data_15123 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SeV Ntail(443-501) ; _BMRB_accession_number 15123 _BMRB_flat_file_name bmr15123.str _Entry_type original _Submission_date 2007-02-01 _Accession_date 2007-02-01 _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 Houben Klaartje . . 2 Marion Dominique . . 3 Tarbouriech Nicolas . . 4 Ruigrok Rob W.H. . 5 Blanchard Laurence . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 309 "13C chemical shifts" 162 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-02 update BMRB 'complete entry citation' 2007-05-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Interaction _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interaction of the C-terminal domains of sendai virus N and P proteins: comparison of polymerase-nucleocapsid interactions within the paramyxovirus family' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17459940 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Houben Klaartje . . 2 Marion Dominique . . 3 Tarbouriech Nicolas . . 4 Ruigrok Rob W.H. . 5 Blanchard Laurence . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_volume 81 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6807 _Page_last 6816 _Year 2007 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_random_sampling _Saveframe_category citation _Citation_full . _Citation_title 'Optimized 3D-NMR sampling for resonance assignment of partially unfolded proteins' _Citation_status 'in press' _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 Pannetier Nicolas . . 2 Houben Klaartje . . 3 Blanchard Laurence . . 4 Marion Dominique . . stop_ _Journal_abbreviation 'J. Magn. Reson.' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ntail _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ntail $SeV_nucleoprotein_Ntail 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_SeV_nucleoprotein_Ntail _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SeV_nucleoprotein_Ntail _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; GESGERWARQVSGGHFVTLH GAERLEEETNDEDVSDIERR IAMRLAERRQEDSATHGDE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 443 GLY 2 444 GLU 3 445 SER 4 446 GLY 5 447 GLU 6 448 ARG 7 449 TRP 8 450 ALA 9 451 ARG 10 452 GLN 11 453 VAL 12 454 SER 13 455 GLY 14 456 GLY 15 457 HIS 16 458 PHE 17 459 VAL 18 460 THR 19 461 LEU 20 462 HIS 21 463 GLY 22 464 ALA 23 465 GLU 24 466 ARG 25 467 LEU 26 468 GLU 27 469 GLU 28 470 GLU 29 471 THR 30 472 ASN 31 473 ASP 32 474 GLU 33 475 ASP 34 476 VAL 35 477 SER 36 478 ASP 37 479 ILE 38 480 GLU 39 481 ARG 40 482 ARG 41 483 ILE 42 484 ALA 43 485 MET 44 486 ARG 45 487 LEU 46 488 ALA 47 489 GLU 48 490 ARG 49 491 ARG 50 492 GLN 51 493 GLU 52 494 ASP 53 495 SER 54 496 ALA 55 497 THR 56 498 HIS 57 499 GLY 58 500 ASP 59 501 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 DBJ BAD74219 "nucleoprotein [Sendai virus]" 100.00 524 98.31 100.00 4.45e-30 DBJ BAD74225 "nucleoprotein [Sendai virus]" 100.00 524 98.31 100.00 4.45e-30 DBJ BAF73479 "nucleoprotein [Sendai virus]" 100.00 524 98.31 100.00 4.45e-30 DBJ BAF73485 "nucleoprotein [Sendai virus]" 100.00 524 98.31 100.00 4.45e-30 DBJ BAH59027 "nucleocapsid protein [Sendai virus]" 100.00 524 98.31 100.00 4.45e-30 EMBL CAA24945 "unnamed protein product [Human parainfluenza virus 1]" 86.44 517 98.04 100.00 1.74e-24 EMBL CAA35092 "nucleocapsid protein [Human parainfluenza virus 1]" 100.00 524 100.00 100.00 1.65e-30 EMBL CAA35715 "nucleocapsid protein [Human parainfluenza virus 1]" 100.00 524 98.31 100.00 4.32e-30 GB AAB06278 "nucleoprotein [Sendai virus]" 100.00 524 98.31 100.00 3.98e-30 GB AAB06284 "nucleoprotein [Sendai virus]" 100.00 524 98.31 100.00 3.98e-30 GB AAB06290 "nucleoprotein [Sendai virus]" 100.00 524 98.31 100.00 3.98e-30 SP P04857 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NP; Short=Protein N" 84.75 517 100.00 100.00 2.94e-24 SP P04858 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NP; Short=Protein N" 86.44 517 98.04 100.00 1.74e-24 SP Q07097 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NP; Short=Protein N" 100.00 524 100.00 100.00 1.65e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SeV_nucleoprotein_Ntail Respirovirus 186938 Viruses . Respirovirus . 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 $SeV_nucleoprotein_Ntail 'recombinant technology' . Escherichia coli . pET-TEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SeV_nucleoprotein_Ntail 1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 500 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _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 $13C_15N save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C_15N save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . M pH 6.0 . 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 CBCA(CO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' stop_ loop_ _Sample_label $13C_15N stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Ntail _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 1 443 1 GLY HA2 H 3.89 0.02 1 2 443 1 GLY HA3 H 3.89 0.02 1 3 443 1 GLY CA C 43.42 0.15 1 4 444 2 GLU H H 8.70 0.02 1 5 444 2 GLU HA H 4.39 0.02 1 6 444 2 GLU HB2 H 1.93 0.02 2 7 444 2 GLU HB3 H 2.08 0.02 2 8 444 2 GLU HG2 H 2.28 0.02 1 9 444 2 GLU HG3 H 2.28 0.02 1 10 444 2 GLU CA C 56.55 0.15 1 11 444 2 GLU CB C 30.47 0.15 1 12 444 2 GLU CG C 36.05 0.15 1 13 444 2 GLU N N 120.78 0.15 1 14 445 3 SER H H 8.59 0.02 1 15 445 3 SER HA H 4.45 0.02 1 16 445 3 SER HB2 H 3.88 0.02 2 17 445 3 SER HB3 H 3.92 0.02 2 18 445 3 SER CA C 58.75 0.15 1 19 445 3 SER CB C 63.85 0.15 1 20 445 3 SER N N 117.24 0.15 1 21 446 4 GLY H H 8.48 0.02 1 22 446 4 GLY HA2 H 3.99 0.02 1 23 446 4 GLY HA3 H 3.99 0.02 1 24 446 4 GLY CA C 45.48 0.15 1 25 446 4 GLY N N 111.09 0.15 1 26 447 5 GLU H H 8.25 0.02 1 27 447 5 GLU HA H 4.21 0.02 1 28 447 5 GLU HB2 H 1.86 0.02 2 29 447 5 GLU HB3 H 1.90 0.02 2 30 447 5 GLU HG2 H 2.23 0.02 1 31 447 5 GLU HG3 H 2.23 0.02 1 32 447 5 GLU CA C 56.91 0.15 1 33 447 5 GLU CB C 30.01 0.15 1 34 447 5 GLU CG C 36.11 0.15 1 35 447 5 GLU N N 120.80 0.15 1 36 448 6 ARG H H 8.30 0.02 1 37 448 6 ARG HA H 4.14 0.02 1 38 448 6 ARG HB2 H 1.64 0.02 1 39 448 6 ARG HB3 H 1.64 0.02 1 40 448 6 ARG HG2 H 1.39 0.02 1 41 448 6 ARG HG3 H 1.39 0.02 1 42 448 6 ARG HD2 H 3.06 0.02 1 43 448 6 ARG HD3 H 3.06 0.02 1 44 448 6 ARG HE H 7.11 0.02 1 45 448 6 ARG CA C 57.09 0.15 1 46 448 6 ARG CB C 30.44 0.15 1 47 448 6 ARG CG C 26.83 0.15 1 48 448 6 ARG CD C 43.35 0.15 1 49 448 6 ARG N N 121.53 0.15 1 50 448 6 ARG NE N 84.97 0.15 1 51 449 7 TRP H H 7.96 0.02 1 52 449 7 TRP HA H 4.66 0.02 1 53 449 7 TRP HB2 H 3.22 0.02 2 54 449 7 TRP HB3 H 3.33 0.02 2 55 449 7 TRP HE1 H 10.13 0.02 1 56 449 7 TRP CA C 57.26 0.15 1 57 449 7 TRP CB C 29.47 0.15 1 58 449 7 TRP N N 120.67 0.15 1 59 449 7 TRP NE1 N 129.50 0.15 1 60 450 8 ALA H H 7.97 0.02 1 61 450 8 ALA HA H 4.22 0.02 1 62 450 8 ALA HB H 1.30 0.02 1 63 450 8 ALA CA C 52.78 0.15 1 64 450 8 ALA CB C 19.28 0.15 1 65 450 8 ALA N N 124.56 0.15 1 66 451 9 ARG H H 8.06 0.02 1 67 451 9 ARG HA H 4.24 0.02 1 68 451 9 ARG HB2 H 1.82 0.02 2 69 451 9 ARG HB3 H 1.74 0.02 2 70 451 9 ARG HG2 H 1.59 0.02 2 71 451 9 ARG HG3 H 1.62 0.02 2 72 451 9 ARG HD2 H 3.15 0.02 1 73 451 9 ARG HD3 H 3.15 0.02 1 74 451 9 ARG HE H 7.22 0.02 1 75 451 9 ARG CA C 56.40 0.15 1 76 451 9 ARG CB C 30.82 0.15 1 77 451 9 ARG CG C 27.12 0.15 1 78 451 9 ARG CD C 43.45 0.15 1 79 451 9 ARG N N 119.46 0.15 1 80 451 9 ARG NE N 84.92 0.15 1 81 452 10 GLN H H 8.32 0.02 1 82 452 10 GLN HA H 4.34 0.02 1 83 452 10 GLN HB2 H 1.99 0.02 2 84 452 10 GLN HB3 H 2.09 0.02 2 85 452 10 GLN HG2 H 2.34 0.02 1 86 452 10 GLN HG3 H 2.34 0.02 1 87 452 10 GLN HE21 H 7.45 0.02 2 88 452 10 GLN HE22 H 6.83 0.02 2 89 452 10 GLN CA C 56.09 0.15 1 90 452 10 GLN CB C 29.51 0.15 1 91 452 10 GLN CG C 33.92 0.15 1 92 452 10 GLN N N 121.43 0.15 1 93 452 10 GLN NE2 N 112.43 0.15 1 94 453 11 VAL H H 8.17 0.02 1 95 453 11 VAL HA H 4.17 0.02 1 96 453 11 VAL HB H 2.06 0.02 1 97 453 11 VAL HG1 H 0.88 0.02 2 98 453 11 VAL HG2 H 0.88 0.02 2 99 453 11 VAL CA C 62.36 0.15 1 100 453 11 VAL CB C 32.85 0.15 1 101 453 11 VAL CG1 C 20.44 0.15 2 102 453 11 VAL CG2 C 21.21 0.15 2 103 453 11 VAL N N 120.85 0.15 1 104 454 12 SER H H 8.35 0.02 1 105 454 12 SER HA H 4.47 0.02 1 106 454 12 SER HB2 H 3.88 0.02 1 107 454 12 SER HB3 H 3.88 0.02 1 108 454 12 SER CA C 58.49 0.15 1 109 454 12 SER CB C 63.90 0.15 1 110 454 12 SER N N 118.88 0.15 1 111 455 13 GLY H H 8.47 0.02 1 112 455 13 GLY HA2 H 3.98 0.02 1 113 455 13 GLY HA3 H 3.98 0.02 1 114 455 13 GLY CA C 45.64 0.15 1 115 455 13 GLY N N 111.49 0.15 1 116 456 14 GLY H H 8.22 0.02 1 117 456 14 GLY HA2 H 3.86 0.02 1 118 456 14 GLY HA3 H 3.86 0.02 1 119 456 14 GLY CA C 45.27 0.15 1 120 456 14 GLY N N 108.14 0.15 1 121 457 15 HIS H H 8.18 0.02 1 122 457 15 HIS HA H 4.67 0.02 1 123 457 15 HIS HB2 H 3.06 0.02 2 124 457 15 HIS HB3 H 3.14 0.02 2 125 457 15 HIS CA C 55.27 0.15 1 126 457 15 HIS CB C 29.39 0.15 1 127 457 15 HIS N N 118.11 0.15 1 128 458 16 PHE H H 8.34 0.02 1 129 458 16 PHE HA H 4.69 0.02 1 130 458 16 PHE HB2 H 2.98 0.02 2 131 458 16 PHE HB3 H 3.10 0.02 2 132 458 16 PHE CA C 57.90 0.15 1 133 458 16 PHE CB C 39.85 0.15 1 134 458 16 PHE N N 121.69 0.15 1 135 459 17 VAL H H 8.19 0.02 1 136 459 17 VAL HA H 4.18 0.02 1 137 459 17 VAL HB H 2.02 0.02 1 138 459 17 VAL HG1 H 0.90 0.02 2 139 459 17 VAL HG2 H 0.90 0.02 2 140 459 17 VAL CA C 62.18 0.15 1 141 459 17 VAL CB C 33.28 0.15 1 142 459 17 VAL CG1 C 20.71 0.15 2 143 459 17 VAL CG2 C 21.21 0.15 2 144 459 17 VAL N N 122.02 0.15 1 145 460 18 THR H H 8.22 0.02 1 146 460 18 THR HA H 4.34 0.02 1 147 460 18 THR HB H 4.15 0.02 1 148 460 18 THR HG2 H 1.16 0.02 1 149 460 18 THR CA C 61.79 0.15 1 150 460 18 THR CB C 69.88 0.15 1 151 460 18 THR CG2 C 21.76 0.15 1 152 460 18 THR N N 118.47 0.15 1 153 461 19 LEU H H 8.30 0.02 1 154 461 19 LEU HA H 4.32 0.02 1 155 461 19 LEU HD1 H 0.87 0.02 2 156 461 19 LEU HD2 H 0.81 0.02 2 157 461 19 LEU CA C 55.27 0.15 1 158 461 19 LEU CB C 42.55 0.15 1 159 461 19 LEU CG C 27.12 0.15 1 160 461 19 LEU CD1 C 24.94 0.15 2 161 461 19 LEU CD2 C 23.61 0.15 2 162 461 19 LEU N N 125.04 0.15 1 163 462 20 HIS H H 8.55 0.02 1 164 462 20 HIS HA H 4.70 0.02 1 165 462 20 HIS HB2 H 3.27 0.02 2 166 462 20 HIS HB3 H 3.15 0.02 2 167 462 20 HIS CA C 55.48 0.15 1 168 462 20 HIS CB C 29.29 0.15 1 169 462 20 HIS N N 119.02 0.15 1 170 463 21 GLY H H 8.47 0.02 1 171 463 21 GLY HA2 H 3.97 0.02 2 172 463 21 GLY HA3 H 3.94 0.02 2 173 463 21 GLY CA C 45.55 0.15 1 174 463 21 GLY N N 110.52 0.15 1 175 464 22 ALA H H 8.25 0.02 1 176 464 22 ALA HA H 4.34 0.02 1 177 464 22 ALA HB H 1.40 0.02 1 178 464 22 ALA CA C 52.62 0.15 1 179 464 22 ALA CB C 19.39 0.15 1 180 464 22 ALA N N 124.13 0.15 1 181 465 23 GLU H H 8.45 0.02 1 182 465 23 GLU HA H 4.25 0.02 1 183 465 23 GLU HB2 H 1.98 0.02 2 184 465 23 GLU HB3 H 2.05 0.02 2 185 465 23 GLU HG2 H 2.29 0.02 1 186 465 23 GLU HG3 H 2.29 0.02 1 187 465 23 GLU CA C 56.86 0.15 1 188 465 23 GLU CB C 30.23 0.15 1 189 465 23 GLU CG C 36.25 0.15 1 190 465 23 GLU N N 119.90 0.15 1 191 466 24 ARG H H 8.27 0.02 1 192 466 24 ARG HA H 4.35 0.02 1 193 466 24 ARG HB2 H 1.74 0.02 2 194 466 24 ARG HB3 H 1.84 0.02 2 195 466 24 ARG HG2 H 1.59 0.02 1 196 466 24 ARG HG3 H 1.59 0.02 1 197 466 24 ARG HD2 H 3.18 0.02 1 198 466 24 ARG HD3 H 3.18 0.02 1 199 466 24 ARG HE H 7.27 0.02 1 200 466 24 ARG CA C 55.95 0.15 1 201 466 24 ARG CB C 30.84 0.15 1 202 466 24 ARG CG C 26.96 0.15 1 203 466 24 ARG CD C 43.39 0.15 1 204 466 24 ARG N N 121.79 0.15 1 205 466 24 ARG NE N 84.88 0.15 1 206 467 25 LEU H H 8.32 0.02 1 207 467 25 LEU HA H 4.34 0.02 1 208 467 25 LEU HB2 H 1.60 0.02 1 209 467 25 LEU HB3 H 1.60 0.02 1 210 467 25 LEU HG H 1.64 0.02 1 211 467 25 LEU HD1 H 0.91 0.02 2 212 467 25 LEU HD2 H 0.86 0.02 2 213 467 25 LEU CA C 55.35 0.15 1 214 467 25 LEU CB C 42.37 0.15 1 215 467 25 LEU CD1 C 23.58 0.15 2 216 467 25 LEU CD2 C 27.23 0.15 2 217 467 25 LEU N N 123.92 0.15 1 218 468 26 GLU H H 8.43 0.02 1 219 468 26 GLU HA H 4.28 0.02 1 220 468 26 GLU HB2 H 1.96 0.02 2 221 468 26 GLU HB3 H 2.06 0.02 2 222 468 26 GLU HG2 H 2.28 0.02 1 223 468 26 GLU HG3 H 2.28 0.02 1 224 468 26 GLU CA C 56.66 0.15 1 225 468 26 GLU CB C 30.16 0.15 1 226 468 26 GLU CG C 36.09 0.15 1 227 468 26 GLU N N 121.57 0.15 1 228 469 27 GLU H H 8.35 0.02 1 229 469 27 GLU HA H 4.29 0.02 1 230 469 27 GLU HB2 H 1.95 0.02 2 231 469 27 GLU HB3 H 2.06 0.02 2 232 469 27 GLU HG2 H 2.26 0.02 1 233 469 27 GLU HG3 H 2.26 0.02 1 234 469 27 GLU CA C 56.59 0.15 1 235 469 27 GLU CB C 30.47 0.15 1 236 469 27 GLU CG C 36.15 0.15 1 237 469 27 GLU N N 121.27 0.15 1 238 470 28 GLU H H 8.41 0.02 1 239 470 28 GLU HA H 4.37 0.02 1 240 470 28 GLU HB2 H 1.98 0.02 2 241 470 28 GLU HB3 H 2.08 0.02 2 242 470 28 GLU HG2 H 2.29 0.02 1 243 470 28 GLU HG3 H 2.29 0.02 1 244 470 28 GLU CA C 56.58 0.15 1 245 470 28 GLU CB C 30.28 0.15 1 246 470 28 GLU CG C 36.14 0.15 1 247 470 28 GLU N N 122.01 0.15 1 248 471 29 THR H H 8.22 0.02 1 249 471 29 THR HA H 4.37 0.02 1 250 471 29 THR HB H 4.23 0.02 1 251 471 29 THR HG2 H 1.19 0.02 1 252 471 29 THR CA C 61.73 0.15 1 253 471 29 THR CB C 70.01 0.15 1 254 471 29 THR CG2 C 21.70 0.15 1 255 471 29 THR N N 115.36 0.15 1 256 472 30 ASN H H 8.54 0.02 1 257 472 30 ASN HA H 4.79 0.02 1 258 472 30 ASN HB2 H 2.77 0.02 2 259 472 30 ASN HB3 H 2.86 0.02 2 260 472 30 ASN HD21 H 7.62 0.02 2 261 472 30 ASN HD22 H 6.95 0.02 2 262 472 30 ASN CA C 53.18 0.15 1 263 472 30 ASN CB C 39.26 0.15 1 264 472 30 ASN N N 121.55 0.15 1 265 472 30 ASN ND2 N 113.31 0.15 1 266 473 31 ASP H H 8.41 0.02 1 267 473 31 ASP HA H 4.60 0.02 1 268 473 31 ASP HB2 H 2.71 0.02 2 269 473 31 ASP HB3 H 2.62 0.02 2 270 473 31 ASP CA C 54.70 0.15 1 271 473 31 ASP CB C 41.07 0.15 1 272 473 31 ASP N N 121.56 0.15 1 273 474 32 GLU H H 8.33 0.02 1 274 474 32 GLU HA H 4.26 0.02 1 275 474 32 GLU HB2 H 1.95 0.02 2 276 474 32 GLU HB3 H 2.06 0.02 2 277 474 32 GLU HG2 H 2.24 0.02 2 278 474 32 GLU HG3 H 2.29 0.02 2 279 474 32 GLU CA C 56.91 0.15 1 280 474 32 GLU CB C 30.33 0.15 1 281 474 32 GLU CG C 36.10 0.15 1 282 474 32 GLU N N 120.60 0.15 1 283 475 33 ASP H H 8.42 0.02 1 284 475 33 ASP HA H 4.66 0.02 1 285 475 33 ASP HB2 H 2.66 0.02 2 286 475 33 ASP HB3 H 2.78 0.02 2 287 475 33 ASP CA C 54.35 0.15 1 288 475 33 ASP CB C 41.25 0.15 1 289 475 33 ASP N N 121.60 0.15 1 290 476 34 VAL H H 8.08 0.02 1 291 476 34 VAL HA H 4.13 0.02 1 292 476 34 VAL HB H 2.17 0.02 1 293 476 34 VAL HG1 H 0.96 0.02 2 294 476 34 VAL HG2 H 0.96 0.02 2 295 476 34 VAL CA C 62.91 0.15 1 296 476 34 VAL CB C 32.43 0.15 1 297 476 34 VAL CG1 C 20.50 0.15 2 298 476 34 VAL CG2 C 21.29 0.15 2 299 476 34 VAL N N 120.57 0.15 1 300 477 35 SER H H 8.47 0.02 1 301 477 35 SER HA H 4.41 0.02 1 302 477 35 SER HB2 H 3.93 0.02 2 303 477 35 SER HB3 H 4.01 0.02 2 304 477 35 SER CA C 59.44 0.15 1 305 477 35 SER CB C 63.82 0.15 1 306 477 35 SER N N 118.99 0.15 1 307 478 36 ASP H H 8.30 0.02 1 308 478 36 ASP HA H 4.15 0.02 1 309 478 36 ASP HB2 H 2.74 0.02 1 310 478 36 ASP HB3 H 2.74 0.02 1 311 478 36 ASP CA C 55.89 0.15 1 312 478 36 ASP CB C 41.10 0.15 1 313 478 36 ASP N N 122.64 0.15 1 314 479 37 ILE H H 7.95 0.02 1 315 479 37 ILE HA H 3.87 0.02 1 316 479 37 ILE HB H 1.91 0.02 1 317 479 37 ILE HG12 H 1.22 0.02 4 318 479 37 ILE HG13 H 1.56 0.02 4 319 479 37 ILE HG2 H 0.95 0.02 4 320 479 37 ILE HD1 H 0.89 0.02 4 321 479 37 ILE CA C 63.79 0.15 1 322 479 37 ILE CB C 38.34 0.15 1 323 479 37 ILE CG1 C 28.39 0.15 1 324 479 37 ILE CG2 C 17.48 0.15 4 325 479 37 ILE CD1 C 13.26 0.15 4 326 479 37 ILE N N 120.77 0.15 1 327 480 38 GLU H H 8.14 0.02 1 328 480 38 GLU HA H 4.06 0.02 1 329 480 38 GLU HB2 H 2.08 0.02 1 330 480 38 GLU HB3 H 2.08 0.02 1 331 480 38 GLU HG2 H 2.28 0.02 2 332 480 38 GLU HG3 H 2.38 0.02 2 333 480 38 GLU CA C 58.87 0.15 1 334 480 38 GLU CB C 29.41 0.15 1 335 480 38 GLU CG C 36.61 0.15 1 336 480 38 GLU N N 120.62 0.15 1 337 481 39 ARG H H 8.10 0.02 1 338 481 39 ARG HA H 4.16 0.02 1 339 481 39 ARG HB2 H 1.92 0.02 1 340 481 39 ARG HB3 H 1.92 0.02 1 341 481 39 ARG HG2 H 1.62 0.02 2 342 481 39 ARG HG3 H 1.74 0.02 2 343 481 39 ARG HD2 H 3.24 0.02 1 344 481 39 ARG HD3 H 3.24 0.02 1 345 481 39 ARG HE H 7.32 0.02 1 346 481 39 ARG CA C 58.42 0.15 1 347 481 39 ARG CB C 30.27 0.15 1 348 481 39 ARG CG C 27.56 0.15 1 349 481 39 ARG CD C 43.37 0.15 1 350 481 39 ARG N N 120.85 0.15 1 351 481 39 ARG NE N 84.55 0.15 1 352 482 40 ARG H H 8.03 0.02 1 353 482 40 ARG HA H 4.14 0.02 1 354 482 40 ARG HB2 H 1.93 0.02 1 355 482 40 ARG HB3 H 1.93 0.02 1 356 482 40 ARG HG2 H 1.63 0.02 2 357 482 40 ARG HG3 H 1.78 0.02 2 358 482 40 ARG HD2 H 3.21 0.02 1 359 482 40 ARG HD3 H 3.21 0.02 1 360 482 40 ARG HE H 7.37 0.02 1 361 482 40 ARG CA C 58.77 0.15 1 362 482 40 ARG CB C 30.24 0.15 1 363 482 40 ARG CG C 27.64 0.15 1 364 482 40 ARG CD C 43.61 0.15 1 365 482 40 ARG N N 120.08 0.15 1 366 482 40 ARG NE N 84.80 0.15 1 367 483 41 ILE H H 8.12 0.02 1 368 483 41 ILE HA H 3.84 0.02 1 369 483 41 ILE HB H 1.90 0.02 1 370 483 41 ILE HG12 H 1.15 0.02 4 371 483 41 ILE HG13 H 1.67 0.02 4 372 483 41 ILE HG2 H 0.93 0.02 4 373 483 41 ILE HD1 H 0.85 0.02 4 374 483 41 ILE CA C 64.01 0.15 1 375 483 41 ILE CB C 38.40 0.15 1 376 483 41 ILE CG1 C 28.50 0.15 1 377 483 41 ILE CG2 C 17.22 0.15 4 378 483 41 ILE CD1 C 13.37 0.15 4 379 483 41 ILE N N 120.92 0.15 1 380 484 42 ALA H H 8.01 0.02 1 381 484 42 ALA HA H 4.18 0.02 1 382 484 42 ALA HB H 1.49 0.02 1 383 484 42 ALA CA C 54.39 0.15 1 384 484 42 ALA CB C 18.52 0.15 1 385 484 42 ALA N N 123.43 0.15 1 386 485 43 MET H H 8.15 0.02 1 387 485 43 MET HA H 4.30 0.02 1 388 485 43 MET HB2 H 2.60 0.02 2 389 485 43 MET HB3 H 2.73 0.02 2 390 485 43 MET HG2 H 2.16 0.02 1 391 485 43 MET HG3 H 2.16 0.02 1 392 485 43 MET CA C 57.44 0.15 1 393 485 43 MET CB C 32.84 0.15 1 394 485 43 MET CG C 32.22 0.15 1 395 485 43 MET N N 118.12 0.15 1 396 486 44 ARG H H 7.99 0.02 1 397 486 44 ARG HA H 4.24 0.02 1 398 486 44 ARG HB2 H 1.94 0.02 1 399 486 44 ARG HB3 H 1.94 0.02 1 400 486 44 ARG HG2 H 1.69 0.02 2 401 486 44 ARG HG3 H 1.73 0.02 2 402 486 44 ARG HD2 H 3.23 0.02 1 403 486 44 ARG HD3 H 3.23 0.02 1 404 486 44 ARG HE H 7.31 0.02 1 405 486 44 ARG CA C 57.77 0.15 1 406 486 44 ARG CB C 30.11 0.15 1 407 486 44 ARG CG C 27.32 0.15 1 408 486 44 ARG CD C 43.53 0.15 1 409 486 44 ARG N N 120.51 0.15 1 410 486 44 ARG NE N 84.91 0.15 1 411 487 45 LEU H H 8.12 0.02 1 412 487 45 LEU HA H 4.21 0.02 1 413 487 45 LEU HB2 H 1.74 0.02 1 414 487 45 LEU HB3 H 1.74 0.02 1 415 487 45 LEU HG H 1.61 0.02 1 416 487 45 LEU HD1 H 0.92 0.02 2 417 487 45 LEU HD2 H 0.88 0.02 2 418 487 45 LEU CA C 56.55 0.15 1 419 487 45 LEU CB C 42.04 0.15 1 420 487 45 LEU CG C 27.08 0.15 1 421 487 45 LEU CD1 C 23.36 0.15 2 422 487 45 LEU CD2 C 25.11 0.15 2 423 487 45 LEU N N 121.08 0.15 1 424 488 46 ALA H H 7.94 0.02 1 425 488 46 ALA HA H 4.23 0.02 1 426 488 46 ALA HB H 1.46 0.02 1 427 488 46 ALA CA C 53.58 0.15 1 428 488 46 ALA CB C 18.85 0.15 1 429 488 46 ALA N N 122.34 0.15 1 430 489 47 GLU H H 8.01 0.02 1 431 489 47 GLU HA H 4.20 0.02 1 432 489 47 GLU HB2 H 2.08 0.02 1 433 489 47 GLU HB3 H 2.08 0.02 1 434 489 47 GLU HG2 H 2.28 0.02 2 435 489 47 GLU HG3 H 2.39 0.02 2 436 489 47 GLU CA C 57.37 0.15 1 437 489 47 GLU CB C 30.10 0.15 1 438 489 47 GLU CG C 36.20 0.15 1 439 489 47 GLU N N 118.85 0.15 1 440 490 48 ARG H H 8.07 0.02 1 441 490 48 ARG HA H 4.30 0.02 1 442 490 48 ARG HB2 H 1.92 0.02 2 443 490 48 ARG HB3 H 1.85 0.02 2 444 490 48 ARG HG2 H 1.70 0.02 1 445 490 48 ARG HG3 H 1.70 0.02 1 446 490 48 ARG HD2 H 3.22 0.02 1 447 490 48 ARG HD3 H 3.22 0.02 1 448 490 48 ARG HE H 7.28 0.02 1 449 490 48 ARG CA C 56.86 0.15 1 450 490 48 ARG CB C 30.23 0.15 1 451 490 48 ARG CG C 26.99 0.15 1 452 490 48 ARG CD C 43.50 0.15 1 453 490 48 ARG N N 120.89 0.15 1 454 490 48 ARG NE N 84.91 0.15 1 455 491 49 ARG H H 8.25 0.02 1 456 491 49 ARG HA H 4.28 0.02 1 457 491 49 ARG HB2 H 1.83 0.02 2 458 491 49 ARG HB3 H 1.89 0.02 2 459 491 49 ARG HG2 H 1.64 0.02 2 460 491 49 ARG HG3 H 1.70 0.02 2 461 491 49 ARG HD2 H 3.22 0.02 1 462 491 49 ARG HD3 H 3.22 0.02 1 463 491 49 ARG HE H 7.28 0.02 1 464 491 49 ARG CA C 56.93 0.15 1 465 491 49 ARG CB C 30.72 0.15 1 466 491 49 ARG CG C 27.33 0.15 1 467 491 49 ARG CD C 43.46 0.15 1 468 491 49 ARG N N 121.58 0.15 1 469 491 49 ARG NE N 84.91 0.15 1 470 492 50 GLN H H 8.35 0.02 1 471 492 50 GLN HA H 4.30 0.02 1 472 492 50 GLN HB2 H 2.05 0.02 2 473 492 50 GLN HB3 H 2.14 0.02 2 474 492 50 GLN HG2 H 2.40 0.02 1 475 492 50 GLN HG3 H 2.40 0.02 1 476 492 50 GLN HE21 H 7.56 0.02 2 477 492 50 GLN HE22 H 6.86 0.02 2 478 492 50 GLN CA C 56.46 0.15 1 479 492 50 GLN CB C 29.30 0.15 1 480 492 50 GLN CG C 33.89 0.15 1 481 492 50 GLN N N 121.40 0.15 1 482 492 50 GLN NE2 N 112.58 0.15 1 483 493 51 GLU H H 8.46 0.02 1 484 493 51 GLU HA H 4.30 0.02 1 485 493 51 GLU HB2 H 1.98 0.02 2 486 493 51 GLU HB3 H 2.07 0.02 2 487 493 51 GLU HG2 H 2.30 0.02 1 488 493 51 GLU HG3 H 2.30 0.02 1 489 493 51 GLU CA C 56.93 0.15 1 490 493 51 GLU CB C 30.16 0.15 1 491 493 51 GLU CG C 36.09 0.15 1 492 493 51 GLU N N 121.75 0.15 1 493 494 52 ASP H H 8.36 0.02 1 494 494 52 ASP HA H 4.64 0.02 1 495 494 52 ASP HB2 H 2.69 0.02 2 496 494 52 ASP HB3 H 2.75 0.02 2 497 494 52 ASP CA C 54.69 0.15 1 498 494 52 ASP CB C 41.20 0.15 1 499 494 52 ASP N N 121.34 0.15 1 500 495 53 SER H H 8.22 0.02 1 501 495 53 SER HA H 4.39 0.02 1 502 495 53 SER HB2 H 3.94 0.02 2 503 495 53 SER HB3 H 3.88 0.02 2 504 495 53 SER CA C 58.82 0.15 1 505 495 53 SER CB C 63.82 0.15 1 506 495 53 SER N N 116.32 0.15 1 507 496 54 ALA H H 8.27 0.02 1 508 496 54 ALA HA H 4.38 0.02 1 509 496 54 ALA HB H 1.42 0.02 1 510 496 54 ALA CA C 52.89 0.15 1 511 496 54 ALA CB C 19.30 0.15 1 512 496 54 ALA N N 125.60 0.15 1 513 497 55 THR H H 8.01 0.02 1 514 497 55 THR HA H 4.31 0.02 1 515 497 55 THR HB H 4.21 0.02 1 516 497 55 THR HG2 H 1.17 0.02 1 517 497 55 THR CA C 61.87 0.15 1 518 497 55 THR CB C 69.83 0.15 1 519 497 55 THR CG2 C 21.70 0.15 1 520 497 55 THR N N 112.34 0.15 1 521 498 56 HIS H H 8.47 0.02 1 522 498 56 HIS HA H 4.77 0.02 1 523 498 56 HIS HB2 H 3.20 0.02 2 524 498 56 HIS HB3 H 3.33 0.02 2 525 498 56 HIS CA C 55.48 0.15 1 526 498 56 HIS CB C 29.29 0.15 1 527 498 56 HIS N N 120.61 0.15 1 528 499 57 GLY H H 8.48 0.02 1 529 499 57 GLY HA2 H 3.98 0.02 2 530 499 57 GLY HA3 H 4.04 0.02 2 531 499 57 GLY CA C 45.43 0.15 1 532 499 57 GLY N N 110.45 0.15 1 533 500 58 ASP H H 8.39 0.02 1 534 500 58 ASP HA H 4.68 0.02 1 535 500 58 ASP HB2 H 2.75 0.02 2 536 500 58 ASP HB3 H 2.60 0.02 2 537 500 58 ASP CA C 54.39 0.15 1 538 500 58 ASP CB C 41.19 0.15 1 539 500 58 ASP N N 121.08 0.15 1 540 501 59 GLU H H 7.98 0.02 1 541 501 59 GLU N N 125.67 0.15 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 317 '318,319,319,319,320,320,320' '324,325' '370,371,372,372,372,373,373,373' '377,378' stop_ save_