data_15477 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the extracellular domain of Prod1, a protein implicated in proximodistal identity during amphibian limb regeneration ; _BMRB_accession_number 15477 _BMRB_flat_file_name bmr15477.str _Entry_type original _Submission_date 2007-09-19 _Accession_date 2007-09-19 _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 Garza-Garcia Acely . . 2 Harris Richard . . 3 Esposito Diego . . 4 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 389 "13C chemical shifts" 300 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-14 original author . stop_ _Original_release_date 2009-10-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and phylogenetics of Prod1, a member of the three-finger protein superfamily implicated in salamander limb regeneration.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19771161 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Garza-Garcia Acely . . 2 Harris Richard . . 3 Esposito Diego . . 4 Gates Phillip B. . 5 Driscoll Paul C. . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 4 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7123 _Page_last . _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Prod1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Prod1 $Prod1 stop_ _System_molecular_weight 10208.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Prod1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Prod1 _Molecular_mass 10208.4 _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MALKCFTRNGDDRTVTTCAE EQTRCLFVQLPYSEIQECKT VQQCAEVLEEVTAIGYPAKC CCEDLCNRSEQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 MET 2 -1 GLY 3 0 SER 4 1 SER 5 2 HIS 6 3 HIS 7 4 HIS 8 5 HIS 9 6 HIS 10 7 HIS 11 8 SER 12 9 SER 13 10 GLY 14 11 LEU 15 12 VAL 16 13 PRO 17 14 ARG 18 15 GLY 19 16 SER 20 17 HIS 21 18 MET 22 19 ALA 23 20 LEU 24 21 LYS 25 22 CYS 26 23 PHE 27 24 THR 28 25 ARG 29 26 ASN 30 27 GLY 31 28 ASP 32 29 ASP 33 30 ARG 34 31 THR 35 32 VAL 36 33 THR 37 34 THR 38 35 CYS 39 36 ALA 40 37 GLU 41 38 GLU 42 39 GLN 43 40 THR 44 41 ARG 45 42 CYS 46 43 LEU 47 44 PHE 48 45 VAL 49 46 GLN 50 47 LEU 51 48 PRO 52 49 TYR 53 50 SER 54 51 GLU 55 52 ILE 56 53 GLN 57 54 GLU 58 55 CYS 59 56 LYS 60 57 THR 61 58 VAL 62 59 GLN 63 60 GLN 64 61 CYS 65 62 ALA 66 63 GLU 67 64 VAL 68 65 LEU 69 66 GLU 70 67 GLU 71 68 VAL 72 69 THR 73 70 ALA 74 71 ILE 75 72 GLY 76 73 TYR 77 74 PRO 78 75 ALA 79 76 LYS 80 77 CYS 81 78 CYS 82 79 CYS 83 80 GLU 84 81 ASP 85 82 LEU 86 83 CYS 87 84 ASN 88 85 ARG 89 86 SER 90 87 GLU 91 88 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JVE "Solution Structure Of The Extracellular Domain Of Prod1, A Protein Implicated In Proximodistal Identity During Amphibian Limb R" 100.00 91 100.00 100.00 1.11e-59 GB ABV29331 "Prod 1 [Notophthalmus viridescens]" 80.22 106 97.26 97.26 6.83e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $Prod1 'Eastern newt' 8316 Eukaryota Metazoa Notophthalmus viridescens ; Eastern newt lambdaZap cDNA forelimb blastemal library ; stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Prod1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' Gold pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prod1 1 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prod1 1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prod1 1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % . 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_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_aromatic_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C aromatic NOESY' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HA(CA)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CA)NH' _Sample_label $sample_2 save_ save_3D_HN(CACO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CACO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $ANSIG stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Prod1 _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 18 21 MET H H 8.231 0.02 1 2 18 21 MET HA H 4.413 0.02 1 3 18 21 MET HB2 H 1.89 0.02 2 4 18 21 MET HB3 H 2.01 0.02 2 5 18 21 MET HE H 2.058 0.02 1 6 18 21 MET HG2 H 2.427 0.02 2 7 18 21 MET HG3 H 2.493 0.02 2 8 18 21 MET C C 175.109 0.4 1 9 18 21 MET CA C 55.026 0.4 1 10 18 21 MET CB C 33.117 0.4 1 11 18 21 MET CE C 17.072 0.4 1 12 18 21 MET CG C 31.98 0.4 1 13 18 21 MET N N 122.496 0.1 1 14 19 22 ALA H H 8.052 0.02 1 15 19 22 ALA HA H 4.191 0.02 1 16 19 22 ALA HB H 1.256 0.02 1 17 19 22 ALA C C 176.151 0.4 1 18 19 22 ALA CA C 51.96 0.4 1 19 19 22 ALA CB C 19.784 0.4 1 20 19 22 ALA N N 125.891 0.1 1 21 20 23 LEU H H 8.117 0.02 1 22 20 23 LEU HA H 4.273 0.02 1 23 20 23 LEU HB2 H 1.233 0.02 2 24 20 23 LEU HB3 H 1.472 0.02 2 25 20 23 LEU HD1 H 0.71 0.02 2 26 20 23 LEU HD2 H 0.664 0.02 2 27 20 23 LEU HG H 1.427 0.02 1 28 20 23 LEU C C 174.307 0.4 1 29 20 23 LEU CA C 54.838 0.4 1 30 20 23 LEU CB C 44.574 0.4 1 31 20 23 LEU CD1 C 21.976 0.4 2 32 20 23 LEU CD2 C 26.177 0.4 2 33 20 23 LEU CG C 26.468 0.4 1 34 20 23 LEU N N 125.488 0.1 1 35 21 24 LYS H H 7.915 0.02 1 36 21 24 LYS HA H 5.287 0.02 1 37 21 24 LYS HB2 H 1.23 0.02 1 38 21 24 LYS HB3 H 1.23 0.02 1 39 21 24 LYS HD2 H 1.391 0.02 1 40 21 24 LYS HD3 H 1.391 0.02 1 41 21 24 LYS HE2 H 2.775 0.02 1 42 21 24 LYS HE3 H 2.775 0.02 1 43 21 24 LYS HG2 H 1.215 0.02 2 44 21 24 LYS HG3 H 1.355 0.02 2 45 21 24 LYS C C 175.901 0.4 1 46 21 24 LYS CA C 54.174 0.4 1 47 21 24 LYS CB C 34.841 0.4 1 48 21 24 LYS CD C 29.43 0.4 1 49 21 24 LYS CE C 41.699 0.4 1 50 21 24 LYS CG C 24.752 0.4 1 51 21 24 LYS N N 122.369 0.1 1 52 22 25 CYS H H 8.426 0.02 1 53 22 25 CYS HA H 4.886 0.02 1 54 22 25 CYS HB2 H 2.458 0.02 2 55 22 25 CYS HB3 H 3.059 0.02 2 56 22 25 CYS C C 175.309 0.4 1 57 22 25 CYS CA C 51.68 0.4 1 58 22 25 CYS CB C 41.829 0.4 1 59 22 25 CYS N N 117.505 0.1 1 60 23 26 PHE H H 8.96 0.02 1 61 23 26 PHE HA H 5.057 0.02 1 62 23 26 PHE HB2 H 2.589 0.02 2 63 23 26 PHE HB3 H 2.736 0.02 2 64 23 26 PHE HD1 H 6.968 0.02 1 65 23 26 PHE HD2 H 6.968 0.02 1 66 23 26 PHE C C 176.694 0.4 1 67 23 26 PHE CA C 60.302 0.4 1 68 23 26 PHE CB C 39.49 0.4 1 69 23 26 PHE CD1 C 131.38 0.4 1 70 23 26 PHE CD2 C 131.38 0.4 1 71 23 26 PHE N N 120.038 0.1 1 72 24 27 THR H H 9.071 0.02 1 73 24 27 THR HA H 4.96 0.02 1 74 24 27 THR HB H 4.096 0.02 1 75 24 27 THR HG2 H 1.148 0.02 1 76 24 27 THR C C 173.722 0.4 1 77 24 27 THR CA C 59.835 0.4 1 78 24 27 THR CB C 71.382 0.4 1 79 24 27 THR CG2 C 22.244 0.4 1 80 24 27 THR N N 114.266 0.1 1 81 25 28 ARG H H 8.398 0.02 1 82 25 28 ARG HA H 5.158 0.02 1 83 25 28 ARG HB2 H 1.956 0.02 2 84 25 28 ARG HB3 H 2.043 0.02 2 85 25 28 ARG HD2 H 3.256 0.02 1 86 25 28 ARG HD3 H 3.256 0.02 1 87 25 28 ARG HG2 H 1.656 0.02 1 88 25 28 ARG HG3 H 1.656 0.02 1 89 25 28 ARG C C 175.547 0.4 1 90 25 28 ARG CA C 54.586 0.4 1 91 25 28 ARG CB C 32.443 0.4 1 92 25 28 ARG CD C 43.312 0.4 1 93 25 28 ARG CG C 27.652 0.4 1 94 25 28 ARG N N 123.189 0.1 1 95 26 29 ASN H H 8.589 0.02 1 96 26 29 ASN HA H 4.938 0.02 1 97 26 29 ASN HB2 H 2.644 0.02 2 98 26 29 ASN HB3 H 2.835 0.02 2 99 26 29 ASN C C 175.273 0.4 1 100 26 29 ASN CA C 52.276 0.4 1 101 26 29 ASN CB C 39.66 0.4 1 102 26 29 ASN N N 125.242 0.1 1 103 27 30 GLY H H 9.046 0.02 1 104 27 30 GLY HA2 H 3.649 0.02 2 105 27 30 GLY HA3 H 3.996 0.02 2 106 27 30 GLY C C 174.707 0.4 1 107 27 30 GLY CA C 46.906 0.4 1 108 27 30 GLY N N 115.613 0.1 1 109 28 31 ASP H H 8.956 0.02 1 110 28 31 ASP HA H 4.648 0.02 1 111 28 31 ASP HB2 H 2.514 0.02 2 112 28 31 ASP HB3 H 2.832 0.02 2 113 28 31 ASP C C 175.67 0.4 1 114 28 31 ASP CA C 54.939 0.4 1 115 28 31 ASP CB C 41.505 0.4 1 116 28 31 ASP N N 126.791 0.1 1 117 29 32 ASP H H 7.973 0.02 1 118 29 32 ASP HA H 4.778 0.02 1 119 29 32 ASP HB2 H 2.701 0.02 2 120 29 32 ASP HB3 H 2.756 0.02 2 121 29 32 ASP C C 174.871 0.4 1 122 29 32 ASP CA C 54.192 0.4 1 123 29 32 ASP CB C 42.663 0.4 1 124 29 32 ASP N N 120.24 0.1 1 125 30 33 ARG H H 8.682 0.02 1 126 30 33 ARG HA H 5.02 0.02 1 127 30 33 ARG HB2 H 1.626 0.02 2 128 30 33 ARG HB3 H 1.815 0.02 2 129 30 33 ARG HD2 H 2.719 0.02 2 130 30 33 ARG HD3 H 2.934 0.02 2 131 30 33 ARG HG2 H 1.52 0.02 2 132 30 33 ARG HG3 H 1.589 0.02 2 133 30 33 ARG C C 175.569 0.4 1 134 30 33 ARG CA C 55.487 0.4 1 135 30 33 ARG CB C 31.962 0.4 1 136 30 33 ARG CD C 43.533 0.4 1 137 30 33 ARG CG C 27.336 0.4 1 138 30 33 ARG N N 125.183 0.1 1 139 31 34 THR H H 8.976 0.02 1 140 31 34 THR HA H 4.764 0.02 1 141 31 34 THR HB H 4.082 0.02 1 142 31 34 THR HG2 H 1.085 0.02 1 143 31 34 THR C C 172.745 0.4 1 144 31 34 THR CA C 59.891 0.4 1 145 31 34 THR CB C 71.522 0.4 1 146 31 34 THR CG2 C 20.988 0.4 1 147 31 34 THR N N 120.162 0.1 1 148 32 35 VAL H H 8.286 0.02 1 149 32 35 VAL HA H 4.11 0.02 1 150 32 35 VAL HB H 1.789 0.02 1 151 32 35 VAL HG1 H 0.601 0.02 2 152 32 35 VAL HG2 H 0.733 0.02 2 153 32 35 VAL C C 175.72 0.4 1 154 32 35 VAL CA C 62.838 0.4 1 155 32 35 VAL CB C 32.883 0.4 1 156 32 35 VAL CG1 C 21.765 0.4 2 157 32 35 VAL CG2 C 21.903 0.4 2 158 32 35 VAL N N 122.209 0.1 1 159 33 36 THR H H 8.749 0.02 1 160 33 36 THR HA H 4.486 0.02 1 161 33 36 THR HB H 3.795 0.02 1 162 33 36 THR HG2 H 1.075 0.02 1 163 33 36 THR C C 173.029 0.4 1 164 33 36 THR CA C 61.029 0.4 1 165 33 36 THR CB C 71.425 0.4 1 166 33 36 THR CG2 C 21.607 0.4 1 167 33 36 THR N N 125.259 0.1 1 168 34 37 THR H H 8.544 0.02 1 169 34 37 THR HA H 4.371 0.02 1 170 34 37 THR HB H 3.991 0.02 1 171 34 37 THR HG2 H 1.148 0.02 1 172 34 37 THR C C 173.839 0.4 1 173 34 37 THR CA C 62.892 0.4 1 174 34 37 THR CB C 68.156 0.4 1 175 34 37 THR CG2 C 22.182 0.4 1 176 34 37 THR N N 122.774 0.1 1 177 35 38 CYS H H 9.227 0.02 1 178 35 38 CYS HA H 4.516 0.02 1 179 35 38 CYS HB2 H 2.836 0.02 2 180 35 38 CYS HB3 H 3.807 0.02 2 181 35 38 CYS C C 174.923 0.4 1 182 35 38 CYS CA C 52.962 0.4 1 183 35 38 CYS CB C 37.439 0.4 1 184 35 38 CYS N N 129.056 0.1 1 185 36 39 ALA H H 8.113 0.02 1 186 36 39 ALA HA H 4.313 0.02 1 187 36 39 ALA HB H 1.388 0.02 1 188 36 39 ALA C C 178.809 0.4 1 189 36 39 ALA CA C 52.125 0.4 1 190 36 39 ALA CB C 19.235 0.4 1 191 36 39 ALA N N 122.621 0.1 1 192 37 40 GLU H H 8.701 0.02 1 193 37 40 GLU HA H 3.826 0.02 1 194 37 40 GLU HB2 H 1.927 0.02 2 195 37 40 GLU HB3 H 2.029 0.02 2 196 37 40 GLU HG2 H 2.229 0.02 1 197 37 40 GLU HG3 H 2.229 0.02 1 198 37 40 GLU C C 177.999 0.4 1 199 37 40 GLU CA C 60.104 0.4 1 200 37 40 GLU CB C 29.712 0.4 1 201 37 40 GLU CG C 36.374 0.4 1 202 37 40 GLU N N 120.905 0.1 1 203 38 41 GLU H H 8.87 0.02 1 204 38 41 GLU HA H 4.233 0.02 1 205 38 41 GLU HB2 H 2.064 0.02 2 206 38 41 GLU HB3 H 2.117 0.02 2 207 38 41 GLU HG2 H 2.242 0.02 1 208 38 41 GLU HG3 H 2.242 0.02 1 209 38 41 GLU C C 176.79 0.4 1 210 38 41 GLU CA C 57.438 0.4 1 211 38 41 GLU CB C 28.813 0.4 1 212 38 41 GLU CG C 36.386 0.4 1 213 38 41 GLU N N 113.838 0.1 1 214 39 42 GLN H H 7.935 0.02 1 215 39 42 GLN HA H 4.069 0.02 1 216 39 42 GLN HB2 H 1.598 0.02 2 217 39 42 GLN HB3 H 2.749 0.02 2 218 39 42 GLN HG2 H 2 0.02 2 219 39 42 GLN HG3 H 2.237 0.02 2 220 39 42 GLN C C 174.033 0.4 1 221 39 42 GLN CA C 55.177 0.4 1 222 39 42 GLN CB C 28.144 0.4 1 223 39 42 GLN CG C 33.44 0.4 1 224 39 42 GLN N N 120.919 0.1 1 225 40 43 THR H H 6.846 0.02 1 226 40 43 THR HA H 4.34 0.02 1 227 40 43 THR HB H 4.581 0.02 1 228 40 43 THR HG2 H 1.148 0.02 1 229 40 43 THR C C 175.221 0.4 1 230 40 43 THR CA C 60.677 0.4 1 231 40 43 THR CB C 68.516 0.4 1 232 40 43 THR CG2 C 21.842 0.4 1 233 40 43 THR N N 109.859 0.1 1 234 41 44 ARG H H 8.496 0.02 1 235 41 44 ARG HA H 5.001 0.02 1 236 41 44 ARG HB2 H 1.46 0.02 2 237 41 44 ARG HB3 H 1.72 0.02 2 238 41 44 ARG HD2 H 2.584 0.02 2 239 41 44 ARG HD3 H 3.504 0.02 2 240 41 44 ARG HG2 H 1.496 0.02 2 241 41 44 ARG HG3 H 1.582 0.02 2 242 41 44 ARG C C 174.082 0.4 1 243 41 44 ARG CA C 52.838 0.4 1 244 41 44 ARG CB C 34.466 0.4 1 245 41 44 ARG CD C 43.473 0.4 1 246 41 44 ARG CG C 27.34 0.4 1 247 41 44 ARG N N 122 0.1 1 248 42 45 CYS H H 8.814 0.02 1 249 42 45 CYS HA H 5.566 0.02 1 250 42 45 CYS HB2 H 2.949 0.02 2 251 42 45 CYS HB3 H 3.021 0.02 2 252 42 45 CYS C C 173.806 0.4 1 253 42 45 CYS CA C 51.956 0.4 1 254 42 45 CYS CB C 38.526 0.4 1 255 42 45 CYS N N 115.378 0.1 1 256 43 46 LEU H H 9.234 0.02 1 257 43 46 LEU HA H 5.382 0.02 1 258 43 46 LEU HB2 H 1.66 0.02 1 259 43 46 LEU HB3 H 1.66 0.02 1 260 43 46 LEU HD1 H 0.844 0.02 2 261 43 46 LEU HD2 H 0.964 0.02 2 262 43 46 LEU HG H 1.291 0.02 1 263 43 46 LEU C C 176.639 0.4 1 264 43 46 LEU CA C 53.739 0.4 1 265 43 46 LEU CB C 46.024 0.4 1 266 43 46 LEU CD1 C 28.548 0.4 2 267 43 46 LEU CD2 C 21.939 0.4 2 268 43 46 LEU CG C 28.268 0.4 1 269 43 46 LEU N N 122.94 0.1 1 270 44 47 PHE H H 9.048 0.02 1 271 44 47 PHE HA H 5.7 0.02 1 272 44 47 PHE HB2 H 2.73 0.02 1 273 44 47 PHE HB3 H 2.73 0.02 1 274 44 47 PHE HD1 H 6.968 0.02 1 275 44 47 PHE HD2 H 6.968 0.02 1 276 44 47 PHE HE1 H 7.127 0.02 1 277 44 47 PHE HE2 H 7.127 0.02 1 278 44 47 PHE C C 173.708 0.4 1 279 44 47 PHE CA C 56.494 0.4 1 280 44 47 PHE CB C 44.246 0.4 1 281 44 47 PHE CD1 C 131.38 0.4 1 282 44 47 PHE CD2 C 131.38 0.4 1 283 44 47 PHE CE1 C 131.51 0.4 1 284 44 47 PHE CE2 C 131.51 0.4 1 285 44 47 PHE N N 128.522 0.1 1 286 45 48 VAL H H 8.086 0.02 1 287 45 48 VAL HA H 4.234 0.02 1 288 45 48 VAL HB H 1.678 0.02 1 289 45 48 VAL HG1 H 0.764 0.02 2 290 45 48 VAL HG2 H 0.82 0.02 2 291 45 48 VAL C C 173.728 0.4 1 292 45 48 VAL CA C 61.11 0.4 1 293 45 48 VAL CB C 36.121 0.4 1 294 45 48 VAL CG1 C 21.955 0.4 2 295 45 48 VAL CG2 C 20.912 0.4 2 296 45 48 VAL N N 124.455 0.1 1 297 46 49 GLN H H 8.391 0.02 1 298 46 49 GLN HA H 4.155 0.02 1 299 46 49 GLN HB2 H 2.121 0.02 1 300 46 49 GLN HB3 H 2.121 0.02 1 301 46 49 GLN HG2 H 2.091 0.02 2 302 46 49 GLN HG3 H 2.159 0.02 2 303 46 49 GLN C C 174.214 0.4 1 304 46 49 GLN CA C 54.491 0.4 1 305 46 49 GLN CB C 29.986 0.4 1 306 46 49 GLN CG C 34.396 0.4 1 307 46 49 GLN N N 126.537 0.1 1 308 47 50 LEU H H 7.646 0.02 1 309 47 50 LEU HA H 3.856 0.02 1 310 47 50 LEU HB2 H 1.244 0.02 1 311 47 50 LEU HB3 H 1.244 0.02 1 312 47 50 LEU HD1 H 0.446 0.02 2 313 47 50 LEU HD2 H 0.552 0.02 2 314 47 50 LEU HG H 1.046 0.02 1 315 47 50 LEU C C 175.649 0.4 1 316 47 50 LEU CA C 53.706 0.4 1 317 47 50 LEU CB C 39.821 0.4 1 318 47 50 LEU CD1 C 23.903 0.4 2 319 47 50 LEU CD2 C 25.27 0.4 2 320 47 50 LEU CG C 28.013 0.4 1 321 47 50 LEU N N 127.637 0.1 1 322 48 51 PRO HA H 3.921 0.02 1 323 48 51 PRO HB2 H 1.35 0.02 2 324 48 51 PRO HB3 H 2.013 0.02 2 325 48 51 PRO HD2 H 2.982 0.02 2 326 48 51 PRO HD3 H 3.318 0.02 2 327 48 51 PRO HG2 H 1.846 0.02 2 328 48 51 PRO HG3 H 2.056 0.02 2 329 48 51 PRO C C 177.492 0.4 1 330 48 51 PRO CA C 65.923 0.4 1 331 48 51 PRO CB C 31.509 0.4 1 332 48 51 PRO CD C 49.964 0.4 1 333 48 51 PRO CG C 28.17 0.4 1 334 49 52 TYR H H 7.517 0.02 1 335 49 52 TYR HA H 4.79 0.02 1 336 49 52 TYR HB2 H 2.781 0.02 2 337 49 52 TYR HB3 H 3.221 0.02 2 338 49 52 TYR HD1 H 7.051 0.02 1 339 49 52 TYR HD2 H 7.051 0.02 1 340 49 52 TYR HE1 H 6.781 0.02 1 341 49 52 TYR HE2 H 6.781 0.02 1 342 49 52 TYR C C 175.214 0.4 1 343 49 52 TYR CA C 55.767 0.4 1 344 49 52 TYR CB C 39.277 0.4 1 345 49 52 TYR CD1 C 133.79 0.4 1 346 49 52 TYR CD2 C 133.79 0.4 1 347 49 52 TYR CE1 C 118.21 0.4 1 348 49 52 TYR CE2 C 118.21 0.4 1 349 49 52 TYR N N 109.643 0.1 1 350 50 53 SER H H 6.986 0.02 1 351 50 53 SER HA H 4.409 0.02 1 352 50 53 SER HB2 H 3.629 0.02 2 353 50 53 SER HB3 H 3.858 0.02 2 354 50 53 SER C C 171.925 0.4 1 355 50 53 SER CA C 57.189 0.4 1 356 50 53 SER CB C 63.786 0.4 1 357 50 53 SER N N 112.994 0.1 1 358 51 54 GLU H H 7.89 0.02 1 359 51 54 GLU HA H 4.903 0.02 1 360 51 54 GLU HB2 H 1.746 0.02 1 361 51 54 GLU HB3 H 1.746 0.02 1 362 51 54 GLU HG2 H 2.158 0.02 1 363 51 54 GLU HG3 H 2.158 0.02 1 364 51 54 GLU C C 175.536 0.4 1 365 51 54 GLU CA C 54.722 0.4 1 366 51 54 GLU CB C 33.225 0.4 1 367 51 54 GLU CG C 36.553 0.4 1 368 51 54 GLU N N 115.33 0.1 1 369 52 55 ILE H H 8.6 0.02 1 370 52 55 ILE HA H 4.302 0.02 1 371 52 55 ILE HB H 1.447 0.02 1 372 52 55 ILE HD1 H 0.717 0.02 1 373 52 55 ILE HG12 H 0.997 0.02 2 374 52 55 ILE HG13 H 1.32 0.02 2 375 52 55 ILE HG2 H 0.824 0.02 1 376 52 55 ILE C C 175.783 0.4 1 377 52 55 ILE CA C 60.36 0.4 1 378 52 55 ILE CB C 39.228 0.4 1 379 52 55 ILE CD1 C 12.327 0.4 1 380 52 55 ILE CG1 C 26.902 0.4 1 381 52 55 ILE CG2 C 17.455 0.4 1 382 52 55 ILE N N 122.129 0.1 1 383 53 56 GLN H H 8.573 0.02 1 384 53 56 GLN HA H 5.394 0.02 1 385 53 56 GLN HB2 H 1.875 0.02 2 386 53 56 GLN HB3 H 1.984 0.02 2 387 53 56 GLN HG2 H 2.173 0.02 2 388 53 56 GLN HG3 H 2.73 0.02 2 389 53 56 GLN C C 174.379 0.4 1 390 53 56 GLN CA C 54.79 0.4 1 391 53 56 GLN CB C 33.315 0.4 1 392 53 56 GLN CG C 36.268 0.4 1 393 53 56 GLN N N 126.768 0.1 1 394 54 57 GLU H H 7.782 0.02 1 395 54 57 GLU HA H 4.967 0.02 1 396 54 57 GLU HB2 H 1.636 0.02 2 397 54 57 GLU HB3 H 2.504 0.02 2 398 54 57 GLU HG2 H 2.183 0.02 2 399 54 57 GLU HG3 H 2.349 0.02 2 400 54 57 GLU C C 176.345 0.4 1 401 54 57 GLU CA C 55.405 0.4 1 402 54 57 GLU CB C 36.08 0.4 1 403 54 57 GLU CG C 36.147 0.4 1 404 54 57 GLU N N 117.99 0.1 1 405 55 58 CYS H H 8.78 0.02 1 406 55 58 CYS HA H 5.145 0.02 1 407 55 58 CYS HB2 H 2.621 0.02 2 408 55 58 CYS HB3 H 3.016 0.02 2 409 55 58 CYS C C 175.293 0.4 1 410 55 58 CYS CA C 57.749 0.4 1 411 55 58 CYS CB C 45.523 0.4 1 412 55 58 CYS N N 119.662 0.1 1 413 56 59 LYS H H 9.277 0.02 1 414 56 59 LYS HA H 4.896 0.02 1 415 56 59 LYS HB2 H 1.319 0.02 2 416 56 59 LYS HB3 H 2.108 0.02 2 417 56 59 LYS HD2 H 1.733 0.02 2 418 56 59 LYS HD3 H 1.954 0.02 2 419 56 59 LYS HE2 H 2.667 0.02 1 420 56 59 LYS HE3 H 2.777 0.02 1 421 56 59 LYS HG2 H 1.232 0.02 1 422 56 59 LYS HG3 H 1.232 0.02 1 423 56 59 LYS C C 176.049 0.4 1 424 56 59 LYS CA C 53.903 0.4 1 425 56 59 LYS CB C 40.637 0.4 1 426 56 59 LYS CD C 28.628 0.4 1 427 56 59 LYS CE C 42.088 0.4 1 428 56 59 LYS CG C 25.62 0.4 1 429 56 59 LYS N N 120.535 0.1 1 430 57 60 THR H H 7.997 0.02 1 431 57 60 THR HA H 4.876 0.02 1 432 57 60 THR HB H 4.805 0.02 1 433 57 60 THR HG2 H 1.269 0.02 1 434 57 60 THR C C 175.637 0.4 1 435 57 60 THR CA C 61.017 0.4 1 436 57 60 THR CB C 70.774 0.4 1 437 57 60 THR CG2 C 21.396 0.4 1 438 57 60 THR N N 108.91 0.1 1 439 58 61 VAL H H 8.689 0.02 1 440 58 61 VAL HA H 3.477 0.02 1 441 58 61 VAL HB H 1.978 0.02 1 442 58 61 VAL HG1 H 0.932 0.02 2 443 58 61 VAL HG2 H 0.984 0.02 2 444 58 61 VAL C C 178.541 0.4 1 445 58 61 VAL CA C 67.024 0.4 1 446 58 61 VAL CB C 31.751 0.4 1 447 58 61 VAL CG1 C 20.733 0.4 2 448 58 61 VAL CG2 C 22.524 0.4 2 449 58 61 VAL N N 121.313 0.1 1 450 59 62 GLN H H 8.564 0.02 1 451 59 62 GLN HA H 4.062 0.02 1 452 59 62 GLN HB2 H 1.906 0.02 2 453 59 62 GLN HB3 H 2.1 0.02 2 454 59 62 GLN HG2 H 2.395 0.02 1 455 59 62 GLN HG3 H 2.395 0.02 1 456 59 62 GLN C C 178.871 0.4 1 457 59 62 GLN CA C 58.993 0.4 1 458 59 62 GLN CB C 28.085 0.4 1 459 59 62 GLN CG C 33.506 0.4 1 460 59 62 GLN N N 119.395 0.1 1 461 60 63 GLN H H 7.644 0.02 1 462 60 63 GLN HA H 4.082 0.02 1 463 60 63 GLN HB2 H 1.904 0.02 2 464 60 63 GLN HB3 H 2.155 0.02 2 465 60 63 GLN HG2 H 2.462 0.02 1 466 60 63 GLN HG3 H 2.462 0.02 1 467 60 63 GLN C C 179.023 0.4 1 468 60 63 GLN CA C 58.106 0.4 1 469 60 63 GLN CB C 29.283 0.4 1 470 60 63 GLN CG C 34.299 0.4 1 471 60 63 GLN N N 116.638 0.1 1 472 61 64 CYS H H 8.543 0.02 1 473 61 64 CYS HA H 3.951 0.02 1 474 61 64 CYS HB2 H 2.991 0.02 2 475 61 64 CYS HB3 H 3.429 0.02 2 476 61 64 CYS C C 176.171 0.4 1 477 61 64 CYS CA C 64.735 0.4 1 478 61 64 CYS CB C 40.828 0.4 1 479 61 64 CYS N N 118.614 0.1 1 480 62 65 ALA H H 7.791 0.02 1 481 62 65 ALA HA H 4.021 0.02 1 482 62 65 ALA HB H 1.501 0.02 1 483 62 65 ALA C C 180.353 0.4 1 484 62 65 ALA CA C 55.249 0.4 1 485 62 65 ALA CB C 18.069 0.4 1 486 62 65 ALA N N 119.479 0.1 1 487 63 66 GLU H H 7.685 0.02 1 488 63 66 GLU HA H 4.041 0.02 1 489 63 66 GLU HB2 H 2.054 0.02 2 490 63 66 GLU HB3 H 2.167 0.02 2 491 63 66 GLU HG2 H 2.258 0.02 2 492 63 66 GLU HG3 H 2.5 0.02 2 493 63 66 GLU C C 179.701 0.4 1 494 63 66 GLU CA C 59.44 0.4 1 495 63 66 GLU CB C 29.735 0.4 1 496 63 66 GLU CG C 36.519 0.4 1 497 63 66 GLU N N 117.981 0.1 1 498 64 67 VAL H H 7.795 0.02 1 499 64 67 VAL HA H 3.826 0.02 1 500 64 67 VAL HB H 2.079 0.02 1 501 64 67 VAL HG1 H 0.938 0.02 2 502 64 67 VAL HG2 H 1.056 0.02 2 503 64 67 VAL C C 178.078 0.4 1 504 64 67 VAL CA C 66.262 0.4 1 505 64 67 VAL CB C 31.703 0.4 1 506 64 67 VAL CG1 C 22.454 0.4 2 507 64 67 VAL CG2 C 22.479 0.4 2 508 64 67 VAL N N 120.422 0.1 1 509 65 68 LEU H H 8.563 0.02 1 510 65 68 LEU HA H 3.897 0.02 1 511 65 68 LEU HB2 H 1.726 0.02 2 512 65 68 LEU HB3 H 1.83 0.02 2 513 65 68 LEU HD1 H 0.776 0.02 2 514 65 68 LEU HD2 H 0.796 0.02 2 515 65 68 LEU HG H 1.701 0.02 1 516 65 68 LEU C C 180.593 0.4 1 517 65 68 LEU CA C 58.495 0.4 1 518 65 68 LEU CB C 41.633 0.4 1 519 65 68 LEU CD1 C 24.934 0.4 2 520 65 68 LEU CD2 C 25.426 0.4 2 521 65 68 LEU CG C 26.941 0.4 1 522 65 68 LEU N N 119.314 0.1 1 523 66 69 GLU H H 8.071 0.02 1 524 66 69 GLU HA H 3.947 0.02 1 525 66 69 GLU HB2 H 2.122 0.02 1 526 66 69 GLU HB3 H 2.122 0.02 1 527 66 69 GLU HG2 H 2.293 0.02 2 528 66 69 GLU HG3 H 2.375 0.02 2 529 66 69 GLU C C 178.591 0.4 1 530 66 69 GLU CA C 59.727 0.4 1 531 66 69 GLU CB C 29.549 0.4 1 532 66 69 GLU CG C 36.167 0.4 1 533 66 69 GLU N N 120.124 0.1 1 534 67 70 GLU H H 7.471 0.02 1 535 67 70 GLU HA H 4.111 0.02 1 536 67 70 GLU HB2 H 2.226 0.02 1 537 67 70 GLU HB3 H 2.226 0.02 1 538 67 70 GLU HG2 H 2.146 0.02 2 539 67 70 GLU HG3 H 2.38 0.02 2 540 67 70 GLU C C 179.873 0.4 1 541 67 70 GLU CA C 59.439 0.4 1 542 67 70 GLU CB C 30.021 0.4 1 543 67 70 GLU CG C 36.023 0.4 1 544 67 70 GLU N N 119.545 0.1 1 545 68 71 VAL H H 8.79 0.02 1 546 68 71 VAL HA H 4.137 0.02 1 547 68 71 VAL HB H 2.406 0.02 1 548 68 71 VAL HG1 H 1.111 0.02 2 549 68 71 VAL HG2 H 1.13 0.02 2 550 68 71 VAL C C 178.818 0.4 1 551 68 71 VAL CA C 64.321 0.4 1 552 68 71 VAL CB C 31.23 0.4 1 553 68 71 VAL CG1 C 21.723 0.4 2 554 68 71 VAL CG2 C 19.916 0.4 2 555 68 71 VAL N N 111.497 0.1 1 556 69 72 THR H H 8.231 0.02 1 557 69 72 THR HA H 4.161 0.02 1 558 69 72 THR HB H 4.243 0.02 1 559 69 72 THR HG2 H 1.332 0.02 1 560 69 72 THR C C 177.502 0.4 1 561 69 72 THR CA C 66.179 0.4 1 562 69 72 THR CB C 68.77 0.4 1 563 69 72 THR CG2 C 21.286 0.4 1 564 69 72 THR N N 118.078 0.1 1 565 70 73 ALA H H 7.177 0.02 1 566 70 73 ALA HA H 4.139 0.02 1 567 70 73 ALA HB H 1.502 0.02 1 568 70 73 ALA C C 179.116 0.4 1 569 70 73 ALA CA C 54.69 0.4 1 570 70 73 ALA CB C 18.039 0.4 1 571 70 73 ALA N N 123.757 0.1 1 572 71 74 ILE H H 6.874 0.02 1 573 71 74 ILE HA H 3.988 0.02 1 574 71 74 ILE HB H 1.559 0.02 1 575 71 74 ILE HD1 H 0.71 0.02 1 576 71 74 ILE HG12 H 0.989 0.02 2 577 71 74 ILE HG13 H 1.233 0.02 2 578 71 74 ILE HG2 H 0.521 0.02 1 579 71 74 ILE C C 176.201 0.4 1 580 71 74 ILE CA C 61.927 0.4 1 581 71 74 ILE CB C 38.431 0.4 1 582 71 74 ILE CD1 C 13.747 0.4 1 583 71 74 ILE CG1 C 27.418 0.4 1 584 71 74 ILE CG2 C 17.437 0.4 1 585 71 74 ILE N N 113.131 0.1 1 586 72 75 GLY H H 7.476 0.02 1 587 72 75 GLY HA2 H 3.663 0.02 2 588 72 75 GLY HA3 H 4.166 0.02 2 589 72 75 GLY C C 174.832 0.4 1 590 72 75 GLY CA C 45.144 0.4 1 591 72 75 GLY N N 106.405 0.1 1 592 73 76 TYR H H 7.34 0.02 1 593 73 76 TYR HA H 5.184 0.02 1 594 73 76 TYR HB2 H 2.474 0.02 2 595 73 76 TYR HB3 H 3.215 0.02 2 596 73 76 TYR HD1 H 6.844 0.02 1 597 73 76 TYR HD2 H 6.844 0.02 1 598 73 76 TYR HE1 H 6.747 0.02 1 599 73 76 TYR HE2 H 6.747 0.02 1 600 73 76 TYR C C 173.889 0.4 1 601 73 76 TYR CA C 52.922 0.4 1 602 73 76 TYR CB C 36.723 0.4 1 603 73 76 TYR CD1 C 131.42 0.4 1 604 73 76 TYR CD2 C 131.42 0.4 1 605 73 76 TYR CE1 C 118.51 0.4 1 606 73 76 TYR CE2 C 118.51 0.4 1 607 73 76 TYR N N 122.416 0.1 1 608 74 77 PRO HA H 4.394 0.02 1 609 74 77 PRO HB2 H 1.929 0.02 2 610 74 77 PRO HB3 H 2.409 0.02 2 611 74 77 PRO HD2 H 4.04 0.02 2 612 74 77 PRO HD3 H 4.224 0.02 2 613 74 77 PRO HG2 H 2.03 0.02 2 614 74 77 PRO HG3 H 2.172 0.02 2 615 74 77 PRO C C 175.722 0.4 1 616 74 77 PRO CA C 63.242 0.4 1 617 74 77 PRO CB C 32.46 0.4 1 618 74 77 PRO CD C 50.959 0.4 1 619 74 77 PRO CG C 27.912 0.4 1 620 75 78 ALA H H 7.778 0.02 1 621 75 78 ALA HA H 5.239 0.02 1 622 75 78 ALA HB H 1.367 0.02 1 623 75 78 ALA C C 176.207 0.4 1 624 75 78 ALA CA C 51.422 0.4 1 625 75 78 ALA CB C 25.258 0.4 1 626 75 78 ALA N N 122.638 0.1 1 627 76 79 LYS H H 9.213 0.02 1 628 76 79 LYS HA H 4.632 0.02 1 629 76 79 LYS HB2 H 1.743 0.02 2 630 76 79 LYS HB3 H 1.948 0.02 2 631 76 79 LYS HD2 H 1.645 0.02 1 632 76 79 LYS HD3 H 1.645 0.02 1 633 76 79 LYS HE2 H 2.857 0.02 1 634 76 79 LYS HE3 H 2.89 0.02 1 635 76 79 LYS HG2 H 1.176 0.02 2 636 76 79 LYS HG3 H 1.376 0.02 2 637 76 79 LYS C C 173.669 0.4 1 638 76 79 LYS CA C 55.912 0.4 1 639 76 79 LYS CB C 36.309 0.4 1 640 76 79 LYS CD C 29.679 0.4 1 641 76 79 LYS CE C 42.35 0.4 1 642 76 79 LYS CG C 24.609 0.4 1 643 76 79 LYS N N 115.751 0.1 1 644 77 80 CYS H H 8.602 0.02 1 645 77 80 CYS HA H 5.535 0.02 1 646 77 80 CYS HB2 H 2.698 0.02 2 647 77 80 CYS HB3 H 3.201 0.02 2 648 77 80 CYS C C 174.029 0.4 1 649 77 80 CYS CA C 56.029 0.4 1 650 77 80 CYS CB C 47.796 0.4 1 651 77 80 CYS N N 119.633 0.1 1 652 78 81 CYS H H 9.428 0.02 1 653 78 81 CYS HA H 5.391 0.02 1 654 78 81 CYS HB2 H 3.148 0.02 2 655 78 81 CYS HB3 H 3.805 0.02 2 656 78 81 CYS C C 173.98 0.4 1 657 78 81 CYS CA C 54.237 0.4 1 658 78 81 CYS CB C 47.557 0.4 1 659 78 81 CYS N N 120.091 0.1 1 660 79 82 CYS H H 9.291 0.02 1 661 79 82 CYS HA H 5.134 0.02 1 662 79 82 CYS HB2 H 2.98 0.02 2 663 79 82 CYS HB3 H 3.827 0.02 2 664 79 82 CYS C C 172.349 0.4 1 665 79 82 CYS CA C 56.628 0.4 1 666 79 82 CYS CB C 46.122 0.4 1 667 79 82 CYS N N 117.137 0.1 1 668 80 83 GLU H H 7.283 0.02 1 669 80 83 GLU HA H 4.625 0.02 1 670 80 83 GLU HB2 H 1.827 0.02 2 671 80 83 GLU HB3 H 1.993 0.02 2 672 80 83 GLU HG2 H 2.248 0.02 1 673 80 83 GLU HG3 H 2.248 0.02 1 674 80 83 GLU C C 174.435 0.4 1 675 80 83 GLU CA C 54.873 0.4 1 676 80 83 GLU CB C 33.106 0.4 1 677 80 83 GLU CG C 36.605 0.4 1 678 80 83 GLU N N 120.821 0.1 1 679 81 84 ASP H H 8.433 0.02 1 680 81 84 ASP HA H 4.956 0.02 1 681 81 84 ASP HB2 H 2.242 0.02 2 682 81 84 ASP HB3 H 2.433 0.02 2 683 81 84 ASP C C 178.149 0.4 1 684 81 84 ASP CA C 55.409 0.4 1 685 81 84 ASP CB C 40.817 0.4 1 686 81 84 ASP N N 121.789 0.1 1 687 82 85 LEU H H 9.244 0.02 1 688 82 85 LEU HA H 3.308 0.02 1 689 82 85 LEU HB2 H 1.475 0.02 2 690 82 85 LEU HB3 H 1.845 0.02 2 691 82 85 LEU HD2 H 0.63 0.02 2 692 82 85 LEU HG H 0.948 0.02 1 693 82 85 LEU C C 176.858 0.4 1 694 82 85 LEU CA C 56.047 0.4 1 695 82 85 LEU CB C 36.885 0.4 1 696 82 85 LEU CD2 C 25.025 0.4 2 697 82 85 LEU CG C 27.152 0.4 1 698 82 85 LEU N N 114.422 0.1 1 699 83 86 CYS H H 8.005 0.02 1 700 83 86 CYS HA H 4.547 0.02 1 701 83 86 CYS HB2 H 3.531 0.02 1 702 83 86 CYS HB3 H 3.531 0.02 1 703 83 86 CYS C C 174.632 0.4 1 704 83 86 CYS CA C 57.206 0.4 1 705 83 86 CYS CB C 47.155 0.4 1 706 83 86 CYS N N 112.558 0.1 1 707 84 87 ASN H H 8.859 0.02 1 708 84 87 ASN HA H 4.526 0.02 1 709 84 87 ASN HB2 H 2.303 0.02 2 710 84 87 ASN HB3 H 3.154 0.02 2 711 84 87 ASN C C 172.146 0.4 1 712 84 87 ASN CA C 52.617 0.4 1 713 84 87 ASN CB C 36.673 0.4 1 714 84 87 ASN N N 119.985 0.1 1 715 85 88 ARG H H 7.353 0.02 1 716 85 88 ARG HA H 3.734 0.02 1 717 85 88 ARG HB2 H 1.624 0.02 2 718 85 88 ARG HB3 H 1.71 0.02 2 719 85 88 ARG HD2 H 3.115 0.02 1 720 85 88 ARG HD3 H 3.115 0.02 1 721 85 88 ARG HG2 H 1.278 0.02 2 722 85 88 ARG HG3 H 1.463 0.02 2 723 85 88 ARG C C 173.901 0.4 1 724 85 88 ARG CA C 55.058 0.4 1 725 85 88 ARG CB C 31.857 0.4 1 726 85 88 ARG CD C 43.458 0.4 1 727 85 88 ARG CG C 25.866 0.4 1 728 85 88 ARG N N 118.446 0.1 1 729 86 89 SER H H 7.987 0.02 1 730 86 89 SER HA H 3.689 0.02 1 731 86 89 SER HB2 H 3.647 0.02 2 732 86 89 SER HB3 H 3.717 0.02 2 733 86 89 SER C C 174.342 0.4 1 734 86 89 SER CA C 57.844 0.4 1 735 86 89 SER CB C 63.504 0.4 1 736 86 89 SER N N 115.514 0.1 1 737 87 90 GLU H H 8.461 0.02 1 738 87 90 GLU HA H 4.125 0.02 1 739 87 90 GLU HB2 H 1.839 0.02 2 740 87 90 GLU HB3 H 2.026 0.02 2 741 87 90 GLU HG2 H 2.14 0.02 1 742 87 90 GLU HG3 H 2.14 0.02 1 743 87 90 GLU C C 175.632 0.4 1 744 87 90 GLU CA C 56.799 0.4 1 745 87 90 GLU CB C 30.049 0.4 1 746 87 90 GLU CG C 36.207 0.4 1 747 87 90 GLU N N 122.917 0.1 1 748 88 91 GLN H H 7.868 0.02 1 749 88 91 GLN HA H 4.047 0.02 1 750 88 91 GLN HB2 H 1.827 0.02 2 751 88 91 GLN HB3 H 2.021 0.02 2 752 88 91 GLN HG2 H 2.215 0.02 1 753 88 91 GLN HG3 H 2.215 0.02 1 754 88 91 GLN C C 180.635 0.4 1 755 88 91 GLN CA C 57.416 0.4 1 756 88 91 GLN CB C 30.267 0.4 1 757 88 91 GLN CG C 34.295 0.4 1 758 88 91 GLN N N 125.447 0.1 1 stop_ save_