data_17561 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Dimeric Form of a Unliganded Bovine Neurophysin, Minimized Average Structure ; _BMRB_accession_number 17561 _BMRB_flat_file_name bmr17561.str _Entry_type original _Submission_date 2011-03-31 _Accession_date 2011-03-31 _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 Lee Hunjoong . . 2 Naik Mandar . . 3 Nguyen Tam . . 4 Bracken Clay . . 5 Breslow Esther . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 616 "13C chemical shifts" 86 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-03 original author . stop_ _Original_release_date 2012-04-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis of the Dimerization-Induced Increase in Neurophysin-Hormone Affinity: Interplay of Inter-Domain and Inter-Subunit Interactions' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Hunjoong . . 2 Naik Mandar . . 3 Bracken Clay . . 4 Breslow Esther . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Unliganded Bovine Neurophysin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Neurophysin, 1' $Neurophysin 'Neurophysin, 2' $Neurophysin 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_Neurophysin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Bovine Neurophysin' _Molecular_mass 9295.494 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; AVLDLDVRTCLPCGPGGKGR CFGPSICCGDELGCFVGTAE ALRCQEENYLPSPCQSGQKP CGSGGRCAAAGICCSPDGCH EDPACDPEAAFS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 VAL 3 LEU 4 ASP 5 LEU 6 ASP 7 VAL 8 ARG 9 THR 10 CYS 11 LEU 12 PRO 13 CYS 14 GLY 15 PRO 16 GLY 17 GLY 18 LYS 19 GLY 20 ARG 21 CYS 22 PHE 23 GLY 24 PRO 25 SER 26 ILE 27 CYS 28 CYS 29 GLY 30 ASP 31 GLU 32 LEU 33 GLY 34 CYS 35 PHE 36 VAL 37 GLY 38 THR 39 ALA 40 GLU 41 ALA 42 LEU 43 ARG 44 CYS 45 GLN 46 GLU 47 GLU 48 ASN 49 TYR 50 LEU 51 PRO 52 SER 53 PRO 54 CYS 55 GLN 56 SER 57 GLY 58 GLN 59 LYS 60 PRO 61 CYS 62 GLY 63 SER 64 GLY 65 GLY 66 ARG 67 CYS 68 ALA 69 ALA 70 ALA 71 GLY 72 ILE 73 CYS 74 CYS 75 SER 76 PRO 77 ASP 78 GLY 79 CYS 80 HIS 81 GLU 82 ASP 83 PRO 84 ALA 85 CYS 86 ASP 87 PRO 88 GLU 89 ALA 90 ALA 91 PHE 92 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 17571 "Mutant Unliganded Bovine Neurophysin" 100.00 92 98.91 98.91 1.22e-54 PDB 1L5C "Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, 20 Structures" 100.00 92 98.91 98.91 1.22e-54 PDB 1L5D "Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, Minimized Average Structure" 100.00 92 98.91 98.91 1.22e-54 PDB 2HNU "Crystal Structure Of A Dipeptide Complex Of Bovine Neurophysin-I" 88.04 81 100.00 100.00 1.41e-47 PDB 2HNV "Crystal Structure Of A Dipeptide Complex Of The Q58v Mutant Of Bovine Neurophysin-I" 88.04 81 98.77 98.77 1.23e-46 PDB 2HNW "Crystal Structure Of The F91stop Mutant Of Des1-6 Bovine Neurophysin-I, Unliganded State" 86.96 80 100.00 100.00 6.94e-47 PDB 2LBH "Solution Structure Of The Dimeric Form Of A Unliganded Bovine Neurophysin, Minimized Average Structure" 100.00 92 100.00 100.00 9.10e-56 PDB 2LBN "(Revised) Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, 20 Structures" 100.00 92 98.91 98.91 1.22e-54 DBJ BAK09299 "oxytocin [Bos taurus]" 90.22 85 100.00 100.00 1.03e-48 DBJ BAK09301 "oxytocin [Bos taurus]" 90.22 85 100.00 100.00 1.03e-48 DBJ BAK09303 "oxytocin [Bos taurus]" 90.22 85 100.00 100.00 1.03e-48 EMBL CAA23448 "polyprotein [Bos taurus]" 100.00 111 100.00 100.00 6.73e-56 EMBL CAA23450 "neurophysin I [Bos taurus]" 100.00 94 100.00 100.00 8.20e-56 EMBL CAA25462 "unnamed protein product [Bos taurus]" 100.00 110 100.00 100.00 7.61e-56 EMBL CAA38924 "prepropeptide for oxytocin and neurophysin [Ovis aries]" 100.00 125 97.83 98.91 1.16e-54 EMBL CAJ81049 "oxytocin-neurophysin 1 precursor [Bubalus bubalis]" 100.00 125 98.91 98.91 2.28e-55 GB AAA30680 "oxytocin/neurophysin precursor [Bos taurus]" 100.00 125 100.00 100.00 4.66e-56 GB AAI41998 "Oxytocin, prepropeptide [Bos taurus]" 100.00 125 100.00 100.00 4.66e-56 GB AFU54450 "oxytocin-neurophysin 1 precursor, partial [Bubalus bubalis]" 100.00 111 98.91 98.91 4.38e-55 GB ELK04017 "Vasopressin-neurophysin 2-copeptin [Pteropus alecto]" 81.52 182 97.33 97.33 1.94e-41 PRF 0904308A "oxytocin neurophysin I precursor" 100.00 111 100.00 100.00 6.73e-56 PRF 1005247A "oxytocin neurophysin I precursor" 100.00 125 100.00 100.00 4.66e-56 PRF 1307200B "neurophysin VLDV" 100.00 93 100.00 100.00 8.32e-56 REF NP_789825 "oxytocin-neurophysin 1 preproprotein [Bos taurus]" 100.00 125 100.00 100.00 4.66e-56 REF XP_006042791 "PREDICTED: oxytocin-neurophysin 1 [Bubalus bubalis]" 100.00 172 98.91 98.91 1.34e-55 SP P01175 "RecName: Full=Oxytocin-neurophysin 1; Short=OT-NPI; Contains: RecName: Full=Oxytocin; AltName: Full=Ocytocin; Contains: RecName" 100.00 125 100.00 100.00 4.66e-56 SP P13389 "RecName: Full=Oxytocin-neurophysin 1; Short=OT-NPI; Contains: RecName: Full=Oxytocin; AltName: Full=Ocytocin; Contains: RecName" 100.00 125 97.83 98.91 1.16e-54 TPG DAA23107 "TPA: oxytocin-neurophysin 1 preproprotein [Bos taurus]" 100.00 125 100.00 100.00 4.66e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Neurophysin cow 9913 Eukaryota Metazoa Bos taurus 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 $Neurophysin 'recombinant technology' . Escherichia coli 'Bl21(de)plys S' T7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM BNP1 of bovine neurophysin I' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Neurophysin 1 mM '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task processing stop_ _Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '1.0 mM BNP1 of bovine neurophysin I' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.7 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details '1.0 mM BNP1 of bovine neurophysin I' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details '1.0 mM BNP1 of bovine neurophysin I for RDC measurement' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10.15 . mM pH 2.7 . pH pressure 1 . atm temperature 314 . 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 carbon' ppm 0 external direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 nitrogen ppm 0 external direct . . . 1.0 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'Neurophysin, 1' _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 2 VAL H H 8.442 . . 2 2 2 VAL HA H 4.106 . . 3 2 2 VAL HB H 2.007 . . 4 2 2 VAL HG1 H 0.897 . . 5 2 2 VAL N N 119.953 . . 6 3 3 LEU H H 8.338 . . 7 3 3 LEU HA H 4.342 . . 8 3 3 LEU HB2 H 1.563 . . 9 3 3 LEU HD1 H 0.893 . . 10 3 3 LEU HD2 H 0.884 . . 11 3 3 LEU CA C 54.718 . . 12 3 3 LEU N N 126.484 . . 13 4 4 ASP H H 8.432 . . 14 4 4 ASP HA H 4.674 . . 15 4 4 ASP HB2 H 2.884 . . 16 4 4 ASP HB3 H 2.750 . . 17 4 4 ASP N N 120.807 . . 18 5 5 LEU H H 8.179 . . 19 5 5 LEU HA H 4.274 . . 20 5 5 LEU HB2 H 1.564 . . 21 5 5 LEU HD1 H 0.882 . . 22 5 5 LEU HD2 H 0.840 . . 23 5 5 LEU CA C 55.112 . . 24 5 5 LEU N N 122.910 . . 25 6 6 ASP H H 8.333 . . 26 6 6 ASP HA H 4.661 . . 27 6 6 ASP HB2 H 2.880 . . 28 6 6 ASP HB3 H 2.762 . . 29 6 6 ASP CA C 53.020 . . 30 6 6 ASP N N 119.562 . . 31 7 7 VAL H H 7.874 . . 32 7 7 VAL HA H 4.107 . . 33 7 7 VAL HB H 2.068 . . 34 7 7 VAL HG1 H 0.879 . . 35 7 7 VAL CA C 62.187 . . 36 7 7 VAL N N 119.724 . . 37 8 8 ARG H H 8.306 . . 38 8 8 ARG HA H 4.378 . . 39 8 8 ARG HB2 H 1.730 . . 40 8 8 ARG N N 123.721 . . 41 9 9 THR H H 7.832 . . 42 9 9 THR HA H 5.012 . . 43 9 9 THR HB H 4.097 . . 44 9 9 THR N N 113.933 . . 45 10 10 CYS H H 7.997 . . 46 10 10 CYS HA H 4.564 . . 47 10 10 CYS HB2 H 2.952 . . 48 10 10 CYS HB3 H 2.878 . . 49 10 10 CYS N N 127.524 . . 50 12 12 PRO HA H 4.694 . . 51 12 12 PRO HB2 H 2.410 . . 52 13 13 CYS H H 7.876 . . 53 13 13 CYS HA H 4.776 . . 54 13 13 CYS HB2 H 3.210 . . 55 13 13 CYS HB3 H 3.102 . . 56 13 13 CYS CA C 54.530 . . 57 13 13 CYS N N 113.375 . . 58 14 14 GLY H H 8.463 . . 59 14 14 GLY HA2 H 3.694 . . 60 14 14 GLY HA3 H 3.474 . . 61 14 14 GLY CA C 44.483 . . 62 14 14 GLY N N 105.870 . . 63 15 15 PRO HA H 4.311 . . 64 15 15 PRO HB2 H 2.291 . . 65 15 15 PRO HG2 H 2.086 . . 66 15 15 PRO HG3 H 1.985 . . 67 15 15 PRO CA C 63.790 . . 68 16 16 GLY H H 9.098 . . 69 16 16 GLY HA2 H 3.910 . . 70 16 16 GLY HA3 H 4.319 . . 71 16 16 GLY CA C 46.160 . . 72 16 16 GLY N N 114.862 . . 73 17 17 GLY H H 8.376 . . 74 17 17 GLY HA2 H 3.907 . . 75 17 17 GLY HA3 H 3.380 . . 76 17 17 GLY N N 108.315 . . 77 18 18 LYS H H 7.297 . . 78 18 18 LYS HA H 4.294 . . 79 18 18 LYS HB2 H 2.069 . . 80 18 18 LYS HB3 H 1.806 . . 81 18 18 LYS HG2 H 1.565 . . 82 18 18 LYS HG3 H 1.451 . . 83 18 18 LYS CA C 56.611 . . 84 18 18 LYS N N 114.685 . . 85 19 19 GLY H H 8.461 . . 86 19 19 GLY HA2 H 4.547 . . 87 19 19 GLY HA3 H 3.293 . . 88 19 19 GLY N N 107.967 . . 89 20 20 ARG H H 9.152 . . 90 20 20 ARG HA H 5.196 . . 91 20 20 ARG HB2 H 1.765 . . 92 20 20 ARG HB3 H 1.615 . . 93 20 20 ARG HG2 H 1.741 . . 94 20 20 ARG HG3 H 1.497 . . 95 20 20 ARG CA C 53.774 . . 96 20 20 ARG N N 118.900 . . 97 21 21 CYS H H 8.635 . . 98 21 21 CYS HA H 5.452 . . 99 21 21 CYS HB2 H 3.087 . . 100 21 21 CYS HB3 H 2.982 . . 101 21 21 CYS CA C 56.183 . . 102 21 21 CYS N N 121.367 . . 103 22 22 PHE H H 8.951 . . 104 22 22 PHE HA H 4.325 . . 105 22 22 PHE HB2 H 3.056 . . 106 22 22 PHE HB3 H 2.909 . . 107 22 22 PHE HD1 H 7.228 . . 108 22 22 PHE N N 125.732 . . 109 23 23 GLY H H 8.065 . . 110 23 23 GLY N N 106.765 . . 111 26 26 ILE H H 7.223 . . 112 26 26 ILE HA H 5.097 . . 113 26 26 ILE HG13 H 0.808 . . 114 26 26 ILE HG2 H 1.202 . . 115 26 26 ILE HD1 H 0.733 . . 116 26 26 ILE N N 117.706 . . 117 27 27 CYS H H 9.001 . . 118 27 27 CYS HA H 5.574 . . 119 27 27 CYS HB2 H 3.019 . . 120 27 27 CYS HB3 H 2.928 . . 121 27 27 CYS CA C 54.156 . . 122 27 27 CYS N N 128.036 . . 123 28 28 CYS H H 9.305 . . 124 28 28 CYS HA H 6.386 . . 125 28 28 CYS HB2 H 3.034 . . 126 28 28 CYS HB3 H 2.546 . . 127 28 28 CYS CA C 55.390 . . 128 28 28 CYS N N 124.199 . . 129 29 29 GLY H H 8.743 . . 130 29 29 GLY HA2 H 4.975 . . 131 29 29 GLY HA3 H 3.970 . . 132 29 29 GLY CA C 45.204 . . 133 29 29 GLY N N 106.830 . . 134 30 30 ASP H H 9.198 . . 135 30 30 ASP HA H 4.414 . . 136 30 30 ASP HB2 H 2.898 . . 137 30 30 ASP HB3 H 2.897 . . 138 30 30 ASP CA C 57.216 . . 139 30 30 ASP N N 122.916 . . 140 31 31 GLU H H 8.913 . . 141 31 31 GLU HA H 4.524 . . 142 31 31 GLU HB2 H 1.969 . . 143 31 31 GLU HB3 H 2.465 . . 144 31 31 GLU HG2 H 2.897 . . 145 31 31 GLU HG3 H 2.321 . . 146 31 31 GLU CA C 55.716 . . 147 31 31 GLU N N 115.253 . . 148 32 32 LEU H H 7.368 . . 149 32 32 LEU HA H 4.410 . . 150 32 32 LEU HB2 H 1.673 . . 151 32 32 LEU HB3 H 1.602 . . 152 32 32 LEU HG H 1.212 . . 153 32 32 LEU HD1 H 0.963 . . 154 32 32 LEU CA C 55.510 . . 155 32 32 LEU N N 118.176 . . 156 33 33 GLY H H 7.861 . . 157 33 33 GLY HA2 H 3.963 . . 158 33 33 GLY HA3 H 3.300 . . 159 33 33 GLY N N 103.849 . . 160 34 34 CYS H H 8.281 . . 161 34 34 CYS HA H 5.338 . . 162 34 34 CYS HB2 H 2.503 . . 163 34 34 CYS HB3 H 2.319 . . 164 34 34 CYS CA C 55.713 . . 165 34 34 CYS N N 114.254 . . 166 35 35 PHE H H 9.491 . . 167 35 35 PHE HA H 4.432 . . 168 35 35 PHE HB2 H 2.753 . . 169 35 35 PHE N N 123.432 . . 170 36 36 VAL H H 8.963 . . 171 36 36 VAL HA H 4.739 . . 172 36 36 VAL HB H 1.801 . . 173 36 36 VAL HG1 H 0.390 . . 174 36 36 VAL HG2 H 0.515 . . 175 36 36 VAL CA C 60.241 . . 176 36 36 VAL N N 124.365 . . 177 37 37 GLY H H 9.335 . . 178 37 37 GLY HA2 H 3.935 . . 179 37 37 GLY HA3 H 3.792 . . 180 37 37 GLY N N 111.046 . . 181 38 38 THR HA H 4.496 . . 182 38 38 THR HG1 H 4.988 . . 183 39 39 ALA H H 9.122 . . 184 39 39 ALA HA H 4.000 . . 185 39 39 ALA HB H 1.388 . . 186 39 39 ALA N N 124.085 . . 187 40 40 GLU H H 8.545 . . 188 40 40 GLU HA H 3.852 . . 189 40 40 GLU HB2 H 2.082 . . 190 40 40 GLU CA C 58.996 . . 191 40 40 GLU N N 114.678 . . 192 41 41 ALA H H 7.480 . . 193 41 41 ALA HA H 4.325 . . 194 41 41 ALA HB H 1.204 . . 195 41 41 ALA CA C 51.115 . . 196 41 41 ALA N N 117.857 . . 197 42 42 LEU H H 7.370 . . 198 42 42 LEU HA H 4.124 . . 199 42 42 LEU HB2 H 1.766 . . 200 42 42 LEU HB3 H 1.671 . . 201 42 42 LEU HG H 1.532 . . 202 42 42 LEU HD1 H 0.891 . . 203 42 42 LEU HD2 H 0.820 . . 204 42 42 LEU CA C 58.279 . . 205 42 42 LEU N N 121.363 . . 206 43 43 ARG H H 8.195 . . 207 43 43 ARG HA H 4.389 . . 208 43 43 ARG HB2 H 1.857 . . 209 43 43 ARG HB3 H 1.857 . . 210 43 43 ARG HG2 H 1.854 . . 211 43 43 ARG HG3 H 1.854 . . 212 43 43 ARG N N 116.955 . . 213 44 44 CYS H H 7.849 . . 214 44 44 CYS HA H 4.654 . . 215 44 44 CYS HB2 H 3.026 . . 216 44 44 CYS CA C 53.835 . . 217 44 44 CYS N N 115.418 . . 218 45 45 GLN H H 7.707 . . 219 45 45 GLN HA H 4.283 . . 220 45 45 GLN HB2 H 2.475 . . 221 45 45 GLN HB3 H 2.182 . . 222 45 45 GLN CA C 58.110 . . 223 45 45 GLN N N 121.018 . . 224 46 46 GLU H H 8.113 . . 225 46 46 GLU HA H 4.647 . . 226 46 46 GLU HB2 H 1.960 . . 227 46 46 GLU HG2 H 2.246 . . 228 46 46 GLU N N 119.005 . . 229 47 47 GLU H H 8.062 . . 230 47 47 GLU HA H 4.316 . . 231 47 47 GLU HB2 H 2.062 . . 232 47 47 GLU HB3 H 1.881 . . 233 47 47 GLU HG2 H 2.392 . . 234 47 47 GLU N N 118.930 . . 235 48 48 ASN H H 8.082 . . 236 48 48 ASN HA H 4.591 . . 237 48 48 ASN HB2 H 2.642 . . 238 48 48 ASN N N 118.062 . . 239 49 49 TYR H H 7.924 . . 240 49 49 TYR HA H 4.284 . . 241 49 49 TYR HB2 H 3.065 . . 242 49 49 TYR HB3 H 2.878 . . 243 49 49 TYR N N 118.701 . . 244 50 50 LEU H H 8.370 . . 245 50 50 LEU HA H 4.375 . . 246 50 50 LEU HD1 H 0.882 . . 247 50 50 LEU N N 124.100 . . 248 53 53 PRO HA H 4.392 . . 249 53 53 PRO CA C 62.840 . . 250 54 54 CYS H H 8.340 . . 251 54 54 CYS HA H 4.500 . . 252 54 54 CYS HB2 H 3.912 . . 253 54 54 CYS HB3 H 3.792 . . 254 54 54 CYS CA C 55.740 . . 255 54 54 CYS N N 115.447 . . 256 55 55 GLN H H 8.094 . . 257 55 55 GLN HA H 4.401 . . 258 55 55 GLN HB2 H 2.241 . . 259 55 55 GLN HB3 H 1.950 . . 260 55 55 GLN HG2 H 2.906 . . 261 55 55 GLN N N 119.279 . . 262 56 56 SER H H 8.206 . . 263 56 56 SER HA H 4.309 . . 264 56 56 SER HB2 H 3.740 . . 265 56 56 SER CA C 58.731 . . 266 56 56 SER N N 117.341 . . 267 57 57 GLY H H 8.543 . . 268 57 57 GLY HA2 H 3.968 . . 269 57 57 GLY N N 110.549 . . 270 58 58 GLN H H 7.901 . . 271 58 58 GLN HA H 4.434 . . 272 58 58 GLN HB2 H 1.963 . . 273 58 58 GLN HG2 H 2.437 . . 274 58 58 GLN CA C 55.137 . . 275 58 58 GLN N N 118.916 . . 276 59 59 LYS H H 8.647 . . 277 59 59 LYS N N 124.484 . . 278 60 60 PRO HA H 4.850 . . 279 60 60 PRO HB2 H 2.323 . . 280 60 60 PRO HB3 H 1.946 . . 281 60 60 PRO HG2 H 1.764 . . 282 61 61 CYS H H 7.871 . . 283 61 61 CYS HA H 4.674 . . 284 61 61 CYS HB2 H 3.067 . . 285 61 61 CYS N N 116.009 . . 286 62 62 GLY H H 8.657 . . 287 62 62 GLY HA2 H 3.811 . . 288 62 62 GLY CA C 46.360 . . 289 62 62 GLY N N 108.670 . . 290 63 63 SER H H 8.643 . . 291 63 63 SER HA H 4.594 . . 292 63 63 SER HB2 H 3.742 . . 293 63 63 SER N N 119.174 . . 294 64 64 GLY H H 8.478 . . 295 64 64 GLY HA2 H 4.102 . . 296 64 64 GLY HA3 H 3.891 . . 297 64 64 GLY N N 111.360 . . 298 65 65 GLY H H 7.806 . . 299 65 65 GLY HA2 H 4.590 . . 300 65 65 GLY HA3 H 3.575 . . 301 65 65 GLY N N 107.292 . . 302 66 66 ARG H H 8.692 . . 303 66 66 ARG HA H 5.119 . . 304 66 66 ARG HB2 H 1.767 . . 305 66 66 ARG HG2 H 1.629 . . 306 66 66 ARG HG3 H 1.635 . . 307 66 66 ARG HD2 H 3.074 . . 308 66 66 ARG HE H 7.201 . . 309 66 66 ARG N N 118.630 . . 310 67 67 CYS H H 9.063 . . 311 67 67 CYS HA H 5.024 . . 312 67 67 CYS HB2 H 3.026 . . 313 67 67 CYS HB3 H 2.848 . . 314 67 67 CYS CA C 54.094 . . 315 67 67 CYS N N 122.470 . . 316 68 68 ALA H H 8.122 . . 317 68 68 ALA HB H 0.353 . . 318 68 68 ALA N N 130.546 . . 319 69 69 ALA H H 7.906 . . 320 69 69 ALA HA H 4.250 . . 321 69 69 ALA HB H 1.221 . . 322 69 69 ALA N N 115.769 . . 323 70 70 ALA H H 8.424 . . 324 70 70 ALA HA H 4.023 . . 325 70 70 ALA HB H 1.324 . . 326 70 70 ALA CA C 54.537 . . 327 70 70 ALA N N 123.333 . . 328 71 71 GLY H H 7.865 . . 329 71 71 GLY HA2 H 4.047 . . 330 71 71 GLY HA3 H 3.591 . . 331 71 71 GLY CA C 46.109 . . 332 71 71 GLY N N 111.852 . . 333 72 72 ILE H H 7.914 . . 334 72 72 ILE HA H 4.267 . . 335 72 72 ILE HG12 H 1.289 . . 336 72 72 ILE HD1 H 0.515 . . 337 72 72 ILE CA C 60.493 . . 338 72 72 ILE N N 120.846 . . 339 73 73 CYS H H 8.693 . . 340 73 73 CYS HA H 5.008 . . 341 73 73 CYS HB2 H 2.931 . . 342 73 73 CYS HB3 H 2.195 . . 343 73 73 CYS CA C 54.156 . . 344 73 73 CYS N N 126.726 . . 345 74 74 CYS H H 9.055 . . 346 74 74 CYS HA H 5.828 . . 347 74 74 CYS HB2 H 3.076 . . 348 74 74 CYS HB3 H 2.390 . . 349 74 74 CYS CA C 56.300 . . 350 74 74 CYS N N 124.970 . . 351 76 76 PRO HA H 4.381 . . 352 77 77 ASP H H 7.724 . . 353 77 77 ASP HA H 4.725 . . 354 77 77 ASP HB2 H 2.841 . . 355 77 77 ASP HB3 H 2.688 . . 356 77 77 ASP CA C 51.934 . . 357 77 77 ASP N N 109.490 . . 358 78 78 GLY H H 7.702 . . 359 78 78 GLY HA2 H 4.470 . . 360 78 78 GLY HA3 H 3.788 . . 361 78 78 GLY CA C 46.470 . . 362 78 78 GLY N N 108.039 . . 363 79 79 CYS H H 8.109 . . 364 79 79 CYS HA H 5.807 . . 365 79 79 CYS HB2 H 2.897 . . 366 79 79 CYS HB3 H 2.674 . . 367 79 79 CYS N N 115.752 . . 368 80 80 HIS H H 9.168 . . 369 80 80 HIS HA H 5.229 . . 370 80 80 HIS N N 116.971 . . 371 81 81 GLU H H 8.904 . . 372 81 81 GLU HA H 4.539 . . 373 81 81 GLU HB2 H 2.128 . . 374 81 81 GLU HB3 H 1.988 . . 375 81 81 GLU HG2 H 3.266 . . 376 81 81 GLU HG3 H 3.138 . . 377 81 81 GLU CA C 53.170 . . 378 81 81 GLU N N 123.037 . . 379 82 82 ASP H H 8.449 . . 380 82 82 ASP HA H 5.002 . . 381 82 82 ASP HB2 H 2.542 . . 382 82 82 ASP HB3 H 2.310 . . 383 82 82 ASP CA C 50.917 . . 384 82 82 ASP N N 122.374 . . 385 83 83 PRO HA H 4.366 . . 386 83 83 PRO HB2 H 2.036 . . 387 83 83 PRO HB3 H 2.370 . . 388 83 83 PRO CA C 63.510 . . 389 84 84 ALA H H 8.375 . . 390 84 84 ALA HA H 4.202 . . 391 84 84 ALA HB H 1.355 . . 392 84 84 ALA N N 121.488 . . 393 85 85 CYS H H 7.908 . . 394 85 85 CYS HA H 4.999 . . 395 85 85 CYS HB2 H 3.472 . . 396 85 85 CYS HB3 H 2.453 . . 397 85 85 CYS CA C 51.590 . . 398 85 85 CYS N N 112.382 . . 399 86 86 ASP H H 8.065 . . 400 86 86 ASP HA H 4.797 . . 401 86 86 ASP HB2 H 2.974 . . 402 86 86 ASP HB3 H 2.928 . . 403 86 86 ASP N N 125.174 . . 404 87 87 PRO HA H 4.398 . . 405 88 88 GLU H H 8.359 . . 406 88 88 GLU HA H 4.129 . . 407 88 88 GLU HB2 H 2.048 . . 408 88 88 GLU HB3 H 1.949 . . 409 88 88 GLU HG2 H 2.442 . . 410 88 88 GLU HG3 H 2.290 . . 411 88 88 GLU CA C 56.190 . . 412 88 88 GLU N N 119.924 . . 413 89 89 ALA H H 8.118 . . 414 89 89 ALA HA H 4.186 . . 415 89 89 ALA HB H 1.322 . . 416 89 89 ALA N N 123.437 . . 417 90 90 ALA H H 8.045 . . 418 90 90 ALA HA H 4.215 . . 419 90 90 ALA HB H 1.317 . . 420 90 90 ALA N N 121.662 . . 421 91 91 PHE H H 7.769 . . 422 91 91 PHE HA H 4.746 . . 423 91 91 PHE HB2 H 3.023 . . 424 91 91 PHE CA C 56.840 . . 425 91 91 PHE N N 117.228 . . 426 92 92 SER H H 7.920 . . 427 92 92 SER HB2 H 3.856 . . 428 92 92 SER HB3 H 3.788 . . 429 92 92 SER N N 118.919 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'Neurophysin, 2' _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 1 102 2 VAL H H 8.442 . . 2 102 2 VAL HA H 4.106 . . 3 102 2 VAL HB H 2.007 . . 4 102 2 VAL HG1 H 0.897 . . 5 102 2 VAL N N 119.953 . . 6 103 3 LEU H H 8.425 . . 7 103 3 LEU HA H 4.342 . . 8 103 3 LEU HB2 H 1.563 . . 9 103 3 LEU HD1 H 0.893 . . 10 103 3 LEU HD2 H 0.884 . . 11 103 3 LEU CA C 54.718 . . 12 103 3 LEU N N 127.619 . . 13 104 4 ASP H H 8.497 . . 14 104 4 ASP HA H 4.674 . . 15 104 4 ASP HB2 H 2.884 . . 16 104 4 ASP HB3 H 2.750 . . 17 104 4 ASP N N 121.049 . . 18 105 5 LEU H H 8.179 . . 19 105 5 LEU HA H 4.274 . . 20 105 5 LEU HB2 H 1.564 . . 21 105 5 LEU HD1 H 0.882 . . 22 105 5 LEU HD2 H 0.840 . . 23 105 5 LEU CA C 55.112 . . 24 105 5 LEU N N 122.910 . . 25 106 6 ASP H H 8.333 . . 26 106 6 ASP HA H 4.661 . . 27 106 6 ASP HB2 H 2.880 . . 28 106 6 ASP HB3 H 2.762 . . 29 106 6 ASP CA C 53.020 . . 30 106 6 ASP N N 119.562 . . 31 107 7 VAL H H 8.016 . . 32 107 7 VAL HA H 4.107 . . 33 107 7 VAL HB H 2.068 . . 34 107 7 VAL HG1 H 0.879 . . 35 107 7 VAL CA C 62.187 . . 36 107 7 VAL N N 120.456 . . 37 108 8 ARG H H 8.360 . . 38 108 8 ARG HA H 4.372 . . 39 108 8 ARG HB2 H 1.730 . . 40 108 8 ARG N N 124.100 . . 41 109 9 THR H H 7.832 . . 42 109 9 THR HA H 5.012 . . 43 109 9 THR HB H 4.097 . . 44 109 9 THR N N 113.933 . . 45 110 10 CYS H H 7.997 . . 46 110 10 CYS HA H 4.564 . . 47 110 10 CYS HB2 H 2.952 . . 48 110 10 CYS HB3 H 2.878 . . 49 110 10 CYS N N 127.524 . . 50 112 12 PRO HA H 4.694 . . 51 112 12 PRO HB2 H 2.410 . . 52 113 13 CYS H H 7.876 . . 53 113 13 CYS HA H 4.776 . . 54 113 13 CYS HB2 H 3.210 . . 55 113 13 CYS HB3 H 3.102 . . 56 113 13 CYS CA C 54.530 . . 57 113 13 CYS N N 113.375 . . 58 114 14 GLY H H 8.463 . . 59 114 14 GLY HA2 H 3.694 . . 60 114 14 GLY HA3 H 3.474 . . 61 114 14 GLY CA C 44.483 . . 62 114 14 GLY N N 105.870 . . 63 115 15 PRO HA H 4.311 . . 64 115 15 PRO HB2 H 2.291 . . 65 115 15 PRO HG2 H 2.086 . . 66 115 15 PRO HG3 H 1.985 . . 67 115 15 PRO CA C 63.790 . . 68 116 16 GLY H H 9.098 . . 69 116 16 GLY HA2 H 3.910 . . 70 116 16 GLY HA3 H 4.319 . . 71 116 16 GLY CA C 46.160 . . 72 116 16 GLY N N 114.862 . . 73 117 17 GLY H H 8.376 . . 74 117 17 GLY HA2 H 3.907 . . 75 117 17 GLY HA3 H 3.380 . . 76 117 17 GLY N N 108.315 . . 77 118 18 LYS H H 7.297 . . 78 118 18 LYS HA H 4.294 . . 79 118 18 LYS HB2 H 2.069 . . 80 118 18 LYS HB3 H 1.806 . . 81 118 18 LYS HG2 H 1.565 . . 82 118 18 LYS HG3 H 1.451 . . 83 118 18 LYS CA C 56.611 . . 84 118 18 LYS N N 114.685 . . 85 119 19 GLY H H 8.461 . . 86 119 19 GLY HA2 H 4.547 . . 87 119 19 GLY HA3 H 3.293 . . 88 119 19 GLY N N 107.967 . . 89 120 20 ARG H H 9.152 . . 90 120 20 ARG HA H 5.196 . . 91 120 20 ARG HB2 H 1.765 . . 92 120 20 ARG HB3 H 1.615 . . 93 120 20 ARG HG2 H 1.741 . . 94 120 20 ARG HG3 H 1.497 . . 95 120 20 ARG CA C 53.774 . . 96 120 20 ARG N N 118.900 . . 97 121 21 CYS H H 8.635 . . 98 121 21 CYS HA H 5.452 . . 99 121 21 CYS HB2 H 3.087 . . 100 121 21 CYS HB3 H 2.982 . . 101 121 21 CYS CA C 56.183 . . 102 121 21 CYS N N 121.367 . . 103 122 22 PHE H H 8.914 . . 104 122 22 PHE HA H 4.325 . . 105 122 22 PHE HB2 H 3.056 . . 106 122 22 PHE HB3 H 2.909 . . 107 122 22 PHE HD1 H 7.228 . . 108 122 22 PHE N N 125.453 . . 109 123 23 GLY H H 8.065 . . 110 123 23 GLY N N 106.765 . . 111 126 26 ILE H H 7.223 . . 112 126 26 ILE HA H 5.097 . . 113 126 26 ILE HG13 H 0.808 . . 114 126 26 ILE HG2 H 1.202 . . 115 126 26 ILE HD1 H 0.733 . . 116 126 26 ILE N N 117.706 . . 117 127 27 CYS H H 9.001 . . 118 127 27 CYS HA H 5.574 . . 119 127 27 CYS HB2 H 3.019 . . 120 127 27 CYS HB3 H 2.928 . . 121 127 27 CYS CA C 54.156 . . 122 127 27 CYS N N 128.036 . . 123 128 28 CYS H H 9.305 . . 124 128 28 CYS HA H 6.386 . . 125 128 28 CYS HB2 H 3.034 . . 126 128 28 CYS HB3 H 2.546 . . 127 128 28 CYS CA C 55.390 . . 128 128 28 CYS N N 124.199 . . 129 129 29 GLY H H 8.743 . . 130 129 29 GLY HA2 H 4.975 . . 131 129 29 GLY HA3 H 3.970 . . 132 129 29 GLY CA C 45.204 . . 133 129 29 GLY N N 106.830 . . 134 130 30 ASP H H 9.198 . . 135 130 30 ASP HA H 4.414 . . 136 130 30 ASP HB2 H 2.898 . . 137 130 30 ASP HB3 H 2.897 . . 138 130 30 ASP CA C 57.216 . . 139 130 30 ASP N N 122.916 . . 140 131 31 GLU H H 8.913 . . 141 131 31 GLU HA H 4.524 . . 142 131 31 GLU HB2 H 1.969 . . 143 131 31 GLU HB3 H 2.465 . . 144 131 31 GLU HG2 H 2.897 . . 145 131 31 GLU HG3 H 2.321 . . 146 131 31 GLU CA C 55.716 . . 147 131 31 GLU N N 115.253 . . 148 132 32 LEU H H 7.368 . . 149 132 32 LEU HA H 4.410 . . 150 132 32 LEU HB2 H 1.673 . . 151 132 32 LEU HB3 H 1.602 . . 152 132 32 LEU HG H 1.212 . . 153 132 32 LEU HD1 H 0.963 . . 154 132 32 LEU CA C 55.510 . . 155 132 32 LEU N N 118.176 . . 156 133 33 GLY H H 7.861 . . 157 133 33 GLY HA2 H 3.963 . . 158 133 33 GLY HA3 H 3.300 . . 159 133 33 GLY N N 103.849 . . 160 134 34 CYS H H 8.281 . . 161 134 34 CYS HA H 5.338 . . 162 134 34 CYS HB2 H 2.503 . . 163 134 34 CYS HB3 H 2.319 . . 164 134 34 CYS CA C 55.713 . . 165 134 34 CYS N N 114.254 . . 166 135 35 PHE H H 9.491 . . 167 135 35 PHE HA H 4.432 . . 168 135 35 PHE HB2 H 2.753 . . 169 135 35 PHE N N 123.432 . . 170 136 36 VAL H H 8.963 . . 171 136 36 VAL HA H 4.739 . . 172 136 36 VAL HB H 1.801 . . 173 136 36 VAL HG1 H 0.390 . . 174 136 36 VAL HG2 H 0.515 . . 175 136 36 VAL CA C 60.241 . . 176 136 36 VAL N N 124.365 . . 177 137 37 GLY H H 9.453 . . 178 137 37 GLY HA2 H 3.935 . . 179 137 37 GLY HA3 H 3.792 . . 180 137 37 GLY N N 111.266 . . 181 138 38 THR HA H 4.496 . . 182 138 38 THR HG1 H 4.988 . . 183 139 39 ALA H H 9.122 . . 184 139 39 ALA HA H 4.000 . . 185 139 39 ALA HB H 1.388 . . 186 139 39 ALA N N 124.085 . . 187 140 40 GLU H H 8.545 . . 188 140 40 GLU HA H 3.852 . . 189 140 40 GLU HB2 H 2.082 . . 190 140 40 GLU CA C 58.996 . . 191 140 40 GLU N N 114.678 . . 192 141 41 ALA H H 7.480 . . 193 141 41 ALA HA H 4.325 . . 194 141 41 ALA HB H 1.204 . . 195 141 41 ALA CA C 51.115 . . 196 141 41 ALA N N 117.857 . . 197 142 42 LEU H H 7.370 . . 198 142 42 LEU HA H 4.124 . . 199 142 42 LEU HB2 H 1.766 . . 200 142 42 LEU HB3 H 1.671 . . 201 142 42 LEU HG H 1.532 . . 202 142 42 LEU HD1 H 0.891 . . 203 142 42 LEU HD2 H 0.820 . . 204 142 42 LEU CA C 58.279 . . 205 142 42 LEU N N 121.363 . . 206 143 43 ARG H H 8.195 . . 207 143 43 ARG HA H 4.389 . . 208 143 43 ARG HB2 H 1.857 . . 209 143 43 ARG HG2 H 1.854 . . 210 143 43 ARG N N 116.955 . . 211 144 44 CYS H H 7.849 . . 212 144 44 CYS HA H 4.654 . . 213 144 44 CYS HB2 H 3.026 . . 214 144 44 CYS CA C 53.835 . . 215 144 44 CYS N N 115.418 . . 216 145 45 GLN H H 7.707 . . 217 145 45 GLN HA H 4.283 . . 218 145 45 GLN HB2 H 2.475 . . 219 145 45 GLN HB3 H 2.182 . . 220 145 45 GLN CA C 58.110 . . 221 145 45 GLN N N 121.018 . . 222 146 46 GLU H H 8.113 . . 223 146 46 GLU HA H 4.647 . . 224 146 46 GLU HB2 H 1.960 . . 225 146 46 GLU HG2 H 2.246 . . 226 146 46 GLU N N 119.005 . . 227 147 47 GLU H H 8.062 . . 228 147 47 GLU HA H 4.316 . . 229 147 47 GLU HB2 H 2.062 . . 230 147 47 GLU HB3 H 1.881 . . 231 147 47 GLU HG2 H 2.392 . . 232 147 47 GLU N N 118.930 . . 233 148 48 ASN H H 8.082 . . 234 148 48 ASN HA H 4.591 . . 235 148 48 ASN HB2 H 2.642 . . 236 148 48 ASN N N 118.062 . . 237 149 49 TYR H H 7.924 . . 238 149 49 TYR HA H 4.284 . . 239 149 49 TYR HB2 H 3.065 . . 240 149 49 TYR HB3 H 2.878 . . 241 149 49 TYR N N 118.701 . . 242 150 50 LEU H H 8.370 . . 243 150 50 LEU HA H 4.375 . . 244 150 50 LEU HD1 H 0.882 . . 245 150 50 LEU N N 124.100 . . 246 153 53 PRO HA H 4.392 . . 247 153 53 PRO CA C 62.840 . . 248 154 54 CYS H H 8.340 . . 249 154 54 CYS HA H 4.500 . . 250 154 54 CYS HB2 H 3.912 . . 251 154 54 CYS HB3 H 3.792 . . 252 154 54 CYS CA C 55.740 . . 253 154 54 CYS N N 115.447 . . 254 155 55 GLN H H 8.114 . . 255 155 55 GLN HA H 4.401 . . 256 155 55 GLN HB2 H 2.241 . . 257 155 55 GLN HB3 H 1.950 . . 258 155 55 GLN HG2 H 2.906 . . 259 155 55 GLN N N 119.586 . . 260 156 56 SER H H 8.206 . . 261 156 56 SER HA H 4.309 . . 262 156 56 SER HB2 H 3.740 . . 263 156 56 SER CA C 58.731 . . 264 156 56 SER N N 117.341 . . 265 157 57 GLY H H 8.625 . . 266 157 57 GLY HA2 H 3.968 . . 267 157 57 GLY N N 111.157 . . 268 158 58 GLN H H 7.901 . . 269 158 58 GLN HA H 4.434 . . 270 158 58 GLN HB2 H 1.963 . . 271 158 58 GLN HG2 H 2.437 . . 272 158 58 GLN CA C 55.137 . . 273 158 58 GLN N N 118.916 . . 274 159 59 LYS H H 8.742 . . 275 159 59 LYS N N 124.500 . . 276 160 60 PRO HA H 4.850 . . 277 160 60 PRO HB2 H 2.323 . . 278 160 60 PRO HB3 H 1.946 . . 279 160 60 PRO HG2 H 1.764 . . 280 161 61 CYS H H 7.871 . . 281 161 61 CYS HA H 4.674 . . 282 161 61 CYS HB2 H 3.067 . . 283 161 61 CYS N N 116.009 . . 284 162 62 GLY H H 8.657 . . 285 162 62 GLY HA2 H 3.811 . . 286 162 62 GLY CA C 46.360 . . 287 162 62 GLY N N 108.670 . . 288 163 63 SER H H 8.643 . . 289 163 63 SER HA H 4.594 . . 290 163 63 SER HB2 H 3.742 . . 291 163 63 SER N N 119.174 . . 292 164 64 GLY H H 8.478 . . 293 164 64 GLY HA2 H 4.102 . . 294 164 64 GLY HA3 H 3.891 . . 295 164 64 GLY N N 111.360 . . 296 165 65 GLY H H 7.806 . . 297 165 65 GLY HA2 H 4.590 . . 298 165 65 GLY HA3 H 3.575 . . 299 165 65 GLY N N 107.292 . . 300 166 66 ARG H H 8.692 . . 301 166 66 ARG HA H 5.119 . . 302 166 66 ARG HB2 H 1.767 . . 303 166 66 ARG HG2 H 1.629 . . 304 166 66 ARG HG3 H 1.635 . . 305 166 66 ARG HD2 H 3.074 . . 306 166 66 ARG HE H 7.201 . . 307 166 66 ARG N N 118.630 . . 308 167 67 CYS H H 9.063 . . 309 167 67 CYS HA H 5.024 . . 310 167 67 CYS HB2 H 3.026 . . 311 167 67 CYS HB3 H 2.848 . . 312 167 67 CYS CA C 54.094 . . 313 167 67 CYS N N 122.470 . . 314 168 68 ALA H H 8.122 . . 315 168 68 ALA HB H 0.353 . . 316 168 68 ALA N N 130.546 . . 317 169 69 ALA H H 7.906 . . 318 169 69 ALA HA H 4.250 . . 319 169 69 ALA HB H 1.221 . . 320 169 69 ALA N N 115.769 . . 321 170 70 ALA H H 8.424 . . 322 170 70 ALA HA H 4.023 . . 323 170 70 ALA HB H 1.324 . . 324 170 70 ALA CA C 54.537 . . 325 170 70 ALA N N 123.333 . . 326 171 71 GLY H H 7.865 . . 327 171 71 GLY HA2 H 4.047 . . 328 171 71 GLY HA3 H 3.591 . . 329 171 71 GLY CA C 46.109 . . 330 171 71 GLY N N 111.852 . . 331 172 72 ILE H H 7.914 . . 332 172 72 ILE HA H 4.267 . . 333 172 72 ILE HG12 H 1.289 . . 334 172 72 ILE HD1 H 0.515 . . 335 172 72 ILE CA C 60.493 . . 336 172 72 ILE N N 120.846 . . 337 173 73 CYS H H 8.693 . . 338 173 73 CYS HA H 5.008 . . 339 173 73 CYS HB2 H 2.931 . . 340 173 73 CYS HB3 H 2.195 . . 341 173 73 CYS CA C 54.156 . . 342 173 73 CYS N N 126.726 . . 343 174 74 CYS H H 9.055 . . 344 174 74 CYS HA H 5.828 . . 345 174 74 CYS HB2 H 3.076 . . 346 174 74 CYS HB3 H 2.390 . . 347 174 74 CYS CA C 56.300 . . 348 174 74 CYS N N 124.970 . . 349 176 76 PRO HA H 4.381 . . 350 177 77 ASP H H 7.724 . . 351 177 77 ASP HA H 4.725 . . 352 177 77 ASP HB2 H 2.841 . . 353 177 77 ASP HB3 H 2.688 . . 354 177 77 ASP CA C 51.934 . . 355 177 77 ASP N N 109.490 . . 356 178 78 GLY H H 7.702 . . 357 178 78 GLY HA2 H 4.470 . . 358 178 78 GLY HA3 H 3.788 . . 359 178 78 GLY CA C 46.470 . . 360 178 78 GLY N N 108.039 . . 361 179 79 CYS H H 8.109 . . 362 179 79 CYS HA H 5.807 . . 363 179 79 CYS HB2 H 2.897 . . 364 179 79 CYS HB3 H 2.674 . . 365 179 79 CYS N N 115.752 . . 366 180 80 HIS H H 9.168 . . 367 180 80 HIS HA H 5.229 . . 368 180 80 HIS N N 116.971 . . 369 181 81 GLU H H 8.904 . . 370 181 81 GLU HA H 4.539 . . 371 181 81 GLU HB2 H 2.128 . . 372 181 81 GLU HB3 H 1.988 . . 373 181 81 GLU HG2 H 3.266 . . 374 181 81 GLU HG3 H 3.138 . . 375 181 81 GLU CA C 53.170 . . 376 181 81 GLU N N 123.037 . . 377 182 82 ASP H H 8.449 . . 378 182 82 ASP HA H 5.002 . . 379 182 82 ASP HB2 H 2.542 . . 380 182 82 ASP HB3 H 2.310 . . 381 182 82 ASP CA C 50.917 . . 382 182 82 ASP N N 122.374 . . 383 183 83 PRO HA H 4.366 . . 384 183 83 PRO HB2 H 2.036 . . 385 183 83 PRO HB3 H 2.370 . . 386 183 83 PRO CA C 63.510 . . 387 184 84 ALA H H 8.375 . . 388 184 84 ALA HA H 4.202 . . 389 184 84 ALA HB H 1.355 . . 390 184 84 ALA N N 121.488 . . 391 185 85 CYS H H 7.908 . . 392 185 85 CYS HA H 4.999 . . 393 185 85 CYS HB2 H 3.472 . . 394 185 85 CYS HB3 H 2.453 . . 395 185 85 CYS CA C 51.590 . . 396 185 85 CYS N N 112.382 . . 397 186 86 ASP H H 8.065 . . 398 186 86 ASP HA H 4.797 . . 399 186 86 ASP HB2 H 2.974 . . 400 186 86 ASP HB3 H 2.928 . . 401 186 86 ASP N N 125.174 . . 402 187 87 PRO HA H 4.398 . . 403 188 88 GLU H H 8.359 . . 404 188 88 GLU HA H 4.129 . . 405 188 88 GLU HB2 H 2.048 . . 406 188 88 GLU HB3 H 1.949 . . 407 188 88 GLU HG2 H 2.442 . . 408 188 88 GLU HG3 H 2.290 . . 409 188 88 GLU CA C 56.190 . . 410 188 88 GLU N N 119.924 . . 411 189 89 ALA H H 8.118 . . 412 189 89 ALA HA H 4.186 . . 413 189 89 ALA HB H 1.322 . . 414 189 89 ALA N N 123.437 . . 415 190 90 ALA H H 8.045 . . 416 190 90 ALA HA H 4.215 . . 417 190 90 ALA HB H 1.317 . . 418 190 90 ALA N N 121.662 . . 419 191 91 PHE H H 7.769 . . 420 191 91 PHE HA H 4.746 . . 421 191 91 PHE HB2 H 3.023 . . 422 191 91 PHE CA C 56.840 . . 423 191 91 PHE N N 117.228 . . 424 192 92 SER H H 7.920 . . 425 192 92 SER HB2 H 3.856 . . 426 192 92 SER HB3 H 3.788 . . 427 192 92 SER N N 118.919 . . stop_ save_