data_26664 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; UBXD1 ; _BMRB_accession_number 26664 _BMRB_flat_file_name bmr26664.str _Entry_type original _Submission_date 2015-09-19 _Accession_date 2015-09-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'backbone assignment of UBXD1 1-120 aa' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Trusch Franziska . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 178 "13C chemical shifts" 196 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-08 update BMRB 'update entry citation' 2015-11-09 original author 'original release' stop_ _Original_release_date 2015-11-09 save_ ############################# # Citation for this entry # ############################# save_Trusch_et_al. _Saveframe_category entry_citation _Citation_full . _Citation_title ; The N-terminal Region of the UBX Domain-containing Protein 1 (UBXD1) Modulates Interdomain Communication within the Valosin-containing Protein p97 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26475856 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Trusch Franziska . . 2 Matena Anja . . 3 Vuk Maja . . 4 Koerver Lisa . . 5 Knaevelsrud Helene . . 6 Freemont Paul S. . 7 Meyer Hemmo . . 8 Bayer Peter . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 29414 _Page_last 29427 _Year 2015 _Details . loop_ _Keyword ATPase UBXD1 endosome 'nuclear magnetic resonance (NMR)' p97 'protein structure' 'protein-protein interaction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UBXD1-N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBXD1-N $UBXD1-N stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UBXD1-N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UBXD1-N _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MKKFFQEFKADIKFKSAGPG QKLKESVGEKAHKEKPNQPA PRPPRQGPTNEAQMAAAAAL ARLEQKQSRAWGPTSQDTIR NQVRKELQAEATVSGSPEAP GTNVVSEPREEGSAHLAVPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 LYS 4 4 PHE 5 5 PHE 6 6 GLN 7 7 GLU 8 8 PHE 9 9 LYS 10 10 ALA 11 11 ASP 12 12 ILE 13 13 LYS 14 14 PHE 15 15 LYS 16 16 SER 17 17 ALA 18 18 GLY 19 19 PRO 20 20 GLY 21 21 GLN 22 22 LYS 23 23 LEU 24 24 LYS 25 25 GLU 26 26 SER 27 27 VAL 28 28 GLY 29 29 GLU 30 30 LYS 31 31 ALA 32 32 HIS 33 33 LYS 34 34 GLU 35 35 LYS 36 36 PRO 37 37 ASN 38 38 GLN 39 39 PRO 40 40 ALA 41 41 PRO 42 42 ARG 43 43 PRO 44 44 PRO 45 45 ARG 46 46 GLN 47 47 GLY 48 48 PRO 49 49 THR 50 50 ASN 51 51 GLU 52 52 ALA 53 53 GLN 54 54 MET 55 55 ALA 56 56 ALA 57 57 ALA 58 58 ALA 59 59 ALA 60 60 LEU 61 61 ALA 62 62 ARG 63 63 LEU 64 64 GLU 65 65 GLN 66 66 LYS 67 67 GLN 68 68 SER 69 69 ARG 70 70 ALA 71 71 TRP 72 72 GLY 73 73 PRO 74 74 THR 75 75 SER 76 76 GLN 77 77 ASP 78 78 THR 79 79 ILE 80 80 ARG 81 81 ASN 82 82 GLN 83 83 VAL 84 84 ARG 85 85 LYS 86 86 GLU 87 87 LEU 88 88 GLN 89 89 ALA 90 90 GLU 91 91 ALA 92 92 THR 93 93 VAL 94 94 SER 95 95 GLY 96 96 SER 97 97 PRO 98 98 GLU 99 99 ALA 100 100 PRO 101 101 GLY 102 102 THR 103 103 ASN 104 104 VAL 105 105 VAL 106 106 SER 107 107 GLU 108 108 PRO 109 109 ARG 110 110 GLU 111 111 GLU 112 112 GLY 113 113 SER 114 114 ALA 115 115 HIS 116 116 LEU 117 117 ALA 118 118 VAL 119 119 PRO 120 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UBXD1-N 'E. coli' 562 Eubacteria . 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 $UBXD1-N 'recombinant technology' . Escherichia coli . pET41b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_UBXD1-N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBXD1-N 250 uM '[U-13C; U-15N]' 'potassium phosphate buffer' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Auremol _Saveframe_category software _Name Auremol _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $UBXD1-N_sample save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $UBXD1-N_sample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $UBXD1-N_sample save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $UBXD1-N_sample save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $UBXD1-N_sample save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $UBXD1-N_sample save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $UBXD1-N_sample save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $UBXD1-N_sample save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $UBXD1-N_sample save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $UBXD1-N_sample save_ ####################### # Sample conditions # ####################### save_UBXD1-N_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.050 . M pH 6.5 . pH temperature 273 . 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_UBXD1_assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Auremol stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HCACO' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $UBXD1-N_sample stop_ _Sample_conditions_label $UBXD1-N_condition _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UBXD1-N _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 CA C 54.929 0.45 1 2 2 2 LYS H H 8.078 0.04 1 3 2 2 LYS HA H 4.186 0.04 1 4 2 2 LYS C C 180.908 0.45 1 5 2 2 LYS CA C 53.321 0.45 1 6 2 2 LYS N N 123.898 0.45 1 7 3 3 LYS H H 8.284 0.04 1 8 3 3 LYS HA H 4.214 0.04 1 9 3 3 LYS CA C 53.61 0.45 1 10 3 3 LYS N N 122.165 0.45 1 11 4 4 PHE H H 8.133 0.04 1 12 4 4 PHE HA H 4.554 0.04 1 13 4 4 PHE C C 177.467 0.45 1 14 4 4 PHE CA C 54.693 0.45 1 15 4 4 PHE N N 121.211 0.45 1 16 5 5 PHE H H 8.059 0.04 1 17 5 5 PHE HA H 4.212 0.04 1 18 5 5 PHE C C 178.868 0.45 1 19 5 5 PHE CA C 54.958 0.45 1 20 5 5 PHE N N 121.971 0.45 1 21 6 6 GLN CA C 52.853 0.45 1 22 7 7 GLU H H 8.253 0.04 1 23 7 7 GLU CA C 53.539 0.45 1 24 7 7 GLU N N 122.603 0.45 1 25 8 8 PHE H H 8.248 0.04 1 26 8 8 PHE C C 178.868 0.45 1 27 8 8 PHE CA C 54.912 0.45 1 28 8 8 PHE N N 121.89 0.45 1 29 9 9 LYS C C 177.365 0.45 1 30 9 9 LYS CA C 53.602 0.45 1 31 10 10 ALA H H 8.129 0.04 1 32 10 10 ALA HA H 4.192 0.04 1 33 10 10 ALA C C 178.348 0.45 1 34 10 10 ALA CA C 49.854 0.45 1 35 10 10 ALA N N 124.357 0.45 1 36 11 11 ASP H H 8.236 0.04 1 37 11 11 ASP HA H 4.497 0.04 1 38 11 11 ASP CA C 51.573 0.45 1 39 11 11 ASP N N 119.841 0.45 1 40 12 12 ILE H H 7.92 0.04 1 41 12 12 ILE HA H 4.097 0.04 1 42 12 12 ILE C C 178.918 0.45 1 43 12 12 ILE CA C 58.842 0.45 1 44 12 12 ILE N N 121.246 0.45 1 45 13 13 LYS H H 8.218 0.04 1 46 13 13 LYS HA H 4.22 0.04 1 47 13 13 LYS C C 177.327 0.45 1 48 13 13 LYS CA C 53.708 0.45 1 49 13 13 LYS N N 124.282 0.45 1 50 14 14 PHE H H 8.035 0.04 1 51 14 14 PHE HA H 4.306 0.04 1 52 14 14 PHE C C 177.467 0.45 1 53 14 14 PHE CA C 55.024 0.45 1 54 14 14 PHE N N 120.701 0.45 1 55 15 15 LYS CA C 53.683 0.45 1 56 16 16 SER H H 8.345 0.04 1 57 16 16 SER HA H 4.41 0.04 1 58 16 16 SER C C 178.262 0.45 1 59 16 16 SER CA C 55.525 0.45 1 60 16 16 SER N N 117.339 0.45 1 61 17 17 ALA H H 8.293 0.04 1 62 17 17 ALA HA H 4.21 0.04 1 63 17 17 ALA C C 179.194 0.45 1 64 17 17 ALA CA C 49.852 0.45 1 65 17 17 ALA N N 126.046 0.45 1 66 18 18 GLY H H 8.136 0.04 1 67 18 18 GLY HA3 H 4.044 0.04 2 68 18 18 GLY C C 177.006 0.45 1 69 18 18 GLY CA C 41.892 0.45 1 70 18 18 GLY N N 108.248 0.45 1 71 19 19 PRO CA C 60.965 0.45 1 72 20 20 GLY H H 8.489 0.04 1 73 20 20 GLY HA3 H 3.902 0.04 2 74 20 20 GLY C C 176.783 0.45 1 75 20 20 GLY CA C 42.68 0.45 1 76 20 20 GLY N N 109.292 0.45 1 77 21 21 GLN H H 8.042 0.04 1 78 21 21 GLN HA H 4.254 0.04 1 79 21 21 GLN C C 180.474 0.45 1 80 21 21 GLN CA C 53.199 0.45 1 81 21 21 GLN N N 119.805 0.45 1 82 22 22 LYS H H 8.287 0.04 1 83 22 22 LYS C C 178.768 0.45 1 84 22 22 LYS CA C 53.682 0.45 1 85 22 22 LYS N N 122.629 0.45 1 86 23 23 LEU H H 8.203 0.04 1 87 23 23 LEU C C 178.17 0.45 1 88 23 23 LEU CA C 52.833 0.45 1 89 23 23 LEU N N 123.72 0.45 1 90 24 24 LYS H H 8.236 0.04 1 91 24 24 LYS HA H 4.213 0.04 1 92 24 24 LYS C C 177.365 0.45 1 93 24 24 LYS CA C 53.651 0.45 1 94 24 24 LYS N N 122.297 0.45 1 95 25 25 GLU H H 8.355 0.04 1 96 25 25 GLU HA H 4.236 0.04 1 97 25 25 GLU C C 178.225 0.45 1 98 25 25 GLU CA C 53.871 0.45 1 99 25 25 GLU N N 122.151 0.45 1 100 26 26 SER CA C 55.406 0.45 1 101 27 27 VAL H H 8.138 0.04 1 102 27 27 VAL HA H 4.102 0.04 1 103 27 27 VAL C C 180.083 0.45 1 104 27 27 VAL CA C 59.855 0.45 1 105 27 27 VAL N N 121.535 0.45 1 106 28 28 GLY H H 8.369 0.04 1 107 28 28 GLY HA3 H 3.905 0.04 2 108 28 28 GLY C C 177.974 0.45 1 109 28 28 GLY CA C 42.493 0.45 1 110 28 28 GLY N N 111.874 0.45 1 111 29 29 GLU H H 8.2 0.04 1 112 29 29 GLU HA H 4.194 0.04 1 113 29 29 GLU C C 180.492 0.45 1 114 29 29 GLU CA C 52.848 0.45 1 115 29 29 GLU N N 121.015 0.45 1 116 30 30 LYS H H 8.2 0.04 1 117 30 30 LYS HA H 4.213 0.04 1 118 30 30 LYS C C 179.65 0.45 1 119 30 30 LYS CA C 53.685 0.45 1 120 30 30 LYS N N 122.967 0.45 1 121 34 34 GLU CA C 53.596 0.45 1 122 35 35 LYS H H 8.342 0.04 1 123 35 35 LYS HA H 4.507 0.04 1 124 35 35 LYS C C 178.553 0.45 1 125 35 35 LYS CA C 51.584 0.45 1 126 35 35 LYS N N 123.755 0.45 1 127 36 36 PRO CA C 60.534 0.45 1 128 37 37 ASN H H 8.498 0.04 1 129 37 37 ASN HA H 4.579 0.04 1 130 37 37 ASN C C 177.976 0.45 1 131 37 37 ASN CA C 50.584 0.45 1 132 37 37 ASN N N 118.776 0.45 1 133 38 38 GLN H H 8.168 0.04 1 134 38 38 GLN HA H 4.572 0.04 1 135 38 38 GLN C C 179.91 0.45 1 136 38 38 GLN CA C 50.757 0.45 1 137 38 38 GLN N N 121.311 0.45 1 138 39 39 PRO CA C 60.151 0.45 1 139 40 40 ALA H H 8.337 0.04 1 140 40 40 ALA HA H 4.484 0.04 1 141 40 40 ALA C C 178.509 0.45 1 142 40 40 ALA CA C 47.663 0.45 1 143 40 40 ALA N N 125.839 0.45 1 144 41 41 PRO CA C 60.176 0.45 1 145 42 42 ARG H H 8.325 0.04 1 146 42 42 ARG HA H 4.529 0.04 1 147 42 42 ARG C C 178.086 0.45 1 148 42 42 ARG CA C 51.113 0.45 1 149 42 42 ARG N N 122.471 0.45 1 150 44 44 PRO CA C 60.72 0.45 1 151 45 45 ARG H H 8.337 0.04 1 152 45 45 ARG HA H 4.209 0.04 1 153 45 45 ARG C C 177.886 0.45 1 154 45 45 ARG CA C 53.565 0.45 1 155 45 45 ARG N N 121.091 0.45 1 156 46 46 GLN H H 8.396 0.04 1 157 46 46 GLN HA H 4.252 0.04 1 158 46 46 GLN C C 178.488 0.45 1 159 46 46 GLN CA C 53.436 0.45 1 160 46 46 GLN N N 122.027 0.45 1 161 47 47 GLY H H 8.282 0.04 1 162 47 47 GLY HA3 H 4.063 0.04 2 163 47 47 GLY C C 178.826 0.45 1 164 47 47 GLY CA C 41.831 0.45 1 165 47 47 GLY N N 110.817 0.45 1 166 48 48 PRO CA C 60.333 0.45 1 167 49 49 THR H H 8.265 0.04 1 168 49 49 THR HA H 4.34 0.04 1 169 49 49 THR C C 177.257 0.45 1 170 49 49 THR CA C 59.402 0.45 1 171 49 49 THR N N 114.021 0.45 1 172 50 50 ASN H H 8.418 0.04 1 173 50 50 ASN HA H 4.419 0.04 1 174 50 50 ASN CA C 51.181 0.45 1 175 50 50 ASN N N 120.645 0.45 1 176 51 51 GLU H H 8.534 0.04 1 177 51 51 GLU HA H 4.113 0.04 1 178 51 51 GLU CA C 56.257 0.45 1 179 51 51 GLU N N 121.306 0.45 1 180 52 52 ALA H H 8.25 0.04 1 181 52 52 ALA HA H 4.236 0.04 1 182 52 52 ALA C C 176.951 0.45 1 183 52 52 ALA CA C 51.608 0.45 1 184 52 52 ALA N N 123.713 0.45 1 185 53 53 GLN H H 8.183 0.04 1 186 53 53 GLN HA H 4.221 0.04 1 187 53 53 GLN C C 177.114 0.45 1 188 53 53 GLN CA C 54.995 0.45 1 189 53 53 GLN N N 119.217 0.45 1 190 54 54 MET CA C 54.764 0.45 1 191 55 55 ALA H H 8.166 0.04 1 192 55 55 ALA HA H 4.237 0.04 1 193 55 55 ALA C C 176.897 0.45 1 194 55 55 ALA CA C 51.503 0.45 1 195 55 55 ALA N N 123.946 0.45 1 196 56 56 ALA H H 8.024 0.04 1 197 56 56 ALA HA H 4.179 0.04 1 198 56 56 ALA C C 175.411 0.45 1 199 56 56 ALA CA C 51.498 0.45 1 200 56 56 ALA N N 122.456 0.45 1 201 57 57 ALA H H 7.993 0.04 1 202 57 57 ALA HA H 4.172 0.04 1 203 57 57 ALA C C 175.309 0.45 1 204 57 57 ALA CA C 51.536 0.45 1 205 57 57 ALA N N 121.642 0.45 1 206 58 58 ALA H H 8.006 0.04 1 207 58 58 ALA HA H 4.178 0.04 1 208 58 58 ALA C C 175.14 0.45 1 209 58 58 ALA CA C 51.468 0.45 1 210 58 58 ALA N N 122.048 0.45 1 211 59 59 ALA H H 7.858 0.04 1 212 59 59 ALA HA H 4.04 0.04 1 213 59 59 ALA C C 175.662 0.45 1 214 59 59 ALA CA C 51.465 0.45 1 215 59 59 ALA N N 121.318 0.45 1 216 60 60 LEU H H 7.779 0.04 1 217 60 60 LEU HA H 4.122 0.04 1 218 60 60 LEU C C 178.245 0.45 1 219 60 60 LEU CA C 53.918 0.45 1 220 60 60 LEU N N 119.723 0.45 1 221 61 61 ALA H H 7.832 0.04 1 222 61 61 ALA HA H 4.155 0.04 1 223 61 61 ALA C C 176.4 0.45 1 224 61 61 ALA CA C 51.137 0.45 1 225 61 61 ALA N N 122.234 0.45 1 226 62 62 ARG H H 7.773 0.04 1 227 62 62 ARG HA H 4.135 0.04 1 228 62 62 ARG C C 175.806 0.45 1 229 62 62 ARG CA C 54.828 0.45 1 230 62 62 ARG N N 117.945 0.45 1 231 63 63 LEU H H 7.814 0.04 1 232 63 63 LEU HA H 4.16 0.04 1 233 63 63 LEU C C 177.419 0.45 1 234 63 63 LEU CA C 53.545 0.45 1 235 63 63 LEU N N 121.475 0.45 1 236 64 64 GLU H H 8.155 0.04 1 237 64 64 GLU HA H 4.161 0.04 1 238 64 64 GLU CA C 54.7 0.45 1 239 64 64 GLU N N 120.291 0.45 1 240 65 65 GLN H H 8.088 0.04 1 241 65 65 GLN HA H 4.194 0.04 1 242 65 65 GLN C C 177.522 0.45 1 243 65 65 GLN CA C 53.859 0.45 1 244 65 65 GLN N N 120.347 0.45 1 245 66 66 LYS CA C 54.279 0.45 1 246 67 67 GLN H H 8.248 0.04 1 247 67 67 GLN HA H 4.227 0.04 1 248 67 67 GLN CA C 53.521 0.45 1 249 67 67 GLN N N 120.298 0.45 1 250 68 68 SER H H 8.194 0.04 1 251 68 68 SER HA H 4.314 0.04 1 252 68 68 SER C C 178.316 0.45 1 253 68 68 SER CA C 55.953 0.45 1 254 68 68 SER N N 116.746 0.45 1 255 69 69 ARG H H 8.195 0.04 1 256 69 69 ARG HA H 4.22 0.04 1 257 69 69 ARG C C 177.286 0.45 1 258 69 69 ARG CA C 54.507 0.45 1 259 69 69 ARG N N 120.484 0.45 1 260 70 70 ALA H H 8.099 0.04 1 261 70 70 ALA HA H 4.104 0.04 1 262 70 70 ALA C C 179.678 0.45 1 263 70 70 ALA CA C 49.73 0.45 1 264 70 70 ALA N N 124.644 0.45 1 265 71 71 TRP H H 7.983 0.04 1 266 71 71 TRP HA H 4.592 0.04 1 267 71 71 TRP C C 177.548 0.45 1 268 71 71 TRP CA C 54.557 0.45 1 269 71 71 TRP N N 120.372 0.45 1 270 72 72 GLY H H 7.904 0.04 1 271 72 72 GLY HA3 H 3.933 0.04 2 272 72 72 GLY C C 178.57 0.45 1 273 72 72 GLY CA C 41.985 0.45 1 274 72 72 GLY N N 110.682 0.45 1 275 73 73 PRO CA C 60.863 0.45 1 276 74 74 THR H H 8.23 0.04 1 277 74 74 THR HA H 4.386 0.04 1 278 74 74 THR C C 178.57 0.45 1 279 74 74 THR CA C 59.136 0.45 1 280 74 74 THR N N 113.236 0.45 1 281 75 75 SER H H 8.228 0.04 1 282 75 75 SER HA H 4.63 0.04 1 283 75 75 SER C C 177.497 0.45 1 284 75 75 SER CA C 56.158 0.45 1 285 75 75 SER N N 117.829 0.45 1 286 77 77 ASP CA C 52.329 0.45 1 287 78 78 THR H H 7.961 0.04 1 288 78 78 THR HA H 4.239 0.04 1 289 78 78 THR C C 178.404 0.45 1 290 78 78 THR CA C 60.135 0.45 1 291 78 78 THR N N 114.258 0.45 1 292 79 79 ILE H H 7.957 0.04 1 293 79 79 ILE HA H 4.016 0.04 1 294 79 79 ILE C C 179.968 0.45 1 295 79 79 ILE CA C 59.441 0.45 1 296 79 79 ILE N N 122.73 0.45 1 297 80 80 ARG H H 8.198 0.04 1 298 80 80 ARG HA H 4.19 0.04 1 299 80 80 ARG CA C 53.312 0.45 1 300 80 80 ARG N N 123.464 0.45 1 301 81 81 ASN H H 8.217 0.04 1 302 81 81 ASN HA H 4.617 0.04 1 303 81 81 ASN C C 177.147 0.45 1 304 81 81 ASN CA C 50.826 0.45 1 305 81 81 ASN N N 118.78 0.45 1 306 82 82 GLN CA C 53.176 0.45 1 307 83 83 VAL H H 8.081 0.04 1 308 83 83 VAL HA H 3.999 0.04 1 309 83 83 VAL C C 178.597 0.45 1 310 83 83 VAL CA C 60.005 0.45 1 311 83 83 VAL N N 121.485 0.45 1 312 84 84 ARG H H 8.286 0.04 1 313 84 84 ARG HA H 4.232 0.04 1 314 84 84 ARG C C 178.488 0.45 1 315 84 84 ARG CA C 53.43 0.45 1 316 84 84 ARG N N 124.942 0.45 1 317 85 85 LYS H H 8.321 0.04 1 318 85 85 LYS HA H 4.206 0.04 1 319 85 85 LYS CA C 53.984 0.45 1 320 85 85 LYS N N 123.496 0.45 1 321 86 86 GLU H H 8.522 0.04 1 322 86 86 GLU HA H 4.209 0.04 1 323 86 86 GLU C C 178.462 0.45 1 324 86 86 GLU CA C 54.153 0.45 1 325 86 86 GLU N N 121.72 0.45 1 326 87 87 LEU CA C 52.461 0.45 1 327 88 88 GLN H H 8.209 0.04 1 328 88 88 GLN HA H 4.221 0.04 1 329 88 88 GLN CA C 53.697 0.45 1 330 88 88 GLN N N 120.863 0.45 1 331 89 89 ALA H H 8.231 0.04 1 332 89 89 ALA HA H 4.134 0.04 1 333 89 89 ALA C C 180.122 0.45 1 334 89 89 ALA CA C 49.996 0.45 1 335 89 89 ALA N N 125.306 0.45 1 336 90 90 GLU H H 8.311 0.04 1 337 90 90 GLU HA H 3.748 0.04 1 338 90 90 GLU C C 176.972 0.45 1 339 90 90 GLU CA C 53.871 0.45 1 340 90 90 GLU N N 120.024 0.45 1 341 91 91 ALA H H 8.238 0.04 1 342 91 91 ALA HA H 4.135 0.04 1 343 91 91 ALA C C 178.477 0.45 1 344 91 91 ALA CA C 49.998 0.45 1 345 91 91 ALA N N 124.86 0.45 1 346 92 92 THR H H 8.067 0.04 1 347 92 92 THR HA H 4.334 0.04 1 348 92 92 THR C C 176.888 0.45 1 349 92 92 THR CA C 59.33 0.45 1 350 92 92 THR N N 113.837 0.45 1 351 93 93 VAL H H 8.124 0.04 1 352 93 93 VAL HA H 4.105 0.04 1 353 93 93 VAL C C 178.877 0.45 1 354 93 93 VAL CA C 59.573 0.45 1 355 93 93 VAL N N 122.436 0.45 1 356 94 94 SER H H 8.355 0.04 1 357 94 94 SER HA H 4.238 0.04 1 358 94 94 SER C C 178.54 0.45 1 359 94 94 SER CA C 55.839 0.45 1 360 94 94 SER N N 119.575 0.45 1 361 95 95 GLY H H 8.328 0.04 1 362 95 95 GLY HA3 H 3.947 0.04 2 363 95 95 GLY C C 179.773 0.45 1 364 95 95 GLY CA C 42.414 0.45 1 365 95 95 GLY N N 111.119 0.45 1 366 96 96 SER H H 8.145 0.04 1 367 96 96 SER HA H 4.728 0.04 1 368 96 96 SER C C 180.984 0.45 1 369 96 96 SER CA C 53.636 0.45 1 370 96 96 SER N N 116.862 0.45 1 371 97 97 PRO CA C 60.63 0.45 1 372 98 98 GLU H H 8.342 0.04 1 373 98 98 GLU HA H 4.185 0.04 1 374 98 98 GLU C C 177.005 0.45 1 375 98 98 GLU CA C 53.587 0.45 1 376 98 98 GLU N N 120.488 0.45 1 377 99 99 ALA H H 8.202 0.04 1 378 99 99 ALA HA H 4.532 0.04 1 379 99 99 ALA C C 178.841 0.45 1 380 99 99 ALA CA C 47.717 0.45 1 381 99 99 ALA N N 126.325 0.45 1 382 100 100 PRO CA C 60.791 0.45 1 383 101 101 GLY H H 8.431 0.04 1 384 101 101 GLY HA3 H 3.944 0.04 2 385 101 101 GLY C C 177.048 0.45 1 386 101 101 GLY CA C 42.551 0.45 1 387 101 101 GLY N N 109.133 0.45 1 388 102 102 THR H H 7.933 0.04 1 389 102 102 THR HA H 4.282 0.04 1 390 102 102 THR C C 180.32 0.45 1 391 102 102 THR CA C 59.407 0.45 1 392 102 102 THR N N 113.275 0.45 1 393 103 103 ASN H H 8.461 0.04 1 394 103 103 ASN HA H 4.691 0.04 1 395 103 103 ASN C C 180.463 0.45 1 396 103 103 ASN CA C 50.519 0.45 1 397 103 103 ASN N N 121.322 0.45 1 398 104 104 VAL H H 8.027 0.04 1 399 104 104 VAL HA H 4.07 0.04 1 400 104 104 VAL C C 179.95 0.45 1 401 104 104 VAL CA C 59.69 0.45 1 402 104 104 VAL N N 120.944 0.45 1 403 105 105 VAL H H 8.218 0.04 1 404 105 105 VAL HA H 4.134 0.04 1 405 105 105 VAL C C 178.662 0.45 1 406 105 105 VAL CA C 59.534 0.45 1 407 105 105 VAL N N 124.663 0.45 1 408 106 106 SER H H 8.309 0.04 1 409 106 106 SER HA H 4.187 0.04 1 410 106 106 SER C C 178.736 0.45 1 411 106 106 SER CA C 55.433 0.45 1 412 106 106 SER N N 120.239 0.45 1 413 107 107 GLU H H 8.293 0.04 1 414 107 107 GLU HA H 4.528 0.04 1 415 107 107 GLU C C 180.822 0.45 1 416 107 107 GLU CA C 51.674 0.45 1 417 107 107 GLU N N 124.234 0.45 1 418 108 108 PRO CA C 60.567 0.45 1 419 109 109 ARG H H 8.385 0.04 1 420 109 109 ARG HA H 4.288 0.04 1 421 109 109 ARG C C 177.912 0.45 1 422 109 109 ARG CA C 53.038 0.45 1 423 109 109 ARG N N 121.667 0.45 1 424 110 110 GLU H H 8.443 0.04 1 425 110 110 GLU HA H 4.233 0.04 1 426 110 110 GLU C C 178.501 0.45 1 427 110 110 GLU CA C 53.497 0.45 1 428 110 110 GLU N N 122.6 0.45 1 429 111 111 GLU H H 8.53 0.04 1 430 111 111 GLU HA H 4.228 0.04 1 431 111 111 GLU C C 178.177 0.45 1 432 111 111 GLU CA C 54.137 0.45 1 433 111 111 GLU N N 122.961 0.45 1 434 112 112 GLY H H 8.462 0.04 1 435 112 112 GLY HA3 H 3.947 0.04 2 436 112 112 GLY C C 177.547 0.45 1 437 112 112 GLY CA C 42.777 0.45 1 438 112 112 GLY N N 110.171 0.45 1 439 113 113 SER H H 8.115 0.04 1 440 113 113 SER HA H 4.368 0.04 1 441 113 113 SER C C 180.298 0.45 1 442 113 113 SER CA C 55.781 0.45 1 443 113 113 SER N N 115.29 0.45 1 444 114 114 ALA H H 8.25 0.04 1 445 114 114 ALA HA H 4.247 0.04 1 446 114 114 ALA C C 179.086 0.45 1 447 114 114 ALA CA C 49.84 0.45 1 448 114 114 ALA N N 125.574 0.45 1 449 115 115 HIS CA C 53.965 0.45 1 450 116 116 LEU H H 8.146 0.04 1 451 116 116 LEU HA H 4.227 0.04 1 452 116 116 LEU C C 180.205 0.45 1 453 116 116 LEU CA C 52.656 0.45 1 454 116 116 LEU N N 122.673 0.45 1 455 117 117 ALA H H 8.132 0.04 1 456 117 117 ALA HA H 4.257 0.04 1 457 117 117 ALA C C 178.081 0.45 1 458 117 117 ALA CA C 49.751 0.45 1 459 117 117 ALA N N 125.225 0.45 1 460 119 119 PRO CA C 60.888 0.45 1 461 120 120 GLY H H 8.295 0.04 1 462 120 120 GLY HA3 H 3.85 0.04 2 463 120 120 GLY C C 177.373 0.45 1 464 120 120 GLY CA C 42.592 0.45 1 465 120 120 GLY N N 109.077 0.45 1 stop_ save_