data_26769 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter sphaeroides ; _BMRB_accession_number 26769 _BMRB_flat_file_name bmr26769.str _Entry_type original _Submission_date 2016-03-24 _Accession_date 2016-03-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Varela-Alvarez Lorena . . 2 Bell Christian . . 3 Armitage Judith . . 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" 644 "13C chemical shifts" 494 "15N chemical shifts" 112 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 26776 'response regulator CheY3 at pH 7.25 with BeF3-' 26777 'response regulator CheY3 at pH 4.5 with BeF3-' 26778 'response regulator CheY3 at pH 4.5 in the absence of 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 . . 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CheY3_noBeF3_pH7.4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CheY3_noBeF3_pH7.4 $CheY3_noBeF3_pH7-4 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_pH7-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CheY3_noBeF3_pH7.4 _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_pH7-4 '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_pH7-4 '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_pH7-4 0.7 mM '[U-99% 15N]' Mg2+ 15 mM 'natural abundance' 'Sodium Acetate' 7 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_pH7-4 0.7 mM '[U-99% 13C; U-99% 15N]' Mg2+ 15 mM 'natural abundance' 'Sodium Acetate' 7 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_ ############################# # 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_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2_15N_13C save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2_15N_13C save_ save_3D_HNCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2_15N_13C save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 7.4 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCA' '3D CBCANH' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNCACO' '3D HNCO' 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_pH7.4 _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 13 SER HA H 4.507 0.020 1 2 2 13 SER HB2 H 3.904 0.020 2 3 2 13 SER HB3 H 3.826 0.020 2 4 2 13 SER C C 174.244 0.200 1 5 2 13 SER CA C 58.509 0.200 1 6 2 13 SER CB C 64.165 0.200 1 7 3 14 ARG H H 8.547 0.020 1 8 3 14 ARG HA H 4.657 0.020 1 9 3 14 ARG HB2 H 1.904 0.020 2 10 3 14 ARG HB3 H 1.752 0.020 2 11 3 14 ARG HG2 H 1.740 0.020 2 12 3 14 ARG HG3 H 1.737 0.020 2 13 3 14 ARG HD2 H 3.079 0.020 2 14 3 14 ARG HD3 H 3.205 0.020 2 15 3 14 ARG C C 175.453 0.200 1 16 3 14 ARG CA C 55.684 0.200 1 17 3 14 ARG CB C 32.395 0.200 1 18 3 14 ARG CG C 27.499 0.200 1 19 3 14 ARG CD C 43.611 0.200 1 20 3 14 ARG N N 123.458 0.200 1 21 4 15 THR H H 9.942 0.020 1 22 4 15 THR HA H 5.236 0.020 1 23 4 15 THR HB H 4.104 0.020 1 24 4 15 THR HG2 H 1.072 0.020 1 25 4 15 THR C C 174.200 0.200 1 26 4 15 THR CA C 62.283 0.200 1 27 4 15 THR CB C 70.466 0.200 1 28 4 15 THR CG2 C 21.891 0.200 1 29 4 15 THR N N 119.484 0.200 1 30 5 16 VAL H H 9.418 0.020 1 31 5 16 VAL HA H 4.648 0.020 1 32 5 16 VAL HB H 1.728 0.020 1 33 5 16 VAL HG1 H 0.526 0.020 1 34 5 16 VAL HG2 H 0.526 0.020 1 35 5 16 VAL C C 173.440 0.200 1 36 5 16 VAL CA C 59.999 0.200 1 37 5 16 VAL CB C 34.768 0.200 1 38 5 16 VAL CG1 C 21.428 0.200 2 39 5 16 VAL CG2 C 20.870 0.200 2 40 5 16 VAL N N 128.734 0.200 1 41 6 17 LEU H H 8.210 0.020 1 42 6 17 LEU HA H 5.074 0.020 1 43 6 17 LEU HB2 H 1.179 0.020 2 44 6 17 LEU HB3 H 1.826 0.020 2 45 6 17 LEU HG H 1.343 0.020 1 46 6 17 LEU HD1 H 0.762 0.020 2 47 6 17 LEU HD2 H 0.596 0.020 2 48 6 17 LEU C C 172.902 0.200 1 49 6 17 LEU CA C 52.924 0.200 1 50 6 17 LEU CB C 44.523 0.200 1 51 6 17 LEU CG C 27.017 0.200 1 52 6 17 LEU CD1 C 27.496 0.200 2 53 6 17 LEU CD2 C 23.430 0.200 2 54 6 17 LEU N N 128.569 0.200 1 55 7 18 ALA H H 9.187 0.020 1 56 7 18 ALA HA H 5.030 0.020 1 57 7 18 ALA HB H 1.048 0.020 1 58 7 18 ALA C C 174.222 0.200 1 59 7 18 ALA CA C 50.362 0.200 1 60 7 18 ALA CB C 20.151 0.200 1 61 7 18 ALA N N 131.486 0.200 1 62 8 19 VAL H H 8.776 0.020 1 63 8 19 VAL HA H 4.526 0.020 1 64 8 19 VAL HB H 2.286 0.020 1 65 8 19 VAL HG1 H 0.582 0.020 2 66 8 19 VAL HG2 H 0.385 0.020 2 67 8 19 VAL C C 174.099 0.200 1 68 8 19 VAL CA C 60.361 0.200 1 69 8 19 VAL CB C 32.181 0.200 1 70 8 19 VAL CG1 C 21.065 0.200 2 71 8 19 VAL CG2 C 22.415 0.200 2 72 8 19 VAL N N 123.519 0.200 1 73 9 20 ASP H H 7.650 0.020 1 74 9 20 ASP HA H 4.543 0.020 1 75 9 20 ASP HB2 H 2.547 0.020 2 76 9 20 ASP HB3 H 2.277 0.020 2 77 9 20 ASP C C 174.799 0.200 1 78 9 20 ASP CA C 55.365 0.200 1 79 9 20 ASP CB C 43.315 0.200 1 80 9 20 ASP N N 122.872 0.200 1 81 10 21 ASP H H 8.994 0.020 1 82 10 21 ASP HA H 4.887 0.020 1 83 10 21 ASP HB2 H 2.954 0.020 2 84 10 21 ASP HB3 H 2.840 0.020 2 85 10 21 ASP C C 176.296 0.200 1 86 10 21 ASP CA C 55.196 0.200 1 87 10 21 ASP CB C 40.187 0.200 1 88 10 21 ASP N N 124.378 0.200 1 89 11 22 SER H H 9.934 0.020 1 90 11 22 SER HA H 5.021 0.020 1 91 11 22 SER HB2 H 3.928 0.020 1 92 11 22 SER HB3 H 3.928 0.020 1 93 11 22 SER C C 173.971 0.200 1 94 11 22 SER CA C 54.302 0.200 1 95 11 22 SER CB C 62.694 0.200 1 96 11 22 SER N N 120.745 0.200 1 97 12 23 PRO HA H 4.117 0.020 1 98 12 23 PRO HB2 H 2.054 0.020 2 99 12 23 PRO HB3 H 2.411 0.020 2 100 12 23 PRO HG2 H 2.205 0.020 2 101 12 23 PRO HG3 H 2.143 0.020 2 102 12 23 PRO HD2 H 4.371 0.020 2 103 12 23 PRO HD3 H 4.141 0.020 2 104 12 23 PRO CA C 64.947 0.200 1 105 12 23 PRO CB C 31.946 0.200 1 106 12 23 PRO CG C 27.350 0.200 1 107 12 23 PRO CD C 51.396 0.200 1 108 13 24 SER HA H 4.213 0.020 1 109 13 24 SER HB2 H 3.832 0.020 1 110 13 24 SER HB3 H 3.832 0.020 1 111 13 24 SER C C 177.480 0.200 1 112 13 24 SER CA C 61.027 0.200 1 113 13 24 SER CB C 62.025 0.200 1 114 14 25 VAL H H 7.463 0.020 1 115 14 25 VAL HA H 3.707 0.020 1 116 14 25 VAL HB H 1.859 0.020 1 117 14 25 VAL HG1 H 0.883 0.020 2 118 14 25 VAL HG2 H 0.918 0.020 2 119 14 25 VAL C C 177.922 0.200 1 120 14 25 VAL CA C 65.908 0.200 1 121 14 25 VAL CB C 31.831 0.200 1 122 14 25 VAL CG1 C 21.820 0.200 2 123 14 25 VAL CG2 C 22.346 0.200 2 124 14 25 VAL N N 124.391 0.200 1 125 15 26 ARG H H 8.139 0.020 1 126 15 26 ARG HA H 3.588 0.020 1 127 15 26 ARG HB2 H 1.869 0.020 2 128 15 26 ARG HB3 H 1.782 0.020 2 129 15 26 ARG HG2 H 1.307 0.020 2 130 15 26 ARG HG3 H 1.721 0.020 2 131 15 26 ARG HD2 H 3.140 0.020 1 132 15 26 ARG HD3 H 3.140 0.020 1 133 15 26 ARG C C 177.913 0.200 1 134 15 26 ARG CA C 61.457 0.200 1 135 15 26 ARG CB C 30.853 0.200 1 136 15 26 ARG CG C 29.253 0.200 1 137 15 26 ARG CD C 43.564 0.200 1 138 15 26 ARG N N 118.559 0.200 1 139 16 27 SER H H 8.066 0.020 1 140 16 27 SER HA H 4.247 0.020 1 141 16 27 SER HB2 H 3.968 0.020 2 142 16 27 SER HB3 H 3.981 0.020 2 143 16 27 SER C C 176.524 0.200 1 144 16 27 SER CA C 61.461 0.200 1 145 16 27 SER CB C 62.825 0.200 1 146 16 27 SER N N 110.638 0.200 1 147 17 28 MET H H 7.498 0.020 1 148 17 28 MET HA H 4.235 0.020 1 149 17 28 MET HB2 H 2.465 0.020 2 150 17 28 MET HB3 H 2.774 0.020 2 151 17 28 MET HG2 H 2.164 0.020 2 152 17 28 MET HG3 H 2.370 0.020 2 153 17 28 MET C C 179.665 0.200 1 154 17 28 MET CA C 59.492 0.200 1 155 17 28 MET CB C 32.238 0.200 1 156 17 28 MET CG C 32.213 0.200 1 157 17 28 MET N N 122.473 0.200 1 158 18 29 VAL H H 8.726 0.020 1 159 18 29 VAL HA H 3.443 0.020 1 160 18 29 VAL HB H 2.173 0.020 1 161 18 29 VAL HG1 H 0.779 0.020 2 162 18 29 VAL HG2 H 1.134 0.020 2 163 18 29 VAL C C 177.025 0.200 1 164 18 29 VAL CA C 66.467 0.200 1 165 18 29 VAL CB C 31.706 0.200 1 166 18 29 VAL CG1 C 22.175 0.200 2 167 18 29 VAL CG2 C 23.265 0.200 2 168 18 29 VAL N N 123.296 0.200 1 169 19 30 ALA H H 8.806 0.020 1 170 19 30 ALA HA H 3.953 0.020 1 171 19 30 ALA HB H 1.404 0.020 1 172 19 30 ALA C C 179.285 0.200 1 173 19 30 ALA CA C 55.783 0.200 1 174 19 30 ALA CB C 18.292 0.200 1 175 19 30 ALA N N 120.828 0.200 1 176 20 31 MET H H 8.616 0.020 1 177 20 31 MET HA H 4.155 0.020 1 178 20 31 MET HB2 H 2.261 0.020 2 179 20 31 MET HB3 H 2.195 0.020 2 180 20 31 MET HG2 H 2.738 0.020 2 181 20 31 MET HG3 H 2.645 0.020 2 182 20 31 MET C C 178.819 0.200 1 183 20 31 MET CA C 59.091 0.200 1 184 20 31 MET CB C 32.251 0.200 1 185 20 31 MET CG C 32.251 0.200 1 186 20 31 MET N N 116.171 0.200 1 187 21 32 THR H H 7.971 0.020 1 188 21 32 THR HA H 3.922 0.020 1 189 21 32 THR HB H 4.266 0.020 1 190 21 32 THR HG2 H 1.262 0.020 1 191 21 32 THR C C 176.783 0.200 1 192 21 32 THR CA C 67.056 0.200 1 193 21 32 THR CB C 68.675 0.200 1 194 21 32 THR CG2 C 21.773 0.200 1 195 21 32 THR N N 116.201 0.200 1 196 22 33 LEU H H 8.209 0.020 1 197 22 33 LEU HA H 4.141 0.020 1 198 22 33 LEU HB2 H 1.975 0.020 2 199 22 33 LEU HB3 H 1.148 0.020 2 200 22 33 LEU HG H 1.835 0.020 1 201 22 33 LEU HD1 H 0.576 0.020 2 202 22 33 LEU HD2 H 0.463 0.020 2 203 22 33 LEU C C 179.238 0.200 1 204 22 33 LEU CA C 57.708 0.200 1 205 22 33 LEU CB C 41.041 0.200 1 206 22 33 LEU CG C 26.969 0.200 1 207 22 33 LEU CD1 C 26.402 0.200 2 208 22 33 LEU CD2 C 22.697 0.200 2 209 22 33 LEU N N 119.194 0.200 1 210 23 34 ARG H H 8.774 0.020 1 211 23 34 ARG HA H 4.798 0.020 1 212 23 34 ARG HB2 H 1.964 0.020 2 213 23 34 ARG HB3 H 1.969 0.020 2 214 23 34 ARG HG3 H 1.777 0.020 1 215 23 34 ARG HD2 H 3.252 0.020 2 216 23 34 ARG HD3 H 3.187 0.020 2 217 23 34 ARG C C 181.834 0.200 1 218 23 34 ARG CA C 59.887 0.200 1 219 23 34 ARG CB C 29.853 0.200 1 220 23 34 ARG CD C 43.525 0.200 1 221 23 34 ARG N N 121.303 0.200 1 222 24 35 GLU H H 8.040 0.020 1 223 24 35 GLU HA H 4.117 0.020 1 224 24 35 GLU HB2 H 2.207 0.020 2 225 24 35 GLU HB3 H 2.211 0.020 2 226 24 35 GLU C C 177.327 0.200 1 227 24 35 GLU CA C 59.143 0.200 1 228 24 35 GLU CB C 29.270 0.200 1 229 24 35 GLU N N 120.689 0.200 1 230 25 36 ALA H H 7.300 0.020 1 231 25 36 ALA HA H 4.502 0.020 1 232 25 36 ALA HB H 1.677 0.020 1 233 25 36 ALA C C 176.616 0.200 1 234 25 36 ALA CA C 51.829 0.200 1 235 25 36 ALA CB C 19.269 0.200 1 236 25 36 ALA N N 119.161 0.200 1 237 26 37 GLY H H 7.703 0.020 1 238 26 37 GLY HA2 H 3.634 0.020 2 239 26 37 GLY HA3 H 4.108 0.020 2 240 26 37 GLY C C 174.432 0.200 1 241 26 37 GLY CA C 45.444 0.200 1 242 26 37 GLY N N 105.477 0.200 1 243 27 38 TYR H H 8.055 0.020 1 244 27 38 TYR HA H 4.618 0.020 1 245 27 38 TYR HB2 H 2.916 0.020 2 246 27 38 TYR HB3 H 2.362 0.020 2 247 27 38 TYR HD1 H 7.068 0.020 3 248 27 38 TYR HD2 H 7.068 0.020 3 249 27 38 TYR HE1 H 6.495 0.020 3 250 27 38 TYR HE2 H 6.495 0.020 3 251 27 38 TYR C C 175.964 0.200 1 252 27 38 TYR CA C 58.282 0.200 1 253 27 38 TYR CB C 38.722 0.200 1 254 27 38 TYR CD1 C 133.066 0.200 3 255 27 38 TYR CD2 C 133.066 0.200 3 256 27 38 TYR CE1 C 117.336 0.200 3 257 27 38 TYR CE2 C 117.336 0.200 3 258 27 38 TYR N N 119.790 0.200 1 259 28 39 ARG H H 8.749 0.020 1 260 28 39 ARG HA H 4.569 0.020 1 261 28 39 ARG HB2 H 1.882 0.020 2 262 28 39 ARG HB3 H 1.764 0.020 2 263 28 39 ARG HG2 H 1.714 0.020 2 264 28 39 ARG HG3 H 1.394 0.020 2 265 28 39 ARG HD2 H 3.126 0.020 1 266 28 39 ARG HD3 H 3.126 0.020 1 267 28 39 ARG C C 175.463 0.200 1 268 28 39 ARG CA C 55.733 0.200 1 269 28 39 ARG CB C 30.837 0.200 1 270 28 39 ARG CG C 28.442 0.200 1 271 28 39 ARG CD C 43.269 0.200 1 272 28 39 ARG N N 122.294 0.200 1 273 29 40 VAL H H 8.730 0.020 1 274 29 40 VAL HA H 5.353 0.020 1 275 29 40 VAL HB H 1.832 0.020 1 276 29 40 VAL HG1 H 0.965 0.020 2 277 29 40 VAL HG2 H 0.818 0.020 2 278 29 40 VAL C C 175.884 0.200 1 279 29 40 VAL CA C 60.627 0.200 1 280 29 40 VAL CB C 34.959 0.200 1 281 29 40 VAL CG1 C 23.738 0.200 2 282 29 40 VAL CG2 C 21.199 0.200 2 283 29 40 VAL N N 124.289 0.200 1 284 30 41 ILE H H 8.707 0.020 1 285 30 41 ILE HA H 4.458 0.020 1 286 30 41 ILE HB H 1.564 0.020 1 287 30 41 ILE HG12 H 1.327 0.020 2 288 30 41 ILE HG13 H 0.911 0.020 2 289 30 41 ILE HG2 H 0.852 0.020 1 290 30 41 ILE HD1 H 0.683 0.020 1 291 30 41 ILE C C 174.188 0.200 1 292 30 41 ILE CA C 59.735 0.200 1 293 30 41 ILE CB C 40.738 0.200 1 294 30 41 ILE CG1 C 26.355 0.200 1 295 30 41 ILE CG2 C 17.928 0.200 1 296 30 41 ILE CD1 C 13.841 0.200 1 297 30 41 ILE N N 126.567 0.200 1 298 31 42 GLU H H 8.735 0.020 1 299 31 42 GLU HA H 5.264 0.020 1 300 31 42 GLU HB2 H 1.858 0.020 2 301 31 42 GLU HB3 H 1.862 0.020 2 302 31 42 GLU HG2 H 1.946 0.020 2 303 31 42 GLU HG3 H 2.038 0.020 2 304 31 42 GLU C C 175.095 0.200 1 305 31 42 GLU CA C 55.647 0.200 1 306 31 42 GLU CB C 34.556 0.200 1 307 31 42 GLU CG C 38.057 0.200 1 308 31 42 GLU N N 123.913 0.200 1 309 32 43 ALA H H 8.613 0.020 1 310 32 43 ALA HA H 4.750 0.020 1 311 32 43 ALA HB H 1.246 0.020 1 312 32 43 ALA C C 176.170 0.200 1 313 32 43 ALA CA C 50.663 0.200 1 314 32 43 ALA CB C 23.211 0.200 1 315 32 43 ALA N N 120.481 0.200 1 316 33 44 THR H H 8.669 0.020 1 317 33 44 THR HA H 4.436 0.020 1 318 33 44 THR HB H 4.360 0.020 1 319 33 44 THR HG2 H 1.158 0.020 1 320 33 44 THR C C 173.295 0.200 1 321 33 44 THR CA C 62.698 0.200 1 322 33 44 THR CB C 70.156 0.200 1 323 33 44 THR CG2 C 21.193 0.200 1 324 33 44 THR N N 109.167 0.200 1 325 34 45 ASP H H 7.302 0.020 1 326 34 45 ASP HA H 5.210 0.020 1 327 34 45 ASP HB2 H 3.728 0.020 2 328 34 45 ASP HB3 H 2.968 0.020 2 329 34 45 ASP C C 176.707 0.200 1 330 34 45 ASP CA C 53.838 0.200 1 331 34 45 ASP CB C 41.487 0.200 1 332 34 45 ASP N N 113.240 0.200 1 333 35 46 GLY H H 7.384 0.020 1 334 35 46 GLY HA2 H 3.777 0.020 2 335 35 46 GLY HA3 H 3.292 0.020 2 336 35 46 GLY C C 174.376 0.200 1 337 35 46 GLY CA C 47.557 0.200 1 338 35 46 GLY N N 103.015 0.200 1 339 36 47 ARG H H 8.403 0.020 1 340 36 47 ARG HA H 4.060 0.020 1 341 36 47 ARG HB2 H 2.080 0.020 2 342 36 47 ARG HB3 H 1.779 0.020 2 343 36 47 ARG HD2 H 3.197 0.020 2 344 36 47 ARG HD3 H 3.186 0.020 2 345 36 47 ARG C C 178.630 0.200 1 346 36 47 ARG CA C 58.738 0.200 1 347 36 47 ARG CB C 29.453 0.200 1 348 36 47 ARG CD C 43.129 0.200 1 349 36 47 ARG N N 124.184 0.200 1 350 37 48 GLU H H 8.792 0.020 1 351 37 48 GLU HA H 4.066 0.020 1 352 37 48 GLU HB2 H 1.985 0.020 2 353 37 48 GLU HB3 H 1.996 0.020 2 354 37 48 GLU HG2 H 2.468 0.020 2 355 37 48 GLU HG3 H 2.190 0.020 2 356 37 48 GLU C C 179.252 0.200 1 357 37 48 GLU CA C 58.748 0.200 1 358 37 48 GLU CB C 30.591 0.200 1 359 37 48 GLU CG C 36.590 0.200 1 360 37 48 GLU N N 122.467 0.200 1 361 38 49 GLY H H 8.516 0.020 1 362 38 49 GLY HA2 H 2.749 0.020 2 363 38 49 GLY HA3 H 3.106 0.020 2 364 38 49 GLY C C 173.227 0.200 1 365 38 49 GLY CA C 47.648 0.200 1 366 38 49 GLY N N 105.259 0.200 1 367 39 50 LEU H H 7.649 0.020 1 368 39 50 LEU HA H 3.975 0.020 1 369 39 50 LEU HB2 H 2.041 0.020 2 370 39 50 LEU HB3 H 1.661 0.020 2 371 39 50 LEU HG H 1.749 0.020 1 372 39 50 LEU HD1 H 1.063 0.020 2 373 39 50 LEU HD2 H 0.983 0.020 2 374 39 50 LEU C C 177.025 0.200 1 375 39 50 LEU CA C 58.485 0.200 1 376 39 50 LEU CB C 42.218 0.200 1 377 39 50 LEU CG C 26.567 0.200 1 378 39 50 LEU CD1 C 23.167 0.200 2 379 39 50 LEU CD2 C 25.886 0.200 2 380 39 50 LEU N N 122.904 0.200 1 381 40 51 GLU H H 7.496 0.020 1 382 40 51 GLU HA H 3.910 0.020 1 383 40 51 GLU HB2 H 2.119 0.020 1 384 40 51 GLU HB3 H 2.119 0.020 1 385 40 51 GLU HG2 H 2.183 0.020 2 386 40 51 GLU HG3 H 2.400 0.020 2 387 40 51 GLU C C 180.941 0.200 1 388 40 51 GLU CA C 59.425 0.200 1 389 40 51 GLU CB C 29.428 0.200 1 390 40 51 GLU CG C 36.185 0.200 1 391 40 51 GLU N N 116.050 0.200 1 392 41 52 LYS H H 8.212 0.020 1 393 41 52 LYS HA H 4.055 0.020 1 394 41 52 LYS HB2 H 1.861 0.020 2 395 41 52 LYS HB3 H 1.503 0.020 2 396 41 52 LYS C C 177.902 0.200 1 397 41 52 LYS CA C 59.404 0.200 1 398 41 52 LYS CB C 33.032 0.200 1 399 41 52 LYS N N 118.445 0.200 1 400 42 53 ALA H H 8.573 0.020 1 401 42 53 ALA HA H 3.869 0.020 1 402 42 53 ALA HB H 1.027 0.020 1 403 42 53 ALA C C 177.634 0.200 1 404 42 53 ALA CA C 54.455 0.200 1 405 42 53 ALA CB C 18.138 0.200 1 406 42 53 ALA N N 120.260 0.200 1 407 43 54 LEU H H 7.389 0.020 1 408 43 54 LEU HA H 4.421 0.020 1 409 43 54 LEU HB2 H 1.491 0.020 2 410 43 54 LEU HB3 H 1.746 0.020 2 411 43 54 LEU HG H 1.846 0.020 1 412 43 54 LEU HD1 H 0.593 0.020 2 413 43 54 LEU HD2 H 0.501 0.020 2 414 43 54 LEU C C 178.196 0.200 1 415 43 54 LEU CA C 54.962 0.200 1 416 43 54 LEU CB C 42.108 0.200 1 417 43 54 LEU CG C 26.413 0.200 1 418 43 54 LEU CD1 C 21.977 0.200 2 419 43 54 LEU CD2 C 24.485 0.200 2 420 43 54 LEU N N 111.635 0.200 1 421 44 55 SER H H 7.712 0.020 1 422 44 55 SER HA H 4.606 0.020 1 423 44 55 SER HB2 H 3.928 0.020 2 424 44 55 SER HB3 H 4.031 0.020 2 425 44 55 SER C C 173.692 0.200 1 426 44 55 SER CA C 59.530 0.200 1 427 44 55 SER CB C 65.307 0.200 1 428 44 55 SER N N 113.263 0.200 1 429 45 56 GLU H H 8.029 0.020 1 430 45 56 GLU HA H 4.894 0.020 1 431 45 56 GLU HB2 H 1.930 0.020 2 432 45 56 GLU HB3 H 1.886 0.020 2 433 45 56 GLU HG2 H 2.052 0.020 2 434 45 56 GLU HG3 H 2.271 0.020 2 435 45 56 GLU C C 173.614 0.200 1 436 45 56 GLU CA C 53.730 0.200 1 437 45 56 GLU CB C 30.770 0.200 1 438 45 56 GLU CG C 35.484 0.200 1 439 45 56 GLU N N 122.259 0.200 1 440 46 57 PRO HA H 4.566 0.020 1 441 46 57 PRO HB2 H 2.007 0.020 2 442 46 57 PRO HB3 H 2.101 0.020 2 443 46 57 PRO HG2 H 2.065 0.020 2 444 46 57 PRO HG3 H 1.988 0.020 2 445 46 57 PRO HD2 H 3.740 0.020 1 446 46 57 PRO HD3 H 3.740 0.020 1 447 46 57 PRO C C 176.116 0.200 1 448 46 57 PRO CA C 63.045 0.200 1 449 46 57 PRO CB C 30.456 0.200 1 450 46 57 PRO CG C 27.820 0.200 1 451 46 57 PRO CD C 50.320 0.200 1 452 47 58 VAL H H 7.978 0.020 1 453 47 58 VAL HA H 4.139 0.020 1 454 47 58 VAL HB H 2.045 0.020 1 455 47 58 VAL HG1 H 0.856 0.020 2 456 47 58 VAL HG2 H 0.851 0.020 2 457 47 58 VAL C C 174.271 0.200 1 458 47 58 VAL CA C 60.861 0.200 1 459 47 58 VAL CB C 34.726 0.200 1 460 47 58 VAL CG1 C 22.964 0.200 2 461 47 58 VAL CG2 C 20.214 0.200 2 462 47 58 VAL N N 118.738 0.200 1 463 48 59 ASP H H 9.180 0.020 1 464 48 59 ASP HA H 4.983 0.020 1 465 48 59 ASP HB2 H 2.801 0.020 2 466 48 59 ASP HB3 H 2.681 0.020 2 467 48 59 ASP C C 175.352 0.200 1 468 48 59 ASP CA C 55.949 0.200 1 469 48 59 ASP CB C 43.651 0.200 1 470 48 59 ASP N N 120.961 0.200 1 471 49 60 ALA H H 7.757 0.020 1 472 49 60 ALA HA H 4.821 0.020 1 473 49 60 ALA HB H 1.268 0.020 1 474 49 60 ALA C C 174.481 0.200 1 475 49 60 ALA CA C 51.343 0.200 1 476 49 60 ALA CB C 22.868 0.200 1 477 49 60 ALA N N 116.212 0.200 1 478 50 61 ILE H H 8.409 0.020 1 479 50 61 ILE HA H 4.932 0.020 1 480 50 61 ILE HB H 1.587 0.020 1 481 50 61 ILE HG12 H 1.308 0.020 2 482 50 61 ILE HG13 H 0.915 0.020 2 483 50 61 ILE HG2 H 0.689 0.020 1 484 50 61 ILE HD1 H 0.381 0.020 1 485 50 61 ILE C C 173.580 0.200 1 486 50 61 ILE CA C 60.135 0.200 1 487 50 61 ILE CB C 42.576 0.200 1 488 50 61 ILE CG1 C 29.034 0.200 1 489 50 61 ILE CG2 C 18.194 0.200 1 490 50 61 ILE CD1 C 14.984 0.200 1 491 50 61 ILE N N 119.361 0.200 1 492 51 62 ILE H H 9.262 0.020 1 493 51 62 ILE HA H 4.941 0.020 1 494 51 62 ILE HB H 1.489 0.020 1 495 51 62 ILE HG12 H 1.364 0.020 1 496 51 62 ILE HG2 H 0.670 0.020 1 497 51 62 ILE HD1 H 0.574 0.020 1 498 51 62 ILE C C 174.063 0.200 1 499 51 62 ILE CA C 59.762 0.200 1 500 51 62 ILE CB C 40.734 0.200 1 501 51 62 ILE CG2 C 17.193 0.200 1 502 51 62 ILE CD1 C 15.311 0.200 1 503 51 62 ILE N N 126.984 0.200 1 504 52 63 THR H H 8.955 0.020 1 505 52 63 THR HA H 5.647 0.020 1 506 52 63 THR HB H 3.526 0.020 1 507 52 63 THR HG2 H 1.098 0.020 1 508 52 63 THR C C 170.236 0.200 1 509 52 63 THR CA C 58.634 0.200 1 510 52 63 THR CB C 71.201 0.200 1 511 52 63 THR CG2 C 19.911 0.200 1 512 52 63 THR N N 119.901 0.200 1 513 53 64 ASP H H 8.019 0.020 1 514 53 64 ASP HA H 4.803 0.020 1 515 53 64 ASP HB2 H 2.950 0.020 2 516 53 64 ASP HB3 H 3.275 0.020 2 517 53 64 ASP C C 174.930 0.200 1 518 53 64 ASP CA C 53.425 0.200 1 519 53 64 ASP CB C 45.421 0.200 1 520 53 64 ASP N N 127.062 0.200 1 521 54 65 GLN H H 7.332 0.020 1 522 54 65 GLN HA H 4.334 0.020 1 523 54 65 GLN HB2 H 2.274 0.020 2 524 54 65 GLN HB3 H 2.274 0.020 2 525 54 65 GLN HG2 H 2.547 0.020 2 526 54 65 GLN HG3 H 2.731 0.020 2 527 54 65 GLN HE21 H 7.006 0.020 1 528 54 65 GLN HE22 H 7.675 0.020 1 529 54 65 GLN C C 177.371 0.200 1 530 54 65 GLN CA C 58.251 0.200 1 531 54 65 GLN CB C 29.508 0.200 1 532 54 65 GLN CG C 31.993 0.200 1 533 54 65 GLN N N 120.189 0.200 1 534 54 65 GLN NE2 N 110.592 0.200 1 535 55 66 ASN HA H 5.272 0.020 1 536 55 66 ASN HB2 H 3.001 0.020 2 537 55 66 ASN HB3 H 2.909 0.020 2 538 55 66 ASN CA C 53.773 0.200 1 539 55 66 ASN CB C 38.460 0.200 1 540 56 67 MET H H 7.655 0.020 1 541 56 67 MET C C 171.211 0.200 1 542 56 67 MET N N 126.473 0.200 1 543 57 68 PRO HA H 4.428 0.020 1 544 57 68 PRO HB2 H 2.355 0.020 2 545 57 68 PRO HB3 H 1.935 0.020 2 546 57 68 PRO HG2 H 2.145 0.020 1 547 57 68 PRO HG3 H 2.145 0.020 1 548 57 68 PRO HD2 H 3.598 0.020 1 549 57 68 PRO HD3 H 3.598 0.020 1 550 57 68 PRO C C 176.697 0.200 1 551 57 68 PRO CA C 62.543 0.200 1 552 57 68 PRO CB C 32.913 0.200 1 553 57 68 PRO CG C 27.053 0.200 1 554 57 68 PRO CD C 50.458 0.200 1 555 58 69 ASN H H 8.715 0.020 1 556 58 69 ASN HA H 4.071 0.020 1 557 58 69 ASN HB2 H 2.501 0.020 2 558 58 69 ASN HB3 H 3.287 0.020 2 559 58 69 ASN HD21 H 7.862 0.020 1 560 58 69 ASN HD22 H 7.144 0.020 1 561 58 69 ASN C C 175.802 0.200 1 562 58 69 ASN CA C 59.149 0.200 1 563 58 69 ASN CB C 37.773 0.200 1 564 58 69 ASN N N 112.150 0.200 1 565 58 69 ASN ND2 N 117.172 0.200 1 566 59 70 LEU H H 9.286 0.020 1 567 59 70 LEU HA H 4.496 0.020 1 568 59 70 LEU HB2 H 1.350 0.020 2 569 59 70 LEU HB3 H 1.588 0.020 2 570 59 70 LEU HG H 1.794 0.020 1 571 59 70 LEU HD1 H 1.016 0.020 2 572 59 70 LEU HD2 H 0.782 0.020 2 573 59 70 LEU C C 174.153 0.200 1 574 59 70 LEU CA C 56.087 0.200 1 575 59 70 LEU CB C 44.483 0.200 1 576 59 70 LEU CG C 26.947 0.200 1 577 59 70 LEU CD1 C 23.665 0.200 2 578 59 70 LEU CD2 C 25.084 0.200 2 579 59 70 LEU N N 125.465 0.200 1 580 60 71 ASP H H 8.204 0.020 1 581 60 71 ASP HA H 4.509 0.020 1 582 60 71 ASP HB2 H 3.082 0.020 2 583 60 71 ASP HB3 H 3.851 0.020 2 584 60 71 ASP C C 174.988 0.200 1 585 60 71 ASP CA C 52.897 0.200 1 586 60 71 ASP CB C 40.548 0.200 1 587 60 71 ASP N N 125.499 0.200 1 588 61 72 GLY H H 8.577 0.020 1 589 61 72 GLY HA2 H 3.923 0.020 2 590 61 72 GLY HA3 H 4.504 0.020 2 591 61 72 GLY C C 176.206 0.200 1 592 61 72 GLY CA C 49.319 0.200 1 593 61 72 GLY N N 106.264 0.200 1 594 62 73 LEU H H 9.325 0.020 1 595 62 73 LEU HA H 4.175 0.020 1 596 62 73 LEU HB2 H 1.444 0.020 2 597 62 73 LEU HB3 H 1.934 0.020 2 598 62 73 LEU HG H 1.913 0.020 1 599 62 73 LEU HD1 H 0.561 0.020 2 600 62 73 LEU HD2 H 0.895 0.020 2 601 62 73 LEU C C 179.258 0.200 1 602 62 73 LEU CA C 58.380 0.200 1 603 62 73 LEU CB C 41.321 0.200 1 604 62 73 LEU CG C 26.875 0.200 1 605 62 73 LEU CD1 C 23.147 0.200 2 606 62 73 LEU CD2 C 25.251 0.200 2 607 62 73 LEU N N 121.777 0.200 1 608 63 74 GLY H H 8.616 0.020 1 609 63 74 GLY HA2 H 3.857 0.020 2 610 63 74 GLY HA3 H 3.783 0.020 2 611 63 74 GLY C C 177.095 0.200 1 612 63 74 GLY CA C 47.461 0.200 1 613 63 74 GLY N N 108.303 0.200 1 614 64 75 PHE H H 8.999 0.020 1 615 64 75 PHE HA H 4.527 0.020 1 616 64 75 PHE HB2 H 3.260 0.020 2 617 64 75 PHE HB3 H 3.686 0.020 2 618 64 75 PHE HD1 H 7.422 0.020 3 619 64 75 PHE HD2 H 7.422 0.020 3 620 64 75 PHE HE1 H 6.716 0.020 3 621 64 75 PHE HE2 H 6.716 0.020 3 622 64 75 PHE HZ H 6.438 0.020 1 623 64 75 PHE C C 175.909 0.200 1 624 64 75 PHE CA C 59.800 0.200 1 625 64 75 PHE CB C 38.347 0.200 1 626 64 75 PHE CD1 C 131.957 0.200 3 627 64 75 PHE CD2 C 131.957 0.200 3 628 64 75 PHE CE1 C 129.281 0.200 3 629 64 75 PHE CE2 C 129.281 0.200 3 630 64 75 PHE CZ C 127.735 0.200 1 631 64 75 PHE N N 125.174 0.200 1 632 65 76 ILE H H 8.657 0.020 1 633 65 76 ILE HA H 3.224 0.020 1 634 65 76 ILE HB H 1.948 0.020 1 635 65 76 ILE HG12 H 2.019 0.020 2 636 65 76 ILE HG13 H 1.138 0.020 2 637 65 76 ILE HG2 H 0.794 0.020 1 638 65 76 ILE HD1 H 0.771 0.020 1 639 65 76 ILE C C 177.662 0.200 1 640 65 76 ILE CA C 66.291 0.200 1 641 65 76 ILE CB C 37.494 0.200 1 642 65 76 ILE CG1 C 28.765 0.200 1 643 65 76 ILE CG2 C 18.182 0.200 1 644 65 76 ILE CD1 C 14.021 0.200 1 645 65 76 ILE N N 119.872 0.200 1 646 66 77 ARG H H 8.424 0.020 1 647 66 77 ARG HA H 4.003 0.020 1 648 66 77 ARG HB2 H 1.920 0.020 2 649 66 77 ARG HB3 H 1.926 0.020 2 650 66 77 ARG HG2 H 1.706 0.020 1 651 66 77 ARG HG3 H 1.706 0.020 1 652 66 77 ARG HD2 H 3.200 0.020 1 653 66 77 ARG HD3 H 3.200 0.020 1 654 66 77 ARG C C 179.055 0.200 1 655 66 77 ARG CA C 60.069 0.200 1 656 66 77 ARG CB C 30.350 0.200 1 657 66 77 ARG CG C 29.010 0.200 1 658 66 77 ARG CD C 43.639 0.200 1 659 66 77 ARG N N 117.170 0.200 1 660 67 78 ALA H H 7.899 0.020 1 661 67 78 ALA HA H 4.290 0.020 1 662 67 78 ALA HB H 1.664 0.020 1 663 67 78 ALA C C 181.129 0.200 1 664 67 78 ALA CA C 54.807 0.200 1 665 67 78 ALA CB C 19.071 0.200 1 666 67 78 ALA N N 119.897 0.200 1 667 68 79 PHE H H 9.106 0.020 1 668 68 79 PHE HA H 4.327 0.020 1 669 68 79 PHE HB2 H 2.824 0.020 2 670 68 79 PHE HB3 H 2.912 0.020 2 671 68 79 PHE HD1 H 6.963 0.020 3 672 68 79 PHE HD2 H 6.963 0.020 3 673 68 79 PHE C C 177.579 0.200 1 674 68 79 PHE CA C 60.156 0.200 1 675 68 79 PHE CB C 39.646 0.200 1 676 68 79 PHE N N 120.017 0.200 1 677 69 80 ARG H H 8.212 0.020 1 678 69 80 ARG HA H 4.257 0.020 1 679 69 80 ARG HB2 H 1.991 0.020 2 680 69 80 ARG HB3 H 1.994 0.020 2 681 69 80 ARG HG2 H 1.994 0.020 2 682 69 80 ARG HG3 H 1.710 0.020 2 683 69 80 ARG HD2 H 3.249 0.020 1 684 69 80 ARG HD3 H 3.249 0.020 1 685 69 80 ARG C C 176.720 0.200 1 686 69 80 ARG CA C 57.276 0.200 1 687 69 80 ARG CB C 29.273 0.200 1 688 69 80 ARG CG C 28.439 0.200 1 689 69 80 ARG CD C 43.260 0.200 1 690 69 80 ARG N N 114.893 0.200 1 691 70 81 GLU H H 7.143 0.020 1 692 70 81 GLU HA H 4.141 0.020 1 693 70 81 GLU HB2 H 2.032 0.020 2 694 70 81 GLU HB3 H 1.941 0.020 2 695 70 81 GLU HG2 H 2.279 0.020 2 696 70 81 GLU HG3 H 2.592 0.020 2 697 70 81 GLU C C 176.885 0.200 1 698 70 81 GLU CA C 57.289 0.200 1 699 70 81 GLU CB C 30.006 0.200 1 700 70 81 GLU CG C 36.291 0.200 1 701 70 81 GLU N N 116.418 0.200 1 702 71 82 HIS H H 8.015 0.020 1 703 71 82 HIS HA H 4.791 0.020 1 704 71 82 HIS HB2 H 3.517 0.020 2 705 71 82 HIS HB3 H 3.131 0.020 2 706 71 82 HIS HD2 H 6.781 0.020 1 707 71 82 HIS HE1 H 8.044 0.020 1 708 71 82 HIS C C 175.171 0.200 1 709 71 82 HIS CA C 54.314 0.200 1 710 71 82 HIS CD2 C 118.248 0.200 1 711 71 82 HIS CE1 C 137.973 0.200 1 712 71 82 HIS N N 119.710 0.200 1 713 72 83 PRO HA H 4.329 0.020 1 714 72 83 PRO HB2 H 2.021 0.020 2 715 72 83 PRO HB3 H 2.381 0.020 2 716 72 83 PRO HG2 H 2.137 0.020 2 717 72 83 PRO HG3 H 2.148 0.020 2 718 72 83 PRO HD2 H 3.913 0.020 2 719 72 83 PRO HD3 H 4.008 0.020 2 720 72 83 PRO C C 178.470 0.200 1 721 72 83 PRO CA C 65.228 0.200 1 722 72 83 PRO CB C 31.833 0.200 1 723 72 83 PRO CG C 27.628 0.200 1 724 72 83 PRO CD C 51.873 0.200 1 725 73 84 GLU H H 10.016 0.020 1 726 73 84 GLU HA H 4.151 0.020 1 727 73 84 GLU HB2 H 2.002 0.020 2 728 73 84 GLU HB3 H 2.198 0.020 2 729 73 84 GLU HG2 H 2.457 0.020 2 730 73 84 GLU HG3 H 2.645 0.020 2 731 73 84 GLU C C 176.510 0.200 1 732 73 84 GLU CA C 59.398 0.200 1 733 73 84 GLU CB C 29.112 0.200 1 734 73 84 GLU CG C 37.423 0.200 1 735 73 84 GLU N N 119.574 0.200 1 736 74 85 SER H H 7.645 0.020 1 737 74 85 SER HA H 3.776 0.020 1 738 74 85 SER HB2 H 2.374 0.020 2 739 74 85 SER HB3 H 3.084 0.020 2 740 74 85 SER C C 176.114 0.200 1 741 74 85 SER CA C 59.336 0.200 1 742 74 85 SER CB C 63.833 0.200 1 743 74 85 SER N N 111.886 0.200 1 744 75 86 LYS H H 7.327 0.020 1 745 75 86 LYS HA H 4.028 0.020 1 746 75 86 LYS HB2 H 1.875 0.020 1 747 75 86 LYS HB3 H 1.875 0.020 1 748 75 86 LYS HG2 H 1.415 0.020 2 749 75 86 LYS HG3 H 1.536 0.020 2 750 75 86 LYS HD2 H 1.722 0.020 1 751 75 86 LYS HD3 H 1.722 0.020 1 752 75 86 LYS HE2 H 2.996 0.020 1 753 75 86 LYS HE3 H 2.996 0.020 1 754 75 86 LYS C C 177.871 0.200 1 755 75 86 LYS CA C 58.414 0.200 1 756 75 86 LYS CB C 31.869 0.200 1 757 75 86 LYS CG C 25.090 0.200 1 758 75 86 LYS CD C 29.024 0.200 1 759 75 86 LYS CE C 42.228 0.200 1 760 75 86 LYS N N 124.053 0.200 1 761 76 87 GLY HA2 H 3.850 0.020 2 762 76 87 GLY HA3 H 4.149 0.020 2 763 76 87 GLY C C 174.508 0.200 1 764 76 87 GLY CA C 45.718 0.200 1 765 77 88 LYS H H 7.443 0.020 1 766 77 88 LYS HA H 4.903 0.020 1 767 77 88 LYS HB2 H 2.021 0.020 2 768 77 88 LYS HB3 H 1.555 0.020 2 769 77 88 LYS HG2 H 1.472 0.020 2 770 77 88 LYS HG3 H 1.589 0.020 2 771 77 88 LYS HD2 H 1.766 0.020 1 772 77 88 LYS HD3 H 1.766 0.020 1 773 77 88 LYS HE2 H 3.312 0.020 1 774 77 88 LYS HE3 H 3.312 0.020 1 775 77 88 LYS C C 174.068 0.200 1 776 77 88 LYS CA C 52.984 0.200 1 777 77 88 LYS CB C 31.973 0.200 1 778 77 88 LYS CG C 24.790 0.200 1 779 77 88 LYS CD C 28.642 0.200 1 780 77 88 LYS CE C 42.866 0.200 1 781 77 88 LYS N N 120.152 0.200 1 782 78 89 PRO HA H 4.582 0.020 1 783 78 89 PRO HB2 H 2.358 0.020 2 784 78 89 PRO HB3 H 1.682 0.020 2 785 78 89 PRO HG2 H 2.121 0.020 1 786 78 89 PRO HG3 H 2.121 0.020 1 787 78 89 PRO HD2 H 4.388 0.020 2 788 78 89 PRO HD3 H 4.304 0.020 2 789 78 89 PRO C C 175.384 0.200 1 790 78 89 PRO CA C 63.176 0.200 1 791 78 89 PRO CB C 33.488 0.200 1 792 78 89 PRO CG C 27.669 0.200 1 793 78 89 PRO CD C 50.877 0.200 1 794 79 90 ILE H H 8.393 0.020 1 795 79 90 ILE HA H 5.169 0.020 1 796 79 90 ILE HB H 1.668 0.020 1 797 79 90 ILE HG12 H 1.988 0.020 2 798 79 90 ILE HG13 H 0.881 0.020 2 799 79 90 ILE HG2 H 0.777 0.020 1 800 79 90 ILE HD1 H 0.993 0.020 1 801 79 90 ILE C C 175.381 0.200 1 802 79 90 ILE CA C 59.685 0.200 1 803 79 90 ILE CB C 42.062 0.200 1 804 79 90 ILE CG1 C 27.563 0.200 1 805 79 90 ILE CG2 C 17.797 0.200 1 806 79 90 ILE CD1 C 15.002 0.200 1 807 79 90 ILE N N 120.326 0.200 1 808 80 91 ILE H H 9.311 0.020 1 809 80 91 ILE HA H 4.212 0.020 1 810 80 91 ILE HB H 1.653 0.020 1 811 80 91 ILE HG12 H 1.410 0.020 2 812 80 91 ILE HG13 H 0.762 0.020 2 813 80 91 ILE HG2 H 0.484 0.020 1 814 80 91 ILE HD1 H 0.616 0.020 1 815 80 91 ILE C C 172.441 0.200 1 816 80 91 ILE CA C 59.760 0.200 1 817 80 91 ILE CB C 39.855 0.200 1 818 80 91 ILE CG1 C 28.480 0.200 1 819 80 91 ILE CG2 C 17.530 0.200 1 820 80 91 ILE CD1 C 14.178 0.200 1 821 80 91 ILE N N 127.241 0.200 1 822 81 92 PHE H H 8.336 0.020 1 823 81 92 PHE HA H 4.947 0.020 1 824 81 92 PHE HB2 H 2.636 0.020 2 825 81 92 PHE HB3 H 3.300 0.020 2 826 81 92 PHE C C 172.536 0.200 1 827 81 92 PHE CA C 56.874 0.200 1 828 81 92 PHE CB C 43.057 0.200 1 829 81 92 PHE N N 130.838 0.200 1 830 82 93 LEU H H 8.566 0.020 1 831 82 93 LEU HA H 4.745 0.020 1 832 82 93 LEU HB2 H 1.006 0.020 2 833 82 93 LEU HB3 H 1.856 0.020 2 834 82 93 LEU HG H 1.323 0.020 1 835 82 93 LEU HD1 H 0.724 0.020 2 836 82 93 LEU HD2 H 0.336 0.020 2 837 82 93 LEU C C 173.720 0.200 1 838 82 93 LEU CA C 52.001 0.200 1 839 82 93 LEU CB C 43.058 0.200 1 840 82 93 LEU CG C 26.335 0.200 1 841 82 93 LEU CD1 C 25.253 0.200 2 842 82 93 LEU CD2 C 23.924 0.200 2 843 82 93 LEU N N 125.601 0.200 1 844 83 94 SER H H 8.101 0.020 1 845 83 94 SER HA H 4.525 0.020 1 846 83 94 SER HB2 H 3.226 0.020 2 847 83 94 SER HB3 H 3.329 0.020 2 848 83 94 SER C C 175.405 0.200 1 849 83 94 SER CA C 56.280 0.200 1 850 83 94 SER CB C 65.706 0.200 1 851 83 94 SER N N 113.924 0.200 1 852 84 95 THR H H 8.697 0.020 1 853 84 95 THR HA H 4.646 0.020 1 854 84 95 THR HB H 4.485 0.020 1 855 84 95 THR HG2 H 1.315 0.020 1 856 84 95 THR C C 174.267 0.200 1 857 84 95 THR CA C 62.428 0.200 1 858 84 95 THR CB C 69.316 0.200 1 859 84 95 THR CG2 C 22.257 0.200 1 860 84 95 THR N N 114.360 0.200 1 861 85 96 ASP H H 8.398 0.020 1 862 85 96 ASP HA H 4.958 0.020 1 863 85 96 ASP HB2 H 2.727 0.020 2 864 85 96 ASP HB3 H 2.902 0.020 2 865 85 96 ASP C C 175.557 0.200 1 866 85 96 ASP CA C 53.823 0.200 1 867 85 96 ASP CB C 43.905 0.200 1 868 85 96 ASP N N 122.580 0.200 1 869 86 97 SER HA H 4.652 0.020 1 870 86 97 SER HB2 H 4.034 0.020 2 871 86 97 SER HB3 H 4.240 0.020 2 872 86 97 SER C C 174.177 0.200 1 873 86 97 SER CA C 58.389 0.200 1 874 86 97 SER CB C 64.130 0.200 1 875 87 98 ALA H H 8.213 0.020 1 876 87 98 ALA HA H 4.259 0.020 1 877 87 98 ALA HB H 1.569 0.020 1 878 87 98 ALA C C 178.229 0.200 1 879 87 98 ALA CA C 53.242 0.200 1 880 87 98 ALA CB C 19.482 0.200 1 881 87 98 ALA N N 125.289 0.200 1 882 88 99 ASP HA H 4.298 0.020 1 883 88 99 ASP HB2 H 2.648 0.020 1 884 88 99 ASP HB3 H 2.648 0.020 1 885 88 99 ASP CA C 57.171 0.200 1 886 88 99 ASP CB C 40.766 0.200 1 887 89 100 THR HA H 3.983 0.020 1 888 89 100 THR HB H 4.158 0.020 1 889 89 100 THR HG2 H 1.269 0.020 1 890 89 100 THR C C 176.463 0.200 1 891 89 100 THR CA C 64.951 0.200 1 892 89 100 THR CB C 68.264 0.200 1 893 89 100 THR CG2 C 22.072 0.200 1 894 90 101 LEU H H 7.239 0.020 1 895 90 101 LEU HA H 4.331 0.020 1 896 90 101 LEU HB2 H 1.821 0.020 2 897 90 101 LEU HB3 H 2.033 0.020 2 898 90 101 LEU HG H 1.886 0.020 1 899 90 101 LEU HD1 H 1.263 0.020 2 900 90 101 LEU HD2 H 1.163 0.020 2 901 90 101 LEU C C 177.504 0.200 1 902 90 101 LEU CA C 56.888 0.200 1 903 90 101 LEU CB C 41.707 0.200 1 904 90 101 LEU CG C 27.667 0.200 1 905 90 101 LEU CD1 C 26.043 0.200 2 906 90 101 LEU CD2 C 23.874 0.200 2 907 90 101 LEU N N 123.859 0.200 1 908 91 102 LYS H H 7.380 0.020 1 909 91 102 LYS HA H 2.928 0.020 1 910 91 102 LYS HB2 H 0.743 0.020 2 911 91 102 LYS HB3 H 1.335 0.020 2 912 91 102 LYS HG2 H 0.122 0.020 2 913 91 102 LYS HG3 H 0.300 0.020 2 914 91 102 LYS HD2 H 1.021 0.020 2 915 91 102 LYS HD3 H 1.114 0.020 2 916 91 102 LYS HE2 H 2.405 0.020 2 917 91 102 LYS HE3 H 2.433 0.020 2 918 91 102 LYS C C 179.028 0.200 1 919 91 102 LYS CA C 59.733 0.200 1 920 91 102 LYS CB C 32.057 0.200 1 921 91 102 LYS CG C 24.255 0.200 1 922 91 102 LYS CD C 29.436 0.200 1 923 91 102 LYS CE C 41.739 0.200 1 924 91 102 LYS N N 120.948 0.200 1 925 92 103 GLN H H 7.842 0.020 1 926 92 103 GLN HA H 3.901 0.020 1 927 92 103 GLN HB2 H 2.073 0.020 2 928 92 103 GLN HB3 H 2.066 0.020 2 929 92 103 GLN HG2 H 2.353 0.020 1 930 92 103 GLN HG3 H 2.353 0.020 1 931 92 103 GLN HE21 H 7.671 0.020 1 932 92 103 GLN HE22 H 6.733 0.020 1 933 92 103 GLN C C 178.265 0.200 1 934 92 103 GLN CA C 58.534 0.200 1 935 92 103 GLN CB C 27.606 0.200 1 936 92 103 GLN CG C 33.004 0.200 1 937 92 103 GLN N N 117.492 0.200 1 938 92 103 GLN NE2 N 112.258 0.200 1 939 93 104 GLN H H 7.885 0.020 1 940 93 104 GLN HA H 3.973 0.020 1 941 93 104 GLN HB2 H 1.972 0.020 2 942 93 104 GLN HB3 H 2.239 0.020 2 943 93 104 GLN HG2 H 2.309 0.020 2 944 93 104 GLN HG3 H 2.602 0.020 2 945 93 104 GLN HE21 H 6.723 0.020 1 946 93 104 GLN HE22 H 7.229 0.020 1 947 93 104 GLN C C 179.170 0.200 1 948 93 104 GLN CA C 59.172 0.200 1 949 93 104 GLN CB C 29.066 0.200 1 950 93 104 GLN CG C 34.600 0.200 1 951 93 104 GLN N N 119.384 0.200 1 952 93 104 GLN NE2 N 110.499 0.200 1 953 94 105 ALA H H 8.588 0.020 1 954 94 105 ALA HA H 3.633 0.020 1 955 94 105 ALA HB H 0.965 0.020 1 956 94 105 ALA C C 178.888 0.200 1 957 94 105 ALA CA C 55.355 0.200 1 958 94 105 ALA CB C 16.727 0.200 1 959 94 105 ALA N N 122.259 0.200 1 960 95 106 ARG H H 7.789 0.020 1 961 95 106 ARG HA H 4.296 0.020 1 962 95 106 ARG HB2 H 1.898 0.020 2 963 95 106 ARG HB3 H 1.898 0.020 2 964 95 106 ARG HG2 H 1.712 0.020 2 965 95 106 ARG HG3 H 1.591 0.020 2 966 95 106 ARG HD2 H 3.200 0.020 1 967 95 106 ARG HD3 H 3.200 0.020 1 968 95 106 ARG C C 180.862 0.200 1 969 95 106 ARG CA C 59.064 0.200 1 970 95 106 ARG CB C 29.746 0.200 1 971 95 106 ARG CG C 27.021 0.200 1 972 95 106 ARG CD C 43.415 0.200 1 973 95 106 ARG N N 119.001 0.200 1 974 96 107 GLU H H 8.460 0.020 1 975 96 107 GLU HA H 3.941 0.020 1 976 96 107 GLU HB2 H 2.049 0.020 2 977 96 107 GLU HB3 H 2.055 0.020 2 978 96 107 GLU C C 178.101 0.200 1 979 96 107 GLU CA C 59.070 0.200 1 980 96 107 GLU CB C 29.291 0.200 1 981 96 107 GLU N N 120.881 0.200 1 982 97 108 ALA H H 7.747 0.020 1 983 97 108 ALA HA H 4.209 0.020 1 984 97 108 ALA HB H 1.412 0.020 1 985 97 108 ALA C C 176.734 0.200 1 986 97 108 ALA CA C 53.101 0.200 1 987 97 108 ALA CB C 18.719 0.200 1 988 97 108 ALA N N 119.287 0.200 1 989 98 109 GLY H H 7.390 0.020 1 990 98 109 GLY HA2 H 4.342 0.020 2 991 98 109 GLY HA3 H 3.646 0.020 2 992 98 109 GLY C C 174.062 0.200 1 993 98 109 GLY CA C 44.654 0.200 1 994 98 109 GLY N N 100.861 0.200 1 995 99 110 ALA H H 8.395 0.020 1 996 99 110 ALA HA H 4.587 0.020 1 997 99 110 ALA HB H 1.347 0.020 1 998 99 110 ALA C C 176.214 0.200 1 999 99 110 ALA CA C 52.412 0.200 1 1000 99 110 ALA CB C 19.245 0.200 1 1001 99 110 ALA N N 123.428 0.200 1 1002 100 111 MET H H 8.914 0.020 1 1003 100 111 MET HA H 4.675 0.020 1 1004 100 111 MET HB2 H 2.162 0.020 2 1005 100 111 MET HB3 H 2.091 0.020 2 1006 100 111 MET HG2 H 2.677 0.020 2 1007 100 111 MET HG3 H 2.821 0.020 2 1008 100 111 MET C C 176.844 0.200 1 1009 100 111 MET CA C 55.813 0.200 1 1010 100 111 MET CB C 33.960 0.200 1 1011 100 111 MET CG C 32.447 0.200 1 1012 100 111 MET N N 122.617 0.200 1 1013 101 112 GLY H H 8.362 0.020 1 1014 101 112 GLY HA2 H 3.376 0.020 2 1015 101 112 GLY HA3 H 4.649 0.020 2 1016 101 112 GLY C C 171.984 0.200 1 1017 101 112 GLY CA C 44.523 0.200 1 1018 101 112 GLY N N 105.397 0.200 1 1019 102 113 TRP HA H 5.619 0.020 1 1020 102 113 TRP HB2 H 3.101 0.020 2 1021 102 113 TRP HB3 H 3.291 0.020 2 1022 102 113 TRP HD1 H 7.034 0.020 1 1023 102 113 TRP HE1 H 10.070 0.020 1 1024 102 113 TRP HE3 H 7.547 0.020 1 1025 102 113 TRP HZ2 H 7.427 0.020 1 1026 102 113 TRP HZ3 H 6.818 0.020 1 1027 102 113 TRP HH2 H 7.202 0.020 1 1028 102 113 TRP C C 173.783 0.200 1 1029 102 113 TRP CA C 56.782 0.200 1 1030 102 113 TRP CB C 32.373 0.200 1 1031 102 113 TRP CD1 C 126.850 0.200 1 1032 102 113 TRP CE3 C 120.335 0.200 1 1033 102 113 TRP CZ2 C 114.603 0.200 1 1034 102 113 TRP CZ3 C 122.101 0.200 1 1035 102 113 TRP CH2 C 124.072 0.200 1 1036 102 113 TRP NE1 N 129.587 0.200 1 1037 103 114 MET H H 8.277 0.020 1 1038 103 114 MET HA H 4.357 0.020 1 1039 103 114 MET HB2 H 1.687 0.020 2 1040 103 114 MET HB3 H 1.449 0.020 2 1041 103 114 MET HG2 H 1.910 0.020 2 1042 103 114 MET HG3 H 2.133 0.020 2 1043 103 114 MET C C 172.523 0.200 1 1044 103 114 MET CA C 54.661 0.200 1 1045 103 114 MET CB C 37.543 0.200 1 1046 103 114 MET CG C 31.527 0.200 1 1047 103 114 MET N N 124.330 0.200 1 1048 104 115 VAL H H 8.106 0.020 1 1049 104 115 VAL HA H 4.399 0.020 1 1050 104 115 VAL HB H 1.850 0.020 1 1051 104 115 VAL HG1 H 0.881 0.020 2 1052 104 115 VAL HG2 H 0.874 0.020 2 1053 104 115 VAL C C 175.785 0.200 1 1054 104 115 VAL CA C 60.480 0.200 1 1055 104 115 VAL CB C 33.222 0.200 1 1056 104 115 VAL CG1 C 21.325 0.200 2 1057 104 115 VAL CG2 C 21.283 0.200 2 1058 104 115 VAL N N 121.275 0.200 1 1059 105 116 LYS H H 8.490 0.020 1 1060 105 116 LYS C C 174.927 0.200 1 1061 105 116 LYS CA C 54.912 0.200 1 1062 105 116 LYS CB C 33.587 0.200 1 1063 105 116 LYS N N 123.833 0.200 1 1064 106 117 PRO HA H 4.510 0.020 1 1065 106 117 PRO HB2 H 2.243 0.020 2 1066 106 117 PRO HB3 H 1.968 0.020 2 1067 106 117 PRO HG2 H 1.950 0.020 2 1068 106 117 PRO HG3 H 1.946 0.020 2 1069 106 117 PRO HD2 H 3.472 0.020 2 1070 106 117 PRO HD3 H 3.656 0.020 2 1071 106 117 PRO C C 174.625 0.200 1 1072 106 117 PRO CA C 62.272 0.200 1 1073 106 117 PRO CB C 34.552 0.200 1 1074 106 117 PRO CG C 24.622 0.200 1 1075 106 117 PRO CD C 50.335 0.200 1 1076 107 118 PHE H H 7.538 0.020 1 1077 107 118 PHE HA H 5.488 0.020 1 1078 107 118 PHE HB2 H 3.144 0.020 2 1079 107 118 PHE HB3 H 3.328 0.020 2 1080 107 118 PHE HD1 H 7.029 0.020 3 1081 107 118 PHE HD2 H 7.029 0.020 3 1082 107 118 PHE C C 174.640 0.200 1 1083 107 118 PHE CA C 54.189 0.200 1 1084 107 118 PHE CB C 42.244 0.200 1 1085 107 118 PHE N N 116.446 0.200 1 1086 108 119 THR H H 8.463 0.020 1 1087 108 119 THR HA H 4.690 0.020 1 1088 108 119 THR HB H 4.643 0.020 1 1089 108 119 THR HG2 H 1.250 0.020 1 1090 108 119 THR C C 175.524 0.200 1 1091 108 119 THR CA C 59.570 0.200 1 1092 108 119 THR CB C 71.538 0.200 1 1093 108 119 THR CG2 C 21.554 0.200 1 1094 108 119 THR N N 110.087 0.200 1 1095 109 120 GLN H H 9.333 0.020 1 1096 109 120 GLN HA H 4.188 0.020 1 1097 109 120 GLN HB2 H 2.277 0.020 2 1098 109 120 GLN HB3 H 2.277 0.020 2 1099 109 120 GLN HG2 H 2.596 0.020 2 1100 109 120 GLN HG3 H 2.596 0.020 2 1101 109 120 GLN HE21 H 7.587 0.020 1 1102 109 120 GLN HE22 H 7.033 0.020 1 1103 109 120 GLN C C 175.170 0.200 1 1104 109 120 GLN CA C 61.883 0.200 1 1105 109 120 GLN CB C 26.279 0.200 1 1106 109 120 GLN CG C 34.644 0.200 1 1107 109 120 GLN N N 119.796 0.200 1 1108 109 120 GLN NE2 N 112.703 0.200 1 1109 110 121 PRO HA H 4.298 0.020 1 1110 110 121 PRO HB2 H 1.840 0.020 2 1111 110 121 PRO HB3 H 2.383 0.020 2 1112 110 121 PRO HG2 H 2.051 0.020 2 1113 110 121 PRO HG3 H 2.162 0.020 2 1114 110 121 PRO HD2 H 4.000 0.020 2 1115 110 121 PRO HD3 H 3.906 0.020 2 1116 110 121 PRO C C 180.263 0.200 1 1117 110 121 PRO CA C 66.081 0.200 1 1118 110 121 PRO CB C 31.177 0.200 1 1119 110 121 PRO CG C 28.226 0.200 1 1120 110 121 PRO CD C 49.907 0.200 1 1121 111 122 GLN H H 7.245 0.020 1 1122 111 122 GLN HA H 4.103 0.020 1 1123 111 122 GLN HB2 H 2.523 0.020 2 1124 111 122 GLN HB3 H 2.030 0.020 2 1125 111 122 GLN HG2 H 2.498 0.020 1 1126 111 122 GLN HG3 H 2.498 0.020 1 1127 111 122 GLN HE21 H 7.055 0.020 1 1128 111 122 GLN HE22 H 7.515 0.020 1 1129 111 122 GLN C C 178.591 0.200 1 1130 111 122 GLN CA C 58.874 0.200 1 1131 111 122 GLN CB C 28.809 0.200 1 1132 111 122 GLN CG C 34.352 0.200 1 1133 111 122 GLN N N 116.685 0.200 1 1134 111 122 GLN NE2 N 110.784 0.200 1 1135 112 123 LEU H H 7.930 0.020 1 1136 112 123 LEU HA H 3.924 0.020 1 1137 112 123 LEU HB2 H 1.424 0.020 2 1138 112 123 LEU HB3 H 2.161 0.020 2 1139 112 123 LEU HG H 1.415 0.020 1 1140 112 123 LEU HD1 H 1.019 0.020 2 1141 112 123 LEU HD2 H 0.608 0.020 2 1142 112 123 LEU C C 177.717 0.200 1 1143 112 123 LEU CA C 57.571 0.200 1 1144 112 123 LEU CB C 41.089 0.200 1 1145 112 123 LEU CG C 27.517 0.200 1 1146 112 123 LEU CD1 C 28.036 0.200 2 1147 112 123 LEU CD2 C 22.198 0.200 2 1148 112 123 LEU N N 120.624 0.200 1 1149 113 124 LEU H H 8.347 0.020 1 1150 113 124 LEU HA H 3.875 0.020 1 1151 113 124 LEU HB2 H 1.570 0.020 2 1152 113 124 LEU HB3 H 1.705 0.020 2 1153 113 124 LEU HG H 1.619 0.020 1 1154 113 124 LEU HD1 H 0.934 0.020 2 1155 113 124 LEU HD2 H 0.865 0.020 2 1156 113 124 LEU C C 178.657 0.200 1 1157 113 124 LEU CA C 57.787 0.200 1 1158 113 124 LEU CB C 41.396 0.200 1 1159 113 124 LEU CG C 26.964 0.200 1 1160 113 124 LEU CD1 C 24.691 0.200 2 1161 113 124 LEU CD2 C 23.346 0.200 2 1162 113 124 LEU N N 117.779 0.200 1 1163 114 125 ALA H H 7.804 0.020 1 1164 114 125 ALA HA H 4.149 0.020 1 1165 114 125 ALA HB H 1.522 0.020 1 1166 114 125 ALA C C 180.853 0.200 1 1167 114 125 ALA CA C 55.132 0.200 1 1168 114 125 ALA CB C 18.073 0.200 1 1169 114 125 ALA N N 119.519 0.200 1 1170 115 126 VAL H H 7.626 0.020 1 1171 115 126 VAL HA H 3.873 0.020 1 1172 115 126 VAL HB H 2.140 0.020 1 1173 115 126 VAL HG1 H 0.895 0.020 2 1174 115 126 VAL HG2 H 1.084 0.020 2 1175 115 126 VAL C C 177.620 0.200 1 1176 115 126 VAL CA C 66.190 0.200 1 1177 115 126 VAL CB C 31.710 0.200 1 1178 115 126 VAL CG1 C 21.188 0.200 2 1179 115 126 VAL CG2 C 23.337 0.200 2 1180 115 126 VAL N N 119.518 0.200 1 1181 116 127 ILE H H 8.110 0.020 1 1182 116 127 ILE HA H 3.674 0.020 1 1183 116 127 ILE HB H 1.811 0.020 1 1184 116 127 ILE HG12 H 1.242 0.020 2 1185 116 127 ILE HG13 H 1.086 0.020 2 1186 116 127 ILE HG2 H 0.720 0.020 1 1187 116 127 ILE HD1 H 0.438 0.020 1 1188 116 127 ILE C C 177.416 0.200 1 1189 116 127 ILE CA C 63.187 0.200 1 1190 116 127 ILE CB C 36.704 0.200 1 1191 116 127 ILE CG1 C 28.273 0.200 1 1192 116 127 ILE CG2 C 17.181 0.200 1 1193 116 127 ILE CD1 C 11.853 0.200 1 1194 116 127 ILE N N 120.578 0.200 1 1195 117 128 LYS H H 8.069 0.020 1 1196 117 128 LYS HA H 4.021 0.020 1 1197 117 128 LYS HB2 H 1.955 0.020 2 1198 117 128 LYS HB3 H 1.873 0.020 2 1199 117 128 LYS C C 178.689 0.200 1 1200 117 128 LYS CA C 58.923 0.200 1 1201 117 128 LYS CB C 32.001 0.200 1 1202 117 128 LYS N N 120.012 0.200 1 1203 118 129 LYS H H 7.536 0.020 1 1204 118 129 LYS HA H 4.138 0.020 1 1205 118 129 LYS HB2 H 2.029 0.020 1 1206 118 129 LYS HB3 H 2.030 0.020 1 1207 118 129 LYS HG2 H 1.505 0.020 2 1208 118 129 LYS HG3 H 1.517 0.020 2 1209 118 129 LYS HD2 H 1.751 0.020 1 1210 118 129 LYS HD3 H 1.751 0.020 1 1211 118 129 LYS HE2 H 3.039 0.020 1 1212 118 129 LYS HE3 H 3.039 0.020 1 1213 118 129 LYS C C 178.447 0.200 1 1214 118 129 LYS CA C 58.836 0.200 1 1215 118 129 LYS CB C 32.802 0.200 1 1216 118 129 LYS CG C 24.869 0.200 1 1217 118 129 LYS CD C 29.254 0.200 1 1218 118 129 LYS CE C 42.252 0.200 1 1219 118 129 LYS N N 117.784 0.200 1 1220 119 130 VAL H H 8.008 0.020 1 1221 119 130 VAL HA H 4.153 0.020 1 1222 119 130 VAL HB H 2.116 0.020 1 1223 119 130 VAL HG1 H 0.974 0.020 2 1224 119 130 VAL HG2 H 0.892 0.020 2 1225 119 130 VAL C C 176.239 0.200 1 1226 119 130 VAL CA C 63.920 0.200 1 1227 119 130 VAL CB C 32.486 0.200 1 1228 119 130 VAL CG1 C 21.002 0.200 2 1229 119 130 VAL CG2 C 21.101 0.200 2 1230 119 130 VAL N N 112.713 0.200 1 1231 120 131 LEU H H 8.204 0.020 1 1232 120 131 LEU HA H 4.567 0.020 1 1233 120 131 LEU HB2 H 1.766 0.020 2 1234 120 131 LEU HB3 H 1.734 0.020 2 1235 120 131 LEU HG H 1.592 0.020 1 1236 120 131 LEU HD1 H 0.674 0.020 2 1237 120 131 LEU HD2 H 0.761 0.020 2 1238 120 131 LEU C C 176.906 0.200 1 1239 120 131 LEU CA C 55.475 0.200 1 1240 120 131 LEU CB C 42.852 0.200 1 1241 120 131 LEU CG C 27.342 0.200 1 1242 120 131 LEU CD1 C 25.316 0.200 2 1243 120 131 LEU CD2 C 24.064 0.200 2 1244 120 131 LEU N N 119.384 0.200 1 1245 121 132 GLY H H 7.674 0.020 1 1246 121 132 GLY HA2 H 3.797 0.020 2 1247 121 132 GLY HA3 H 4.008 0.020 2 1248 121 132 GLY C C 179.195 0.200 1 1249 121 132 GLY CA C 46.417 0.200 1 1250 121 132 GLY N N 114.695 0.200 1 stop_ save_