data_26778 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter spheroids at pH 4.5 in the absence of BeF3- ; _BMRB_accession_number 26778 _BMRB_flat_file_name bmr26778.str _Entry_type original _Submission_date 2016-04-12 _Accession_date 2016-04-12 _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 Varela-Alvarez Lorena . . 2 Bell Christian . . 3 Armitage Judith P. . 4 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 673 "13C chemical shifts" 511 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-09-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26769 'response regulator CheY3 at pH 7.4 in the absence of BeF3-' 26776 'response regulator CheY3 at pH 7.25 with BeF3-' 26777 'response regulator CheY3 at pH 4.5 with BeF3-' stop_ _Original_release_date 2016-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter sphaeroides ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27468962 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Varela-Alvarez Lorena . . 2 Bell Christian . . 3 Armitage Judith P. . 4 Redfield Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 373 _Page_last 378 _Year 2016 _Details . loop_ _Keyword CheY3 'NMR resonance assignments' 'Rhodobacter sphaeroides' chemotaxis 'response regulator' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CheY3_noBeF3_pH4.5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CheY3_noBeF3_pH4.5 $CheY3_noBeF3_pH4-5 Mg2+ $entity_MG 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_CheY3_noBeF3_pH4-5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CheY3_noBeF3_pH4.5 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; MRGSHHHHHHGSSRTVLAVD DSPSVRSMVAMTLREAGYRV IEATDGREGLEKALSEPVDA IITDQNMPNLDGLGFIRAFR EHPESKGKPIIFLSTDSADT LKQQAREAGAMGWMVKPFTQ PQLLAVIKKVLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -10 MET 2 -9 ARG 3 -8 GLY 4 -7 SER 5 -6 HIS 6 -5 HIS 7 -4 HIS 8 -3 HIS 9 -2 HIS 10 -1 HIS 11 0 GLY 12 1 SER 13 2 SER 14 3 ARG 15 4 THR 16 5 VAL 17 6 LEU 18 7 ALA 19 8 VAL 20 9 ASP 21 10 ASP 22 11 SER 23 12 PRO 24 13 SER 25 14 VAL 26 15 ARG 27 16 SER 28 17 MET 29 18 VAL 30 19 ALA 31 20 MET 32 21 THR 33 22 LEU 34 23 ARG 35 24 GLU 36 25 ALA 37 26 GLY 38 27 TYR 39 28 ARG 40 29 VAL 41 30 ILE 42 31 GLU 43 32 ALA 44 33 THR 45 34 ASP 46 35 GLY 47 36 ARG 48 37 GLU 49 38 GLY 50 39 LEU 51 40 GLU 52 41 LYS 53 42 ALA 54 43 LEU 55 44 SER 56 45 GLU 57 46 PRO 58 47 VAL 59 48 ASP 60 49 ALA 61 50 ILE 62 51 ILE 63 52 THR 64 53 ASP 65 54 GLN 66 55 ASN 67 56 MET 68 57 PRO 69 58 ASN 70 59 LEU 71 60 ASP 72 61 GLY 73 62 LEU 74 63 GLY 75 64 PHE 76 65 ILE 77 66 ARG 78 67 ALA 79 68 PHE 80 69 ARG 81 70 GLU 82 71 HIS 83 72 PRO 84 73 GLU 85 74 SER 86 75 LYS 87 76 GLY 88 77 LYS 89 78 PRO 90 79 ILE 91 80 ILE 92 81 PHE 93 82 LEU 94 83 SER 95 84 THR 96 85 ASP 97 86 SER 98 87 ALA 99 88 ASP 100 89 THR 101 90 LEU 102 91 LYS 103 92 GLN 104 93 GLN 105 94 ALA 106 95 ARG 107 96 GLU 108 97 ALA 109 98 GLY 110 99 ALA 111 100 MET 112 101 GLY 113 102 TRP 114 103 MET 115 104 VAL 116 105 LYS 117 106 PRO 118 107 PHE 119 108 THR 120 109 GLN 121 110 PRO 122 111 GLN 123 112 LEU 124 113 LEU 125 114 ALA 126 115 VAL 127 116 ILE 128 117 LYS 129 118 LYS 130 119 VAL 131 120 LEU 132 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MG (MAGNESIUM ION)" _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CheY3_noBeF3_pH4-5 'Rhodobacter sphaeroides' 1063 Bacteria . Rhodobacter sphaeroides 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 $CheY3_noBeF3_pH4-5 'recombinant technology' . Escherichia coli . pQE-80 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CheY3_noBeF3_pH4-5 2 mM '[U-99% 15N]' $entity_MG 2 mM 'natural abundance' 'Sodium Acetate' 20 mM 'natural abundance' stop_ save_ save_sample_2_15N_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CheY3_noBeF3_pH4-5 2 mM '[U-99% 13C; U-99% 15N]' $entity_MG 2 mM 'natural abundance' 'Sodium Acetate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'with cryoprobe' save_ save_Omega_750 _Saveframe_category NMR_spectrometer _Manufacturer Home-built _Model OMEGA _Field_strength 750 _Details 'home-built console and room temperature probe using GE OMEGA software' 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_15N save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1_15N save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2_15N_13C save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2_15N_13C save_ save_3D_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2_15N_13C save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2_15N_13C save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2_15N_13C save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2_15N_13C save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2_15N_13C save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1_15N save_ save_3D_(H)C(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CCO)NH' _Sample_label $sample_2_15N_13C save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1_15N save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1_15N save_ save_3D_1H-15N_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1_15N save_ save_3D_HBHA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2_15N_13C save_ save_3D_HNCACO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2_15N_13C save_ save_3D_H(CCO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2_15N_13C save_ save_2D_1H-13C_HSQC_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2_15N_13C save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCA' '3D CBCANH' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HN(CO)CA' '3D HNCO' '3D 1H-15N TOCSY' '3D (H)C(CCO)NH' '3D HBHA(CO)NH' '3D HNCACO' '3D H(CCO)NH' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_1_15N $sample_2_15N_13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CheY3_noBeF3_pH4.5 _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 -9 2 ARG C C 176.088 0.200 1 2 -9 2 ARG CA C 56.582 0.200 1 3 -9 2 ARG CB C 30.930 0.200 1 4 -8 3 GLY H H 8.600 0.020 1 5 -8 3 GLY HA3 H 3.989 0.020 1 6 -8 3 GLY C C 173.825 0.200 1 7 -8 3 GLY CA C 45.164 0.200 1 8 -8 3 GLY N N 111.123 0.200 1 9 -7 4 SER H H 8.227 0.020 1 10 -7 4 SER HA H 4.415 0.020 1 11 -7 4 SER HB3 H 3.782 0.020 1 12 -7 4 SER C C 174.488 0.200 1 13 -7 4 SER CA C 58.101 0.200 1 14 -7 4 SER CB C 63.965 0.200 1 15 -7 4 SER N N 115.138 0.200 1 16 -6 5 HIS H H 8.614 0.020 1 17 -6 5 HIS CA C 55.216 0.200 1 18 -6 5 HIS CB C 29.056 0.200 1 19 -6 5 HIS N N 120.311 0.200 1 20 -1 10 HIS C C 174.650 0.200 1 21 -1 10 HIS CA C 55.611 0.200 1 22 -1 10 HIS CB C 29.452 0.200 1 23 0 11 GLY H H 8.553 0.020 1 24 0 11 GLY HA2 H 4.024 0.020 2 25 0 11 GLY HA3 H 4.009 0.020 2 26 0 11 GLY C C 173.949 0.200 1 27 0 11 GLY CA C 45.082 0.200 1 28 0 11 GLY N N 111.448 0.200 1 29 1 12 SER H H 8.397 0.020 1 30 1 12 SER HA H 4.518 0.020 1 31 1 12 SER HB2 H 3.882 0.020 2 32 1 12 SER HB3 H 3.881 0.020 2 33 1 12 SER C C 174.570 0.200 1 34 1 12 SER CA C 58.438 0.200 1 35 1 12 SER CB C 64.049 0.200 1 36 1 12 SER N N 115.950 0.200 1 37 2 13 SER H H 8.390 0.020 1 38 2 13 SER HA H 4.531 0.020 1 39 2 13 SER HB2 H 3.852 0.020 2 40 2 13 SER HB3 H 3.874 0.020 2 41 2 13 SER C C 174.321 0.200 1 42 2 13 SER CA C 58.374 0.200 1 43 2 13 SER CB C 64.185 0.200 1 44 2 13 SER N N 117.901 0.200 1 45 3 14 ARG H H 8.598 0.020 1 46 3 14 ARG HA H 4.661 0.020 1 47 3 14 ARG HB2 H 1.890 0.020 2 48 3 14 ARG HB3 H 1.750 0.020 2 49 3 14 ARG HG2 H 1.734 0.020 1 50 3 14 ARG HG3 H 1.734 0.020 1 51 3 14 ARG HD2 H 3.076 0.020 2 52 3 14 ARG HD3 H 3.207 0.020 2 53 3 14 ARG C C 175.452 0.200 1 54 3 14 ARG CA C 55.542 0.200 1 55 3 14 ARG CB C 32.323 0.200 1 56 3 14 ARG CG C 27.401 0.200 1 57 3 14 ARG CD C 43.561 0.200 1 58 3 14 ARG N N 123.518 0.200 1 59 4 15 THR H H 9.872 0.020 1 60 4 15 THR HA H 5.285 0.020 1 61 4 15 THR HB H 4.095 0.020 1 62 4 15 THR HG2 H 1.049 0.020 1 63 4 15 THR C C 174.151 0.200 1 64 4 15 THR CA C 62.159 0.200 1 65 4 15 THR CB C 70.571 0.200 1 66 4 15 THR CG2 C 21.875 0.200 1 67 4 15 THR N N 119.361 0.200 1 68 5 16 VAL H H 9.408 0.020 1 69 5 16 VAL HA H 4.658 0.020 1 70 5 16 VAL HB H 1.719 0.020 1 71 5 16 VAL HG1 H 0.525 0.020 2 72 5 16 VAL HG2 H 0.525 0.020 2 73 5 16 VAL C C 173.555 0.200 1 74 5 16 VAL CA C 59.963 0.200 1 75 5 16 VAL CB C 34.842 0.200 1 76 5 16 VAL CG1 C 20.577 0.200 2 77 5 16 VAL CG2 C 21.155 0.200 2 78 5 16 VAL N N 128.662 0.200 1 79 6 17 LEU H H 8.232 0.020 1 80 6 17 LEU HA H 5.103 0.020 1 81 6 17 LEU HB2 H 1.164 0.020 2 82 6 17 LEU HB3 H 1.810 0.020 2 83 6 17 LEU HG H 1.308 0.020 1 84 6 17 LEU HD1 H 0.597 0.020 2 85 6 17 LEU HD2 H 0.739 0.020 2 86 6 17 LEU C C 173.107 0.200 1 87 6 17 LEU CA C 52.860 0.200 1 88 6 17 LEU CB C 44.739 0.200 1 89 6 17 LEU CG C 27.622 0.200 1 90 6 17 LEU CD1 C 23.479 0.200 2 91 6 17 LEU CD2 C 27.332 0.200 2 92 6 17 LEU N N 128.287 0.200 1 93 7 18 ALA H H 9.115 0.020 1 94 7 18 ALA HA H 5.099 0.020 1 95 7 18 ALA HB H 1.021 0.020 1 96 7 18 ALA C C 174.139 0.200 1 97 7 18 ALA CA C 49.951 0.200 1 98 7 18 ALA CB C 19.755 0.200 1 99 7 18 ALA N N 131.085 0.200 1 100 8 19 VAL H H 8.897 0.020 1 101 8 19 VAL HA H 4.334 0.020 1 102 8 19 VAL HB H 2.071 0.020 1 103 8 19 VAL HG1 H 0.404 0.020 2 104 8 19 VAL HG2 H 0.191 0.020 2 105 8 19 VAL C C 174.606 0.200 1 106 8 19 VAL CA C 60.522 0.200 1 107 8 19 VAL CB C 31.393 0.200 1 108 8 19 VAL CG1 C 20.605 0.200 2 109 8 19 VAL CG2 C 21.068 0.200 2 110 8 19 VAL N N 123.676 0.200 1 111 9 20 ASP H H 8.296 0.020 1 112 9 20 ASP HA H 4.269 0.020 1 113 9 20 ASP HB2 H 2.530 0.020 2 114 9 20 ASP HB3 H 2.351 0.020 2 115 9 20 ASP C C 173.708 0.200 1 116 9 20 ASP CA C 54.330 0.200 1 117 9 20 ASP CB C 42.759 0.200 1 118 9 20 ASP N N 122.798 0.200 1 119 10 21 ASP H H 9.179 0.020 1 120 10 21 ASP HA H 4.628 0.020 1 121 10 21 ASP HB2 H 2.793 0.020 2 122 10 21 ASP HB3 H 2.703 0.020 2 123 10 21 ASP C C 176.514 0.200 1 124 10 21 ASP CA C 54.930 0.200 1 125 10 21 ASP CB C 40.001 0.200 1 126 10 21 ASP N N 126.633 0.200 1 127 11 22 SER H H 8.279 0.020 1 128 11 22 SER C C 174.005 0.200 1 129 11 22 SER CA C 54.116 0.200 1 130 11 22 SER CB C 62.996 0.200 1 131 11 22 SER N N 117.622 0.200 1 132 12 23 PRO HA H 4.140 0.020 1 133 12 23 PRO HB2 H 2.035 0.020 2 134 12 23 PRO HB3 H 2.392 0.020 2 135 12 23 PRO HG2 H 2.200 0.020 2 136 12 23 PRO HG3 H 2.087 0.020 2 137 12 23 PRO HD2 H 4.110 0.020 2 138 12 23 PRO HD3 H 4.331 0.020 2 139 12 23 PRO C C 179.323 0.200 1 140 12 23 PRO CA C 64.979 0.200 1 141 12 23 PRO CB C 31.964 0.200 1 142 12 23 PRO CG C 27.599 0.200 1 143 12 23 PRO CD C 51.295 0.200 1 144 13 24 SER H H 7.911 0.020 1 145 13 24 SER HA H 4.201 0.020 1 146 13 24 SER HB2 H 3.821 0.020 2 147 13 24 SER HB3 H 3.819 0.020 2 148 13 24 SER C C 177.413 0.200 1 149 13 24 SER CA C 60.922 0.200 1 150 13 24 SER CB C 62.049 0.200 1 151 13 24 SER N N 113.307 0.200 1 152 14 25 VAL H H 7.526 0.020 1 153 14 25 VAL HA H 3.685 0.020 1 154 14 25 VAL HB H 1.855 0.020 1 155 14 25 VAL HG1 H 0.921 0.020 2 156 14 25 VAL HG2 H 0.879 0.020 2 157 14 25 VAL C C 177.848 0.200 1 158 14 25 VAL CA C 66.068 0.200 1 159 14 25 VAL CB C 31.937 0.200 1 160 14 25 VAL CG1 C 22.371 0.200 2 161 14 25 VAL CG2 C 22.184 0.200 2 162 14 25 VAL N N 124.522 0.200 1 163 15 26 ARG H H 8.272 0.020 1 164 15 26 ARG HA H 3.540 0.020 1 165 15 26 ARG HB2 H 1.819 0.020 1 166 15 26 ARG HB3 H 1.819 0.020 1 167 15 26 ARG HG2 H 1.558 0.020 2 168 15 26 ARG HG3 H 1.394 0.020 2 169 15 26 ARG HD2 H 3.154 0.020 1 170 15 26 ARG HD3 H 3.154 0.020 1 171 15 26 ARG C C 177.987 0.200 1 172 15 26 ARG CA C 60.939 0.200 1 173 15 26 ARG CB C 30.910 0.200 1 174 15 26 ARG CG C 29.362 0.200 1 175 15 26 ARG N N 118.664 0.200 1 176 16 27 SER H H 7.997 0.020 1 177 16 27 SER HA H 4.242 0.020 1 178 16 27 SER HB2 H 3.974 0.020 2 179 16 27 SER HB3 H 3.965 0.020 2 180 16 27 SER C C 176.533 0.200 1 181 16 27 SER CA C 61.437 0.200 1 182 16 27 SER CB C 62.737 0.200 1 183 16 27 SER N N 110.598 0.200 1 184 17 28 MET H H 7.466 0.020 1 185 17 28 MET HA H 4.240 0.020 1 186 17 28 MET HB2 H 2.715 0.020 2 187 17 28 MET HB3 H 2.466 0.020 2 188 17 28 MET HG2 H 2.129 0.020 2 189 17 28 MET HG3 H 2.334 0.020 2 190 17 28 MET C C 179.690 0.200 1 191 17 28 MET CA C 59.342 0.200 1 192 17 28 MET CB C 32.258 0.200 1 193 17 28 MET CG C 32.089 0.200 1 194 17 28 MET N N 122.312 0.200 1 195 18 29 VAL H H 8.624 0.020 1 196 18 29 VAL HA H 3.430 0.020 1 197 18 29 VAL HB H 2.136 0.020 1 198 18 29 VAL HG1 H 0.754 0.020 2 199 18 29 VAL HG2 H 1.075 0.020 2 200 18 29 VAL C C 176.951 0.200 1 201 18 29 VAL CA C 66.520 0.200 1 202 18 29 VAL CB C 31.790 0.200 1 203 18 29 VAL CG1 C 22.082 0.200 2 204 18 29 VAL CG2 C 23.261 0.200 2 205 18 29 VAL N N 122.677 0.200 1 206 19 30 ALA H H 8.752 0.020 1 207 19 30 ALA HA H 3.917 0.020 1 208 19 30 ALA HB H 1.374 0.020 1 209 19 30 ALA C C 179.325 0.200 1 210 19 30 ALA CA C 55.775 0.200 1 211 19 30 ALA CB C 18.298 0.200 1 212 19 30 ALA N N 120.475 0.200 1 213 20 31 MET H H 8.664 0.020 1 214 20 31 MET HA H 4.149 0.020 1 215 20 31 MET HB2 H 2.616 0.020 2 216 20 31 MET HB3 H 2.586 0.020 2 217 20 31 MET HG2 H 2.262 0.020 2 218 20 31 MET HG3 H 2.174 0.020 2 219 20 31 MET C C 178.813 0.200 1 220 20 31 MET CA C 59.027 0.200 1 221 20 31 MET CB C 32.227 0.200 1 222 20 31 MET N N 116.053 0.200 1 223 21 32 THR H H 7.887 0.020 1 224 21 32 THR HA H 3.881 0.020 1 225 21 32 THR HB H 4.238 0.020 1 226 21 32 THR HG2 H 1.252 0.020 1 227 21 32 THR C C 176.740 0.200 1 228 21 32 THR CA C 67.061 0.200 1 229 21 32 THR CB C 68.563 0.200 1 230 21 32 THR CG2 C 21.997 0.200 1 231 21 32 THR N N 116.002 0.200 1 232 22 33 LEU H H 8.057 0.020 1 233 22 33 LEU HA H 4.131 0.020 1 234 22 33 LEU HB2 H 1.946 0.020 2 235 22 33 LEU HB3 H 1.123 0.020 2 236 22 33 LEU HG H 1.831 0.020 1 237 22 33 LEU HD1 H 0.569 0.020 2 238 22 33 LEU HD2 H 0.437 0.020 2 239 22 33 LEU C C 179.282 0.200 1 240 22 33 LEU CA C 57.761 0.200 1 241 22 33 LEU CB C 40.910 0.200 1 242 22 33 LEU CG C 27.095 0.200 1 243 22 33 LEU CD1 C 26.328 0.200 2 244 22 33 LEU CD2 C 22.698 0.200 2 245 22 33 LEU N N 118.952 0.200 1 246 23 34 ARG H H 8.766 0.020 1 247 23 34 ARG HA H 4.752 0.020 1 248 23 34 ARG HB2 H 1.953 0.020 1 249 23 34 ARG HB3 H 1.953 0.020 1 250 23 34 ARG HG3 H 1.770 0.020 1 251 23 34 ARG HD2 H 3.217 0.020 1 252 23 34 ARG HD3 H 3.217 0.020 1 253 23 34 ARG C C 181.865 0.200 1 254 23 34 ARG CA C 59.943 0.200 1 255 23 34 ARG CB C 29.838 0.200 1 256 23 34 ARG N N 121.200 0.200 1 257 24 35 GLU H H 8.114 0.020 1 258 24 35 GLU HA H 4.130 0.020 1 259 24 35 GLU HB2 H 2.249 0.020 2 260 24 35 GLU HB3 H 2.213 0.020 2 261 24 35 GLU HG2 H 2.592 0.020 2 262 24 35 GLU HG3 H 2.461 0.020 2 263 24 35 GLU C C 177.197 0.200 1 264 24 35 GLU CA C 58.812 0.200 1 265 24 35 GLU CB C 28.454 0.200 1 266 24 35 GLU CG C 35.171 0.200 1 267 24 35 GLU N N 120.377 0.200 1 268 25 36 ALA H H 7.293 0.020 1 269 25 36 ALA HA H 4.493 0.020 1 270 25 36 ALA HB H 1.677 0.020 1 271 25 36 ALA C C 176.720 0.200 1 272 25 36 ALA CA C 51.791 0.200 1 273 25 36 ALA CB C 19.589 0.200 1 274 25 36 ALA N N 119.268 0.200 1 275 26 37 GLY H H 7.713 0.020 1 276 26 37 GLY HA2 H 3.660 0.020 2 277 26 37 GLY HA3 H 4.107 0.020 2 278 26 37 GLY C C 174.563 0.200 1 279 26 37 GLY CA C 45.433 0.200 1 280 26 37 GLY N N 105.531 0.200 1 281 27 38 TYR H H 8.036 0.020 1 282 27 38 TYR HA H 4.596 0.020 1 283 27 38 TYR HB2 H 2.369 0.020 2 284 27 38 TYR HB3 H 2.862 0.020 2 285 27 38 TYR HD1 H 7.063 0.020 3 286 27 38 TYR HD2 H 7.063 0.020 3 287 27 38 TYR HE1 H 6.490 0.020 3 288 27 38 TYR HE2 H 6.490 0.020 3 289 27 38 TYR C C 175.983 0.200 1 290 27 38 TYR CA C 58.237 0.200 1 291 27 38 TYR CB C 38.660 0.200 1 292 27 38 TYR CD1 C 133.133 0.200 3 293 27 38 TYR CD2 C 133.133 0.200 3 294 27 38 TYR CE1 C 117.462 0.200 3 295 27 38 TYR CE2 C 117.462 0.200 3 296 27 38 TYR N N 119.828 0.200 1 297 28 39 ARG H H 8.737 0.020 1 298 28 39 ARG HA H 4.567 0.020 1 299 28 39 ARG HB2 H 1.907 0.020 2 300 28 39 ARG HB3 H 1.796 0.020 2 301 28 39 ARG HG2 H 1.749 0.020 2 302 28 39 ARG HG3 H 1.405 0.020 2 303 28 39 ARG HD2 H 3.166 0.020 1 304 28 39 ARG HD3 H 3.166 0.020 1 305 28 39 ARG C C 175.466 0.200 1 306 28 39 ARG CA C 55.730 0.200 1 307 28 39 ARG CB C 30.760 0.200 1 308 28 39 ARG CG C 28.240 0.200 1 309 28 39 ARG CD C 43.405 0.200 1 310 28 39 ARG N N 122.440 0.200 1 311 29 40 VAL H H 8.827 0.020 1 312 29 40 VAL HA H 5.302 0.020 1 313 29 40 VAL HB H 1.841 0.020 1 314 29 40 VAL HG1 H 0.943 0.020 2 315 29 40 VAL HG2 H 0.788 0.020 2 316 29 40 VAL C C 175.944 0.200 1 317 29 40 VAL CA C 60.568 0.200 1 318 29 40 VAL CB C 34.681 0.200 1 319 29 40 VAL CG1 C 23.614 0.200 2 320 29 40 VAL CG2 C 21.083 0.200 2 321 29 40 VAL N N 124.895 0.200 1 322 30 41 ILE H H 8.789 0.020 1 323 30 41 ILE HA H 4.432 0.020 1 324 30 41 ILE HB H 1.556 0.020 1 325 30 41 ILE HG12 H 0.923 0.020 2 326 30 41 ILE HG13 H 1.331 0.020 2 327 30 41 ILE HG2 H 0.836 0.020 1 328 30 41 ILE HD1 H 0.674 0.020 1 329 30 41 ILE C C 174.295 0.200 1 330 30 41 ILE CA C 59.694 0.200 1 331 30 41 ILE CB C 40.506 0.200 1 332 30 41 ILE CG1 C 26.389 0.200 1 333 30 41 ILE CG2 C 17.910 0.200 1 334 30 41 ILE CD1 C 13.798 0.200 1 335 30 41 ILE N N 127.072 0.200 1 336 31 42 GLU H H 8.815 0.020 1 337 31 42 GLU HA H 5.077 0.020 1 338 31 42 GLU HB2 H 1.847 0.020 1 339 31 42 GLU HB3 H 1.847 0.020 1 340 31 42 GLU HG2 H 1.888 0.020 2 341 31 42 GLU HG3 H 2.064 0.020 2 342 31 42 GLU C C 174.692 0.200 1 343 31 42 GLU CA C 55.642 0.200 1 344 31 42 GLU CB C 33.892 0.200 1 345 31 42 GLU CG C 37.751 0.200 1 346 31 42 GLU N N 124.263 0.200 1 347 32 43 ALA H H 8.665 0.020 1 348 32 43 ALA HA H 4.750 0.020 1 349 32 43 ALA HB H 1.208 0.020 1 350 32 43 ALA C C 176.242 0.200 1 351 32 43 ALA CA C 50.510 0.200 1 352 32 43 ALA CB C 23.076 0.200 1 353 32 43 ALA N N 121.414 0.200 1 354 33 44 THR H H 8.662 0.020 1 355 33 44 THR HA H 4.421 0.020 1 356 33 44 THR HB H 4.336 0.020 1 357 33 44 THR HG2 H 1.141 0.020 1 358 33 44 THR C C 172.974 0.200 1 359 33 44 THR CA C 62.253 0.200 1 360 33 44 THR CB C 69.792 0.200 1 361 33 44 THR CG2 C 21.399 0.200 1 362 33 44 THR N N 110.227 0.200 1 363 34 45 ASP H H 7.228 0.020 1 364 34 45 ASP HA H 4.420 0.020 1 365 34 45 ASP HB2 H 2.915 0.020 2 366 34 45 ASP HB3 H 3.102 0.020 2 367 34 45 ASP C C 175.554 0.200 1 368 34 45 ASP CA C 52.668 0.200 1 369 34 45 ASP CB C 42.370 0.200 1 370 34 45 ASP N N 113.892 0.200 1 371 35 46 GLY H H 8.854 0.020 1 372 35 46 GLY HA2 H 3.331 0.020 2 373 35 46 GLY HA3 H 4.015 0.020 2 374 35 46 GLY C C 175.302 0.200 1 375 35 46 GLY CA C 46.443 0.200 1 376 35 46 GLY N N 106.023 0.200 1 377 36 47 ARG H H 8.289 0.020 1 378 36 47 ARG HA H 4.161 0.020 1 379 36 47 ARG HB2 H 1.987 0.020 2 380 36 47 ARG HB3 H 1.968 0.020 2 381 36 47 ARG HG2 H 1.748 0.020 2 382 36 47 ARG HG3 H 1.584 0.020 2 383 36 47 ARG HD2 H 3.246 0.020 1 384 36 47 ARG HD3 H 3.246 0.020 1 385 36 47 ARG C C 178.962 0.200 1 386 36 47 ARG CA C 59.527 0.200 1 387 36 47 ARG CB C 29.423 0.200 1 388 36 47 ARG CG C 26.754 0.200 1 389 36 47 ARG CD C 43.154 0.200 1 390 36 47 ARG N N 125.269 0.200 1 391 37 48 GLU H H 9.097 0.020 1 392 37 48 GLU HA H 4.070 0.020 1 393 37 48 GLU HB2 H 2.066 0.020 2 394 37 48 GLU HB3 H 1.993 0.020 2 395 37 48 GLU HG2 H 2.500 0.020 2 396 37 48 GLU HG3 H 2.213 0.020 2 397 37 48 GLU C C 179.107 0.200 1 398 37 48 GLU CA C 58.610 0.200 1 399 37 48 GLU CB C 29.886 0.200 1 400 37 48 GLU CG C 36.242 0.200 1 401 37 48 GLU N N 122.105 0.200 1 402 38 49 GLY H H 8.397 0.020 1 403 38 49 GLY HA2 H 2.951 0.020 2 404 38 49 GLY HA3 H 3.159 0.020 2 405 38 49 GLY C C 173.623 0.200 1 406 38 49 GLY CA C 47.958 0.200 1 407 38 49 GLY N N 105.179 0.200 1 408 39 50 LEU H H 7.787 0.020 1 409 39 50 LEU HA H 4.070 0.020 1 410 39 50 LEU HB2 H 1.726 0.020 2 411 39 50 LEU HB3 H 2.016 0.020 2 412 39 50 LEU HG H 1.710 0.020 1 413 39 50 LEU HD1 H 0.978 0.020 2 414 39 50 LEU HD2 H 0.975 0.020 2 415 39 50 LEU C C 177.193 0.200 1 416 39 50 LEU CA C 58.377 0.200 1 417 39 50 LEU CB C 41.849 0.200 1 418 39 50 LEU CG C 26.741 0.200 1 419 39 50 LEU CD1 C 25.535 0.200 2 420 39 50 LEU CD2 C 23.396 0.200 2 421 39 50 LEU N N 122.226 0.200 1 422 40 51 GLU H H 7.637 0.020 1 423 40 51 GLU HA H 3.941 0.020 1 424 40 51 GLU HB2 H 2.157 0.020 2 425 40 51 GLU HB3 H 2.163 0.020 2 426 40 51 GLU HG2 H 2.476 0.020 2 427 40 51 GLU HG3 H 2.308 0.020 2 428 40 51 GLU C C 180.856 0.200 1 429 40 51 GLU CA C 59.379 0.200 1 430 40 51 GLU CB C 28.833 0.200 1 431 40 51 GLU CG C 34.887 0.200 1 432 40 51 GLU N N 116.534 0.200 1 433 41 52 LYS H H 8.389 0.020 1 434 41 52 LYS HA H 4.021 0.020 1 435 41 52 LYS HB2 H 1.878 0.020 2 436 41 52 LYS HB3 H 1.868 0.020 2 437 41 52 LYS HG2 H 1.542 0.020 2 438 41 52 LYS HG3 H 1.419 0.020 2 439 41 52 LYS HD2 H 1.715 0.020 2 440 41 52 LYS HD3 H 1.716 0.020 2 441 41 52 LYS HE2 H 2.997 0.020 1 442 41 52 LYS HE3 H 2.997 0.020 1 443 41 52 LYS C C 177.658 0.200 1 444 41 52 LYS CA C 59.473 0.200 1 445 41 52 LYS CB C 33.193 0.200 1 446 41 52 LYS CG C 24.967 0.200 1 447 41 52 LYS CD C 29.149 0.200 1 448 41 52 LYS CE C 42.245 0.200 1 449 41 52 LYS N N 118.369 0.200 1 450 42 53 ALA H H 8.326 0.020 1 451 42 53 ALA HA H 3.820 0.020 1 452 42 53 ALA HB H 1.019 0.020 1 453 42 53 ALA C C 177.678 0.200 1 454 42 53 ALA CA C 54.510 0.200 1 455 42 53 ALA CB C 18.331 0.200 1 456 42 53 ALA N N 120.080 0.200 1 457 43 54 LEU H H 7.473 0.020 1 458 43 54 LEU HA H 4.399 0.020 1 459 43 54 LEU HB2 H 1.493 0.020 2 460 43 54 LEU HB3 H 1.774 0.020 2 461 43 54 LEU HG H 1.869 0.020 1 462 43 54 LEU HD1 H 0.618 0.020 2 463 43 54 LEU HD2 H 0.419 0.020 2 464 43 54 LEU C C 178.183 0.200 1 465 43 54 LEU CA C 55.082 0.200 1 466 43 54 LEU CB C 41.947 0.200 1 467 43 54 LEU CG C 26.313 0.200 1 468 43 54 LEU CD1 C 22.351 0.200 2 469 43 54 LEU CD2 C 24.726 0.200 2 470 43 54 LEU N N 111.227 0.200 1 471 44 55 SER H H 7.706 0.020 1 472 44 55 SER HA H 4.594 0.020 1 473 44 55 SER HB2 H 3.938 0.020 2 474 44 55 SER HB3 H 3.995 0.020 2 475 44 55 SER C C 173.854 0.200 1 476 44 55 SER CA C 59.469 0.200 1 477 44 55 SER CB C 65.169 0.200 1 478 44 55 SER N N 112.857 0.200 1 479 45 56 GLU H H 7.987 0.020 1 480 45 56 GLU HA H 4.901 0.020 1 481 45 56 GLU HB2 H 1.907 0.020 2 482 45 56 GLU HB3 H 1.911 0.020 2 483 45 56 GLU HG2 H 2.143 0.020 2 484 45 56 GLU HG3 H 2.361 0.020 2 485 45 56 GLU C C 173.556 0.200 1 486 45 56 GLU CA C 53.518 0.200 1 487 45 56 GLU CB C 30.257 0.200 1 488 45 56 GLU CG C 34.647 0.200 1 489 45 56 GLU N N 121.908 0.200 1 490 46 57 PRO HA H 4.599 0.020 1 491 46 57 PRO HB2 H 2.068 0.020 1 492 46 57 PRO HB3 H 2.068 0.020 1 493 46 57 PRO HG2 H 2.034 0.020 1 494 46 57 PRO HG3 H 2.034 0.020 1 495 46 57 PRO HD2 H 3.742 0.020 1 496 46 57 PRO HD3 H 3.742 0.020 1 497 46 57 PRO C C 175.951 0.200 1 498 46 57 PRO CA C 62.897 0.200 1 499 46 57 PRO CB C 30.007 0.200 1 500 46 57 PRO CG C 27.811 0.200 1 501 46 57 PRO CD C 50.258 0.200 1 502 47 58 VAL H H 7.980 0.020 1 503 47 58 VAL HA H 4.069 0.020 1 504 47 58 VAL HB H 2.035 0.020 1 505 47 58 VAL HG1 H 0.847 0.020 2 506 47 58 VAL HG2 H 0.843 0.020 2 507 47 58 VAL C C 174.351 0.200 1 508 47 58 VAL CA C 61.027 0.200 1 509 47 58 VAL CB C 34.488 0.200 1 510 47 58 VAL CG1 C 20.264 0.200 2 511 47 58 VAL CG2 C 23.085 0.200 2 512 47 58 VAL N N 118.929 0.200 1 513 48 59 ASP H H 9.180 0.020 1 514 48 59 ASP HA H 4.971 0.020 1 515 48 59 ASP HB2 H 2.671 0.020 2 516 48 59 ASP HB3 H 2.803 0.020 2 517 48 59 ASP C C 175.305 0.200 1 518 48 59 ASP CA C 55.878 0.200 1 519 48 59 ASP CB C 43.644 0.200 1 520 48 59 ASP N N 121.140 0.200 1 521 49 60 ALA H H 7.744 0.020 1 522 49 60 ALA HA H 4.815 0.020 1 523 49 60 ALA HB H 1.256 0.020 1 524 49 60 ALA C C 174.461 0.200 1 525 49 60 ALA CA C 51.308 0.200 1 526 49 60 ALA CB C 22.760 0.200 1 527 49 60 ALA N N 115.975 0.200 1 528 50 61 ILE H H 8.413 0.020 1 529 50 61 ILE HA H 5.037 0.020 1 530 50 61 ILE HB H 1.636 0.020 1 531 50 61 ILE HG12 H 1.301 0.020 2 532 50 61 ILE HG13 H 0.934 0.020 2 533 50 61 ILE HG2 H 0.759 0.020 1 534 50 61 ILE HD1 H 0.390 0.020 1 535 50 61 ILE C C 173.660 0.200 1 536 50 61 ILE CA C 59.869 0.200 1 537 50 61 ILE CB C 42.387 0.200 1 538 50 61 ILE CG1 C 28.954 0.200 1 539 50 61 ILE CG2 C 17.963 0.200 1 540 50 61 ILE CD1 C 15.029 0.200 1 541 50 61 ILE N N 119.519 0.200 1 542 51 62 ILE H H 9.249 0.020 1 543 51 62 ILE HA H 5.063 0.020 1 544 51 62 ILE HB H 1.401 0.020 1 545 51 62 ILE HG12 H 1.354 0.020 2 546 51 62 ILE HG13 H 0.744 0.020 2 547 51 62 ILE HG2 H 0.668 0.020 1 548 51 62 ILE HD1 H 0.568 0.020 1 549 51 62 ILE C C 174.394 0.200 1 550 51 62 ILE CA C 59.487 0.200 1 551 51 62 ILE CB C 41.164 0.200 1 552 51 62 ILE CG1 C 27.610 0.200 1 553 51 62 ILE CG2 C 16.761 0.200 1 554 51 62 ILE CD1 C 15.114 0.200 1 555 51 62 ILE N N 126.449 0.200 1 556 52 63 THR H H 8.807 0.020 1 557 52 63 THR HA H 5.442 0.020 1 558 52 63 THR HB H 3.647 0.020 1 559 52 63 THR HG2 H 1.253 0.020 1 560 52 63 THR C C 169.906 0.200 1 561 52 63 THR CA C 59.339 0.200 1 562 52 63 THR CB C 71.107 0.200 1 563 52 63 THR CG2 C 19.934 0.200 1 564 52 63 THR N N 120.667 0.200 1 565 53 64 ASP H H 7.517 0.020 1 566 53 64 ASP HA H 5.050 0.020 1 567 53 64 ASP HB2 H 2.756 0.020 2 568 53 64 ASP HB3 H 2.747 0.020 2 569 53 64 ASP C C 172.552 0.200 1 570 53 64 ASP CA C 50.670 0.200 1 571 53 64 ASP CB C 41.115 0.200 1 572 53 64 ASP N N 126.368 0.200 1 573 54 65 GLN H H 9.018 0.020 1 574 54 65 GLN HA H 4.548 0.020 1 575 54 65 GLN HB2 H 2.442 0.020 2 576 54 65 GLN HB3 H 2.189 0.020 2 577 54 65 GLN HG2 H 2.536 0.020 2 578 54 65 GLN HG3 H 2.792 0.020 2 579 54 65 GLN HE21 H 7.061 0.020 1 580 54 65 GLN HE22 H 7.689 0.020 1 581 54 65 GLN C C 173.660 0.200 1 582 54 65 GLN CA C 56.265 0.200 1 583 54 65 GLN CB C 30.103 0.200 1 584 54 65 GLN CG C 32.205 0.200 1 585 54 65 GLN N N 118.943 0.200 1 586 54 65 GLN NE2 N 109.144 0.200 1 587 55 66 ASN H H 9.259 0.020 1 588 55 66 ASN HA H 5.028 0.020 1 589 55 66 ASN HB2 H 2.845 0.020 2 590 55 66 ASN HB3 H 3.099 0.020 2 591 55 66 ASN HD21 H 6.647 0.020 1 592 55 66 ASN HD22 H 9.418 0.020 1 593 55 66 ASN C C 174.498 0.200 1 594 55 66 ASN CA C 52.765 0.200 1 595 55 66 ASN CB C 38.807 0.200 1 596 55 66 ASN N N 123.933 0.200 1 597 55 66 ASN ND2 N 116.595 0.200 1 598 56 67 MET H H 9.293 0.020 1 599 56 67 MET HA H 4.281 0.020 1 600 56 67 MET HB2 H 2.074 0.020 2 601 56 67 MET HB3 H 2.073 0.020 2 602 56 67 MET HG2 H 2.543 0.020 2 603 56 67 MET HG3 H 2.814 0.020 2 604 56 67 MET CA C 54.559 0.200 1 605 56 67 MET CB C 30.960 0.200 1 606 56 67 MET CG C 33.381 0.200 1 607 56 67 MET N N 126.619 0.200 1 608 57 68 PRO HA H 4.637 0.020 1 609 57 68 PRO HB2 H 2.350 0.020 2 610 57 68 PRO HB3 H 2.315 0.020 2 611 57 68 PRO C C 176.214 0.200 1 612 57 68 PRO CA C 63.685 0.200 1 613 57 68 PRO CB C 34.700 0.200 1 614 58 69 ASN H H 8.319 0.020 1 615 58 69 ASN HA H 4.545 0.020 1 616 58 69 ASN HB2 H 2.923 0.020 1 617 58 69 ASN HB3 H 2.923 0.020 1 618 58 69 ASN HD21 H 7.071 0.020 1 619 58 69 ASN HD22 H 8.073 0.020 1 620 58 69 ASN C C 175.069 0.200 1 621 58 69 ASN CA C 56.522 0.200 1 622 58 69 ASN CB C 39.069 0.200 1 623 58 69 ASN N N 122.884 0.200 1 624 58 69 ASN ND2 N 113.790 0.200 1 625 59 70 LEU H H 8.167 0.020 1 626 59 70 LEU HA H 4.557 0.020 1 627 59 70 LEU HB2 H 1.753 0.020 2 628 59 70 LEU HB3 H 1.154 0.020 2 629 59 70 LEU HG H 1.485 0.020 1 630 59 70 LEU HD1 H 0.705 0.020 2 631 59 70 LEU HD2 H 0.556 0.020 2 632 59 70 LEU C C 173.259 0.200 1 633 59 70 LEU CA C 54.160 0.200 1 634 59 70 LEU CB C 42.940 0.200 1 635 59 70 LEU CG C 27.508 0.200 1 636 59 70 LEU CD1 C 27.633 0.200 2 637 59 70 LEU CD2 C 22.425 0.200 2 638 59 70 LEU N N 120.094 0.200 1 639 60 71 ASP H H 8.798 0.020 1 640 60 71 ASP HA H 5.019 0.020 1 641 60 71 ASP HB2 H 2.607 0.020 2 642 60 71 ASP HB3 H 3.060 0.020 2 643 60 71 ASP C C 177.463 0.200 1 644 60 71 ASP CA C 51.977 0.200 1 645 60 71 ASP CB C 39.589 0.200 1 646 60 71 ASP N N 128.463 0.200 1 647 61 72 GLY H H 8.255 0.020 1 648 61 72 GLY HA2 H 4.044 0.020 1 649 61 72 GLY HA3 H 4.044 0.020 1 650 61 72 GLY C C 176.253 0.200 1 651 61 72 GLY CA C 48.209 0.200 1 652 61 72 GLY N N 117.036 0.200 1 653 62 73 LEU H H 8.801 0.020 1 654 62 73 LEU HA H 4.053 0.020 1 655 62 73 LEU HB2 H 1.414 0.020 2 656 62 73 LEU HB3 H 1.987 0.020 2 657 62 73 LEU HG H 1.711 0.020 1 658 62 73 LEU HD1 H 0.859 0.020 2 659 62 73 LEU HD2 H 0.387 0.020 2 660 62 73 LEU C C 179.298 0.200 1 661 62 73 LEU CA C 58.282 0.200 1 662 62 73 LEU CB C 41.362 0.200 1 663 62 73 LEU CG C 26.962 0.200 1 664 62 73 LEU CD1 C 25.256 0.200 2 665 62 73 LEU CD2 C 22.993 0.200 2 666 62 73 LEU N N 122.496 0.200 1 667 63 74 GLY H H 8.636 0.020 1 668 63 74 GLY HA2 H 3.801 0.020 2 669 63 74 GLY HA3 H 3.786 0.020 2 670 63 74 GLY C C 177.130 0.200 1 671 63 74 GLY CA C 47.506 0.200 1 672 63 74 GLY N N 108.174 0.200 1 673 64 75 PHE H H 8.094 0.020 1 674 64 75 PHE HA H 4.668 0.020 1 675 64 75 PHE HB2 H 3.411 0.020 2 676 64 75 PHE HB3 H 3.532 0.020 2 677 64 75 PHE HD1 H 7.378 0.020 3 678 64 75 PHE HD2 H 7.378 0.020 3 679 64 75 PHE HE1 H 6.749 0.020 3 680 64 75 PHE HE2 H 6.749 0.020 3 681 64 75 PHE HZ H 6.449 0.020 1 682 64 75 PHE C C 175.837 0.200 1 683 64 75 PHE CA C 59.969 0.200 1 684 64 75 PHE CB C 38.171 0.200 1 685 64 75 PHE CD1 C 132.516 0.200 3 686 64 75 PHE CD2 C 132.516 0.200 3 687 64 75 PHE CE1 C 129.503 0.200 3 688 64 75 PHE CE2 C 129.503 0.200 3 689 64 75 PHE CZ C 127.799 0.200 1 690 64 75 PHE N N 124.449 0.200 1 691 65 76 ILE H H 8.340 0.020 1 692 65 76 ILE HA H 3.133 0.020 1 693 65 76 ILE HB H 1.995 0.020 1 694 65 76 ILE HG12 H 2.174 0.020 2 695 65 76 ILE HG13 H 1.089 0.020 2 696 65 76 ILE HG2 H 0.801 0.020 1 697 65 76 ILE HD1 H 0.793 0.020 1 698 65 76 ILE C C 177.661 0.200 1 699 65 76 ILE CA C 66.216 0.200 1 700 65 76 ILE CB C 37.410 0.200 1 701 65 76 ILE CG1 C 28.818 0.200 1 702 65 76 ILE CG2 C 17.845 0.200 1 703 65 76 ILE CD1 C 14.174 0.200 1 704 65 76 ILE N N 120.259 0.200 1 705 66 77 ARG H H 8.212 0.020 1 706 66 77 ARG HA H 3.962 0.020 1 707 66 77 ARG HB2 H 1.887 0.020 2 708 66 77 ARG HB3 H 1.883 0.020 2 709 66 77 ARG HG2 H 1.636 0.020 1 710 66 77 ARG HG3 H 1.636 0.020 1 711 66 77 ARG HD2 H 3.198 0.020 1 712 66 77 ARG HD3 H 3.198 0.020 1 713 66 77 ARG C C 179.032 0.200 1 714 66 77 ARG CA C 59.954 0.200 1 715 66 77 ARG CB C 30.399 0.200 1 716 66 77 ARG CG C 28.416 0.200 1 717 66 77 ARG CD C 43.555 0.200 1 718 66 77 ARG N N 117.166 0.200 1 719 67 78 ALA H H 7.995 0.020 1 720 67 78 ALA HA H 4.203 0.020 1 721 67 78 ALA HB H 1.615 0.020 1 722 67 78 ALA C C 181.316 0.200 1 723 67 78 ALA CA C 54.867 0.200 1 724 67 78 ALA CB C 18.700 0.200 1 725 67 78 ALA N N 120.348 0.200 1 726 68 79 PHE H H 8.918 0.020 1 727 68 79 PHE HA H 4.221 0.020 1 728 68 79 PHE HB2 H 2.730 0.020 1 729 68 79 PHE HB3 H 2.730 0.020 1 730 68 79 PHE HD1 H 6.901 0.020 3 731 68 79 PHE HD2 H 6.901 0.020 3 732 68 79 PHE C C 177.741 0.200 1 733 68 79 PHE CA C 60.402 0.200 1 734 68 79 PHE CB C 39.083 0.200 1 735 68 79 PHE N N 119.911 0.200 1 736 69 80 ARG H H 8.268 0.020 1 737 69 80 ARG HA H 4.262 0.020 1 738 69 80 ARG HB2 H 1.941 0.020 2 739 69 80 ARG HB3 H 1.984 0.020 2 740 69 80 ARG HD2 H 3.211 0.020 1 741 69 80 ARG HD3 H 3.211 0.020 1 742 69 80 ARG C C 176.705 0.200 1 743 69 80 ARG CA C 57.199 0.200 1 744 69 80 ARG CB C 29.227 0.200 1 745 69 80 ARG CD C 43.372 0.200 1 746 69 80 ARG N N 115.422 0.200 1 747 70 81 GLU H H 7.201 0.020 1 748 70 81 GLU HA H 4.159 0.020 1 749 70 81 GLU HB2 H 2.029 0.020 2 750 70 81 GLU HB3 H 2.034 0.020 2 751 70 81 GLU HG2 H 2.686 0.020 2 752 70 81 GLU HG3 H 2.360 0.020 2 753 70 81 GLU C C 176.841 0.200 1 754 70 81 GLU CA C 57.114 0.200 1 755 70 81 GLU CB C 29.368 0.200 1 756 70 81 GLU CG C 35.009 0.200 1 757 70 81 GLU N N 116.350 0.200 1 758 71 82 HIS H H 8.094 0.020 1 759 71 82 HIS HA H 4.853 0.020 1 760 71 82 HIS HB2 H 3.694 0.020 2 761 71 82 HIS HB3 H 3.221 0.020 2 762 71 82 HIS C C 174.212 0.200 1 763 71 82 HIS CA C 53.163 0.200 1 764 71 82 HIS CB C 27.965 0.200 1 765 71 82 HIS N N 117.632 0.200 1 766 72 83 PRO HA H 4.337 0.020 1 767 72 83 PRO HB2 H 2.385 0.020 2 768 72 83 PRO HB3 H 2.022 0.020 2 769 72 83 PRO HG2 H 2.151 0.020 1 770 72 83 PRO C C 178.183 0.200 1 771 72 83 PRO CA C 65.211 0.200 1 772 72 83 PRO CB C 31.664 0.200 1 773 73 84 GLU H H 10.034 0.020 1 774 73 84 GLU HA H 4.109 0.020 1 775 73 84 GLU HB2 H 2.193 0.020 2 776 73 84 GLU HB3 H 1.927 0.020 2 777 73 84 GLU HG2 H 2.739 0.020 2 778 73 84 GLU HG3 H 2.474 0.020 2 779 73 84 GLU C C 176.474 0.200 1 780 73 84 GLU CA C 59.864 0.200 1 781 73 84 GLU CB C 28.925 0.200 1 782 73 84 GLU CG C 37.195 0.200 1 783 73 84 GLU N N 119.727 0.200 1 784 74 85 SER H H 7.637 0.020 1 785 74 85 SER HA H 3.788 0.020 1 786 74 85 SER HB2 H 2.301 0.020 2 787 74 85 SER HB3 H 3.091 0.020 2 788 74 85 SER C C 175.980 0.200 1 789 74 85 SER CA C 59.212 0.200 1 790 74 85 SER CB C 63.817 0.200 1 791 74 85 SER N N 111.354 0.200 1 792 75 86 LYS H H 7.327 0.020 1 793 75 86 LYS HA H 4.016 0.020 1 794 75 86 LYS HB2 H 1.877 0.020 2 795 75 86 LYS HB3 H 1.851 0.020 2 796 75 86 LYS HG2 H 1.526 0.020 2 797 75 86 LYS HG3 H 1.400 0.020 2 798 75 86 LYS HD3 H 1.714 0.020 1 799 75 86 LYS HE2 H 2.991 0.020 1 800 75 86 LYS HE3 H 2.991 0.020 1 801 75 86 LYS C C 177.918 0.200 1 802 75 86 LYS CA C 58.535 0.200 1 803 75 86 LYS CB C 31.961 0.200 1 804 75 86 LYS CG C 25.231 0.200 1 805 75 86 LYS CD C 29.205 0.200 1 806 75 86 LYS N N 124.954 0.200 1 807 76 87 GLY H H 9.094 0.020 1 808 76 87 GLY HA2 H 3.842 0.020 2 809 76 87 GLY HA3 H 4.155 0.020 2 810 76 87 GLY C C 174.443 0.200 1 811 76 87 GLY CA C 45.680 0.200 1 812 76 87 GLY N N 113.535 0.200 1 813 77 88 LYS H H 7.507 0.020 1 814 77 88 LYS HA H 4.916 0.020 1 815 77 88 LYS HB2 H 1.535 0.020 2 816 77 88 LYS HB3 H 2.038 0.020 2 817 77 88 LYS HG2 H 1.570 0.020 2 818 77 88 LYS HG3 H 1.448 0.020 2 819 77 88 LYS HD2 H 1.735 0.020 1 820 77 88 LYS HD3 H 1.735 0.020 1 821 77 88 LYS HE2 H 3.296 0.020 1 822 77 88 LYS HE3 H 3.296 0.020 1 823 77 88 LYS C C 173.903 0.200 1 824 77 88 LYS CA C 52.769 0.200 1 825 77 88 LYS CB C 32.017 0.200 1 826 77 88 LYS CG C 24.769 0.200 1 827 77 88 LYS CD C 28.890 0.200 1 828 77 88 LYS CE C 42.844 0.200 1 829 77 88 LYS N N 120.052 0.200 1 830 78 89 PRO HA H 4.563 0.020 1 831 78 89 PRO HB2 H 2.359 0.020 2 832 78 89 PRO HB3 H 1.684 0.020 2 833 78 89 PRO HG2 H 2.103 0.020 2 834 78 89 PRO HG3 H 2.076 0.020 2 835 78 89 PRO HD2 H 4.274 0.020 2 836 78 89 PRO HD3 H 4.384 0.020 2 837 78 89 PRO C C 175.363 0.200 1 838 78 89 PRO CA C 63.188 0.200 1 839 78 89 PRO CB C 33.411 0.200 1 840 78 89 PRO CG C 27.850 0.200 1 841 78 89 PRO CD C 51.139 0.200 1 842 79 90 ILE H H 8.266 0.020 1 843 79 90 ILE HA H 5.170 0.020 1 844 79 90 ILE HB H 1.695 0.020 1 845 79 90 ILE HG12 H 2.003 0.020 1 846 79 90 ILE HG13 H 2.003 0.020 1 847 79 90 ILE HG2 H 0.835 0.020 1 848 79 90 ILE HD1 H 1.038 0.020 1 849 79 90 ILE C C 175.328 0.200 1 850 79 90 ILE CA C 59.603 0.200 1 851 79 90 ILE CB C 41.839 0.200 1 852 79 90 ILE CG1 C 27.710 0.200 1 853 79 90 ILE CG2 C 17.712 0.200 1 854 79 90 ILE CD1 C 15.324 0.200 1 855 79 90 ILE N N 120.643 0.200 1 856 80 91 ILE H H 9.314 0.020 1 857 80 91 ILE HA H 4.308 0.020 1 858 80 91 ILE HB H 1.646 0.020 1 859 80 91 ILE HG12 H 1.349 0.020 2 860 80 91 ILE HG13 H 0.785 0.020 2 861 80 91 ILE HG2 H 0.483 0.020 1 862 80 91 ILE HD1 H 0.593 0.020 1 863 80 91 ILE C C 172.534 0.200 1 864 80 91 ILE CA C 59.599 0.200 1 865 80 91 ILE CB C 39.754 0.200 1 866 80 91 ILE CG1 C 28.352 0.200 1 867 80 91 ILE CG2 C 17.536 0.200 1 868 80 91 ILE CD1 C 13.963 0.200 1 869 80 91 ILE N N 127.578 0.200 1 870 81 92 PHE H H 8.319 0.020 1 871 81 92 PHE HA H 5.039 0.020 1 872 81 92 PHE HB2 H 2.620 0.020 2 873 81 92 PHE HB3 H 3.151 0.020 2 874 81 92 PHE HD1 H 6.968 0.020 3 875 81 92 PHE HD2 H 6.968 0.020 3 876 81 92 PHE C C 172.553 0.200 1 877 81 92 PHE CA C 56.445 0.200 1 878 81 92 PHE CB C 43.225 0.200 1 879 81 92 PHE N N 129.815 0.200 1 880 82 93 LEU H H 8.152 0.020 1 881 82 93 LEU HA H 4.903 0.020 1 882 82 93 LEU HB2 H 0.996 0.020 2 883 82 93 LEU HB3 H 1.521 0.020 2 884 82 93 LEU HG H 1.364 0.020 1 885 82 93 LEU HD1 H 0.350 0.020 2 886 82 93 LEU HD2 H 0.587 0.020 2 887 82 93 LEU C C 174.109 0.200 1 888 82 93 LEU CA C 52.577 0.200 1 889 82 93 LEU CB C 43.544 0.200 1 890 82 93 LEU CG C 26.499 0.200 1 891 82 93 LEU CD1 C 24.202 0.200 2 892 82 93 LEU CD2 C 25.337 0.200 2 893 82 93 LEU N N 126.469 0.200 1 894 83 94 SER H H 7.756 0.020 1 895 83 94 SER HA H 4.701 0.020 1 896 83 94 SER HB2 H 3.578 0.020 2 897 83 94 SER HB3 H 3.359 0.020 2 898 83 94 SER C C 175.023 0.200 1 899 83 94 SER CA C 56.571 0.200 1 900 83 94 SER CB C 66.157 0.200 1 901 83 94 SER N N 109.577 0.200 1 902 84 95 THR H H 8.494 0.020 1 903 84 95 THR HA H 4.557 0.020 1 904 84 95 THR HB H 4.459 0.020 1 905 84 95 THR HG2 H 1.389 0.020 1 906 84 95 THR C C 174.542 0.200 1 907 84 95 THR CA C 63.098 0.200 1 908 84 95 THR CB C 69.672 0.200 1 909 84 95 THR CG2 C 22.482 0.200 1 910 84 95 THR N N 116.726 0.200 1 911 85 96 ASP H H 8.385 0.020 1 912 85 96 ASP HA H 4.830 0.020 1 913 85 96 ASP HB2 H 2.712 0.020 2 914 85 96 ASP HB3 H 2.877 0.020 2 915 85 96 ASP C C 175.645 0.200 1 916 85 96 ASP CA C 54.060 0.200 1 917 85 96 ASP CB C 42.430 0.200 1 918 85 96 ASP N N 121.661 0.200 1 919 86 97 SER H H 8.525 0.020 1 920 86 97 SER HA H 4.600 0.020 1 921 86 97 SER HB2 H 3.988 0.020 2 922 86 97 SER HB3 H 4.207 0.020 2 923 86 97 SER C C 174.483 0.200 1 924 86 97 SER CA C 58.162 0.200 1 925 86 97 SER CB C 64.241 0.200 1 926 86 97 SER N N 116.363 0.200 1 927 87 98 ALA H H 8.216 0.020 1 928 87 98 ALA HA H 4.258 0.020 1 929 87 98 ALA HB H 1.545 0.020 1 930 87 98 ALA C C 178.219 0.200 1 931 87 98 ALA CA C 53.317 0.200 1 932 87 98 ALA CB C 19.097 0.200 1 933 87 98 ALA N N 125.519 0.200 1 934 88 99 ASP H H 8.558 0.020 1 935 88 99 ASP HA H 4.302 0.020 1 936 88 99 ASP HB2 H 2.669 0.020 1 937 88 99 ASP HB3 H 2.670 0.020 1 938 88 99 ASP C C 178.296 0.200 1 939 88 99 ASP CA C 57.112 0.200 1 940 88 99 ASP CB C 40.596 0.200 1 941 88 99 ASP N N 121.122 0.200 1 942 89 100 THR H H 8.081 0.020 1 943 89 100 THR HA H 4.013 0.020 1 944 89 100 THR HB H 4.180 0.020 1 945 89 100 THR HG2 H 1.246 0.020 1 946 89 100 THR C C 176.342 0.200 1 947 89 100 THR CA C 64.975 0.200 1 948 89 100 THR CB C 68.436 0.200 1 949 89 100 THR CG2 C 22.025 0.200 1 950 89 100 THR N N 112.847 0.200 1 951 90 101 LEU H H 7.483 0.020 1 952 90 101 LEU HA H 4.236 0.020 1 953 90 101 LEU HB2 H 1.868 0.020 2 954 90 101 LEU HB3 H 1.801 0.020 2 955 90 101 LEU HG H 1.802 0.020 1 956 90 101 LEU HD1 H 1.180 0.020 2 957 90 101 LEU HD2 H 1.125 0.020 2 958 90 101 LEU C C 177.749 0.200 1 959 90 101 LEU CA C 57.224 0.200 1 960 90 101 LEU CB C 41.560 0.200 1 961 90 101 LEU CG C 27.517 0.200 1 962 90 101 LEU CD1 C 25.325 0.200 2 963 90 101 LEU CD2 C 24.662 0.200 2 964 90 101 LEU N N 123.682 0.200 1 965 91 102 LYS H H 7.509 0.020 1 966 91 102 LYS HA H 2.978 0.020 1 967 91 102 LYS HB2 H 1.040 0.020 2 968 91 102 LYS HB3 H 1.374 0.020 2 969 91 102 LYS HG2 H 0.475 0.020 1 970 91 102 LYS HG3 H 0.475 0.020 1 971 91 102 LYS HD2 H 1.182 0.020 1 972 91 102 LYS HD3 H 1.182 0.020 1 973 91 102 LYS HE2 H 2.497 0.020 1 974 91 102 LYS HE3 H 2.497 0.020 1 975 91 102 LYS C C 178.892 0.200 1 976 91 102 LYS CA C 59.651 0.200 1 977 91 102 LYS CB C 32.128 0.200 1 978 91 102 LYS CG C 24.314 0.200 1 979 91 102 LYS CD C 29.524 0.200 1 980 91 102 LYS CE C 41.795 0.200 1 981 91 102 LYS N N 119.581 0.200 1 982 92 103 GLN H H 7.755 0.020 1 983 92 103 GLN HA H 3.930 0.020 1 984 92 103 GLN HB2 H 2.067 0.020 1 985 92 103 GLN HB3 H 2.068 0.020 1 986 92 103 GLN HG2 H 2.352 0.020 1 987 92 103 GLN HG3 H 2.352 0.020 1 988 92 103 GLN HE21 H 7.583 0.020 1 989 92 103 GLN HE22 H 6.758 0.020 1 990 92 103 GLN C C 178.384 0.200 1 991 92 103 GLN CA C 58.499 0.200 1 992 92 103 GLN CB C 27.702 0.200 1 993 92 103 GLN CG C 33.094 0.200 1 994 92 103 GLN N N 117.627 0.200 1 995 92 103 GLN NE2 N 112.076 0.200 1 996 93 104 GLN H H 7.978 0.020 1 997 93 104 GLN HA H 3.958 0.020 1 998 93 104 GLN HB2 H 2.193 0.020 2 999 93 104 GLN HB3 H 1.962 0.020 2 1000 93 104 GLN HG2 H 2.291 0.020 2 1001 93 104 GLN HG3 H 2.574 0.020 2 1002 93 104 GLN HE21 H 7.222 0.020 1 1003 93 104 GLN HE22 H 6.680 0.020 1 1004 93 104 GLN C C 179.131 0.200 1 1005 93 104 GLN CA C 59.015 0.200 1 1006 93 104 GLN CB C 28.986 0.200 1 1007 93 104 GLN CG C 34.410 0.200 1 1008 93 104 GLN N N 119.177 0.200 1 1009 93 104 GLN NE2 N 110.432 0.200 1 1010 94 105 ALA H H 8.570 0.020 1 1011 94 105 ALA HA H 3.642 0.020 1 1012 94 105 ALA HB H 1.004 0.020 1 1013 94 105 ALA C C 179.044 0.200 1 1014 94 105 ALA CA C 55.217 0.200 1 1015 94 105 ALA CB C 17.146 0.200 1 1016 94 105 ALA N N 122.475 0.200 1 1017 95 106 ARG H H 7.774 0.020 1 1018 95 106 ARG HA H 4.256 0.020 1 1019 95 106 ARG HB2 H 1.900 0.020 2 1020 95 106 ARG HB3 H 1.897 0.020 2 1021 95 106 ARG HD2 H 3.194 0.020 1 1022 95 106 ARG HD3 H 3.194 0.020 1 1023 95 106 ARG C C 180.585 0.200 1 1024 95 106 ARG CA C 59.065 0.200 1 1025 95 106 ARG CB C 29.779 0.200 1 1026 95 106 ARG N N 119.083 0.200 1 1027 96 107 GLU H H 8.356 0.020 1 1028 96 107 GLU HA H 3.963 0.020 1 1029 96 107 GLU HB2 H 2.052 0.020 2 1030 96 107 GLU HB3 H 2.059 0.020 2 1031 96 107 GLU HG2 H 2.319 0.020 2 1032 96 107 GLU HG3 H 2.468 0.020 2 1033 96 107 GLU C C 177.952 0.200 1 1034 96 107 GLU CA C 58.928 0.200 1 1035 96 107 GLU CB C 28.833 0.200 1 1036 96 107 GLU CG C 36.300 0.200 1 1037 96 107 GLU N N 120.387 0.200 1 1038 97 108 ALA H H 7.780 0.020 1 1039 97 108 ALA HA H 4.170 0.020 1 1040 97 108 ALA HB H 1.393 0.020 1 1041 97 108 ALA C C 176.850 0.200 1 1042 97 108 ALA CA C 53.277 0.200 1 1043 97 108 ALA CB C 18.839 0.200 1 1044 97 108 ALA N N 119.442 0.200 1 1045 98 109 GLY H H 7.394 0.020 1 1046 98 109 GLY HA2 H 3.641 0.020 2 1047 98 109 GLY HA3 H 4.297 0.020 2 1048 98 109 GLY C C 174.190 0.200 1 1049 98 109 GLY CA C 44.641 0.200 1 1050 98 109 GLY N N 101.010 0.200 1 1051 99 110 ALA H H 8.374 0.020 1 1052 99 110 ALA HA H 4.511 0.020 1 1053 99 110 ALA HB H 1.386 0.020 1 1054 99 110 ALA C C 176.370 0.200 1 1055 99 110 ALA CA C 52.529 0.200 1 1056 99 110 ALA CB C 19.204 0.200 1 1057 99 110 ALA N N 123.403 0.200 1 1058 100 111 MET H H 8.892 0.020 1 1059 100 111 MET HA H 4.669 0.020 1 1060 100 111 MET HB2 H 2.139 0.020 2 1061 100 111 MET HB3 H 2.118 0.020 2 1062 100 111 MET HG2 H 2.812 0.020 2 1063 100 111 MET HG3 H 2.682 0.020 2 1064 100 111 MET C C 176.488 0.200 1 1065 100 111 MET CA C 55.694 0.200 1 1066 100 111 MET CB C 34.179 0.200 1 1067 100 111 MET CG C 32.511 0.200 1 1068 100 111 MET N N 122.218 0.200 1 1069 101 112 GLY H H 8.242 0.020 1 1070 101 112 GLY HA2 H 3.348 0.020 2 1071 101 112 GLY HA3 H 4.482 0.020 2 1072 101 112 GLY C C 171.574 0.200 1 1073 101 112 GLY CA C 44.480 0.200 1 1074 101 112 GLY N N 105.546 0.200 1 1075 102 113 TRP H H 8.458 0.020 1 1076 102 113 TRP HA H 5.724 0.020 1 1077 102 113 TRP HB2 H 3.195 0.020 2 1078 102 113 TRP HB3 H 3.235 0.020 2 1079 102 113 TRP HD1 H 7.047 0.020 1 1080 102 113 TRP HE1 H 10.088 0.020 1 1081 102 113 TRP HE3 H 7.449 0.020 1 1082 102 113 TRP HZ2 H 7.431 0.020 1 1083 102 113 TRP HZ3 H 6.905 0.020 1 1084 102 113 TRP HH2 H 7.208 0.020 1 1085 102 113 TRP C C 174.039 0.200 1 1086 102 113 TRP CA C 56.233 0.200 1 1087 102 113 TRP CB C 32.030 0.200 1 1088 102 113 TRP CD1 C 126.735 0.200 1 1089 102 113 TRP CE3 C 120.363 0.200 1 1090 102 113 TRP CZ2 C 114.503 0.200 1 1091 102 113 TRP CZ3 C 122.022 0.200 1 1092 102 113 TRP CH2 C 124.302 0.200 1 1093 102 113 TRP N N 124.736 0.200 1 1094 102 113 TRP NE1 N 129.352 0.200 1 1095 103 114 MET H H 8.265 0.020 1 1096 103 114 MET HA H 4.394 0.020 1 1097 103 114 MET HB2 H 1.452 0.020 2 1098 103 114 MET HB3 H 1.662 0.020 2 1099 103 114 MET HG2 H 2.109 0.020 2 1100 103 114 MET HG3 H 1.933 0.020 2 1101 103 114 MET C C 172.717 0.200 1 1102 103 114 MET CA C 54.826 0.200 1 1103 103 114 MET CB C 37.040 0.200 1 1104 103 114 MET CG C 31.790 0.200 1 1105 103 114 MET N N 123.098 0.200 1 1106 104 115 VAL H H 8.011 0.020 1 1107 104 115 VAL HA H 4.514 0.020 1 1108 104 115 VAL HB H 1.918 0.020 1 1109 104 115 VAL HG1 H 0.972 0.020 2 1110 104 115 VAL HG2 H 0.940 0.020 2 1111 104 115 VAL C C 175.411 0.200 1 1112 104 115 VAL CA C 60.649 0.200 1 1113 104 115 VAL CB C 33.065 0.200 1 1114 104 115 VAL CG1 C 22.379 0.200 2 1115 104 115 VAL CG2 C 21.450 0.200 2 1116 104 115 VAL N N 122.459 0.200 1 1117 105 116 LYS H H 8.057 0.020 1 1118 105 116 LYS HA H 4.418 0.020 1 1119 105 116 LYS HB2 H 1.911 0.020 2 1120 105 116 LYS HB3 H 1.728 0.020 2 1121 105 116 LYS HE2 H 3.230 0.020 1 1122 105 116 LYS HE3 H 3.230 0.020 1 1123 105 116 LYS C C 174.655 0.200 1 1124 105 116 LYS CA C 54.196 0.200 1 1125 105 116 LYS CB C 33.020 0.200 1 1126 105 116 LYS CE C 43.387 0.200 1 1127 105 116 LYS N N 123.508 0.200 1 1128 106 117 PRO HA H 4.464 0.020 1 1129 106 117 PRO HB2 H 1.965 0.020 2 1130 106 117 PRO HB3 H 2.268 0.020 2 1131 106 117 PRO HG2 H 1.924 0.020 1 1132 106 117 PRO HG3 H 1.924 0.020 1 1133 106 117 PRO HD2 H 3.488 0.020 2 1134 106 117 PRO HD3 H 3.656 0.020 2 1135 106 117 PRO C C 174.696 0.200 1 1136 106 117 PRO CA C 62.368 0.200 1 1137 106 117 PRO CB C 34.661 0.200 1 1138 106 117 PRO CG C 24.737 0.200 1 1139 106 117 PRO CD C 50.293 0.200 1 1140 107 118 PHE H H 7.590 0.020 1 1141 107 118 PHE HA H 5.435 0.020 1 1142 107 118 PHE HB2 H 3.260 0.020 2 1143 107 118 PHE HB3 H 3.248 0.020 2 1144 107 118 PHE HD1 H 7.043 0.020 3 1145 107 118 PHE HD2 H 7.043 0.020 3 1146 107 118 PHE C C 174.696 0.200 1 1147 107 118 PHE CA C 54.250 0.200 1 1148 107 118 PHE CB C 42.001 0.200 1 1149 107 118 PHE N N 116.578 0.200 1 1150 108 119 THR H H 8.457 0.020 1 1151 108 119 THR HA H 4.673 0.020 1 1152 108 119 THR HB H 4.618 0.020 1 1153 108 119 THR HG2 H 1.234 0.020 1 1154 108 119 THR C C 175.552 0.200 1 1155 108 119 THR CA C 59.478 0.200 1 1156 108 119 THR CB C 71.485 0.200 1 1157 108 119 THR CG2 C 21.551 0.200 1 1158 108 119 THR N N 110.263 0.200 1 1159 109 120 GLN H H 9.317 0.020 1 1160 109 120 GLN HA H 4.190 0.020 1 1161 109 120 GLN HB2 H 2.266 0.020 2 1162 109 120 GLN HB3 H 2.246 0.020 2 1163 109 120 GLN HG2 H 2.599 0.020 1 1164 109 120 GLN HG3 H 2.599 0.020 1 1165 109 120 GLN HE21 H 7.589 0.020 1 1166 109 120 GLN HE22 H 6.976 0.020 1 1167 109 120 GLN C C 175.198 0.200 1 1168 109 120 GLN CA C 61.823 0.200 1 1169 109 120 GLN CB C 26.213 0.200 1 1170 109 120 GLN CG C 34.596 0.200 1 1171 109 120 GLN N N 119.746 0.200 1 1172 109 120 GLN NE2 N 112.491 0.200 1 1173 110 121 PRO HA H 4.273 0.020 1 1174 110 121 PRO HB2 H 2.374 0.020 2 1175 110 121 PRO HB3 H 1.828 0.020 2 1176 110 121 PRO HG2 H 2.031 0.020 2 1177 110 121 PRO HG3 H 2.142 0.020 2 1178 110 121 PRO HD2 H 3.963 0.020 2 1179 110 121 PRO HD3 H 3.884 0.020 2 1180 110 121 PRO C C 180.191 0.200 1 1181 110 121 PRO CA C 66.001 0.200 1 1182 110 121 PRO CB C 31.166 0.200 1 1183 110 121 PRO CG C 28.267 0.200 1 1184 110 121 PRO CD C 49.952 0.200 1 1185 111 122 GLN H H 7.288 0.020 1 1186 111 122 GLN HA H 4.096 0.020 1 1187 111 122 GLN HB2 H 2.517 0.020 2 1188 111 122 GLN HB3 H 2.028 0.020 2 1189 111 122 GLN HG2 H 2.494 0.020 1 1190 111 122 GLN HG3 H 2.494 0.020 1 1191 111 122 GLN HE21 H 7.496 0.020 1 1192 111 122 GLN HE22 H 7.008 0.020 1 1193 111 122 GLN C C 178.645 0.200 1 1194 111 122 GLN CA C 58.875 0.200 1 1195 111 122 GLN CB C 28.728 0.200 1 1196 111 122 GLN CG C 34.261 0.200 1 1197 111 122 GLN N N 116.821 0.200 1 1198 111 122 GLN NE2 N 110.861 0.200 1 1199 112 123 LEU H H 7.878 0.020 1 1200 112 123 LEU HA H 3.960 0.020 1 1201 112 123 LEU HB2 H 1.404 0.020 2 1202 112 123 LEU HB3 H 2.087 0.020 2 1203 112 123 LEU HG H 1.392 0.020 1 1204 112 123 LEU HD1 H 0.576 0.020 2 1205 112 123 LEU HD2 H 0.967 0.020 2 1206 112 123 LEU C C 177.782 0.200 1 1207 112 123 LEU CA C 57.590 0.200 1 1208 112 123 LEU CB C 40.992 0.200 1 1209 112 123 LEU CG C 27.508 0.200 1 1210 112 123 LEU CD1 C 22.194 0.200 2 1211 112 123 LEU CD2 C 27.769 0.200 2 1212 112 123 LEU N N 120.634 0.200 1 1213 113 124 LEU H H 8.279 0.020 1 1214 113 124 LEU HA H 3.855 0.020 1 1215 113 124 LEU HB2 H 1.704 0.020 2 1216 113 124 LEU HB3 H 1.564 0.020 2 1217 113 124 LEU HG H 1.625 0.020 1 1218 113 124 LEU HD1 H 0.863 0.020 2 1219 113 124 LEU HD2 H 0.927 0.020 2 1220 113 124 LEU C C 178.799 0.200 1 1221 113 124 LEU CA C 57.724 0.200 1 1222 113 124 LEU CB C 41.250 0.200 1 1223 113 124 LEU CG C 26.964 0.200 1 1224 113 124 LEU CD1 C 23.365 0.200 2 1225 113 124 LEU CD2 C 24.626 0.200 2 1226 113 124 LEU N N 117.611 0.200 1 1227 114 125 ALA H H 7.861 0.020 1 1228 114 125 ALA HA H 4.136 0.020 1 1229 114 125 ALA HB H 1.507 0.020 1 1230 114 125 ALA C C 180.836 0.200 1 1231 114 125 ALA CA C 55.095 0.200 1 1232 114 125 ALA CB C 18.087 0.200 1 1233 114 125 ALA N N 119.878 0.200 1 1234 115 126 VAL H H 7.618 0.020 1 1235 115 126 VAL HA H 3.828 0.020 1 1236 115 126 VAL HB H 2.117 0.020 1 1237 115 126 VAL HG1 H 1.057 0.020 2 1238 115 126 VAL HG2 H 0.856 0.020 2 1239 115 126 VAL C C 177.566 0.200 1 1240 115 126 VAL CA C 66.182 0.200 1 1241 115 126 VAL CB C 31.711 0.200 1 1242 115 126 VAL CG1 C 23.346 0.200 2 1243 115 126 VAL CG2 C 21.065 0.200 2 1244 115 126 VAL N N 119.724 0.200 1 1245 116 127 ILE H H 7.983 0.020 1 1246 116 127 ILE HA H 3.669 0.020 1 1247 116 127 ILE HB H 1.777 0.020 1 1248 116 127 ILE HG12 H 1.151 0.020 1 1249 116 127 ILE HG13 H 1.151 0.020 1 1250 116 127 ILE HG2 H 0.653 0.020 1 1251 116 127 ILE HD1 H 0.403 0.020 1 1252 116 127 ILE C C 177.367 0.200 1 1253 116 127 ILE CA C 62.792 0.200 1 1254 116 127 ILE CB C 36.442 0.200 1 1255 116 127 ILE CG1 C 28.097 0.200 1 1256 116 127 ILE CG2 C 17.209 0.200 1 1257 116 127 ILE CD1 C 11.333 0.200 1 1258 116 127 ILE N N 120.237 0.200 1 1259 117 128 LYS H H 8.094 0.020 1 1260 117 128 LYS HA H 4.012 0.020 1 1261 117 128 LYS HB2 H 1.906 0.020 2 1262 117 128 LYS HB3 H 1.869 0.020 2 1263 117 128 LYS HE2 H 2.984 0.020 1 1264 117 128 LYS HE3 H 2.984 0.020 1 1265 117 128 LYS C C 178.878 0.200 1 1266 117 128 LYS CA C 58.955 0.200 1 1267 117 128 LYS CB C 32.057 0.200 1 1268 117 128 LYS N N 120.083 0.200 1 1269 118 129 LYS H H 7.587 0.020 1 1270 118 129 LYS HA H 4.107 0.020 1 1271 118 129 LYS HB2 H 1.959 0.020 2 1272 118 129 LYS HB3 H 2.037 0.020 2 1273 118 129 LYS HG2 H 1.490 0.020 1 1274 118 129 LYS HG3 H 1.490 0.020 1 1275 118 129 LYS C C 178.601 0.200 1 1276 118 129 LYS CA C 58.927 0.200 1 1277 118 129 LYS CB C 32.717 0.200 1 1278 118 129 LYS CG C 24.862 0.200 1 1279 118 129 LYS N N 118.102 0.200 1 1280 119 130 VAL H H 7.922 0.020 1 1281 119 130 VAL HA H 4.174 0.020 1 1282 119 130 VAL HB H 2.169 0.020 1 1283 119 130 VAL HG1 H 0.953 0.020 2 1284 119 130 VAL HG2 H 0.896 0.020 2 1285 119 130 VAL C C 176.402 0.200 1 1286 119 130 VAL CA C 63.685 0.200 1 1287 119 130 VAL CB C 32.012 0.200 1 1288 119 130 VAL CG1 C 20.343 0.200 2 1289 119 130 VAL CG2 C 21.437 0.200 2 1290 119 130 VAL N N 112.058 0.200 1 1291 120 131 LEU H H 8.129 0.020 1 1292 120 131 LEU HA H 4.544 0.020 1 1293 120 131 LEU HB2 H 1.755 0.020 2 1294 120 131 LEU HB3 H 1.695 0.020 2 1295 120 131 LEU HG H 1.595 0.020 1 1296 120 131 LEU HD1 H 0.682 0.020 2 1297 120 131 LEU HD2 H 0.764 0.020 2 1298 120 131 LEU C C 177.008 0.200 1 1299 120 131 LEU CA C 55.439 0.200 1 1300 120 131 LEU CB C 42.947 0.200 1 1301 120 131 LEU CG C 26.914 0.200 1 1302 120 131 LEU CD1 C 25.494 0.200 2 1303 120 131 LEU CD2 C 23.995 0.200 2 1304 120 131 LEU N N 119.537 0.200 1 1305 121 132 GLY H H 7.698 0.020 1 1306 121 132 GLY HA2 H 3.776 0.020 2 1307 121 132 GLY HA3 H 3.984 0.020 2 1308 121 132 GLY C C 179.130 0.200 1 1309 121 132 GLY CA C 46.415 0.200 1 1310 121 132 GLY N N 114.564 0.200 1 stop_ save_