data_15626 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone assignment of yeast (Saccharomyces cerevisiae) ARF1 ,non-myristoylated, GDP-bound ; _BMRB_accession_number 15626 _BMRB_flat_file_name bmr15626.str _Entry_type original _Submission_date 2008-01-15 _Accession_date 2008-01-15 _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 Liu Yizhou . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 155 "13C chemical shifts" 299 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-07 update BMRB 'complete entry citation' 2008-06-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Direct measurement of dipole-dipole/CSA cross-correlated relaxation by a constant-time experiment' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18406649 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Yizhou . . 2 Prestegard James . . stop_ _Journal_abbreviation 'J. Magn. Reson.' _Journal_volume 193 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23 _Page_last 31 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'yeast ARF1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'yeast ARF1' $yeast_ARF1 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_yeast_ARF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yeast_ARF1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; GLFASKLFSNLFGNKEMRIL MVGLDGAGKTTVLYKLKLGE VITTIPTIGFNVETVQYKNI SFTVWDVGGQDRIRSLWRHY YRNTEGVIFVVDSNDRSRIG EAREVMQRMLNEDELRNAAW LVFANKQDLPEAMSAAEITE KLGLHSIRNRPWFIQATCAT SGEGLYEGLEWLSNSLKNST LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 LEU 3 4 PHE 4 5 ALA 5 6 SER 6 7 LYS 7 8 LEU 8 9 PHE 9 10 SER 10 11 ASN 11 12 LEU 12 13 PHE 13 14 GLY 14 15 ASN 15 16 LYS 16 17 GLU 17 18 MET 18 19 ARG 19 20 ILE 20 21 LEU 21 22 MET 22 23 VAL 23 24 GLY 24 25 LEU 25 26 ASP 26 27 GLY 27 28 ALA 28 29 GLY 29 30 LYS 30 31 THR 31 32 THR 32 33 VAL 33 34 LEU 34 35 TYR 35 36 LYS 36 37 LEU 37 38 LYS 38 39 LEU 39 40 GLY 40 41 GLU 41 42 VAL 42 43 ILE 43 44 THR 44 45 THR 45 46 ILE 46 47 PRO 47 48 THR 48 49 ILE 49 50 GLY 50 51 PHE 51 52 ASN 52 53 VAL 53 54 GLU 54 55 THR 55 56 VAL 56 57 GLN 57 58 TYR 58 59 LYS 59 60 ASN 60 61 ILE 61 62 SER 62 63 PHE 63 64 THR 64 65 VAL 65 66 TRP 66 67 ASP 67 68 VAL 68 69 GLY 69 70 GLY 70 71 GLN 71 72 ASP 72 73 ARG 73 74 ILE 74 75 ARG 75 76 SER 76 77 LEU 77 78 TRP 78 79 ARG 79 80 HIS 80 81 TYR 81 82 TYR 82 83 ARG 83 84 ASN 84 85 THR 85 86 GLU 86 87 GLY 87 88 VAL 88 89 ILE 89 90 PHE 90 91 VAL 91 92 VAL 92 93 ASP 93 94 SER 94 95 ASN 95 96 ASP 96 97 ARG 97 98 SER 98 99 ARG 99 100 ILE 100 101 GLY 101 102 GLU 102 103 ALA 103 104 ARG 104 105 GLU 105 106 VAL 106 107 MET 107 108 GLN 108 109 ARG 109 110 MET 110 111 LEU 111 112 ASN 112 113 GLU 113 114 ASP 114 115 GLU 115 116 LEU 116 117 ARG 117 118 ASN 118 119 ALA 119 120 ALA 120 121 TRP 121 122 LEU 122 123 VAL 123 124 PHE 124 125 ALA 125 126 ASN 126 127 LYS 127 128 GLN 128 129 ASP 129 130 LEU 130 131 PRO 131 132 GLU 132 133 ALA 133 134 MET 134 135 SER 135 136 ALA 136 137 ALA 137 138 GLU 138 139 ILE 139 140 THR 140 141 GLU 141 142 LYS 142 143 LEU 143 144 GLY 144 145 LEU 145 146 HIS 146 147 SER 147 148 ILE 148 149 ARG 149 150 ASN 150 151 ARG 151 152 PRO 152 153 TRP 153 154 PHE 154 155 ILE 155 156 GLN 156 157 ALA 157 158 THR 158 159 CYS 159 160 ALA 160 161 THR 161 162 SER 162 163 GLY 163 164 GLU 164 165 GLY 165 166 LEU 166 167 TYR 167 168 GLU 168 169 GLY 169 170 LEU 170 171 GLU 171 172 TRP 172 173 LEU 173 174 SER 174 175 ASN 175 176 SER 176 177 LEU 177 178 LYS 178 179 ASN 179 180 SER 180 181 THR 181 182 LEU 182 183 GLU 183 184 HIS 184 185 HIS 185 186 HIS 186 187 HIS 187 188 HIS 188 189 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 15809 myr-yARF1.GDP 96.28 184 100.00 100.00 6.21e-129 PDB 2K5U "Solution Structure Of Myirstoylated Yeast Arf1 Protein, Gdp- Bound" 95.74 181 100.00 100.00 1.39e-128 PDB 2KSQ "The Myristoylated Yeast Arf1 In A Gtp And Bicelle Bound Conformation" 95.74 181 97.22 97.22 3.42e-124 PDB 3TJZ "Crystal Structure Of Arf1 Bound To The GammaZETA-Cop Core Complex" 87.23 164 100.00 100.00 3.27e-116 PDB 4Q66 "Structure Of Exomer Bound To Arf1" 89.89 175 97.04 97.04 3.60e-115 PDB 5A1U "The Structure Of The Copi Coat Triad" 95.74 181 100.00 100.00 1.07e-128 PDB 5A1V "The Structure Of The Copi Coat Linkage I" 95.74 181 100.00 100.00 1.07e-128 PDB 5A1W "The Structure Of The Copi Coat Linkage Ii" 95.74 181 100.00 100.00 1.07e-128 PDB 5A1X "The Structure Of The Copi Coat Linkage Iii" 95.74 181 100.00 100.00 1.07e-128 PDB 5A1Y "The Structure Of The Copi Coat Linkage Iv" 95.74 181 100.00 100.00 1.07e-128 DBJ GAA22060 "K7_Arf1p [Saccharomyces cerevisiae Kyokai no. 7]" 95.74 181 100.00 100.00 1.07e-128 EMBL CAA58255 "ADP-ribosylationfactor 2 [Saccharomyces cerevisiae]" 95.74 181 100.00 100.00 1.07e-128 EMBL CAA98769 "ARF1 [Saccharomyces cerevisiae]" 95.74 181 100.00 100.00 1.07e-128 EMBL CAG60356 "unnamed protein product [Candida glabrata]" 94.68 181 97.75 98.88 1.83e-124 EMBL CAY78316 "Arf1p [Saccharomyces cerevisiae EC1118]" 95.74 181 100.00 100.00 1.07e-128 EMBL CCC67945 "hypothetical protein NCAS_0A13870 [Naumovozyma castellii CBS 4309]" 95.74 181 97.22 98.89 9.68e-126 GB AAA34431 "ADP-ribosylation factor [Saccharomyces cerevisiae]" 95.74 181 100.00 100.00 1.07e-128 GB AHY74824 "Arf1p [Saccharomyces cerevisiae YJM993]" 95.74 181 100.00 100.00 1.07e-128 GB AJP37565 "Arf1p [Saccharomyces cerevisiae YJM1078]" 95.74 181 100.00 100.00 1.07e-128 GB AJU57677 "Arf1p [Saccharomyces cerevisiae YJM189]" 95.74 181 100.00 100.00 1.07e-128 GB AJU58380 "Arf1p [Saccharomyces cerevisiae YJM193]" 95.74 181 100.00 100.00 1.07e-128 REF NP_010089 "Arf family GTPase ARF1 [Saccharomyces cerevisiae S288c]" 95.74 181 100.00 100.00 1.07e-128 REF XP_001646910 "hypothetical protein Kpol_2000p16 [Vanderwaltozyma polyspora DSM 70294]" 95.74 181 97.22 98.89 9.68e-126 REF XP_003667691 "hypothetical protein NDAI_0A02910 [Naumovozyma dairenensis CBS 421]" 95.74 181 97.22 98.89 1.05e-125 REF XP_003674325 "hypothetical protein NCAS_0A13870 [Naumovozyma castellii CBS 4309]" 95.74 181 97.22 98.89 9.68e-126 REF XP_003676799 "hypothetical protein NCAS_0E03720 [Naumovozyma castellii CBS 4309]" 95.74 181 97.78 98.89 3.35e-126 SP P11076 "RecName: Full=ADP-ribosylation factor 1" 95.74 181 100.00 100.00 1.07e-128 TPG DAA11671 "TPA: Arf family GTPase ARF1 [Saccharomyces cerevisiae S288c]" 95.74 181 100.00 100.00 1.07e-128 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yeast_ARF1 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $yeast_ARF1 'recombinant technology' . Escherichia coli . pET3C 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 $yeast_ARF1 0.5 mM '[U-98% 13C; U-98% 15N]' H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 0.1 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' 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 'yeast ARF1' _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 1 GLY CA C 44.965 . 1 2 3 2 LEU H H 8.049 . 1 3 3 2 LEU CA C 55.283 . 1 4 3 2 LEU CB C 42.466 . 1 5 3 2 LEU N N 121.691 . 1 6 5 4 ALA CA C 53.387 . 1 7 5 4 ALA CB C 18.779 . 1 8 6 5 SER H H 8.157 . 1 9 6 5 SER N N 113.890 . 1 10 11 10 ASN CA C 54.220 . 1 11 11 10 ASN CB C 38.040 . 1 12 12 11 LEU H H 7.761 . 1 13 12 11 LEU CA C 55.725 . 1 14 12 11 LEU CB C 42.612 . 1 15 12 11 LEU N N 120.579 . 1 16 13 12 PHE H H 8.317 . 1 17 13 12 PHE CA C 58.688 . 1 18 13 12 PHE CB C 39.225 . 1 19 13 12 PHE N N 120.543 . 1 20 14 13 GLY H H 8.057 . 1 21 14 13 GLY CA C 46.101 . 1 22 14 13 GLY N N 108.436 . 1 23 15 14 ASN CA C 53.428 . 1 24 15 14 ASN CB C 39.039 . 1 25 16 15 LYS H H 7.934 . 1 26 16 15 LYS CA C 56.245 . 1 27 16 15 LYS CB C 33.614 . 1 28 16 15 LYS N N 120.907 . 1 29 17 16 GLU H H 8.552 . 1 30 17 16 GLU CA C 56.685 . 1 31 17 16 GLU CB C 29.939 . 1 32 17 16 GLU N N 124.516 . 1 33 18 17 MET H H 8.245 . 1 34 18 17 MET N N 122.932 . 1 35 19 18 ARG CA C 55.180 . 1 36 19 18 ARG CB C 31.945 . 1 37 20 19 ILE H H 8.569 . 1 38 20 19 ILE CA C 58.942 . 1 39 20 19 ILE N N 125.227 . 1 40 21 20 LEU H H 8.195 . 1 41 21 20 LEU CA C 52.737 . 1 42 21 20 LEU N N 128.882 . 1 43 22 21 MET H H 9.079 . 1 44 22 21 MET CB C 36.220 . 1 45 22 21 MET N N 126.312 . 1 46 23 22 VAL H H 8.440 . 1 47 23 22 VAL CA C 57.907 . 1 48 23 22 VAL CB C 37.079 . 1 49 23 22 VAL N N 115.296 . 1 50 24 23 GLY H H 6.425 . 1 51 24 23 GLY CA C 43.303 . 1 52 24 23 GLY N N 102.970 . 1 53 25 24 LEU H H 10.131 . 1 54 25 24 LEU CA C 55.871 . 1 55 25 24 LEU CB C 40.971 . 1 56 25 24 LEU N N 124.690 . 1 57 26 25 ASP H H 8.973 . 1 58 26 25 ASP CA C 55.556 . 1 59 26 25 ASP CB C 40.236 . 1 60 26 25 ASP N N 120.245 . 1 61 27 26 GLY H H 11.076 . 1 62 27 26 GLY CA C 45.299 . 1 63 27 26 GLY N N 115.129 . 1 64 28 27 ALA H H 7.441 . 1 65 28 27 ALA CA C 55.511 . 1 66 28 27 ALA CB C 20.218 . 1 67 28 27 ALA N N 123.198 . 1 68 29 28 GLY H H 8.723 . 1 69 29 28 GLY CA C 45.710 . 1 70 29 28 GLY N N 103.120 . 1 71 30 29 LYS H H 9.853 . 1 72 30 29 LYS CA C 59.885 . 1 73 30 29 LYS CB C 29.927 . 1 74 30 29 LYS N N 123.177 . 1 75 31 30 THR H H 9.053 . 1 76 31 30 THR N N 122.295 . 1 77 32 31 THR H H 8.788 . 1 78 32 31 THR CA C 68.410 . 1 79 32 31 THR N N 119.239 . 1 80 33 32 VAL H H 8.123 . 1 81 33 32 VAL CA C 67.731 . 1 82 33 32 VAL N N 121.573 . 1 83 34 33 LEU H H 7.913 . 1 84 34 33 LEU CA C 58.131 . 1 85 34 33 LEU N N 117.152 . 1 86 35 34 TYR CA C 62.005 . 1 87 36 35 LYS H H 8.159 . 1 88 36 35 LYS CA C 56.502 . 1 89 36 35 LYS CB C 31.696 . 1 90 36 35 LYS N N 121.848 . 1 91 37 36 LEU H H 7.539 . 1 92 37 36 LEU CA C 56.558 . 1 93 37 36 LEU CB C 41.569 . 1 94 37 36 LEU N N 115.258 . 1 95 38 37 LYS H H 7.261 . 1 96 38 37 LYS CA C 56.977 . 1 97 38 37 LYS CB C 30.118 . 1 98 38 37 LYS N N 111.742 . 1 99 39 38 LEU H H 8.083 . 1 100 39 38 LEU CA C 55.284 . 1 101 39 38 LEU CB C 42.883 . 1 102 39 38 LEU N N 117.721 . 1 103 40 39 GLY H H 7.140 . 1 104 40 39 GLY CA C 44.523 . 1 105 40 39 GLY N N 103.793 . 1 106 41 40 GLU H H 8.437 . 1 107 41 40 GLU CA C 56.257 . 1 108 41 40 GLU CB C 30.269 . 1 109 41 40 GLU N N 121.031 . 1 110 42 41 VAL H H 8.242 . 1 111 42 41 VAL CA C 62.357 . 1 112 42 41 VAL CB C 31.603 . 1 113 42 41 VAL N N 124.656 . 1 114 43 42 ILE H H 9.064 . 1 115 43 42 ILE CA C 59.558 . 1 116 43 42 ILE CB C 38.643 . 1 117 43 42 ILE N N 132.085 . 1 118 44 43 THR H H 8.860 . 1 119 44 43 THR CA C 62.270 . 1 120 44 43 THR CB C 69.877 . 1 121 44 43 THR N N 125.271 . 1 122 45 44 THR H H 9.328 . 1 123 45 44 THR CA C 60.454 . 1 124 45 44 THR N N 121.388 . 1 125 46 45 ILE H H 8.395 . 1 126 46 45 ILE N N 122.118 . 1 127 47 46 PRO CA C 64.775 . 1 128 47 46 PRO CB C 32.810 . 1 129 48 47 THR H H 7.384 . 1 130 48 47 THR CA C 60.288 . 1 131 48 47 THR CB C 69.990 . 1 132 48 47 THR N N 108.674 . 1 133 49 48 ILE H H 7.919 . 1 134 49 48 ILE CA C 63.553 . 1 135 49 48 ILE CB C 37.556 . 1 136 49 48 ILE N N 123.955 . 1 137 50 49 GLY H H 8.827 . 1 138 50 49 GLY CA C 44.986 . 1 139 50 49 GLY N N 114.432 . 1 140 51 50 PHE H H 8.247 . 1 141 51 50 PHE N N 123.381 . 1 142 52 51 ASN H H 7.818 . 1 143 52 51 ASN CA C 52.498 . 1 144 52 51 ASN CB C 40.187 . 1 145 52 51 ASN N N 121.989 . 1 146 53 52 VAL H H 8.847 . 1 147 53 52 VAL CA C 61.492 . 1 148 53 52 VAL CB C 34.282 . 1 149 53 52 VAL N N 124.277 . 1 150 54 53 GLU H H 8.782 . 1 151 54 53 GLU CA C 54.288 . 1 152 54 53 GLU CB C 32.820 . 1 153 54 53 GLU N N 126.293 . 1 154 55 54 THR H H 8.969 . 1 155 55 54 THR CA C 59.680 . 1 156 55 54 THR CB C 72.551 . 1 157 55 54 THR N N 114.203 . 1 158 56 55 VAL CA C 61.394 . 1 159 56 55 VAL CB C 36.449 . 1 160 57 56 GLN H H 8.751 . 1 161 57 56 GLN CA C 54.235 . 1 162 57 56 GLN CB C 30.460 . 1 163 57 56 GLN N N 127.610 . 1 164 58 57 TYR H H 9.128 . 1 165 58 57 TYR N N 128.472 . 1 166 59 58 LYS CA C 58.812 . 1 167 60 59 ASN H H 8.750 . 1 168 60 59 ASN CA C 53.728 . 1 169 60 59 ASN CB C 37.692 . 1 170 60 59 ASN N N 120.377 . 1 171 61 60 ILE H H 8.872 . 1 172 61 60 ILE CA C 59.838 . 1 173 61 60 ILE CB C 38.745 . 1 174 61 60 ILE N N 123.385 . 1 175 62 61 SER H H 8.267 . 1 176 62 61 SER CA C 56.604 . 1 177 62 61 SER CB C 65.359 . 1 178 62 61 SER N N 119.644 . 1 179 63 62 PHE H H 9.144 . 1 180 63 62 PHE CA C 57.310 . 1 181 63 62 PHE CB C 42.107 . 1 182 63 62 PHE N N 124.080 . 1 183 64 63 THR H H 8.398 . 1 184 64 63 THR CA C 63.068 . 1 185 64 63 THR CB C 70.896 . 1 186 64 63 THR N N 120.064 . 1 187 65 64 VAL H H 9.471 . 1 188 65 64 VAL CA C 60.337 . 1 189 65 64 VAL CB C 35.091 . 1 190 65 64 VAL N N 127.160 . 1 191 66 65 TRP CA C 56.919 . 1 192 67 66 ASP H H 8.905 . 1 193 67 66 ASP CA C 53.373 . 1 194 67 66 ASP CB C 41.665 . 1 195 67 66 ASP N N 117.556 . 1 196 68 67 VAL H H 7.905 . 1 197 68 67 VAL CA C 60.449 . 1 198 68 67 VAL CB C 33.000 . 1 199 68 67 VAL N N 116.263 . 1 200 69 68 GLY H H 8.399 . 1 201 69 68 GLY CA C 44.814 . 1 202 69 68 GLY N N 109.012 . 1 203 70 69 GLY H H 9.274 . 1 204 70 69 GLY CA C 45.913 . 1 205 70 69 GLY N N 109.018 . 1 206 71 70 GLN H H 8.543 . 1 207 71 70 GLN CA C 56.179 . 1 208 71 70 GLN CB C 28.837 . 1 209 71 70 GLN N N 118.556 . 1 210 72 71 ASP H H 8.284 . 1 211 72 71 ASP CB C 41.000 . 1 212 72 71 ASP N N 121.305 . 1 213 73 72 ARG CA C 56.763 . 1 214 73 72 ARG CB C 30.147 . 1 215 74 73 ILE H H 7.587 . 1 216 74 73 ILE CA C 61.453 . 1 217 74 73 ILE N N 118.405 . 1 218 77 76 LEU CA C 56.558 . 1 219 77 76 LEU CB C 41.662 . 1 220 78 77 TRP H H 7.142 . 1 221 78 77 TRP CA C 57.799 . 1 222 78 77 TRP N N 116.910 . 1 223 79 78 ARG H H 7.304 . 1 224 79 78 ARG N N 115.084 . 1 225 82 81 TYR H H 9.182 . 1 226 82 81 TYR CA C 56.731 . 1 227 82 81 TYR CB C 40.727 . 1 228 82 81 TYR N N 124.789 . 1 229 83 82 ARG H H 8.823 . 1 230 83 82 ARG CA C 58.561 . 1 231 83 82 ARG CB C 29.371 . 1 232 83 82 ARG N N 123.371 . 1 233 84 83 ASN CA C 53.778 . 1 234 84 83 ASN CB C 38.027 . 1 235 85 84 THR H H 7.751 . 1 236 85 84 THR CA C 64.771 . 1 237 85 84 THR CB C 69.902 . 1 238 85 84 THR N N 116.382 . 1 239 86 85 GLU H H 8.654 . 1 240 86 85 GLU CA C 57.277 . 1 241 86 85 GLU CB C 31.777 . 1 242 86 85 GLU N N 125.328 . 1 243 87 86 GLY H H 7.480 . 1 244 87 86 GLY CA C 45.084 . 1 245 87 86 GLY N N 104.495 . 1 246 88 87 VAL H H 8.809 . 1 247 88 87 VAL CA C 60.449 . 1 248 88 87 VAL CB C 34.451 . 1 249 88 87 VAL N N 124.337 . 1 250 89 88 ILE H H 9.086 . 1 251 89 88 ILE CA C 58.746 . 1 252 89 88 ILE CB C 38.868 . 1 253 89 88 ILE N N 125.065 . 1 254 90 89 PHE H H 9.422 . 1 255 90 89 PHE CA C 55.800 . 1 256 90 89 PHE CB C 42.257 . 1 257 90 89 PHE N N 130.791 . 1 258 91 90 VAL H H 8.492 . 1 259 91 90 VAL CA C 62.096 . 1 260 91 90 VAL CB C 32.641 . 1 261 91 90 VAL N N 128.458 . 1 262 92 91 VAL H H 8.873 . 1 263 92 91 VAL CA C 59.722 . 1 264 92 91 VAL CB C 35.927 . 1 265 92 91 VAL N N 122.127 . 1 266 93 92 ASP H H 9.096 . 1 267 93 92 ASP CA C 53.499 . 1 268 93 92 ASP CB C 40.607 . 1 269 93 92 ASP N N 123.244 . 1 270 94 93 SER H H 8.468 . 1 271 94 93 SER CA C 61.335 . 1 272 94 93 SER CB C 63.639 . 1 273 94 93 SER N N 123.352 . 1 274 95 94 ASN H H 9.248 . 1 275 95 94 ASN CA C 53.008 . 1 276 95 94 ASN CB C 42.022 . 1 277 95 94 ASN N N 117.825 . 1 278 96 95 ASP H H 6.927 . 1 279 96 95 ASP CA C 51.817 . 1 280 96 95 ASP CB C 39.322 . 1 281 96 95 ASP N N 118.701 . 1 282 97 96 ARG H H 8.236 . 1 283 97 96 ARG CA C 59.118 . 1 284 97 96 ARG CB C 29.944 . 1 285 97 96 ARG N N 124.876 . 1 286 98 97 SER H H 8.601 . 1 287 98 97 SER CA C 61.197 . 1 288 98 97 SER CB C 63.035 . 1 289 98 97 SER N N 115.692 . 1 290 99 98 ARG H H 7.206 . 1 291 99 98 ARG CA C 56.514 . 1 292 99 98 ARG CB C 31.624 . 1 293 99 98 ARG N N 116.530 . 1 294 100 99 ILE H H 7.116 . 1 295 100 99 ILE CA C 61.561 . 1 296 100 99 ILE CB C 37.695 . 1 297 100 99 ILE N N 121.304 . 1 298 101 100 GLY H H 8.568 . 1 299 101 100 GLY CA C 46.846 . 1 300 101 100 GLY N N 111.373 . 1 301 102 101 GLU H H 7.671 . 1 302 102 101 GLU CA C 58.859 . 1 303 102 101 GLU CB C 29.456 . 1 304 102 101 GLU N N 125.468 . 1 305 103 102 ALA H H 8.102 . 1 306 103 102 ALA CA C 55.746 . 1 307 103 102 ALA CB C 17.713 . 1 308 103 102 ALA N N 121.545 . 1 309 104 103 ARG H H 8.264 . 1 310 104 103 ARG CA C 60.237 . 1 311 104 103 ARG CB C 29.473 . 1 312 104 103 ARG N N 117.216 . 1 313 105 104 GLU H H 7.939 . 1 314 105 104 GLU CA C 59.802 . 1 315 105 104 GLU CB C 29.368 . 1 316 105 104 GLU N N 118.520 . 1 317 106 105 VAL H H 8.191 . 1 318 106 105 VAL CA C 66.185 . 1 319 106 105 VAL CB C 32.019 . 1 320 106 105 VAL N N 118.191 . 1 321 107 106 MET H H 8.643 . 1 322 107 106 MET CA C 60.153 . 1 323 107 106 MET CB C 32.055 . 1 324 107 106 MET N N 121.443 . 1 325 108 107 GLN H H 8.670 . 1 326 108 107 GLN CA C 59.010 . 1 327 108 107 GLN CB C 27.453 . 1 328 108 107 GLN N N 115.772 . 1 329 109 108 ARG H H 7.533 . 1 330 109 108 ARG CA C 59.689 . 1 331 109 108 ARG CB C 30.003 . 1 332 109 108 ARG N N 118.289 . 1 333 110 109 MET H H 8.104 . 1 334 110 109 MET CA C 60.025 . 1 335 110 109 MET CB C 33.513 . 1 336 110 109 MET N N 119.647 . 1 337 111 110 LEU H H 8.296 . 1 338 111 110 LEU CA C 56.977 . 1 339 111 110 LEU CB C 42.058 . 1 340 111 110 LEU N N 119.110 . 1 341 112 111 ASN H H 7.176 . 1 342 112 111 ASN CA C 52.845 . 1 343 112 111 ASN CB C 39.977 . 1 344 112 111 ASN N N 115.145 . 1 345 113 112 GLU H H 7.389 . 1 346 113 112 GLU CA C 56.243 . 1 347 113 112 GLU CB C 28.864 . 1 348 113 112 GLU N N 120.496 . 1 349 114 113 ASP H H 9.365 . 1 350 114 113 ASP CA C 58.341 . 1 351 114 113 ASP CB C 41.105 . 1 352 114 113 ASP N N 130.257 . 1 353 115 114 GLU H H 9.752 . 1 354 115 114 GLU CA C 59.078 . 1 355 115 114 GLU CB C 30.375 . 1 356 115 114 GLU N N 116.442 . 1 357 116 115 LEU H H 7.228 . 1 358 116 115 LEU CA C 53.373 . 1 359 116 115 LEU CB C 42.939 . 1 360 116 115 LEU N N 114.502 . 1 361 117 116 ARG H H 7.388 . 1 362 117 116 ARG CA C 59.467 . 1 363 117 116 ARG CB C 30.296 . 1 364 117 116 ARG N N 120.944 . 1 365 118 117 ASN H H 8.639 . 1 366 118 117 ASN CA C 53.069 . 1 367 118 117 ASN CB C 39.302 . 1 368 118 117 ASN N N 114.513 . 1 369 119 118 ALA H H 7.430 . 1 370 119 118 ALA CA C 52.569 . 1 371 119 118 ALA CB C 18.791 . 1 372 119 118 ALA N N 122.670 . 1 373 120 119 ALA H H 7.389 . 1 374 120 119 ALA CA C 52.422 . 1 375 120 119 ALA CB C 19.731 . 1 376 120 119 ALA N N 124.367 . 1 377 121 120 TRP H H 8.691 . 1 378 121 120 TRP CA C 57.657 . 1 379 121 120 TRP N N 124.238 . 1 380 122 121 LEU H H 9.287 . 1 381 122 121 LEU CA C 52.737 . 1 382 122 121 LEU CB C 45.434 . 1 383 122 121 LEU N N 127.562 . 1 384 123 122 VAL H H 9.295 . 1 385 123 122 VAL CA C 60.173 . 1 386 123 122 VAL CB C 33.442 . 1 387 123 122 VAL N N 126.108 . 1 388 124 123 PHE H H 8.782 . 1 389 124 123 PHE CA C 51.946 . 1 390 124 123 PHE CB C 38.980 . 1 391 124 123 PHE N N 125.259 . 1 392 125 124 ALA H H 8.720 . 1 393 125 124 ALA CA C 50.252 . 1 394 125 124 ALA CB C 16.841 . 1 395 125 124 ALA N N 129.213 . 1 396 126 125 ASN H H 8.768 . 1 397 126 125 ASN CA C 52.868 . 1 398 126 125 ASN CB C 41.149 . 1 399 126 125 ASN N N 121.349 . 1 400 127 126 LYS H H 7.682 . 1 401 127 126 LYS CA C 57.230 . 1 402 127 126 LYS CB C 28.737 . 1 403 127 126 LYS N N 117.451 . 1 404 128 127 GLN H H 7.997 . 1 405 128 127 GLN CA C 57.249 . 1 406 128 127 GLN CB C 28.288 . 1 407 128 127 GLN N N 113.247 . 1 408 129 128 ASP H H 9.896 . 1 409 129 128 ASP CA C 54.357 . 1 410 129 128 ASP CB C 40.609 . 1 411 129 128 ASP N N 114.582 . 1 412 130 129 LEU H H 7.348 . 1 413 130 129 LEU CA C 53.270 . 1 414 130 129 LEU CB C 39.543 . 1 415 130 129 LEU N N 122.675 . 1 416 131 130 PRO CA C 64.993 . 1 417 131 130 PRO CB C 32.121 . 1 418 132 131 GLU H H 8.448 . 1 419 132 131 GLU CA C 55.365 . 1 420 132 131 GLU CB C 28.212 . 1 421 132 131 GLU N N 115.301 . 1 422 133 132 ALA H H 7.339 . 1 423 133 132 ALA CA C 53.447 . 1 424 133 132 ALA CB C 18.475 . 1 425 133 132 ALA N N 122.444 . 1 426 134 133 MET H H 8.290 . 1 427 134 133 MET CA C 56.719 . 1 428 134 133 MET CB C 36.171 . 1 429 134 133 MET N N 122.282 . 1 430 135 134 SER H H 8.765 . 1 431 135 134 SER CA C 57.220 . 1 432 135 134 SER CB C 65.574 . 1 433 135 134 SER N N 116.597 . 1 434 136 135 ALA H H 9.315 . 1 435 136 135 ALA CA C 55.762 . 1 436 136 135 ALA CB C 17.435 . 1 437 136 135 ALA N N 122.437 . 1 438 137 136 ALA H H 8.617 . 1 439 137 136 ALA CA C 55.796 . 1 440 137 136 ALA CB C 18.041 . 1 441 137 136 ALA N N 122.812 . 1 442 138 137 GLU H H 8.041 . 1 443 138 137 GLU CA C 59.477 . 1 444 138 137 GLU CB C 29.534 . 1 445 138 137 GLU N N 122.551 . 1 446 139 138 ILE H H 8.587 . 1 447 139 138 ILE CA C 64.887 . 1 448 139 138 ILE CB C 36.901 . 1 449 139 138 ILE N N 120.402 . 1 450 140 139 THR H H 8.296 . 1 451 140 139 THR CA C 67.659 . 1 452 140 139 THR CB C 68.542 . 1 453 140 139 THR N N 116.974 . 1 454 141 140 GLU H H 7.302 . 1 455 141 140 GLU CA C 59.332 . 1 456 141 140 GLU CB C 29.639 . 1 457 141 140 GLU N N 120.953 . 1 458 142 141 LYS H H 8.669 . 1 459 142 141 LYS CA C 59.148 . 1 460 142 141 LYS CB C 33.289 . 1 461 142 141 LYS N N 119.486 . 1 462 143 142 LEU H H 8.380 . 1 463 143 142 LEU CA C 54.941 . 1 464 143 142 LEU CB C 42.410 . 1 465 143 142 LEU N N 114.399 . 1 466 144 143 GLY H H 7.456 . 1 467 144 143 GLY CA C 46.550 . 1 468 144 143 GLY N N 106.607 . 1 469 145 144 LEU H H 7.392 . 1 470 145 144 LEU CA C 56.824 . 1 471 145 144 LEU CB C 38.611 . 1 472 145 144 LEU N N 116.915 . 1 473 146 145 HIS H H 7.948 . 1 474 146 145 HIS CA C 58.820 . 1 475 146 145 HIS CB C 29.697 . 1 476 146 145 HIS N N 111.434 . 1 477 147 146 SER H H 7.392 . 1 478 147 146 SER CA C 59.142 . 1 479 147 146 SER CB C 63.615 . 1 480 147 146 SER N N 113.176 . 1 481 148 147 ILE H H 7.500 . 1 482 148 147 ILE CA C 62.787 . 1 483 148 147 ILE CB C 36.051 . 1 484 148 147 ILE N N 123.969 . 1 485 149 148 ARG H H 8.540 . 1 486 149 148 ARG CA C 54.822 . 1 487 149 148 ARG CB C 32.306 . 1 488 149 148 ARG N N 126.482 . 1 489 150 149 ASN CA C 54.130 . 1 490 150 149 ASN CB C 37.861 . 1 491 151 150 ARG H H 7.521 . 1 492 151 150 ARG CA C 53.710 . 1 493 151 150 ARG CB C 31.061 . 1 494 151 150 ARG N N 116.235 . 1 495 152 151 PRO CA C 63.031 . 1 496 152 151 PRO CB C 32.463 . 1 497 153 152 TRP H H 8.119 . 1 498 153 152 TRP CA C 55.128 . 1 499 153 152 TRP CB C 33.235 . 1 500 153 152 TRP N N 119.722 . 1 501 154 153 PHE H H 8.370 . 1 502 154 153 PHE CA C 56.936 . 1 503 154 153 PHE CB C 41.209 . 1 504 154 153 PHE N N 121.883 . 1 505 155 154 ILE H H 7.052 . 1 506 155 154 ILE CA C 57.750 . 1 507 155 154 ILE CB C 41.173 . 1 508 155 154 ILE N N 123.068 . 1 509 156 155 GLN H H 8.905 . 1 510 156 155 GLN CA C 52.494 . 1 511 156 155 GLN CB C 33.176 . 1 512 156 155 GLN N N 126.508 . 1 513 157 156 ALA H H 8.938 . 1 514 157 156 ALA CA C 52.288 . 1 515 157 156 ALA CB C 19.057 . 1 516 157 156 ALA N N 132.734 . 1 517 158 157 THR H H 8.740 . 1 518 158 157 THR CA C 60.728 . 1 519 158 157 THR CB C 73.262 . 1 520 158 157 THR N N 116.165 . 1 521 159 158 CYS H H 8.436 . 1 522 159 158 CYS CA C 57.621 . 1 523 159 158 CYS CB C 28.550 . 1 524 159 158 CYS N N 120.644 . 1 525 160 159 ALA H H 9.546 . 1 526 160 159 ALA CA C 55.635 . 1 527 160 159 ALA CB C 19.640 . 1 528 160 159 ALA N N 132.326 . 1 529 161 160 THR H H 7.127 . 1 530 161 160 THR CA C 63.809 . 1 531 161 160 THR CB C 67.242 . 1 532 161 160 THR N N 103.377 . 1 533 162 161 SER H H 7.699 . 1 534 162 161 SER CA C 58.023 . 1 535 162 161 SER CB C 64.650 . 1 536 162 161 SER N N 115.706 . 1 537 163 162 GLY H H 8.431 . 1 538 163 162 GLY CA C 45.169 . 1 539 163 162 GLY N N 112.950 . 1 540 164 163 GLU H H 8.092 . 1 541 164 163 GLU CA C 58.514 . 1 542 164 163 GLU CB C 30.234 . 1 543 164 163 GLU N N 125.549 . 1 544 165 164 GLY H H 8.911 . 1 545 165 164 GLY CA C 46.522 . 1 546 165 164 GLY N N 114.672 . 1 547 166 165 LEU H H 7.297 . 1 548 166 165 LEU CA C 58.233 . 1 549 166 165 LEU CB C 41.677 . 1 550 166 165 LEU N N 117.862 . 1 551 167 166 TYR H H 8.972 . 1 552 167 166 TYR CA C 62.764 . 1 553 167 166 TYR CB C 37.683 . 1 554 167 166 TYR N N 118.571 . 1 555 168 167 GLU H H 9.740 . 1 556 168 167 GLU CA C 61.421 . 1 557 168 167 GLU CB C 28.343 . 1 558 168 167 GLU N N 119.992 . 1 559 169 168 GLY H H 8.210 . 1 560 169 168 GLY CA C 47.922 . 1 561 169 168 GLY N N 105.562 . 1 562 170 169 LEU H H 8.355 . 1 563 170 169 LEU CA C 58.020 . 1 564 170 169 LEU CB C 41.245 . 1 565 170 169 LEU N N 121.686 . 1 566 171 170 GLU H H 9.156 . 1 567 171 170 GLU CA C 59.775 . 1 568 171 170 GLU CB C 29.174 . 1 569 171 170 GLU N N 123.150 . 1 570 172 171 TRP H H 7.369 . 1 571 172 171 TRP CA C 62.648 . 1 572 172 171 TRP CB C 27.336 . 1 573 172 171 TRP N N 120.005 . 1 574 173 172 LEU H H 8.116 . 1 575 173 172 LEU CA C 58.105 . 1 576 173 172 LEU CB C 42.675 . 1 577 173 172 LEU N N 120.996 . 1 578 174 173 SER H H 8.683 . 1 579 174 173 SER CA C 61.551 . 1 580 174 173 SER CB C 62.747 . 1 581 174 173 SER N N 113.159 . 1 582 175 174 ASN H H 7.839 . 1 583 175 174 ASN CA C 55.456 . 1 584 175 174 ASN CB C 38.103 . 1 585 175 174 ASN N N 117.950 . 1 586 176 175 SER H H 7.703 . 1 587 176 175 SER CA C 61.067 . 1 588 176 175 SER CB C 62.591 . 1 589 176 175 SER N N 116.800 . 1 590 177 176 LEU H H 7.440 . 1 591 177 176 LEU CA C 55.742 . 1 592 177 176 LEU CB C 41.559 . 1 593 177 176 LEU N N 120.204 . 1 594 178 177 LYS H H 7.876 . 1 595 178 177 LYS CA C 58.248 . 1 596 178 177 LYS CB C 32.495 . 1 597 178 177 LYS N N 120.146 . 1 598 179 178 ASN H H 7.978 . 1 599 179 178 ASN CA C 53.641 . 1 600 179 178 ASN CB C 38.936 . 1 601 179 178 ASN N N 117.327 . 1 602 180 179 SER H H 8.048 . 1 603 180 179 SER CA C 58.964 . 1 604 180 179 SER CB C 63.859 . 1 605 180 179 SER N N 115.844 . 1 606 181 180 THR H H 8.098 . 1 607 181 180 THR CA C 62.109 . 1 608 181 180 THR CB C 69.727 . 1 609 181 180 THR N N 115.638 . 1 stop_ save_