 ALA HA H 3.858 0.03 . 195 55 39 ALA CA C 55.862 0.3 . 196 55 39 ALA N N 120.665 0.3 . 197 56 40 GLN H H 8.735 0.03 . 198 56 40 GLN HA H 4.044 0.03 . 199 56 40 GLN CA C 59.24 0.3 . 200 56 40 GLN N N 118.004 0.3 . 201 57 41 ASN H H 7.801 0.03 . 202 57 41 ASN HA H 4.407 0.03 . 203 57 41 ASN CA C 57.386 0.3 . 204 57 41 ASN N N 118.789 0.3 . 205 58 42 VAL H H 8.315 0.03 . 206 58 42 VAL HA H 3.646 0.03 . 207 58 42 VAL CA C 67.001 0.3 . 208 58 42 VAL N N 119.393 0.3 . 209 59 43 GLY H H 9.118 0.03 . 210 59 43 GLY HA2 H 3.742 0.03 . 211 59 43 GLY CA C 47.824 0.3 . 212 59 43 GLY N N 106.297 0.3 . 213 60 44 ASN H H 8.477 0.03 . 214 60 44 ASN HA H 4.715 0.03 . 215 60 44 ASN CA C 55.931 0.3 . 216 60 44 ASN N N 119.831 0.3 . 217 61 45 GLN H H 8.023 0.03 . 218 61 45 GLN HA H 4.11 0.03 . 219 61 45 GLN CA C 58.72 0.3 . 220 61 45 GLN N N 121.995 0.3 . 221 62 46 LEU H H 7.73 0.03 . 222 62 46 LEU HA H 4.327 0.03 . 223 62 46 LEU CA C 54.909 0.3 . 224 62 46 LEU N N 116.092 0.3 . 225 63 47 GLY H H 7.671 0.03 . 226 63 47 GLY HA2 H 3.903 0.03 . 227 63 47 GLY CA C 46.75 0.3 . 228 63 47 GLY N N 108.687 0.3 . 229 64 48 LEU H H 7.618 0.03 . 230 64 48 LEU HA H 4.115 0.03 . 231 64 48 LEU CA C 55.758 0.3 . 232 64 48 LEU N N 118.739 0.3 . 233 65 49 ASP H H 8.279 0.03 . 234 65 49 ASP HA H 4.513 0.03 . 235 65 49 ASP CA C 52.692 0.3 . 236 65 49 ASP N N 120.706 0.3 . 237 66 50 ALA H H 8.355 0.03 . 238 66 50 ALA HA H 3.974 0.03 . 239 66 50 ALA CA C 55.838 0.3 . 240 66 50 ALA N N 120.038 0.3 . 241 67 51 ASN H H 8.188 0.03 . 242 67 51 ASN HA H 4.483 0.03 . 243 67 51 ASN CA C 56.33 0.3 . 244 67 51 ASN N N 116.511 0.3 . 245 68 52 ALA H H 8.446 0.03 . 246 68 52 ALA HA H 4.135 0.03 . 247 68 52 ALA CA C 55.117 0.3 . 248 68 52 ALA N N 125.491 0.3 . 249 69 53 MET H H 8.894 0.03 . 250 69 53 MET HA H 4.236 0.03 . 251 69 53 MET CA C 57.196 0.3 . 252 69 53 MET N N 118.261 0.3 . 253 70 54 ASN H H 8.069 0.03 . 254 70 54 ASN HA H 4.453 0.03 . 255 70 54 ASN CA C 56.849 0.3 . 256 70 54 ASN N N 118.045 0.3 . 257 71 55 SER H H 7.94 0.03 . 258 71 55 SER HA H 4.256 0.03 . 259 71 55 SER CA C 61.856 0.3 . 260 71 55 SER N N 116.624 0.3 . 261 72 56 LEU H H 8.419 0.03 . 262 72 56 LEU HA H 4.029 0.03 . 263 72 56 LEU CA C 58.686 0.3 . 264 72 56 LEU N N 123.984 0.3 . 265 73 57 LEU H H 8.607 0.03 . 266 73 57 LEU HA H 3.863 0.03 . 267 73 57 LEU CA C 58.842 0.3 . 268 73 57 LEU N N 118.072 0.3 . 269 74 58 GLY H H 8.022 0.03 . 270 74 58 GLY HA2 H 3.934 0.03 . 271 74 58 GLY CA C 47.166 0.3 . 272 74 58 GLY N N 106.558 0.3 . 273 75 59 ALA H H 7.984 0.03 . 274 75 59 ALA HA H 7.838 0.03 . 275 75 59 ALA CA C 54.926 0.3 . 276 75 59 ALA N N 124.841 0.3 . 277 76 60 VAL H H 8.281 0.03 . 278 76 60 VAL HA H 3.541 0.03 . 279 76 60 VAL CA C 66.914 0.3 . 280 76 60 VAL N N 115.849 0.3 . 281 77 61 SER H H 8.109 0.03 . 282 77 61 SER HA H 3.987 0.03 . 283 77 61 SER CA C 62.375 0.3 . 284 77 61 SER N N 114.446 0.3 . 285 78 62 GLY H H 8.049 0.03 . 286 78 62 GLY HA3 H 3.984 0.03 . 287 78 62 GLY CA C 47.287 0.3 . 288 78 62 GLY N N 108.953 0.3 . 289 79 63 TYR H H 8.181 0.03 . 290 79 63 TYR HA H 4.367 0.03 . 291 79 63 TYR CA C 60.764 0.3 . 292 79 63 TYR N N 121.328 0.3 . 293 80 64 VAL H H 8.29 0.03 . 294 80 64 VAL HA H 3.621 0.03 . 295 80 64 VAL CA C 66.169 0.3 . 296 80 64 VAL N N 117.377 0.3 . 297 81 65 SER H H 8.001 0.03 . 298 81 65 SER HA H 4.095 0.03 . 299 81 65 SER CA C 61.925 0.3 . 300 81 65 SER N N 113.503 0.3 . 301 82 66 THR H H 7.36 0.03 . 302 82 66 THR HA H 4.402 0.03 . 303 82 66 THR CA C 62.67 0.3 . 304 82 66 THR N N 110.964 0.3 . 305 83 67 LEU H H 7.391 0.03 . 306 83 67 LEU HA H 4.085 0.03 . 307 83 67 LEU CA C 56.607 0.3 . 308 83 67 LEU N N 121.053 0.3 . 309 84 68 GLY H H 8.244 0.03 . 310 84 68 GLY HA3 H 3.939 0.03 . 311 84 68 GLY CA C 46.559 0.3 . 312 84 68 GLY N N 108.809 0.3 . 313 85 69 ASN HA H 4.558 0.03 . 314 85 69 ASN CA C 54.753 0.3 . 315 86 70 ALA H H 7.927 0.03 . 316 86 70 ALA HA H 4.412 0.03 . 317 86 70 ALA CA C 52.986 0.3 . 318 86 70 ALA N N 121.797 0.3 . 319 87 71 ILE H H 7.327 0.03 . 320 87 71 ILE HA H 3.954 0.03 . 321 87 71 ILE CA C 63.935 0.3 . 322 87 71 ILE N N 114.509 0.3 . 323 88 72 SER HA H 4.518 0.03 . 324 88 72 SER CA C 57.542 0.3 . 325 89 73 ASP H H 7.615 0.03 . 326 89 73 ASP HA H 4.75 0.03 . 327 89 73 ASP CA C 52.865 0.3 . 328 89 73 ASP N N 123.389 0.3 . 329 90 74 ALA H H 8.798 0.03 . 330 90 74 ALA HA H 4.009 0.03 . 331 90 74 ALA CA C 56.312 0.3 . 332 90 74 ALA N N 127.38 0.3 . 333 91 75 SER H H 8.22 0.03 . 334 91 75 SER HA H 4.306 0.03 . 335 91 75 SER CA C 62.029 0.3 . 336 91 75 SER N N 111.605 0.3 . 337 92 76 ALA H H 8.148 0.03 . 338 92 76 ALA HA H 4.16 0.03 . 339 92 76 ALA CA C 55.238 0.3 . 340 92 76 ALA N N 126.144 0.3 . 341 93 77 TYR H H 8.948 0.03 . 342 93 77 TYR HA H 4.09 0.03 . 343 93 77 TYR CA C 61.994 0.3 . 344 93 77 TYR N N 120.16 0.3 . 345 94 78 ALA H H 9.095 0.03 . 346 94 78 ALA HA H 3.999 0.03 . 347 94 78 ALA CA C 55.81 0.3 . 348 94 78 ALA N N 120.178 0.3 . 349 95 79 ASN H H 8.573 0.03 . 350 95 79 ASN HA H 0.896 0.03 . 351 95 79 ASN CA C 56.919 0.3 . 352 95 79 ASN N N 117.684 0.3 . 353 96 80 ALA H H 8.151 0.03 . 354 96 80 ALA HA H 4.241 0.03 . 355 96 80 ALA CA C 55.723 0.3 . 356 96 80 ALA N N 124.39 0.3 . 357 97 81 ILE H H 8.201 0.03 . 358 97 81 ILE HA H 3.667 0.03 . 359 97 81 ILE CA C 65.702 0.3 . 360 97 81 ILE N N 113.323 0.3 . 361 98 82 SER H H 8.044 0.03 . 362 98 82 SER HA H 4.09 0.03 . 363 98 82 SER CA C 63.502 0.3 . 364 98 82 SER N N 116.304 0.3 . 365 99 83 SER H H 8.3 0.03 . 366 99 83 SER HA H 4.17 0.03 . 367 99 83 SER CA C 61.942 0.3 . 368 99 83 SER N N 118.306 0.3 . 369 100 84 ALA H H 7.558 0.03 . 370 100 84 ALA HA H 3.697 0.03 . 371 100 84 ALA CA C 55.256 0.3 . 372 100 84 ALA N N 123.862 0.3 . 373 101 85 ILE H H 7.946 0.03 . 374 101 85 ILE HA H 1.037 0.03 . 375 101 85 ILE CA C 65.355 0.3 . 376 101 85 ILE N N 114.653 0.3 . 377 102 86 GLY H H 8.759 0.03 . 378 102 86 GLY HA2 H 3.888 0.03 . 379 102 86 GLY CA C 48.465 0.3 . 380 102 86 GLY N N 105.521 0.3 . 381 103 87 ASN H H 8.057 0.03 . 382 103 87 ASN HA H 4.453 0.03 . 383 103 87 ASN CA C 56.849 0.3 . 384 103 87 ASN N N 117.973 0.3 . 385 104 88 VAL H H 7.456 0.03 . 386 104 88 VAL HA H 3.717 0.03 . 387 104 88 VAL CA C 66.481 0.3 . 388 104 88 VAL N N 119.605 0.3 . 389 105 89 LEU H H 8.264 0.03 . 390 105 89 LEU HA H 3.893 0.03 . 391 105 89 LEU CA C 57.369 0.3 . 392 105 89 LEU N N 119.032 0.3 . 393 106 90 ALA H H 8.273 0.03 . 394 106 90 ALA HA H 3.964 0.03 . 395 106 90 ALA CA C 55.134 0.3 . 396 106 90 ALA N N 120.958 0.3 . 397 107 91 ASN H H 8.145 0.03 . 398 107 91 ASN HA H 4.548 0.03 . 399 107 91 ASN CA C 55.741 0.3 . 400 107 91 ASN N N 117.594 0.3 . 401 108 92 SER H H 7.874 0.03 . 402 108 92 SER CA C 59.153 0.3 . 403 108 92 SER N N 112.078 0.3 . 404 109 93 GLY H H 7.801 0.03 . 405 109 93 GLY HA3 H 3.903 0.03 . 406 109 93 GLY CA C 45.901 0.3 . 407 109 93 GLY N N 109.512 0.3 . 408 110 94 SER H H 7.966 0.03 . 409 110 94 SER HA H 4.312 0.03 . 410 110 94 SER CA C 55.238 0.3 . 411 110 94 SER N N 121.337 0.3 . 412 111 95 ILE H H 7.98 0.03 . 413 111 95 ILE HA H 4.332 0.03 . 414 111 95 ILE CA C 59.933 0.3 . 415 111 95 ILE N N 122.104 0.3 . 416 118 102 SER HA H 4.344 0.03 . 417 118 102 SER CA C 61.128 0.3 . 418 119 103 ALA H H 8.631 0.03 . 419 119 103 ALA HA H 4.344 0.03 . 420 119 103 ALA CA C 61.128 0.3 . 421 119 103 ALA N N 126.054 0.3 . 422 120 104 ALA H H 8.066 0.03 . 423 120 104 ALA HA H 3.601 0.03 . 424 120 104 ALA CA C 55.082 0.3 . 425 120 104 ALA N N 120.246 0.3 . 426 121 105 SER H H 8.027 0.03 . 427 121 105 SER HA H 4.017 0.03 . 428 121 105 SER CA C 61.804 0.3 . 429 121 105 SER N N 114.563 0.3 . 430 122 106 SER H H 8.074 0.03 . 431 122 106 SER HA H 4.261 0.03 . 432 122 106 SER CA C 61.544 0.3 . 433 122 106 SER N N 117.873 0.3 . 434 123 107 ALA H H 8.397 0.03 . 435 123 107 ALA HA H 4.135 0.03 . 436 123 107 ALA CA C 55.013 0.3 . 437 123 107 ALA N N 124.214 0.3 . 438 124 108 ALA H H 8.486 0.03 . 439 124 108 ALA HA H 3.762 0.03 . 440 124 108 ALA CA C 55.394 0.3 . 441 124 108 ALA N N 119.452 0.3 . 442 125 109 SER H H 7.956 0.03 . 443 125 109 SER HA H 4.312 0.03 . 444 125 109 SER CA C 61.163 0.3 . 445 125 109 SER N N 112.484 0.3 . 446 126 110 SER H H 7.775 0.03 . 447 126 110 SER HA H 4.322 0.03 . 448 126 110 SER CA C 61.596 0.3 . 449 126 110 SER N N 117.341 0.3 . 450 127 111 VAL H H 7.809 0.03 . 451 127 111 VAL HA H 3.823 0.03 . 452 127 111 VAL CA C 66.758 0.3 . 453 127 111 VAL N N 121.644 0.3 . 454 128 112 THR HA H 4.044 0.03 . 455 128 112 THR CA C 66.18 0.3 . 456 129 113 THR H H 8.628 0.03 . 457 129 113 THR HA H 4.211 0.03 . 458 129 113 THR CA C 66.395 0.3 . 459 129 113 THR N N 119.461 0.3 . 460 130 114 THR H H 7.876 0.03 . 461 130 114 THR HA H 4.189 0.03 . 462 130 114 THR CA C 66.412 0.3 . 463 130 114 THR N N 120.21 0.3 . 464 131 115 LEU H H 8.246 0.03 . 465 131 115 LEU HA H 4.115 0.03 . 466 131 115 LEU CA C 58.114 0.3 . 467 131 115 LEU N N 122.117 0.3 . 468 132 116 THR H H 8.412 0.03 . 469 132 116 THR HA H 4.055 0.03 . 470 132 116 THR CA C 65.632 0.3 . 471 132 116 THR N N 114.487 0.3 . 472 133 117 SER H H 8.029 0.03 . 473 133 117 SER HA H 4.201 0.03 . 474 133 117 SER CA C 61.405 0.3 . 475 133 117 SER N N 116.169 0.3 . 476 134 118 TYR H H 8.169 0.03 . 477 134 118 TYR HA H 4.745 0.03 . 478 134 118 TYR CA C 58.686 0.3 . 479 134 118 TYR N N 117.562 0.3 . 480 135 119 GLY H H 7.979 0.03 . 481 135 119 GLY HA2 H 4.412 0.03 . 482 135 119 GLY CA C 45.208 0.3 . 483 135 119 GLY N N 109.639 0.3 . 484 136 120 PRO HA H 4.276 0.03 . 485 136 120 PRO CA C 64.437 0.3 . 486 137 121 ALA H H 8.221 0.03 . 487 137 121 ALA HA H 3.944 0.03 . 488 137 121 ALA CA C 54.511 0.3 . 489 137 121 ALA N N 120.155 0.3 . 490 138 122 VAL H H 7.217 0.03 . 491 138 122 VAL HA H 3.949 0.03 . 492 138 122 VAL CA C 63.346 0.3 . 493 138 122 VAL N N 112.949 0.3 . 494 139 123 PHE H H 7.882 0.03 . 495 139 123 PHE HA H 4.589 0.03 . 496 139 123 PHE CA C 58.564 0.3 . 497 139 123 PHE N N 119.556 0.3 . 498 140 124 TYR H H 7.482 0.03 . 499 140 124 TYR HA H 4.609 0.03 . 500 140 124 TYR CA C 57.075 0.3 . 501 140 124 TYR N N 117.441 0.3 . 502 141 125 ALA H H 7.804 0.03 . 503 141 125 ALA HA H 7.773 0.03 . 504 141 125 ALA CA C 50.457 0.3 . 505 141 125 ALA N N 124.972 0.3 . stop_ save_