data_17204 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; the 1H, 13C and 15N resonance assignment of ubiquitin-like small archaeal modifier protein from Haloferax volcanii ; _BMRB_accession_number 17204 _BMRB_flat_file_name bmr17204.str _Entry_type original _Submission_date 2010-09-24 _Accession_date 2010-09-24 _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 Zhang Wen . . 2 Fan Kai . . 3 Zhang Jiahai . . 4 Tu Xiaoming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 285 "13C chemical shifts" 179 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-04 original author . stop_ _Original_release_date 2014-03-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP2) from Haloferax volcanii.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23823798 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liao Shanhui . . 2 Zhang Wen . . 3 Fan Kai . . 4 Ye Kaiqin . . 5 Zhang Xuecheng . . 6 Zhang Jiahai . . 7 Xu Chao . . 8 Tu Xiaoming . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 3 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2136 _Page_last 2136 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ubiquitin-like small archaeal modifier protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like small archaeal modifier protein' $ubiquitin-like_small_archaeal_modifier_protein 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_ubiquitin-like_small_archaeal_modifier_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ubiquitin-like_small_archaeal_modifier_protein _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MNVTVEVVGEETSEVAVDDD GTYADLVRAVDLSPHEVTVL VDGRPVPEDQSVEVDRVKVL RLIKGGLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 VAL 4 THR 5 VAL 6 GLU 7 VAL 8 VAL 9 GLY 10 GLU 11 GLU 12 THR 13 SER 14 GLU 15 VAL 16 ALA 17 VAL 18 ASP 19 ASP 20 ASP 21 GLY 22 THR 23 TYR 24 ALA 25 ASP 26 LEU 27 VAL 28 ARG 29 ALA 30 VAL 31 ASP 32 LEU 33 SER 34 PRO 35 HIS 36 GLU 37 VAL 38 THR 39 VAL 40 LEU 41 VAL 42 ASP 43 GLY 44 ARG 45 PRO 46 VAL 47 PRO 48 GLU 49 ASP 50 GLN 51 SER 52 VAL 53 GLU 54 VAL 55 ASP 56 ARG 57 VAL 58 LYS 59 VAL 60 LEU 61 ARG 62 LEU 63 ILE 64 LYS 65 GLY 66 GLY 67 LEU 68 GLU 69 HIS 70 HIS 71 HIS 72 HIS 73 HIS 74 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 17939 "a protein from Haloferax volcanii" 89.19 132 100.00 100.00 1.18e-34 PDB 2L32 "Solution Structure Of Ubiquitin-Like Small Archaeal Modifier Protein In Haloferax Volcanii" 100.00 74 100.00 100.00 8.70e-42 PDB 2LJI "Structure Of A Protein From Haloferax Volcanii" 100.00 74 100.00 100.00 8.70e-42 PDB 4HRS "Crystal Structure Of H. Volcanii Small Archaeal Modifier Protein 2" 87.84 67 100.00 100.00 2.16e-34 GB ADE03392 "ubiquitin-like modifier protein SAMP2 [Haloferax volcanii DS2]" 89.19 66 100.00 100.00 1.70e-35 GB AKU06380 "small archaeal modifier protein 2 [Haloferax gibbonsii]" 89.19 66 96.97 96.97 1.32e-33 GB ELK50451 "hypothetical protein D320_16929 [Haloferax sp. BAB2207]" 89.19 66 98.48 98.48 1.54e-34 GB ELY23894 "hypothetical protein C498_19264 [Haloferax volcanii DS2]" 89.19 66 100.00 100.00 1.70e-35 GB ELZ70132 "hypothetical protein C456_17012 [Haloferax lucentense DSM 14919]" 89.19 66 96.97 96.97 1.32e-33 REF WP_004045316 "hypothetical protein [Haloferax volcanii]" 89.19 66 100.00 100.00 1.70e-35 REF WP_004065555 "MULTISPECIES: hypothetical protein [Haloferax]" 89.19 66 96.97 96.97 1.32e-33 REF WP_008609462 "hypothetical protein [Haloferax sp. BAB2207]" 89.19 66 98.48 98.48 1.54e-34 SP D4GZE7 "RecName: Full=Small archaeal modifier protein 2; Short=SAMP2; AltName: Full=Ubiquitin-like small archaeal modifier protein 2" 89.19 66 100.00 100.00 1.70e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ubiquitin-like_small_archaeal_modifier_protein 'Haloferax volcanii' 2246 Archaea . Haloferax volcanii 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 $ubiquitin-like_small_archaeal_modifier_protein 'recombinant technology' . Escherichia coli . pet22 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 $ubiquitin-like_small_archaeal_modifier_protein 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _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_HBHA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.125 . M pH 6.7 . pH pressure 1 . atm temperature 293 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '3D HBHA(CO)NH' '3D H(CCO)NH' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' 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 'ubiquitin-like small archaeal modifier protein' _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 MET HA H 4.054 0.01 1 2 1 1 MET HB2 H 2.061 0.01 2 3 1 1 MET HB3 H 2.061 0.01 2 4 1 1 MET HG2 H 2.249 0.01 2 5 1 1 MET HG3 H 2.249 0.01 2 6 1 1 MET CA C 55.219 0.1 1 7 1 1 MET CB C 33.638 0.1 1 8 1 1 MET CG C 29.938 0.1 1 9 2 2 ASN H H 8.893 0.01 . 10 2 2 ASN HA H 5.430 0.01 1 11 2 2 ASN HB2 H 2.588 0.01 2 12 2 2 ASN HB3 H 2.588 0.01 2 13 2 2 ASN CA C 52.870 0.1 1 14 2 2 ASN CB C 39.667 0.1 1 15 2 2 ASN N N 124.049 0.01 1 16 3 3 VAL H H 9.170 0.01 . 17 3 3 VAL HA H 4.302 0.01 1 18 3 3 VAL HB H 1.663 0.01 1 19 3 3 VAL HG1 H 0.751 0.01 2 20 3 3 VAL HG2 H 0.751 0.01 2 21 3 3 VAL CA C 60.590 0.1 1 22 3 3 VAL CB C 35.529 0.1 1 23 3 3 VAL CG1 C 22.356 0.1 1 24 3 3 VAL CG2 C 22.356 0.1 1 25 3 3 VAL N N 124.454 0.01 1 26 4 4 THR H H 8.648 0.01 . 27 4 4 THR HA H 4.548 0.01 1 28 4 4 THR HB H 4.023 0.01 1 29 4 4 THR HG2 H 1.056 0.01 . 30 4 4 THR CA C 63.795 0.1 1 31 4 4 THR CB C 68.983 0.1 1 32 4 4 THR CG2 C 21.888 0.1 . 33 4 4 THR N N 124.770 0.01 1 34 5 5 VAL H H 9.452 0.01 . 35 5 5 VAL HA H 4.177 0.01 1 36 5 5 VAL HB H 2.026 0.01 1 37 5 5 VAL HG1 H 0.680 0.01 2 38 5 5 VAL HG2 H 0.680 0.01 2 39 5 5 VAL CA C 61.247 0.1 1 40 5 5 VAL CB C 32.587 0.1 1 41 5 5 VAL CG1 C 21.652 0.1 1 42 5 5 VAL CG2 C 21.652 0.1 1 43 5 5 VAL N N 129.115 0.01 1 44 6 6 GLU H H 8.337 0.01 . 45 6 6 GLU HA H 4.694 0.01 1 46 6 6 GLU HB2 H 2.129 0.01 2 47 6 6 GLU HB3 H 1.827 0.01 2 48 6 6 GLU HG2 H 2.222 0.01 2 49 6 6 GLU HG3 H 2.222 0.01 2 50 6 6 GLU CA C 54.633 0.1 1 51 6 6 GLU CB C 31.413 0.1 1 52 6 6 GLU CG C 34.953 0.1 1 53 6 6 GLU N N 128.906 0.01 1 54 7 7 VAL H H 8.242 0.01 . 55 7 7 VAL HA H 4.508 0.01 1 56 7 7 VAL HB H 2.334 0.01 1 57 7 7 VAL HG1 H 0.808 0.01 2 58 7 7 VAL HG2 H 0.808 0.01 2 59 7 7 VAL CA C 62.209 0.1 1 60 7 7 VAL CB C 30.436 0.1 1 61 7 7 VAL CG1 C 21.204 0.1 1 62 7 7 VAL CG2 C 21.204 0.1 1 63 7 7 VAL N N 128.975 0.01 1 64 8 8 VAL H H 8.564 0.01 . 65 8 8 VAL HA H 3.591 0.01 1 66 8 8 VAL HB H 2.057 0.01 1 67 8 8 VAL HG1 H 0.913 0.01 2 68 8 8 VAL HG2 H 0.913 0.01 2 69 8 8 VAL CA C 65.998 0.1 1 70 8 8 VAL CB C 31.219 0.1 1 71 8 8 VAL N N 129.741 0.01 1 72 9 9 GLY H H 9.070 0.01 . 73 9 9 GLY CA C 45.195 0.1 1 74 9 9 GLY N N 116.525 0.01 1 75 10 10 GLU H H 8.603 0.01 . 76 10 10 GLU N N 122.025 0.01 1 77 11 11 GLU HA H 4.599 0.01 1 78 11 11 GLU HB2 H 2.048 0.01 2 79 11 11 GLU HB3 H 2.048 0.01 2 80 11 11 GLU HG2 H 2.257 0.01 2 81 11 11 GLU HG3 H 2.257 0.01 2 82 11 11 GLU CA C 56.240 0.1 1 83 11 11 GLU CB C 32.158 0.1 1 84 11 11 GLU CG C 35.685 0.1 1 85 12 12 THR H H 8.795 0.01 . 86 12 12 THR HA H 5.288 0.01 1 87 12 12 THR HB H 3.908 0.01 1 88 12 12 THR HG2 H 1.020 0.01 . 89 12 12 THR CA C 61.946 0.1 1 90 12 12 THR CB C 70.167 0.1 1 91 12 12 THR CG2 C 22.021 0.1 1 92 12 12 THR N N 119.992 0.01 1 93 13 13 SER H H 8.810 0.01 . 94 13 13 SER HA H 4.802 0.01 1 95 13 13 SER HB2 H 3.713 0.01 2 96 13 13 SER HB3 H 3.573 0.01 2 97 13 13 SER CA C 57.360 0.1 1 98 13 13 SER CB C 65.941 0.1 1 99 13 13 SER N N 122.186 0.01 1 100 14 14 GLU H H 8.604 0.01 . 101 14 14 GLU HA H 4.984 0.01 1 102 14 14 GLU HB2 H 1.857 0.01 2 103 14 14 GLU HB3 H 1.857 0.01 2 104 14 14 GLU HG2 H 2.040 0.01 2 105 14 14 GLU HG3 H 2.040 0.01 2 106 14 14 GLU CA C 55.392 0.1 1 107 14 14 GLU CB C 30.714 0.1 1 108 14 14 GLU CG C 36.287 0.1 1 109 14 14 GLU N N 122.710 0.01 1 110 15 15 VAL H H 9.050 0.01 . 111 15 15 VAL HA H 4.399 0.01 1 112 15 15 VAL HB H 1.902 0.01 1 113 15 15 VAL HG1 H 0.733 0.01 2 114 15 15 VAL HG2 H 0.733 0.01 2 115 15 15 VAL CA C 60.211 0.1 1 116 15 15 VAL CB C 35.244 0.1 1 117 15 15 VAL CG1 C 21.143 0.1 2 118 15 15 VAL CG2 C 21.143 0.1 2 119 15 15 VAL N N 123.744 0.01 1 120 16 16 ALA H H 8.281 0.01 . 121 16 16 ALA HA H 5.154 0.01 1 122 16 16 ALA HB H 1.236 0.01 1 123 16 16 ALA CA C 50.928 0.1 1 124 16 16 ALA CB C 19.732 0.1 1 125 16 16 ALA N N 126.771 0.01 1 126 17 17 VAL H H 8.471 0.01 . 127 17 17 VAL HA H 4.462 0.01 1 128 17 17 VAL HB H 2.093 0.01 1 129 17 17 VAL HG1 H 0.800 0.01 2 130 17 17 VAL CA C 59.230 0.1 1 131 17 17 VAL CB C 35.216 0.1 1 132 17 17 VAL CG1 C 19.495 0.1 2 133 17 17 VAL CG2 C 21.911 0.1 2 134 17 17 VAL N N 118.030 0.01 1 135 18 18 ASP H H 8.546 0.01 . 136 18 18 ASP HA H 4.531 0.01 1 137 18 18 ASP HB2 H 2.680 0.01 2 138 18 18 ASP HB3 H 2.590 0.01 2 139 18 18 ASP CA C 54.395 0.1 1 140 18 18 ASP CB C 41.619 0.1 1 141 18 18 ASP N N 123.852 0.01 1 142 19 19 ASP H H 8.619 0.01 . 143 19 19 ASP HA H 4.326 0.01 1 144 19 19 ASP HB2 H 2.642 0.01 2 145 19 19 ASP HB3 H 2.534 0.01 2 146 19 19 ASP CA C 56.992 0.1 1 147 19 19 ASP CB C 40.191 0.1 1 148 19 19 ASP N N 120.086 0.01 1 149 20 20 ASP H H 8.255 0.01 . 150 20 20 ASP HA H 4.660 0.01 1 151 20 20 ASP HB2 H 2.738 0.01 2 152 20 20 ASP HB3 H 2.668 0.01 2 153 20 20 ASP CA C 53.383 0.1 1 154 20 20 ASP CB C 39.959 0.1 1 155 20 20 ASP N N 116.684 0.01 1 156 21 21 GLY H H 8.020 0.01 . 157 21 21 GLY HA2 H 4.215 0.01 2 158 21 21 GLY HA3 H 3.527 0.01 2 159 21 21 GLY CA C 45.534 0.1 1 160 21 21 GLY N N 108.674 0.01 1 161 22 22 THR H H 8.985 0.01 . 162 22 22 THR HA H 4.961 0.01 1 163 22 22 THR HB H 4.603 0.01 1 164 22 22 THR HG2 H 1.011 0.01 . 165 22 22 THR CA C 59.944 0.1 1 166 22 22 THR CB C 73.173 0.1 1 167 22 22 THR CG2 C 21.701 0.1 1 168 22 22 THR N N 111.808 0.01 1 169 23 23 TYR H H 7.863 0.01 . 170 23 23 TYR HA H 3.977 0.01 1 171 23 23 TYR HB2 H 3.010 0.01 2 172 23 23 TYR HB3 H 2.868 0.01 2 173 23 23 TYR CA C 64.241 0.1 1 174 23 23 TYR CB C 37.325 0.1 1 175 23 23 TYR N N 118.352 0.01 1 176 24 24 ALA HA H 3.890 0.01 1 177 24 24 ALA HB H 1.361 0.01 1 178 24 24 ALA CA C 55.596 0.1 1 179 24 24 ALA CB C 18.304 0.1 1 180 24 24 ALA N N 121.690 0.01 1 181 25 25 ASP H H 7.550 0.01 . 182 25 25 ASP HA H 4.297 0.01 1 183 25 25 ASP HB2 H 3.085 0.01 2 184 25 25 ASP HB3 H 2.631 0.01 2 185 25 25 ASP CA C 57.738 0.1 1 186 25 25 ASP CB C 40.494 0.1 1 187 25 25 ASP N N 116.906 0.01 1 188 26 26 LEU H H 7.606 0.01 . 189 26 26 LEU HA H 3.852 0.01 1 190 26 26 LEU HB2 H 1.991 0.01 2 191 26 26 LEU HB3 H 1.613 0.01 2 192 26 26 LEU HD1 H 0.871 0.01 2 193 26 26 LEU HD2 H 0.731 0.01 2 194 26 26 LEU CA C 57.762 0.1 1 195 26 26 LEU CB C 41.577 0.1 1 196 26 26 LEU CD1 C 23.664 0.1 2 197 26 26 LEU CG C 27.943 0.1 1 198 26 26 LEU N N 120.175 0.01 1 199 27 27 VAL H H 7.465 0.01 . 200 27 27 VAL HA H 3.353 0.01 1 201 27 27 VAL HB H 2.055 0.01 1 202 27 27 VAL HG1 H 0.834 0.01 2 203 27 27 VAL HG2 H 0.602 0.01 2 204 27 27 VAL CA C 66.022 0.1 1 205 27 27 VAL CB C 31.707 0.1 1 206 27 27 VAL CG1 C 22.540 0.1 2 207 27 27 VAL CG2 C 22.540 0.1 2 208 27 27 VAL N N 115.741 0.01 1 209 28 28 ARG H H 8.045 0.01 . 210 28 28 ARG HA H 4.365 0.01 1 211 28 28 ARG HB2 H 1.882 0.01 2 212 28 28 ARG HB3 H 1.882 0.01 2 213 28 28 ARG HD2 H 3.354 0.01 2 214 28 28 ARG HD3 H 3.150 0.01 2 215 28 28 ARG HG2 H 1.703 0.01 2 216 28 28 ARG HG3 H 1.703 0.01 2 217 28 28 ARG CA C 59.582 0.1 1 218 28 28 ARG CB C 30.538 0.1 1 219 28 28 ARG CD C 42.899 0.1 1 220 28 28 ARG CG C 29.519 0.1 1 221 28 28 ARG N N 118.010 0.01 1 222 29 29 ALA H H 7.759 0.01 . 223 29 29 ALA HA H 4.254 0.01 1 224 29 29 ALA HB H 1.578 0.01 1 225 29 29 ALA CA C 54.412 0.1 1 226 29 29 ALA CB C 18.353 0.1 1 227 29 29 ALA N N 121.849 0.01 1 228 30 30 VAL H H 7.205 0.01 . 229 30 30 VAL HA H 4.516 0.01 1 230 30 30 VAL HB H 2.452 0.01 1 231 30 30 VAL HG1 H 0.839 0.01 2 232 30 30 VAL CA C 60.333 0.1 1 233 30 30 VAL CB C 30.021 0.1 1 234 30 30 VAL CG1 C 21.745 0.1 2 235 30 30 VAL CG2 C 18.919 0.1 2 236 30 30 VAL N N 110.078 0.01 1 237 31 31 ASP H H 7.852 0.01 . 238 31 31 ASP HA H 4.267 0.01 1 239 31 31 ASP HB2 H 3.005 0.01 2 240 31 31 ASP HB3 H 2.632 0.01 2 241 31 31 ASP CA C 55.660 0.1 1 242 31 31 ASP CB C 39.009 0.1 1 243 31 31 ASP N N 115.283 0.01 1 244 32 32 LEU H H 7.529 0.01 . 245 32 32 LEU HA H 4.668 0.01 1 246 32 32 LEU HB2 H 1.408 0.01 2 247 32 32 LEU HB3 H 1.072 0.01 2 248 32 32 LEU HD1 H 0.770 0.01 2 249 32 32 LEU HD2 H 0.770 0.01 2 250 32 32 LEU CA C 52.962 0.1 1 251 32 32 LEU CB C 45.282 0.1 1 252 32 32 LEU CD1 C 22.855 0.1 2 253 32 32 LEU CG C 26.577 0.1 1 254 32 32 LEU N N 117.503 0.01 1 255 33 33 SER H H 8.496 0.01 . 256 33 33 SER CA C 54.390 0.1 1 257 33 33 SER CB C 63.940 0.1 1 258 33 33 SER N N 115.441 0.01 1 259 34 34 PRO HA H 4.080 0.01 1 260 34 34 PRO HB2 H 2.099 0.01 2 261 34 34 PRO HB3 H 1.903 0.01 2 262 34 34 PRO HD2 H 3.870 0.01 2 263 34 34 PRO HD3 H 3.870 0.01 2 264 34 34 PRO CA C 65.317 0.1 1 265 34 34 PRO CB C 32.322 0.1 1 266 34 34 PRO CG C 27.728 0.1 1 267 35 35 HIS H H 7.840 0.01 . 268 35 35 HIS HA H 4.683 0.01 1 269 35 35 HIS HB2 H 3.172 0.01 2 270 35 35 HIS HB3 H 3.172 0.01 2 271 35 35 HIS CA C 56.730 0.1 1 272 35 35 HIS CB C 29.349 0.1 1 273 35 35 HIS N N 111.237 0.01 1 274 36 36 GLU H H 7.800 0.01 . 275 36 36 GLU HA H 4.462 0.01 1 276 36 36 GLU HB2 H 2.195 0.01 2 277 36 36 GLU HB3 H 1.946 0.01 2 278 36 36 GLU CA C 55.424 0.1 1 279 36 36 GLU CB C 31.061 0.1 1 280 36 36 GLU CG C 36.120 0.1 1 281 36 36 GLU N N 117.450 0.01 1 282 37 37 VAL H H 7.270 0.01 . 283 37 37 VAL HA H 5.329 0.01 1 284 37 37 VAL HB H 1.968 0.01 1 285 37 37 VAL HG1 H 0.704 0.01 2 286 37 37 VAL CA C 58.402 0.1 1 287 37 37 VAL CB C 36.060 0.1 1 288 37 37 VAL CG1 C 21.862 0.1 2 289 37 37 VAL CG2 C 19.190 0.1 2 290 37 37 VAL N N 111.266 0.01 1 291 38 38 THR H H 8.741 0.01 . 292 38 38 THR HA H 4.416 0.01 1 293 38 38 THR HB H 3.735 0.01 1 294 38 38 THR HG2 H 1.121 0.01 . 295 38 38 THR CA C 61.737 0.1 1 296 38 38 THR CB C 71.358 0.1 1 297 38 38 THR CG2 C 21.909 0.1 1 298 38 38 THR N N 116.168 0.01 1 299 39 39 VAL H H 9.170 0.01 . 300 39 39 VAL HA H 4.346 0.01 1 301 39 39 VAL HB H 1.824 0.01 1 302 39 39 VAL HG1 H 0.719 0.01 2 303 39 39 VAL HG2 H 0.541 0.01 2 304 39 39 VAL CA C 61.862 0.1 1 305 39 39 VAL CB C 31.384 0.1 1 306 39 39 VAL CG1 C 22.263 0.1 2 307 39 39 VAL N N 128.260 0.01 1 308 40 40 LEU H H 9.207 0.01 . 309 40 40 LEU HA H 4.834 0.01 . 310 40 40 LEU HB2 H 1.650 0.01 . 311 40 40 LEU HB3 H 0.785 0.01 . 312 40 40 LEU HD1 H 0.430 0.01 . 313 40 40 LEU HD2 H 0.655 0.01 . 314 40 40 LEU CA C 53.307 0.1 . 315 40 40 LEU CB C 45.331 0.1 . 316 40 40 LEU CD1 C 25.963 0.1 . 317 40 40 LEU CD2 C 25.963 0.1 . 318 40 40 LEU N N 124.717 0.01 . 319 41 41 VAL H H 8.792 0.01 . 320 41 41 VAL HA H 4.161 0.01 1 321 41 41 VAL HB H 1.745 0.01 1 322 41 41 VAL HG1 H 0.954 0.01 2 323 41 41 VAL HG2 H 0.764 0.01 2 324 41 41 VAL CA C 61.850 0.1 1 325 41 41 VAL CB C 34.149 0.1 1 326 41 41 VAL CG1 C 22.355 0.1 2 327 41 41 VAL CG2 C 22.355 0.1 2 328 41 41 VAL N N 123.384 0.01 1 329 42 42 ASP H H 9.191 0.01 . 330 42 42 ASP HA H 4.222 0.01 1 331 42 42 ASP HB2 H 2.997 0.01 2 332 42 42 ASP HB3 H 2.506 0.01 2 333 42 42 ASP CA C 55.492 0.1 1 334 42 42 ASP CB C 39.897 0.1 1 335 42 42 ASP N N 129.277 0.01 1 336 43 43 GLY H H 8.695 0.01 . 337 43 43 GLY HA2 H 4.108 0.01 2 338 43 43 GLY HA3 H 3.475 0.01 2 339 43 43 GLY CA C 45.634 0.1 1 340 43 43 GLY N N 101.704 0.01 1 341 44 44 ARG H H 7.855 0.01 . 342 44 44 ARG CA C 52.732 0.1 . 343 44 44 ARG CB C 31.931 0.1 . 344 44 44 ARG N N 121.347 0.01 . 345 45 45 PRO CD C 50.546 0.1 . 346 45 45 PRO CG C 27.523 0.1 . 347 46 46 VAL H H 8.398 0.01 . 348 46 46 VAL N N 118.948 0.01 1 349 47 47 PRO HA H 4.510 0.01 1 350 47 47 PRO HB2 H 2.407 0.01 2 351 47 47 PRO HB3 H 2.407 0.01 2 352 47 47 PRO HD2 H 3.853 0.01 2 353 47 47 PRO HD3 H 3.853 0.01 2 354 47 47 PRO HG2 H 2.021 0.01 2 355 47 47 PRO HG3 H 2.021 0.01 2 356 47 47 PRO CA C 62.258 0.1 1 357 47 47 PRO CG C 28.230 0.1 1 358 48 48 GLU H H 8.792 0.01 . 359 48 48 GLU HA H 4.093 0.01 1 360 48 48 GLU HB2 H 2.163 0.01 2 361 48 48 GLU HB3 H 1.970 0.01 2 362 48 48 GLU HG2 H 2.275 0.01 2 363 48 48 GLU HG3 H 2.275 0.01 2 364 48 48 GLU CA C 58.892 0.1 1 365 48 48 GLU CB C 28.841 0.1 1 366 48 48 GLU CG C 35.337 0.1 1 367 48 48 GLU N N 119.816 0.01 1 368 49 49 ASP H H 8.208 0.01 . 369 49 49 ASP HA H 4.763 0.01 1 370 49 49 ASP HB2 H 2.797 0.01 2 371 49 49 ASP HB3 H 2.738 0.01 2 372 49 49 ASP CA C 53.298 0.1 1 373 49 49 ASP CB C 40.175 0.1 1 374 49 49 ASP N N 114.268 0.01 1 375 50 50 GLN H H 7.513 0.01 . 376 50 50 GLN HA H 4.360 0.01 1 377 50 50 GLN HB2 H 2.440 0.01 2 378 50 50 GLN HB3 H 2.187 0.01 2 379 50 50 GLN HG2 H 2.688 0.01 2 380 50 50 GLN HG3 H 2.688 0.01 2 381 50 50 GLN CA C 55.728 0.1 1 382 50 50 GLN CB C 30.067 0.1 1 383 50 50 GLN CG C 34.830 0.1 1 384 50 50 GLN N N 119.976 0.01 1 385 51 51 SER H H 8.258 0.01 . 386 51 51 SER HA H 4.185 0.01 1 387 51 51 SER HB2 H 3.798 0.01 2 388 51 51 SER HB3 H 3.631 0.01 2 389 51 51 SER CA C 59.059 0.1 1 390 51 51 SER CB C 63.410 0.1 1 391 51 51 SER N N 117.530 0.01 1 392 52 52 VAL H H 7.622 0.01 . 393 52 52 VAL HA H 2.856 0.01 1 394 52 52 VAL HB H 1.555 0.01 1 395 52 52 VAL HG1 H 0.817 0.01 2 396 52 52 VAL HG2 H 0.127 0.01 2 397 52 52 VAL CA C 64.016 0.1 1 398 52 52 VAL CB C 30.878 0.1 1 399 52 52 VAL CG1 C 22.039 0.01 2 400 52 52 VAL CG2 C 22.039 0.01 2 401 52 52 VAL N N 121.867 0.01 1 402 53 53 GLU H H 7.650 0.01 . 403 53 53 GLU HA H 4.575 0.01 1 404 53 53 GLU HB2 H 2.194 0.01 2 405 53 53 GLU HB3 H 1.879 0.01 2 406 53 53 GLU HG2 H 2.306 0.01 2 407 53 53 GLU HG3 H 2.306 0.01 2 408 53 53 GLU CA C 55.827 0.1 1 409 53 53 GLU CB C 32.497 0.1 1 410 53 53 GLU CG C 36.522 0.1 1 411 53 53 GLU N N 124.417 0.01 1 412 54 54 VAL H H 6.999 0.01 . 413 54 54 VAL HA H 4.784 0.01 1 414 54 54 VAL HB H 2.461 0.01 1 415 54 54 VAL HG1 H 1.038 0.01 2 416 54 54 VAL HG2 H 1.038 0.01 2 417 54 54 VAL CA C 59.613 0.1 1 418 54 54 VAL CB C 35.840 0.1 1 419 54 54 VAL CG1 C 22.029 0.1 2 420 54 54 VAL CG2 C 19.046 0.1 2 421 54 54 VAL N N 111.438 0.01 1 422 55 55 ASP H H 8.035 0.01 . 423 55 55 ASP HA H 4.683 0.01 1 424 55 55 ASP HB2 H 3.174 0.01 2 425 55 55 ASP HB3 H 2.587 0.01 2 426 55 55 ASP CA C 53.520 0.1 1 427 55 55 ASP CB C 41.095 0.1 1 428 55 55 ASP N N 114.609 0.01 1 429 56 56 ARG H H 7.217 0.01 . 430 56 56 ARG HA H 5.440 0.01 1 431 56 56 ARG HB2 H 1.787 0.01 2 432 56 56 ARG HB3 H 1.787 0.01 2 433 56 56 ARG HD2 H 3.173 0.01 2 434 56 56 ARG HD3 H 3.173 0.01 2 435 56 56 ARG HG2 H 1.536 0.01 2 436 56 56 ARG HG3 H 1.536 0.01 2 437 56 56 ARG CA C 55.547 0.1 1 438 56 56 ARG CB C 32.670 0.1 1 439 56 56 ARG CD C 43.382 0.1 1 440 56 56 ARG N N 120.106 0.01 1 441 57 57 VAL H H 8.539 0.01 . 442 57 57 VAL HA H 4.822 0.01 1 443 57 57 VAL CA C 59.030 0.1 1 444 57 57 VAL CB C 35.889 0.1 1 445 57 57 VAL CG1 C 21.494 0.1 2 446 57 57 VAL CG2 C 21.494 0.1 2 447 57 57 VAL N N 115.730 0.01 1 448 58 58 LYS H H 8.161 0.01 . 449 58 58 LYS HA H 5.397 0.01 1 450 58 58 LYS HB2 H 1.565 0.01 2 451 58 58 LYS HB3 H 1.565 0.01 2 452 58 58 LYS HE2 H 2.858 0.01 2 453 58 58 LYS HE3 H 2.858 0.01 2 454 58 58 LYS HG2 H 1.296 0.01 2 455 58 58 LYS HG3 H 1.296 0.01 2 456 58 58 LYS CA C 54.915 0.1 1 457 58 58 LYS CB C 36.402 0.1 1 458 58 58 LYS CG C 26.123 0.1 1 459 58 58 LYS N N 121.223 0.01 1 460 59 59 VAL H H 9.208 0.01 . 461 59 59 VAL HA H 4.618 0.01 1 462 59 59 VAL HB H 1.812 0.01 1 463 59 59 VAL HG1 H 0.681 0.01 2 464 59 59 VAL HG2 H 0.681 0.01 2 465 59 59 VAL CA C 61.020 0.1 1 466 59 59 VAL CB C 34.267 0.1 1 467 59 59 VAL CG1 C 21.874 0.1 2 468 59 59 VAL CG2 C 21.874 0.1 2 469 59 59 VAL N N 122.001 0.01 1 470 60 60 LEU H H 9.008 0.01 . 471 60 60 LEU HA H 4.729 0.01 1 472 60 60 LEU HB2 H 1.631 0.01 2 473 60 60 LEU HB3 H 1.340 0.01 2 474 60 60 LEU HD1 H 0.792 0.01 2 475 60 60 LEU HD2 H 0.792 0.01 2 476 60 60 LEU CA C 52.925 0.1 1 477 60 60 LEU CB C 44.474 0.1 1 478 60 60 LEU CG C 24.518 0.1 1 479 60 60 LEU N N 128.285 0.01 1 480 61 61 ARG H H 8.938 0.01 . 481 61 61 ARG HA H 4.156 0.01 1 482 61 61 ARG HB2 H 1.824 0.01 2 483 61 61 ARG HB3 H 1.824 0.01 2 484 61 61 ARG HD2 H 3.138 0.01 2 485 61 61 ARG HD3 H 3.138 0.01 2 486 61 61 ARG HG2 H 1.597 0.01 2 487 61 61 ARG HG3 H 1.597 0.01 2 488 61 61 ARG CA C 57.250 0.1 1 489 61 61 ARG CB C 30.527 0.1 1 490 61 61 ARG CD C 43.265 0.1 1 491 61 61 ARG CG C 27.311 0.1 1 492 61 61 ARG N N 124.219 0.01 1 493 62 62 LEU H H 8.020 0.01 . 494 62 62 LEU N N 119.967 0.01 1 495 63 63 ILE H H 8.113 0.01 . 496 63 63 ILE HA H 4.141 0.01 1 497 63 63 ILE HB H 1.768 0.01 1 498 63 63 ILE HD1 H 0.838 0.01 1 499 63 63 ILE HG12 H 1.388 0.01 2 500 63 63 ILE HG13 H 1.125 0.01 2 501 63 63 ILE CA C 60.478 0.1 1 502 63 63 ILE CB C 38.708 0.1 1 503 63 63 ILE CD1 C 12.398 0.1 1 504 63 63 ILE CG1 C 27.316 0.1 1 505 63 63 ILE CG2 C 17.282 0.1 1 506 63 63 ILE N N 122.210 0.01 1 507 64 64 LYS H H 8.493 0.01 . 508 64 64 LYS HA H 4.266 0.01 1 509 64 64 LYS HB2 H 1.736 0.01 2 510 64 64 LYS HB3 H 1.736 0.01 2 511 64 64 LYS HE2 H 2.935 0.01 2 512 64 64 LYS HE3 H 2.935 0.01 2 513 64 64 LYS HG2 H 1.363 0.01 2 514 64 64 LYS HG3 H 1.363 0.01 2 515 64 64 LYS CA C 56.344 0.1 1 516 64 64 LYS CB C 32.956 0.1 1 517 64 64 LYS CD C 28.986 0.1 1 518 64 64 LYS CG C 24.543 0.1 1 519 64 64 LYS N N 125.986 0.01 1 520 65 65 GLY H H 8.498 0.01 . 521 65 65 GLY CA C 45.387 0.1 1 522 65 65 GLY N N 110.887 0.01 1 523 66 66 GLY H H 8.371 0.01 . 524 66 66 GLY CA C 45.343 0.1 1 525 66 66 GLY N N 109.065 0.01 1 stop_ save_