data_7303 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for proapoptotic protein Nix (1~156) from Danio rerio ; _BMRB_accession_number 7303 _BMRB_flat_file_name bmr7303.str _Entry_type new _Submission_date 2006-09-26 _Accession_date 2006-09-26 _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 Chu Feng-I . Sr. 2 Ho Yu . Sr. 3 Hung Chang-Jen . Sr. 4 Tzou 'Der-Lii, M' . Sr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 675 "13C chemical shifts" 512 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments for proapoptotic protein Nix (residue 1 approximately 156) from Danio rerio' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636819 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chu Feng-I . . 2 Ho Yu . . 3 Huang Chang-Jen . . 4 Tzou Der-Lii M. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 29 _Page_last 31 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NIX _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NIX $NIX stop_ _System_molecular_weight 18039 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details 'no assembly, momonic NIX' save_ ######################## # Monomeric polymers # ######################## save_NIX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '15N Zebrafish NIX' _Molecular_mass 18039 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MSTTAAAQLNNNEEPGLNGS WVELEMNGNTQHQSPSLPSL LGNGNQGEPQASQALEAVQE EEEVLTGGLEHVPSSSSIHN GDMEKILLDAQHESSPSSSS CNSPPRPHSPDQDEGQIMFD VEMPSERDCQSEDDSMEKDK EDDILMNKGESWVADWFEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 THR 4 THR 5 ALA 6 ALA 7 ALA 8 GLN 9 LEU 10 ASN 11 ASN 12 ASN 13 GLU 14 GLU 15 PRO 16 GLY 17 LEU 18 ASN 19 GLY 20 SER 21 TRP 22 VAL 23 GLU 24 LEU 25 GLU 26 MET 27 ASN 28 GLY 29 ASN 30 THR 31 GLN 32 HIS 33 GLN 34 SER 35 PRO 36 SER 37 LEU 38 PRO 39 SER 40 LEU 41 LEU 42 GLY 43 ASN 44 GLY 45 ASN 46 GLN 47 GLY 48 GLU 49 PRO 50 GLN 51 ALA 52 SER 53 GLN 54 ALA 55 LEU 56 GLU 57 ALA 58 VAL 59 GLN 60 GLU 61 GLU 62 GLU 63 GLU 64 VAL 65 LEU 66 THR 67 GLY 68 GLY 69 LEU 70 GLU 71 HIS 72 VAL 73 PRO 74 SER 75 SER 76 SER 77 SER 78 ILE 79 HIS 80 ASN 81 GLY 82 ASP 83 MET 84 GLU 85 LYS 86 ILE 87 LEU 88 LEU 89 ASP 90 ALA 91 GLN 92 HIS 93 GLU 94 SER 95 SER 96 PRO 97 SER 98 SER 99 SER 100 SER 101 CYS 102 ASN 103 SER 104 PRO 105 PRO 106 ARG 107 PRO 108 HIS 109 SER 110 PRO 111 ASP 112 GLN 113 ASP 114 GLU 115 GLY 116 GLN 117 ILE 118 MET 119 PHE 120 ASP 121 VAL 122 GLU 123 MET 124 PRO 125 SER 126 GLU 127 ARG 128 ASP 129 CYS 130 GLN 131 SER 132 GLU 133 ASP 134 ASP 135 SER 136 MET 137 GLU 138 LYS 139 ASP 140 LYS 141 GLU 142 ASP 143 ASP 144 ILE 145 LEU 146 MET 147 ASN 148 LYS 149 GLY 150 GLU 151 SER 152 TRP 153 VAL 154 ALA 155 ASP 156 TRP 157 PHE 158 GLU 159 HIS 160 HIS 161 HIS 162 HIS 163 HIS 164 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AAI63834 "BCL2/adenovirus E1B interacting protein 3-like, 2 [Danio rerio]" 95.12 233 99.36 99.36 1.40e-105 GB AAI63857 "BCL2/adenovirus E1B interacting protein 3-like, 2 [Danio rerio]" 95.12 233 99.36 99.36 1.40e-105 GB AAR83677 "Bcl-2/adenovirus E1B 19kD interaction protein X [Danio rerio]" 95.12 233 99.36 99.36 1.40e-105 REF NP_001012242 "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3-like [Danio rerio]" 95.12 233 99.36 99.36 1.40e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NIX Zebrafish 7955 Eukaryota Metazoa Danio rerio 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 $NIX 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Zebrafish_NIX_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NIX 1.5 mM 0.1 1.5 '[U-90% 15N]' stop_ save_ save_Zebrafish_NIX_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NIX 1.5 mM 0.1 1.5 '[U-95% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.0.b.13 loop_ _Task 'data processing' stop_ _Details . save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 2.5.7 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_BRUKER_AVANCE_600 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $Zebrafish_NIX_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $Zebrafish_NIX_2 save_ save_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $Zebrafish_NIX_2 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $Zebrafish_NIX_2 save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $Zebrafish_NIX_2 save_ save_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $Zebrafish_NIX_2 save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $Zebrafish_NIX_2 save_ save_HCCCONH_C_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH_C _Sample_label $Zebrafish_NIX_2 save_ save_HCCCONH_H_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH_H _Sample_label $Zebrafish_NIX_2 save_ save_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $Zebrafish_NIX_2 save_ save_TOSCY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name TOSCY-HSQC _Sample_label $Zebrafish_NIX_2 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCCONH_C _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCCONH C' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCCONH_H _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCCONH H' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_TOSCY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name TOSCY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_pH_6.5_PBS_buffer _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC HNCO HN(CA)CO HNCA HN(CO)CA CBCANH CBCA(CO)NH HCCCONH_C HCCCONH_H HBHA(CO)NH TOSCY-HSQC stop_ loop_ _Sample_label $Zebrafish_NIX_1 $Zebrafish_NIX_2 stop_ _Sample_conditions_label $pH_6.5_PBS_buffer _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name NIX _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 3 3 THR HA H 4.53 0.02 1 2 3 3 THR HB H 4.31 0.02 1 3 3 3 THR HG2 H 1.27 0.02 1 4 3 3 THR C C 174.6 0.05 1 5 3 3 THR CA C 61.9 0.05 1 6 3 3 THR CB C 69.9 0.05 1 7 3 3 THR CG2 C 21.6 0.05 1 8 4 4 THR H H 8.31 0.02 1 9 4 4 THR HA H 4.34 0.02 1 10 4 4 THR HB H 4.22 0.02 1 11 4 4 THR HG2 H 1.24 0.02 1 12 4 4 THR C C 174.3 0.05 1 13 4 4 THR CA C 61.9 0.05 1 14 4 4 THR CB C 69.9 0.05 1 15 4 4 THR CG2 C 21.6 0.05 1 16 4 4 THR N N 117.1 0.05 1 17 5 5 ALA H H 8.41 0.02 1 18 5 5 ALA HA H 4.26 0.02 1 19 5 5 ALA HB H 1.4 0.02 1 20 5 5 ALA C C 177.6 0.05 1 21 5 5 ALA CA C 52.6 0.05 1 22 5 5 ALA CB C 19.1 0.05 1 23 5 5 ALA N N 127 0.05 1 24 6 6 ALA H H 8.23 0.02 1 25 6 6 ALA HA H 4.32 0.02 1 26 6 6 ALA HB H 1.4 0.02 1 27 6 6 ALA C C 177.8 0.05 1 28 6 6 ALA CA C 52.7 0.05 1 29 6 6 ALA CB C 19.1 0.05 1 30 6 6 ALA N N 122.8 0.05 1 31 7 7 ALA H H 8.29 0.02 1 32 7 7 ALA HA H 4.27 0.02 1 33 7 7 ALA HB H 1.41 0.02 1 34 7 7 ALA C C 177.7 0.05 1 35 7 7 ALA CA C 52.7 0.05 1 36 7 7 ALA CB C 19.2 0.05 1 37 7 7 ALA N N 123.4 0.05 1 38 8 8 GLN H H 8.27 0.02 1 39 8 8 GLN HA H 4.31 0.02 1 40 8 8 GLN HB2 H 2.13 0.02 1 41 8 8 GLN HB3 H 2.03 0.02 1 42 8 8 GLN HG2 H 2.39 0.02 1 43 8 8 GLN HG3 H 2.39 0.02 1 44 8 8 GLN C C 175.9 0.05 1 45 8 8 GLN CA C 55.7 0.05 1 46 8 8 GLN CB C 29.4 0.05 1 47 8 8 GLN CG C 33.7 0.05 1 48 8 8 GLN N N 119.1 0.05 1 49 9 9 LEU H H 8.25 0.02 1 50 9 9 LEU HA H 4.46 0.02 1 51 9 9 LEU HB2 H 1.64 0.02 1 52 9 9 LEU HB3 H 1.64 0.02 1 53 9 9 LEU HG H 1.64 0.02 1 54 9 9 LEU HD1 H 0.92 0.02 2 55 9 9 LEU HD2 H 0.92 0.02 2 56 9 9 LEU C C 177 0.05 1 57 9 9 LEU CA C 55.5 0.05 1 58 9 9 LEU CB C 42.4 0.05 1 59 9 9 LEU CG C 26.9 0.05 1 60 9 9 LEU CD1 C 24.9 0.05 1 61 9 9 LEU CD2 C 23.3 0.05 1 62 9 9 LEU N N 123.2 0.05 1 63 10 10 ASN H H 8.47 0.02 1 64 10 10 ASN HA H 4.73 0.02 1 65 10 10 ASN HB2 H 2.86 0.02 1 66 10 10 ASN HB3 H 2.75 0.02 1 67 10 10 ASN C C 174.8 0.05 1 68 10 10 ASN CA C 53.3 0.05 1 69 10 10 ASN CB C 39 0.05 1 70 10 10 ASN N N 119.3 0.05 1 71 11 11 ASN H H 8.47 0.02 1 72 11 11 ASN HA H 4.71 0.02 1 73 11 11 ASN HB2 H 2.82 0.02 1 74 11 11 ASN HB3 H 2.82 0.02 1 75 11 11 ASN C C 175 0.05 1 76 11 11 ASN CA C 53.3 0.05 1 77 11 11 ASN CB C 39 0.05 1 78 11 11 ASN N N 119.1 0.05 1 79 12 12 ASN H H 8.49 0.02 1 80 12 12 ASN HA H 4.68 0.02 1 81 12 12 ASN HB2 H 2.79 0.02 1 82 12 12 ASN HB3 H 2.79 0.02 1 83 12 12 ASN C C 175 0.05 1 84 12 12 ASN CA C 53.3 0.05 1 85 12 12 ASN CB C 38.8 0.05 1 86 12 12 ASN N N 118.8 0.05 1 87 13 13 GLU H H 8.32 0.02 1 88 13 13 GLU HA H 4.27 0.02 1 89 13 13 GLU HB2 H 2 0.02 1 90 13 13 GLU HB3 H 2 0.02 1 91 13 13 GLU HG2 H 2.29 0.02 1 92 13 13 GLU HG3 H 2.29 0.02 1 93 13 13 GLU C C 176.1 0.05 1 94 13 13 GLU CA C 56.4 0.05 1 95 13 13 GLU CB C 30.1 0.05 1 96 13 13 GLU CG C 36.2 0.05 1 97 13 13 GLU N N 120.7 0.05 1 98 14 14 GLU H H 8.49 0.02 1 99 14 14 GLU HA H 4.25 0.02 1 100 14 14 GLU HB2 H 1.96 0.02 1 101 14 14 GLU HB3 H 1.96 0.02 1 102 14 14 GLU HG2 H 2.25 0.02 1 103 14 14 GLU HG3 H 2.25 0.02 1 104 14 14 GLU C C 176.5 0.05 1 105 14 14 GLU CA C 56.6 0.05 1 106 14 14 GLU CB C 30.4 0.05 1 107 14 14 GLU N N 122.4 0.05 1 108 15 15 PRO HA H 4.41 0.02 1 109 15 15 PRO HB2 H 2.24 0.02 1 110 15 15 PRO HB3 H 1.92 0.02 1 111 15 15 PRO HG2 H 1.92 0.02 1 112 15 15 PRO HG3 H 1.92 0.02 1 113 15 15 PRO C C 177.7 0.05 1 114 15 15 PRO CA C 63.6 0.05 1 115 15 15 PRO CB C 32.1 0.05 1 116 15 15 PRO CG C 27.3 0.05 1 117 16 16 GLY H H 8.47 0.02 1 118 16 16 GLY HA2 H 3.91 0.02 1 119 16 16 GLY HA3 H 3.91 0.02 1 120 16 16 GLY C C 174.4 0.05 1 121 16 16 GLY CA C 45.2 0.05 1 122 16 16 GLY N N 108.6 0.05 1 123 17 17 LEU H H 8.11 0.02 1 124 17 17 LEU HA H 4.38 0.02 1 125 17 17 LEU HB2 H 1.64 0.02 1 126 17 17 LEU HB3 H 1.64 0.02 1 127 17 17 LEU HG H 0.9 0.02 1 128 17 17 LEU C C 177.5 0.05 1 129 17 17 LEU CA C 55.4 0.05 1 130 17 17 LEU CB C 42.3 0.05 1 131 17 17 LEU N N 121.5 0.05 1 132 18 18 ASN H H 8.52 0.02 1 133 18 18 ASN HA H 4.7 0.02 1 134 18 18 ASN HB2 H 2.83 0.02 1 135 18 18 ASN HB3 H 2.83 0.02 1 136 18 18 ASN C C 175.7 0.05 1 137 18 18 ASN CA C 53.4 0.05 1 138 18 18 ASN CB C 38.8 0.05 1 139 18 18 ASN N N 118.9 0.05 1 140 19 19 GLY H H 8.29 0.02 1 141 19 19 GLY HA2 H 3.91 0.02 1 142 19 19 GLY HA3 H 3.91 0.02 1 143 19 19 GLY C C 174.2 0.05 1 144 19 19 GLY CA C 45.5 0.05 1 145 19 19 GLY N N 109 0.05 1 146 20 20 SER H H 8.16 0.02 1 147 20 20 SER HA H 4.42 0.02 1 148 20 20 SER HB2 H 3.83 0.02 1 149 20 20 SER HB3 H 3.83 0.02 1 150 20 20 SER C C 174.2 0.05 1 151 20 20 SER CA C 58.4 0.05 1 152 20 20 SER CB C 63.8 0.05 1 153 20 20 SER N N 115.6 0.05 1 154 21 21 TRP H H 8.19 0.02 1 155 21 21 TRP HA H 4.68 0.02 1 156 21 21 TRP HB2 H 3.32 0.02 1 157 21 21 TRP HB3 H 3.23 0.02 1 158 21 21 TRP C C 176.1 0.05 1 159 21 21 TRP CA C 57.7 0.05 1 160 21 21 TRP CB C 29.5 0.05 1 161 21 21 TRP N N 123.1 0.05 1 162 22 22 VAL H H 7.74 0.02 1 163 22 22 VAL HA H 3.97 0.02 1 164 22 22 VAL HB H 1.92 0.02 1 165 22 22 VAL HG1 H 0.83 0.02 2 166 22 22 VAL HG2 H 0.83 0.02 2 167 22 22 VAL C C 175.7 0.05 1 168 22 22 VAL CA C 62.5 0.05 1 169 22 22 VAL CB C 32.8 0.05 1 170 22 22 VAL CG1 C 20.8 0.05 1 171 22 22 VAL CG2 C 20.8 0.05 1 172 22 22 VAL N N 122 0.05 1 173 23 23 GLU H H 8.22 0.02 1 174 23 23 GLU HA H 4.12 0.02 1 175 23 23 GLU HB2 H 1.99 0.02 1 176 23 23 GLU HB3 H 1.99 0.02 1 177 23 23 GLU HG2 H 2.27 0.02 1 178 23 23 GLU HG3 H 2.27 0.02 1 179 23 23 GLU C C 176.6 0.05 1 180 23 23 GLU CA C 56.8 0.05 1 181 23 23 GLU CB C 29.9 0.05 1 182 23 23 GLU CG C 36.3 0.05 1 183 23 23 GLU N N 123.7 0.05 1 184 24 24 LEU H H 8.17 0.02 1 185 24 24 LEU HA H 4.25 0.02 1 186 24 24 LEU HB2 H 1.6 0.02 1 187 24 24 LEU HB3 H 1.6 0.02 1 188 24 24 LEU HG H 1.6 0.02 1 189 24 24 LEU C C 177.6 0.05 1 190 24 24 LEU CA C 55.5 0.05 1 191 24 24 LEU CB C 42.3 0.05 1 192 24 24 LEU N N 123 0.05 1 193 25 25 GLU HA H 4.3 0.02 1 194 25 25 GLU HB2 H 2.06 0.02 1 195 25 25 GLU HB3 H 1.93 0.02 1 196 25 25 GLU HG2 H 2.27 0.02 1 197 25 25 GLU HG3 H 2.27 0.02 1 198 25 25 GLU C C 176.3 0.05 1 199 25 25 GLU CA C 56.5 0.05 1 200 25 25 GLU CB C 30.2 0.05 1 201 25 25 GLU CG C 36.2 0.05 1 202 26 26 MET H H 8.37 0.02 1 203 26 26 MET HA H 4.62 0.02 1 204 26 26 MET HB2 H 2.04 0.02 1 205 26 26 MET HB3 H 1.94 0.02 1 206 26 26 MET C C 176.8 0.05 1 207 26 26 MET CA C 55.7 0.05 1 208 26 26 MET CB C 32.3 0.05 1 209 26 26 MET N N 121.1 0.05 1 210 27 27 ASN HA H 4.73 0.02 1 211 27 27 ASN HB2 H 2.84 0.02 1 212 27 27 ASN HB3 H 2.84 0.02 1 213 27 27 ASN C C 175.8 0.05 1 214 27 27 ASN CA C 53.5 0.05 1 215 27 27 ASN CB C 38.9 0.05 1 216 28 28 GLY H H 8.42 0.02 1 217 28 28 GLY HA2 H 3.99 0.02 1 218 28 28 GLY HA3 H 3.99 0.02 1 219 28 28 GLY C C 174.1 0.05 1 220 28 28 GLY CA C 45.6 0.05 1 221 28 28 GLY N N 109 0.05 1 222 29 29 ASN H H 8.37 0.02 1 223 29 29 ASN HA H 4.8 0.02 1 224 29 29 ASN HB2 H 2.87 0.02 1 225 29 29 ASN HB3 H 2.87 0.02 1 226 29 29 ASN C C 175.7 0.05 1 227 29 29 ASN CA C 53.3 0.05 1 228 29 29 ASN CB C 38.8 0.05 1 229 29 29 ASN N N 118.9 0.05 1 230 30 30 THR H H 8.17 0.02 1 231 30 30 THR HA H 4.32 0.02 1 232 30 30 THR HB H 4.22 0.02 1 233 30 30 THR HG2 H 1.21 0.02 1 234 30 30 THR C C 174.7 0.05 1 235 30 30 THR CA C 62.1 0.05 1 236 30 30 THR CB C 69.7 0.05 1 237 30 30 THR CG2 C 21.6 0.05 1 238 30 30 THR N N 114.2 0.05 1 239 31 31 GLN H H 8.39 0.02 1 240 31 31 GLN HA H 4.25 0.02 1 241 31 31 GLN HB2 H 2.01 0.02 1 242 31 31 GLN HB3 H 1.96 0.02 1 243 31 31 GLN HG2 H 2.27 0.02 1 244 31 31 GLN HG3 H 2.27 0.02 1 245 31 31 GLN C C 175.7 0.02 1 246 31 31 GLN CA C 55.9 0.05 1 247 31 31 GLN CB C 29.3 0.05 1 248 31 31 GLN CG C 36.3 0.05 1 249 31 31 GLN N N 122 0.05 1 250 32 32 HIS H H 8.47 0.02 1 251 32 32 HIS HA H 4.64 0.02 1 252 32 32 HIS HB2 H 3.18 0.02 1 253 32 32 HIS HB3 H 3.18 0.02 1 254 32 32 HIS C C 174.4 0.05 1 255 32 32 HIS CA C 55.4 0.05 1 256 32 32 HIS CB C 29.5 0.05 1 257 32 32 HIS N N 119.7 0.05 1 258 33 33 GLN H H 8.48 0.02 1 259 33 33 GLN HA H 4.39 0.02 1 260 33 33 GLN HB2 H 2.08 0.02 1 261 33 33 GLN HB3 H 1.98 0.02 1 262 33 33 GLN HG2 H 2.36 0.02 1 263 33 33 GLN HG3 H 2.36 0.02 1 264 33 33 GLN C C 175.6 0.05 1 265 33 33 GLN CA C 55.6 0.05 1 266 33 33 GLN CB C 29.7 0.05 1 267 33 33 GLN CG C 33.7 0.05 1 268 33 33 GLN N N 121.8 0.05 1 269 34 34 SER H H 8.56 0.02 1 270 34 34 SER HA H 4.72 0.02 1 271 34 34 SER HB2 H 3.82 0.02 1 272 34 34 SER HB3 H 3.82 0.02 1 273 34 34 SER C C 172.7 0.05 1 274 34 34 SER CA C 56.5 0.05 1 275 34 34 SER CB C 63.2 0.05 1 276 34 34 SER N N 119.2 0.05 1 277 35 35 PRO HA H 4.5 0.02 1 278 35 35 PRO HB2 H 2.01 0.02 1 279 35 35 PRO HB3 H 1.91 0.02 1 280 35 35 PRO HG2 H 2.33 0.02 1 281 35 35 PRO HG3 H 2.33 0.02 1 282 35 35 PRO C C 176.8 0.05 1 283 35 35 PRO CA C 63.3 0.05 1 284 35 35 PRO CB C 32.2 0.05 1 285 35 35 PRO CG C 27.3 0.05 1 286 36 36 SER H H 8.41 0.02 1 287 36 36 SER HA H 4.43 0.02 1 288 36 36 SER HB2 H 3.89 0.02 1 289 36 36 SER HB3 H 3.89 0.02 1 290 36 36 SER C C 174.1 0.05 1 291 36 36 SER CA C 58.1 0.05 1 292 36 36 SER CB C 64.1 0.05 1 293 36 36 SER N N 116.3 0.05 1 294 37 37 LEU H H 8.37 0.02 1 295 37 37 LEU C C 175.4 0.05 1 296 37 37 LEU CA C 53.2 0.05 1 297 37 37 LEU CB C 41.7 0.05 1 298 37 37 LEU N N 125.1 0.05 1 299 38 38 PRO HA H 4.42 0.02 1 300 38 38 PRO HB2 H 2.33 0.02 1 301 38 38 PRO HB3 H 1.92 0.02 1 302 38 38 PRO C C 177 0.05 1 303 38 38 PRO CA C 63.4 0.05 1 304 38 38 PRO CB C 32.1 0.05 1 305 38 38 PRO CG C 27.4 0.05 1 306 39 39 SER H H 8.33 0.02 1 307 39 39 SER HA H 4.42 0.02 1 308 39 39 SER HB2 H 3.88 0.02 1 309 39 39 SER HB3 H 3.88 0.02 1 310 39 39 SER C C 174.9 0.05 1 311 39 39 SER CA C 58.3 0.05 1 312 39 39 SER CB C 64 0.05 1 313 39 39 SER N N 115.3 0.05 1 314 40 40 LEU H H 8.34 0.02 1 315 40 40 LEU HA H 4.37 0.02 1 316 40 40 LEU HB2 H 1.65 0.02 1 317 40 40 LEU HB3 H 1.65 0.02 1 318 40 40 LEU HG H 1.65 0.02 1 319 40 40 LEU HD1 H 0.92 0.02 2 320 40 40 LEU HD2 H 0.92 0.02 2 321 40 40 LEU C C 177.4 0.05 1 322 40 40 LEU CA C 55.3 0.05 1 323 40 40 LEU CB C 42.2 0.05 1 324 40 40 LEU CG C 26.9 0.05 1 325 40 40 LEU CD1 C 25 0.05 1 326 40 40 LEU CD2 C 23.4 0.05 1 327 40 40 LEU N N 124.4 0.05 1 328 41 41 LEU H H 8.16 0.02 1 329 41 41 LEU HA H 4.35 0.02 1 330 41 41 LEU HB2 H 1.64 0.02 1 331 41 41 LEU HB3 H 1.64 0.02 1 332 41 41 LEU HG H 1.64 0.02 1 333 41 41 LEU HD1 H 0.94 0.02 2 334 41 41 LEU HD2 H 0.94 0.02 2 335 41 41 LEU C C 178 0.05 1 336 41 41 LEU CA C 55.2 0.05 1 337 41 41 LEU CB C 42.3 0.05 1 338 41 41 LEU CG C 27 0.05 1 339 41 41 LEU CD1 C 24.9 0.05 1 340 41 41 LEU CD2 C 23.4 0.05 1 341 41 41 LEU N N 121.7 0.05 1 342 42 42 GLY H H 8.34 0.02 1 343 42 42 GLY HA2 H 3.99 0.02 1 344 42 42 GLY HA3 H 3.99 0.02 1 345 42 42 GLY C C 174 0.05 1 346 42 42 GLY CA C 45.4 0.05 1 347 42 42 GLY N N 109.2 0.05 1 348 43 43 ASN H H 8.39 0.02 1 349 43 43 ASN HA H 4.7 0.02 1 350 43 43 ASN HB2 H 2.86 0.02 1 351 43 43 ASN HB3 H 2.86 0.02 1 352 43 43 ASN C C 175.9 0.05 1 353 43 43 ASN CA C 53.3 0.05 1 354 43 43 ASN CB C 38.8 0.05 1 355 43 43 ASN N N 118.5 0.05 1 356 44 44 GLY H H 8.53 0.02 1 357 44 44 GLY HA2 H 3.99 0.02 1 358 44 44 GLY HA3 H 3.99 0.02 1 359 44 44 GLY C C 174.3 0.05 1 360 44 44 GLY CA C 45.7 0.05 1 361 44 44 GLY N N 109.7 0.05 1 362 45 45 ASN H H 8.37 0.02 1 363 45 45 ASN HA H 4.77 0.02 1 364 45 45 ASN HB2 H 2.84 0.02 1 365 45 45 ASN HB3 H 2.84 0.02 1 366 45 45 ASN C C 175.7 0.05 1 367 45 45 ASN CA C 53.3 0.05 1 368 45 45 ASN CB C 38.8 0.05 1 369 45 45 ASN N N 118.9 0.05 1 370 46 46 GLN H H 8.52 0.02 1 371 46 46 GLN HA H 4.35 0.02 1 372 46 46 GLN HB2 H 2.2 0.02 1 373 46 46 GLN HB3 H 2.02 0.02 1 374 46 46 GLN HG2 H 2.4 0.02 1 375 46 46 GLN HG3 H 2.4 0.02 1 376 46 46 GLN C C 176.4 0.05 1 377 46 46 GLN CA C 56.1 0.05 1 378 46 46 GLN CB C 29.2 0.05 1 379 46 46 GLN CG C 33.7 0.05 1 380 46 46 GLN N N 120.5 0.05 1 381 47 47 GLY H H 8.43 0.02 1 382 47 47 GLY HA2 H 3.96 0.02 1 383 47 47 GLY HA3 H 3.96 0.02 1 384 47 47 GLY C C 173.7 0.05 1 385 47 47 GLY CA C 44.9 0.05 1 386 47 47 GLY N N 109.7 0.05 1 387 48 48 GLU H H 8.28 0.02 1 388 48 48 GLU HA H 4.58 0.02 1 389 48 48 GLU HB2 H 1.91 0.02 1 390 48 48 GLU HB3 H 1.91 0.02 1 391 48 48 GLU HG2 H 2.27 0.02 1 392 48 48 GLU HG3 H 2.27 0.02 1 393 48 48 GLU C C 174.8 0.05 1 394 48 48 GLU CA C 54.3 0.05 1 395 48 48 GLU CB C 29.5 0.05 1 396 48 48 GLU N N 121.7 0.05 1 397 49 49 PRO HA H 4.43 0.02 1 398 49 49 PRO HB2 H 2.31 0.02 1 399 49 49 PRO HB3 H 1.93 0.02 1 400 49 49 PRO HG2 H 2.03 0.02 1 401 49 49 PRO HG3 H 2.03 0.02 1 402 49 49 PRO HD2 H 3.76 0.02 1 403 49 49 PRO HD3 H 3.76 0.02 1 404 49 49 PRO C C 177.1 0.05 1 405 49 49 PRO CA C 63.3 0.05 1 406 49 49 PRO CB C 32.1 0.05 1 407 49 49 PRO CG C 27.5 0.05 1 408 50 50 GLN H H 8.57 0.02 1 409 50 50 GLN HA H 4.33 0.02 1 410 50 50 GLN HB2 H 2.12 0.02 1 411 50 50 GLN HB3 H 2 0.02 1 412 50 50 GLN HG2 H 2.43 0.02 1 413 50 50 GLN HG3 H 2.43 0.02 1 414 50 50 GLN C C 176 0.05 1 415 50 50 GLN CA C 55.6 0.05 1 416 50 50 GLN CB C 29.5 0.05 1 417 50 50 GLN CG C 33.7 0.05 1 418 50 50 GLN N N 120.7 0.05 1 419 51 51 ALA H H 8.46 0.02 1 420 51 51 ALA HA H 4.34 0.02 1 421 51 51 ALA HB H 1.41 0.02 1 422 51 51 ALA C C 178 0.05 1 423 51 51 ALA CA C 52.6 0.05 1 424 51 51 ALA CB C 19 0.05 1 425 51 51 ALA N N 125.8 0.05 1 426 52 52 SER H H 8.37 0.02 1 427 52 52 SER HA H 4.4 0.02 1 428 52 52 SER HB2 H 3.89 0.02 1 429 52 52 SER HB3 H 3.89 0.02 1 430 52 52 SER C C 174.7 0.05 1 431 52 52 SER CA C 58.5 0.05 1 432 52 52 SER CB C 63.9 0.05 1 433 52 52 SER N N 115.1 0.05 1 434 53 53 GLN H H 8.41 0.02 1 435 53 53 GLN HA H 4.35 0.02 1 436 53 53 GLN HB2 H 2.15 0.02 1 437 53 53 GLN HB3 H 2 0.02 1 438 53 53 GLN HG2 H 2.38 0.02 1 439 53 53 GLN HG3 H 2.38 0.02 1 440 53 53 GLN C C 175.7 0.05 1 441 53 53 GLN CA C 55.8 0.05 1 442 53 53 GLN CB C 29.4 0.05 1 443 53 53 GLN CG C 33.7 0.05 1 444 53 53 GLN N N 122.4 0.05 1 445 54 54 ALA H H 8.31 0.02 1 446 54 54 ALA HA H 4.32 0.02 1 447 54 54 ALA HB H 1.4 0.02 1 448 54 54 ALA C C 177.7 0.05 1 449 54 54 ALA CA C 52.5 0.05 1 450 54 54 ALA CB C 19.1 0.05 1 451 54 54 ALA N N 125.3 0.05 1 452 55 55 LEU H H 8.23 0.02 1 453 55 55 LEU HA H 4.34 0.02 1 454 55 55 LEU HB2 H 1.62 0.02 1 455 55 55 LEU HB3 H 1.62 0.02 1 456 55 55 LEU HG H 1.62 0.02 1 457 55 55 LEU HD1 H 0.92 0.02 2 458 55 55 LEU HD2 H 0.92 0.02 2 459 55 55 LEU C C 177.6 0.05 1 460 55 55 LEU CA C 55.2 0.05 1 461 55 55 LEU CB C 42.3 0.05 1 462 55 55 LEU CG C 26.9 0.05 1 463 55 55 LEU CD1 C 25.1 0.05 1 464 55 55 LEU CD2 C 23.5 0.05 1 465 55 55 LEU N N 121.6 0.05 1 466 56 56 GLU H H 8.5 0.02 1 467 56 56 GLU HA H 4.28 0.02 1 468 56 56 GLU HB2 H 2.04 0.02 1 469 56 56 GLU HB3 H 1.95 0.02 1 470 56 56 GLU HG2 H 2.29 0.02 1 471 56 56 GLU HG3 H 2.29 0.02 1 472 56 56 GLU C C 176.2 0.05 1 473 56 56 GLU CA C 56.6 0.05 1 474 56 56 GLU CB C 30.2 0.05 1 475 56 56 GLU CG C 36.2 0.05 1 476 56 56 GLU N N 120.9 0.05 1 477 57 57 ALA H H 8.28 0.02 1 478 57 57 ALA HA H 4.36 0.02 1 479 57 57 ALA HB H 1.38 0.02 1 480 57 57 ALA C C 177.6 0.05 1 481 57 57 ALA CA C 52.3 0.05 1 482 57 57 ALA CB C 19.1 0.05 1 483 57 57 ALA N N 125.3 0.05 1 484 58 58 VAL H H 8.17 0.02 1 485 58 58 VAL HA H 4.1 0.02 1 486 58 58 VAL HB H 2.08 0.02 1 487 58 58 VAL HG1 H 0.96 0.02 2 488 58 58 VAL HG2 H 0.96 0.02 2 489 58 58 VAL C C 176.2 0.05 1 490 58 58 VAL CA C 62.2 0.05 1 491 58 58 VAL CB C 32.7 0.05 1 492 58 58 VAL CG1 C 21 0.05 1 493 58 58 VAL N N 120.2 0.05 1 494 59 59 GLN H H 8.53 0.02 1 495 59 59 GLN HA H 4.38 0.02 1 496 59 59 GLN HB2 H 2.08 0.02 1 497 59 59 GLN HB3 H 2.01 0.02 1 498 59 59 GLN HG2 H 2.38 0.02 1 499 59 59 GLN HG3 H 2.38 0.02 1 500 59 59 GLN C C 175.8 0.05 1 501 59 59 GLN CA C 55.6 0.05 1 502 59 59 GLN CB C 29.5 0.05 1 503 59 59 GLN CG C 33.7 0.05 1 504 59 59 GLN N N 124.8 0.05 1 505 60 60 GLU H H 8.57 0.02 1 506 60 60 GLU HA H 4.27 0.02 1 507 60 60 GLU HB2 H 2 0.02 1 508 60 60 GLU HB3 H 2 0.02 1 509 60 60 GLU HG2 H 2.29 0.02 1 510 60 60 GLU HG3 H 2.29 0.02 1 511 60 60 GLU C C 176.4 0.05 1 512 60 60 GLU CA C 56.6 0.05 1 513 60 60 GLU CB C 30.4 0.05 1 514 60 60 GLU CG C 36.2 0.05 1 515 60 60 GLU N N 123.3 0.05 1 516 61 61 GLU H H 8.49 0.02 1 517 61 61 GLU HA H 4.31 0.02 1 518 61 61 GLU HB2 H 2.09 0.02 1 519 61 61 GLU HB3 H 1.97 0.02 1 520 61 61 GLU HG2 H 2.28 0.02 1 521 61 61 GLU HG3 H 2.28 0.02 1 522 61 61 GLU C C 176.5 0.05 1 523 61 61 GLU CA C 56.6 0.05 1 524 61 61 GLU CB C 30.4 0.05 1 525 61 61 GLU CG C 36.2 0.05 1 526 61 61 GLU N N 122.4 0.05 1 527 62 62 GLU H H 8.54 0.02 1 528 62 62 GLU HA H 4.25 0.02 1 529 62 62 GLU HB2 H 2.01 0.02 1 530 62 62 GLU HB3 H 2.01 0.02 1 531 62 62 GLU HG2 H 2.28 0.02 1 532 62 62 GLU HG3 H 2.28 0.02 1 533 62 62 GLU C C 176.5 0.05 1 534 62 62 GLU CA C 56.5 0.05 1 535 62 62 GLU CB C 30.5 0.05 1 536 62 62 GLU CG C 36.2 0.05 1 537 62 62 GLU N N 122.1 0.05 1 538 63 63 GLU H H 8.51 0.02 1 539 63 63 GLU HA H 4.29 0.02 1 540 63 63 GLU HB2 H 2 0.02 1 541 63 63 GLU HB3 H 2 0.02 1 542 63 63 GLU HG2 H 2.26 0.02 1 543 63 63 GLU HG3 H 2.26 0.02 1 544 63 63 GLU C C 176.4 0.05 1 545 63 63 GLU CA C 56.6 0.05 1 546 63 63 GLU CB C 30.3 0.05 1 547 63 63 GLU CG C 36.3 0.05 1 548 63 63 GLU N N 122.8 0.05 1 549 64 64 VAL H H 8.3 0.02 1 550 64 64 VAL HA H 4.09 0.02 1 551 64 64 VAL HB H 2.08 0.02 1 552 64 64 VAL HG1 H 0.94 0.02 2 553 64 64 VAL HG2 H 0.94 0.02 2 554 64 64 VAL C C 176.3 0.05 1 555 64 64 VAL CA C 62.5 0.05 1 556 64 64 VAL CB C 32.5 0.05 1 557 64 64 VAL CG1 C 21 0.05 1 558 64 64 VAL CG2 C 21 0.05 1 559 64 64 VAL N N 122.6 0.05 1 560 65 65 LEU H H 8.48 0.02 1 561 65 65 LEU HA H 4.49 0.02 1 562 65 65 LEU HB2 H 1.7 0.02 1 563 65 65 LEU HB3 H 1.7 0.02 1 564 65 65 LEU HG H 1.61 0.02 1 565 65 65 LEU HD1 H 0.93 0.02 2 566 65 65 LEU HD2 H 0.93 0.02 2 567 65 65 LEU C C 177.7 0.05 1 568 65 65 LEU CA C 55.1 0.05 1 569 65 65 LEU CB C 42.1 0.05 1 570 65 65 LEU CG C 26.8 0.05 1 571 65 65 LEU CD1 C 25 0.05 1 572 65 65 LEU CD2 C 23.3 0.05 1 573 65 65 LEU N N 126.3 0.05 1 574 66 66 THR H H 8.18 0.02 1 575 66 66 THR HA H 4.37 0.02 1 576 66 66 THR HB H 4.36 0.02 1 577 66 66 THR HG2 H 1.23 0.02 1 578 66 66 THR C C 175.3 0.05 1 579 66 66 THR CA C 61.9 0.05 1 580 66 66 THR CB C 69.8 0.05 1 581 66 66 THR CG2 C 21.6 0.05 1 582 66 66 THR N N 114.4 0.05 1 583 67 67 GLY H H 8.47 0.02 1 584 67 67 GLY HA2 H 4 0.02 1 585 67 67 GLY HA3 H 4 0.02 1 586 67 67 GLY C C 174.5 0.05 1 587 67 67 GLY CA C 45.5 0.05 1 588 67 67 GLY N N 111.1 0.05 1 589 68 68 GLY H H 8.37 0.02 1 590 68 68 GLY HA2 H 3.98 0.02 1 591 68 68 GLY HA3 H 3.98 0.02 1 592 68 68 GLY C C 174.3 0.05 1 593 68 68 GLY CA C 45.2 0.05 1 594 68 68 GLY N N 108.8 0.05 1 595 69 69 LEU H H 8.15 0.02 1 596 69 69 LEU HA H 4.32 0.02 1 597 69 69 LEU HB2 H 1.66 0.02 1 598 69 69 LEU HB3 H 1.66 0.02 1 599 69 69 LEU HG H 1.65 0.02 1 600 69 69 LEU HD1 H 0.93 0.02 2 601 69 69 LEU HD2 H 0.93 0.02 2 602 69 69 LEU C C 177.7 0.05 1 603 69 69 LEU CA C 55.1 0.05 1 604 69 69 LEU CB C 42.5 0.05 1 605 69 69 LEU CG C 27.2 0.05 1 606 69 69 LEU CD1 C 24.9 0.05 1 607 69 69 LEU CD2 C 24.9 0.05 1 608 69 69 LEU N N 121.3 0.05 1 609 70 70 GLU H H 8.35 0.02 1 610 70 70 GLU HA H 4.29 0.02 1 611 70 70 GLU HB2 H 1.98 0.02 1 612 70 70 GLU HB3 H 1.98 0.02 1 613 70 70 GLU HG2 H 2.28 0.02 1 614 70 70 GLU HG3 H 2.28 0.02 1 615 70 70 GLU C C 176.1 0.05 1 616 70 70 GLU CA C 56.4 0.05 1 617 70 70 GLU CB C 29.9 0.05 1 618 70 70 GLU CG C 36.3 0.05 1 619 70 70 GLU N N 121.5 0.05 1 620 71 71 HIS H H 8.4 0.02 1 621 71 71 HIS C C 174.2 0.05 1 622 71 71 HIS CA C 53.1 0.05 1 623 71 71 HIS CB C 32.4 0.05 1 624 71 71 HIS N N 122.9 0.05 1 625 73 73 PRO HA H 4.47 0.02 1 626 73 73 PRO HB2 H 1.95 0.02 1 627 73 73 PRO HB3 H 1.95 0.02 1 628 73 73 PRO HG2 H 2.36 0.02 1 629 73 73 PRO HG3 H 2.36 0.02 1 630 73 73 PRO C C 177 0.05 1 631 73 73 PRO CA C 63.2 0.05 1 632 73 73 PRO CB C 32.2 0.05 1 633 73 73 PRO CG C 27.4 0.05 1 634 74 74 SER H H 8.56 0.02 1 635 74 74 SER HA H 4.5 0.02 1 636 74 74 SER HB2 H 3.94 0.02 1 637 74 74 SER HB3 H 3.94 0.02 1 638 74 74 SER C C 175 0.05 1 639 74 74 SER CA C 58.4 0.05 1 640 74 74 SER CB C 64 0.05 1 641 74 74 SER N N 116.6 0.05 1 642 75 75 SER H H 8.39 0.02 1 643 75 75 SER HA H 4.54 0.02 1 644 75 75 SER HB2 H 3.93 0.02 1 645 75 75 SER HB3 H 3.93 0.02 1 646 75 75 SER C C 174.7 0.05 1 647 75 75 SER CA C 58.4 0.05 1 648 75 75 SER CB C 63.9 0.05 1 649 75 75 SER N N 117.5 0.05 1 650 76 76 SER H H 8.46 0.02 1 651 76 76 SER HA H 4.53 0.02 1 652 76 76 SER HB2 H 3.9 0.02 1 653 76 76 SER HB3 H 3.9 0.02 1 654 76 76 SER C C 174.7 0.05 1 655 76 76 SER CA C 58.5 0.05 1 656 76 76 SER CB C 63.8 0.05 1 657 76 76 SER N N 117.9 0.05 1 658 77 77 SER H H 8.32 0.02 1 659 77 77 SER HA H 4.51 0.02 1 660 77 77 SER HB2 H 3.86 0.02 1 661 77 77 SER HB3 H 3.86 0.02 1 662 77 77 SER C C 174.5 0.05 1 663 77 77 SER CA C 58.5 0.05 1 664 77 77 SER CB C 63.9 0.05 1 665 77 77 SER N N 117.8 0.05 1 666 78 78 ILE H H 8.02 0.02 1 667 78 78 ILE HA H 4.11 0.02 1 668 78 78 ILE HB H 1.79 0.02 1 669 78 78 ILE HG12 H 0.8 0.02 1 670 78 78 ILE HG13 H 0.8 0.02 1 671 78 78 ILE C C 176.1 0.05 1 672 78 78 ILE CA C 61.4 0.05 1 673 78 78 ILE CB C 38.4 0.05 1 674 78 78 ILE CG1 C 27.2 0.05 1 675 78 78 ILE CG2 C 17.5 0.05 1 676 78 78 ILE CD1 C 13 0.05 1 677 78 78 ILE N N 121.8 0.05 1 678 79 79 HIS H H 8.53 0.02 1 679 79 79 HIS HA H 4.75 0.02 1 680 79 79 HIS HB2 H 3.27 0.02 1 681 79 79 HIS HB3 H 3.13 0.02 1 682 79 79 HIS C C 174.4 0.05 1 683 79 79 HIS CA C 55.3 0.05 1 684 79 79 HIS CB C 29.5 0.05 1 685 79 79 HIS N N 122.6 0.05 1 686 80 80 ASN H H 8.47 0.02 1 687 80 80 ASN HA H 4.77 0.02 1 688 80 80 ASN HB2 H 2.84 0.02 1 689 80 80 ASN HB3 H 2.84 0.02 1 690 80 80 ASN C C 175.8 0.05 1 691 80 80 ASN CA C 53.5 0.05 1 692 80 80 ASN CB C 38.9 0.05 1 693 80 80 ASN N N 120.8 0.05 1 694 81 81 GLY H H 8.51 0.02 1 695 81 81 GLY HA2 H 3.92 0.02 1 696 81 81 GLY HA3 H 3.92 0.02 1 697 81 81 GLY C C 174.1 0.05 1 698 81 81 GLY CA C 45.5 0.05 1 699 81 81 GLY N N 109.2 0.05 1 700 82 82 ASP H H 8.3 0.02 1 701 82 82 ASP HA H 4.62 0.02 1 702 82 82 ASP HB2 H 2.75 0.02 1 703 82 82 ASP HB3 H 2.75 0.02 1 704 82 82 ASP C C 176.9 0.05 1 705 82 82 ASP CA C 54.9 0.05 1 706 82 82 ASP CB C 40.8 0.05 1 707 82 82 ASP N N 120.5 0.05 1 708 83 83 MET H H 8.33 0.02 1 709 83 83 MET HA H 4.42 0.02 1 710 83 83 MET HB2 H 2.1 0.02 1 711 83 83 MET HB3 H 2.1 0.02 1 712 83 83 MET HG2 H 2.64 0.02 1 713 83 83 MET HG3 H 2.64 0.02 1 714 83 83 MET C C 176.9 0.05 1 715 83 83 MET CA C 54.9 0.05 1 716 83 83 MET CB C 32.4 0.05 1 717 83 83 MET N N 120.2 0.05 1 718 84 84 GLU H H 8.36 0.02 1 719 84 84 GLU HA H 4.18 0.02 1 720 84 84 GLU HB2 H 2.05 0.02 1 721 84 84 GLU HB3 H 2.05 0.02 1 722 84 84 GLU HG2 H 2.31 0.02 1 723 84 84 GLU HG3 H 2.31 0.02 1 724 84 84 GLU C C 176.9 0.05 1 725 84 84 GLU CA C 57.6 0.05 1 726 84 84 GLU CB C 30.3 0.05 1 727 84 84 GLU CG C 36.3 0.05 1 728 84 84 GLU N N 120.7 0.05 1 729 85 85 LYS H H 8.09 0.02 1 730 85 85 LYS HA H 4.25 0.02 1 731 85 85 LYS HB2 H 1.84 0.02 1 732 85 85 LYS HB3 H 1.84 0.02 1 733 85 85 LYS HG2 H 1.45 0.02 1 734 85 85 LYS HG3 H 1.45 0.02 1 735 85 85 LYS C C 176.8 0.05 1 736 85 85 LYS CA C 57 0.05 1 737 85 85 LYS CB C 32.9 0.05 1 738 85 85 LYS CG C 25 0.05 1 739 85 85 LYS N N 121.3 0.05 1 740 86 86 ILE H H 8.01 0.02 1 741 86 86 ILE HA H 4.07 0.02 1 742 86 86 ILE HB H 1.89 0.02 1 743 86 86 ILE HG12 H 1.19 0.02 1 744 86 86 ILE HG13 H 1.19 0.02 1 745 86 86 ILE HG2 H 0.91 0.02 1 746 86 86 ILE C C 176.8 0.05 1 747 86 86 ILE CA C 62 0.05 1 748 86 86 ILE CB C 38.4 0.05 1 749 86 86 ILE CG1 C 27.8 0.05 1 750 86 86 ILE CG2 C 17.4 0.05 1 751 86 86 ILE N N 121.4 0.05 1 752 87 87 LEU H H 8.2 0.02 1 753 87 87 LEU HA H 4.34 0.02 1 754 87 87 LEU HB2 H 1.65 0.02 1 755 87 87 LEU HB3 H 1.65 0.02 1 756 87 87 LEU HG H 1.62 0.02 1 757 87 87 LEU HD1 H 0.9 0.02 2 758 87 87 LEU HD2 H 0.9 0.02 2 759 87 87 LEU C C 177.6 0.05 1 760 87 87 LEU CA C 55.4 0.05 1 761 87 87 LEU CB C 42 0.05 1 762 87 87 LEU N N 124.9 0.05 1 763 88 88 LEU H H 8.15 0.02 1 764 88 88 LEU HA H 4.32 0.02 1 765 88 88 LEU HB2 H 1.62 0.02 1 766 88 88 LEU HB3 H 1.62 0.02 1 767 88 88 LEU HG H 1.62 0.02 1 768 88 88 LEU HD1 H 0.89 0.02 2 769 88 88 LEU HD2 H 0.89 0.02 2 770 88 88 LEU C C 177.6 0.05 1 771 88 88 LEU CA C 55.6 0.05 1 772 88 88 LEU CB C 42.3 0.05 1 773 88 88 LEU N N 122.8 0.05 1 774 89 89 ASP H H 8.32 0.02 1 775 89 89 ASP HA H 4.55 0.02 1 776 89 89 ASP HB2 H 2.69 0.02 1 777 89 89 ASP HB3 H 2.69 0.02 1 778 89 89 ASP C C 176.5 0.05 1 779 89 89 ASP CA C 54.7 0.05 1 780 89 89 ASP CB C 40.9 0.05 1 781 89 89 ASP N N 120.7 0.05 1 782 90 90 ALA H H 8.12 0.02 1 783 90 90 ALA HA H 4.28 0.02 1 784 90 90 ALA HB H 1.42 0.02 1 785 90 90 ALA C C 178.2 0.05 1 786 90 90 ALA CA C 53 0.05 1 787 90 90 ALA CB C 19.1 0.05 1 788 90 90 ALA N N 123.5 0.05 1 789 91 91 GLN H H 8.21 0.02 1 790 91 91 GLN HA H 4.28 0.02 1 791 91 91 GLN HB2 H 2.05 0.02 1 792 91 91 GLN HB3 H 2.05 0.02 1 793 91 91 GLN HG2 H 2.37 0.02 1 794 91 91 GLN HG3 H 2.37 0.02 1 795 91 91 GLN C C 176.1 0.05 1 796 91 91 GLN CA C 56.1 0.05 1 797 91 91 GLN CB C 29.1 0.05 1 798 91 91 GLN CG C 33.9 0.05 1 799 91 91 GLN N N 118 0.05 1 800 92 92 HIS H H 8.3 0.02 1 801 92 92 HIS HA H 4.7 0.02 1 802 92 92 HIS HB2 H 3.29 0.02 1 803 92 92 HIS HB3 H 3.17 0.02 1 804 92 92 HIS C C 174.6 0.05 1 805 92 92 HIS CA C 55.7 0.05 1 806 92 92 HIS CB C 29.3 0.05 1 807 92 92 HIS N N 118.9 0.05 1 808 93 93 GLU H H 8.46 0.02 1 809 93 93 GLU HA H 4.31 0.02 1 810 93 93 GLU HB2 H 1.96 0.02 1 811 93 93 GLU HB3 H 1.96 0.02 1 812 93 93 GLU HG2 H 2.29 0.02 1 813 93 93 GLU HG3 H 2.29 0.02 1 814 93 93 GLU C C 176.4 0.05 1 815 93 93 GLU CA C 56.6 0.05 1 816 93 93 GLU CB C 30.5 0.05 1 817 93 93 GLU N N 122.2 0.05 1 818 94 94 SER H H 8.48 0.02 1 819 94 94 SER HA H 4.51 0.02 1 820 94 94 SER HB2 H 3.93 0.02 1 821 94 94 SER HB3 H 3.93 0.02 1 822 94 94 SER C C 174.8 0.05 1 823 94 94 SER CA C 58.6 0.05 1 824 94 94 SER CB C 63.7 0.05 1 825 94 94 SER N N 117.3 0.05 1 826 95 95 SER H H 8.39 0.02 1 827 95 95 SER HA H 4.51 0.02 1 828 95 95 SER HB2 H 3.89 0.02 1 829 95 95 SER HB3 H 3.89 0.02 1 830 95 95 SER C C 173.3 0.05 1 831 95 95 SER CA C 58.5 0.05 1 832 95 95 SER CB C 63.9 0.05 1 833 95 95 SER N N 117.5 0.05 1 834 96 96 PRO HA H 4.48 0.02 1 835 96 96 PRO HB2 H 2.35 0.02 1 836 96 96 PRO HB3 H 2 0.02 1 837 96 96 PRO HG2 H 2 0.02 1 838 96 96 PRO HG3 H 2 0.02 1 839 96 96 PRO C C 177.2 0.05 1 840 96 96 PRO CA C 63.4 0.05 1 841 96 96 PRO CB C 32.1 0.05 1 842 96 96 PRO CG C 27.3 0.05 1 843 97 97 SER H H 8.49 0.02 1 844 97 97 SER HA H 4.54 0.02 1 845 97 97 SER HB2 H 3.93 0.02 1 846 97 97 SER HB3 H 3.93 0.02 1 847 97 97 SER C C 174.9 0.05 1 848 97 97 SER CA C 58.4 0.05 1 849 97 97 SER CB C 64 0.05 1 850 97 97 SER N N 116.1 0.05 1 851 98 98 SER H H 8.46 0.02 1 852 98 98 SER HA H 4.49 0.02 1 853 98 98 SER HB2 H 3.96 0.02 1 854 98 98 SER HB3 H 3.96 0.02 1 855 98 98 SER C C 174.7 0.05 1 856 98 98 SER CA C 58.5 0.05 1 857 98 98 SER CB C 63.8 0.05 1 858 98 98 SER N N 117.9 0.05 1 859 99 99 SER H H 8.49 0.02 1 860 99 99 SER HA H 4.49 0.02 1 861 99 99 SER HB2 H 3.96 0.02 1 862 99 99 SER HB3 H 3.96 0.02 1 863 99 99 SER C C 174.8 0.05 1 864 99 99 SER CA C 58.6 0.05 1 865 99 99 SER CB C 63.9 0.05 1 866 99 99 SER N N 117.9 0.05 1 867 100 100 SER H H 8.49 0.02 1 868 100 100 SER HA H 4.49 0.02 1 869 100 100 SER HB2 H 3.96 0.02 1 870 100 100 SER HB3 H 3.96 0.02 1 871 100 100 SER C C 174.8 0.05 1 872 100 100 SER CA C 58.6 0.05 1 873 100 100 SER CB C 63.9 0.05 1 874 100 100 SER N N 117.9 0.05 1 875 101 101 CYS HA H 4.72 0.02 1 876 101 101 CYS HB2 H 3.24 0.02 1 877 101 101 CYS HB3 H 3.05 0.02 1 878 101 101 CYS C C 174.3 0.05 1 879 101 101 CYS CA C 55.7 0.05 1 880 101 101 CYS CB C 40.9 0.05 1 881 102 102 ASN H H 8.59 0.02 1 882 102 102 ASN HA H 4.82 0.02 1 883 102 102 ASN HB2 H 2.81 0.02 1 884 102 102 ASN HB3 H 2.81 0.02 1 885 102 102 ASN C C 174.7 0.05 1 886 102 102 ASN CA C 53.3 0.05 1 887 102 102 ASN CB C 39.1 0.05 1 888 102 102 ASN N N 120.5 0.05 1 889 103 103 SER H H 8.22 0.02 1 890 103 103 SER HA H 4.72 0.02 1 891 103 103 SER HB2 H 3.75 0.02 1 892 103 103 SER HB3 H 3.75 0.02 1 893 103 103 SER CA C 56.5 0.05 1 894 103 103 SER CB C 63.2 0.05 1 895 103 103 SER N N 117.5 0.05 1 896 105 105 PRO HA H 4.44 0.02 1 897 105 105 PRO HB2 H 2.28 0.02 1 898 105 105 PRO HB3 H 2 0.02 1 899 105 105 PRO HG2 H 2 0.02 1 900 105 105 PRO HG3 H 2 0.02 1 901 105 105 PRO C C 176.6 0.05 1 902 105 105 PRO CA C 62.8 0.05 1 903 105 105 PRO CB C 32 0.05 1 904 105 105 PRO CG C 27.5 0.05 1 905 106 106 ARG H H 8.47 0.02 1 906 106 106 ARG HA H 4.56 0.02 1 907 106 106 ARG HB2 H 1.92 0.02 1 908 106 106 ARG HB3 H 1.92 0.02 1 909 106 106 ARG HG2 H 1.69 0.02 1 910 106 106 ARG HG3 H 1.69 0.02 1 911 106 106 ARG C C 176.4 0.05 1 912 106 106 ARG CA C 53.7 0.05 1 913 106 106 ARG CB C 30.4 0.05 1 914 106 106 ARG N N 122.5 0.05 1 915 107 107 PRO HA H 4.41 0.02 1 916 107 107 PRO HB2 H 2.28 0.02 1 917 107 107 PRO HB3 H 2.03 0.02 1 918 107 107 PRO HG2 H 2.03 0.02 1 919 107 107 PRO HG3 H 2.03 0.02 1 920 107 107 PRO C C 176.6 0.05 1 921 107 107 PRO CA C 62.9 0.05 1 922 107 107 PRO CB C 32.2 0.05 1 923 107 107 PRO CG C 27.3 0.05 1 924 108 108 HIS H H 8.63 0.02 1 925 108 108 HIS HA H 4.66 0.02 1 926 108 108 HIS HB2 H 3.15 0.02 1 927 108 108 HIS HB3 H 3.15 0.02 1 928 108 108 HIS C C 174.4 0.05 1 929 108 108 HIS CA C 55.4 0.05 1 930 108 108 HIS CB C 29.5 0.05 1 931 108 108 HIS N N 119.2 0.05 1 932 109 109 SER H H 8.47 0.02 1 933 109 109 SER HA H 4.77 0.02 1 934 109 109 SER HB2 H 3.84 0.02 1 935 109 109 SER HB3 H 3.84 0.02 1 936 109 109 SER C C 175 0.05 1 937 109 109 SER CA C 56.5 0.05 1 938 109 109 SER CB C 63.4 0.05 1 939 109 109 SER N N 119.3 0.05 1 940 110 110 PRO HA H 4.46 0.02 1 941 110 110 PRO HB2 H 2.32 0.02 1 942 110 110 PRO HB3 H 2.02 0.02 1 943 110 110 PRO HG2 H 2.02 0.02 1 944 110 110 PRO HG3 H 2.02 0.02 1 945 110 110 PRO C C 176.7 0.05 1 946 110 110 PRO CA C 63.9 0.05 1 947 110 110 PRO CB C 32 0.05 1 948 111 111 ASP H H 8.31 0.02 1 949 111 111 ASP HA H 4.65 0.02 1 950 111 111 ASP HB2 H 2.72 0.02 1 951 111 111 ASP HB3 H 2.72 0.02 1 952 111 111 ASP C C 176.8 0.05 1 953 111 111 ASP CA C 54.5 0.05 1 954 111 111 ASP CB C 40.8 0.05 1 955 111 111 ASP N N 118.3 0.05 1 956 112 112 GLN H H 8.48 0.02 1 957 112 112 GLN HA H 4.23 0.02 1 958 112 112 GLN HB2 H 1.98 0.02 1 959 112 112 GLN HB3 H 1.98 0.02 1 960 112 112 GLN HG2 H 2.24 0.02 1 961 112 112 GLN HG3 H 2.24 0.02 1 962 112 112 GLN C C 177.2 0.05 1 963 112 112 GLN CA C 57.1 0.05 1 964 112 112 GLN CB C 29.8 0.05 1 965 112 112 GLN N N 121.7 0.05 1 966 113 113 ASP HA H 4.65 0.02 1 967 113 113 ASP HB2 H 2.72 0.02 1 968 113 113 ASP HB3 H 2.72 0.02 1 969 113 113 ASP C C 176.6 0.05 1 970 113 113 ASP CA C 54.4 0.05 1 971 113 113 ASP CB C 41.1 0.05 1 972 114 114 GLU H H 8.48 0.02 1 973 114 114 GLU HA H 4.26 0.02 1 974 114 114 GLU HB2 H 2.13 0.02 1 975 114 114 GLU HB3 H 2.02 0.02 1 976 114 114 GLU HG2 H 2.33 0.02 1 977 114 114 GLU HG3 H 2.33 0.02 1 978 114 114 GLU C C 177.2 0.05 1 979 114 114 GLU CA C 57.1 0.05 1 980 114 114 GLU CB C 29.8 0.05 1 981 114 114 GLU CG C 36.3 0.05 1 982 114 114 GLU N N 121.7 0.05 1 983 115 115 GLY H H 8.53 0.02 1 984 115 115 GLY HA2 H 3.95 0.02 1 985 115 115 GLY HA3 H 3.95 0.02 1 986 115 115 GLY C C 174.1 0.05 1 987 115 115 GLY CA C 45.5 0.05 1 988 115 115 GLY N N 109.3 0.05 1 989 116 116 GLN H H 8.13 0.02 1 990 116 116 GLN HA H 4.34 0.02 1 991 116 116 GLN HB2 H 2.09 0.02 1 992 116 116 GLN HB3 H 2.02 0.02 1 993 116 116 GLN HG2 H 2.32 0.02 1 994 116 116 GLN HG3 H 2.32 0.02 1 995 116 116 GLN C C 175.8 0.05 1 996 116 116 GLN CA C 55.8 0.05 1 997 116 116 GLN CB C 29.4 0.05 1 998 116 116 GLN CG C 33.6 0.05 1 999 116 116 GLN N N 119.2 0.05 1 1000 117 117 ILE H H 8.16 0.02 1 1001 117 117 ILE HA H 4.12 0.02 1 1002 117 117 ILE HB H 1.8 0.02 1 1003 117 117 ILE HG12 H 1.46 0.02 1 1004 117 117 ILE HG13 H 1.14 0.02 1 1005 117 117 ILE HG2 H 0.78 0.02 1 1006 117 117 ILE HD1 H 0.78 0.02 1 1007 117 117 ILE C C 176 0.05 1 1008 117 117 ILE CA C 61.3 0.05 1 1009 117 117 ILE CB C 38.4 0.05 1 1010 117 117 ILE CG1 C 27.3 0.05 1 1011 117 117 ILE CG2 C 17.5 0.05 1 1012 117 117 ILE N N 122.1 0.05 1 1013 118 118 MET H H 8.35 0.02 1 1014 118 118 MET HA H 4.49 0.02 1 1015 118 118 MET HB2 H 1.91 0.02 1 1016 118 118 MET HB3 H 1.91 0.02 1 1017 118 118 MET HG2 H 2.48 0.02 1 1018 118 118 MET HG3 H 2.48 0.02 1 1019 118 118 MET C C 175.6 0.05 1 1020 118 118 MET CA C 55 0.05 1 1021 118 118 MET CB C 32.9 0.05 1 1022 118 118 MET N N 124 0.05 1 1023 119 119 PHE H H 8.19 0.02 1 1024 119 119 PHE HA H 4.66 0.02 1 1025 119 119 PHE HB2 H 3.18 0.02 1 1026 119 119 PHE HB3 H 2.98 0.02 1 1027 119 119 PHE C C 175.2 0.05 1 1028 119 119 PHE CA C 57.6 0.05 1 1029 119 119 PHE CB C 39.9 0.05 1 1030 119 119 PHE N N 121.1 0.05 1 1031 120 120 ASP H H 8.41 0.02 1 1032 120 120 ASP HA H 4.63 0.02 1 1033 120 120 ASP HB2 H 2.72 0.02 1 1034 120 120 ASP HB3 H 2.6 0.02 1 1035 120 120 ASP C C 175.7 0.05 1 1036 120 120 ASP CA C 54.3 0.05 1 1037 120 120 ASP CB C 41.2 0.05 1 1038 120 120 ASP N N 121.6 0.05 1 1039 121 121 VAL H H 7.92 0.02 1 1040 121 121 VAL HA H 4.15 0.02 1 1041 121 121 VAL HB H 2.12 0.02 1 1042 121 121 VAL HG1 H 0.94 0.02 2 1043 121 121 VAL HG2 H 0.94 0.02 2 1044 121 121 VAL C C 175.9 0.05 1 1045 121 121 VAL CA C 62.1 0.05 1 1046 121 121 VAL CB C 32.9 0.05 1 1047 121 121 VAL CG1 C 20.8 0.05 1 1048 121 121 VAL N N 119.2 0.05 1 1049 122 122 GLU H H 8.44 0.02 1 1050 122 122 GLU HA H 4.29 0.02 1 1051 122 122 GLU HB2 H 2.06 0.02 1 1052 122 122 GLU HB3 H 1.96 0.02 1 1053 122 122 GLU HG2 H 2.27 0.02 1 1054 122 122 GLU HG3 H 2.27 0.02 1 1055 122 122 GLU C C 176.1 0.05 1 1056 122 122 GLU CA C 56.3 0.05 1 1057 122 122 GLU CB C 30.2 0.05 1 1058 122 122 GLU CG C 36.2 0.05 1 1059 122 122 GLU N N 123.6 0.05 1 1060 123 123 MET H H 8.38 0.02 1 1061 123 123 MET HA H 4.56 0.02 1 1062 123 123 MET HB2 H 2.22 0.02 1 1063 123 123 MET HB3 H 1.92 0.02 1 1064 123 123 MET C C 174.6 0.05 1 1065 123 123 MET CA C 54.2 0.05 1 1066 123 123 MET CB C 29.7 0.05 1 1067 123 123 MET N N 123.2 0.05 1 1068 124 124 PRO HA H 4.48 0.02 1 1069 124 124 PRO HB2 H 2 0.02 1 1070 124 124 PRO HB3 H 2 0.02 1 1071 124 124 PRO HG2 H 2.35 0.02 1 1072 124 124 PRO HG3 H 2.35 0.02 1 1073 124 124 PRO C C 174.7 0.05 1 1074 124 124 PRO CA C 63.4 0.05 1 1075 124 124 PRO CB C 32.1 0.05 1 1076 124 124 PRO CG C 27.3 0.05 1 1077 125 125 SER H H 8.49 0.02 1 1078 125 125 SER HA H 4.41 0.02 1 1079 125 125 SER HB2 H 3.91 0.02 1 1080 125 125 SER HB3 H 3.91 0.02 1 1081 125 125 SER C C 174.9 0.05 1 1082 125 125 SER CA C 58.4 0.05 1 1083 125 125 SER CB C 64 0.05 1 1084 125 125 SER N N 116.1 0.05 1 1085 126 126 GLU H H 8.57 0.02 1 1086 126 126 GLU HA H 4.32 0.02 1 1087 126 126 GLU HB2 H 2.01 0.02 1 1088 126 126 GLU HB3 H 2.01 0.02 1 1089 126 126 GLU HG2 H 2.32 0.02 1 1090 126 126 GLU HG3 H 2.32 0.02 1 1091 126 126 GLU C C 176.5 0.05 1 1092 126 126 GLU CA C 56.7 0.05 1 1093 126 126 GLU CB C 30.2 0.05 1 1094 126 126 GLU N N 123 0.05 1 1095 127 127 ARG H H 8.31 0.02 1 1096 127 127 ARG C C 176.1 0.05 1 1097 127 127 ARG CA C 56.7 0.05 1 1098 127 127 ARG CB C 30.1 0.05 1 1099 127 127 ARG N N 121.3 0.05 1 1100 129 129 CYS HA H 4.7 0.02 1 1101 129 129 CYS HB2 H 3.28 0.02 1 1102 129 129 CYS HB3 H 3.03 0.02 1 1103 129 129 CYS C C 174.6 0.05 1 1104 129 129 CYS CA C 55.5 0.05 1 1105 129 129 CYS CB C 41.4 0.05 1 1106 130 130 GLN H H 8.52 0.02 1 1107 130 130 GLN HA H 4.42 0.02 1 1108 130 130 GLN HB2 H 2.12 0.02 1 1109 130 130 GLN HB3 H 2.04 0.02 1 1110 130 130 GLN HG2 H 2.39 0.02 1 1111 130 130 GLN HG3 H 2.39 0.02 1 1112 130 130 GLN C C 175.9 0.05 1 1113 130 130 GLN CA C 55.9 0.05 1 1114 130 130 GLN CB C 29.5 0.05 1 1115 130 130 GLN CG C 33.8 0.05 1 1116 130 130 GLN N N 121.8 0.05 1 1117 131 131 SER H H 8.5 0.02 1 1118 131 131 SER HA H 4.49 0.02 1 1119 131 131 SER HB2 H 3.94 0.02 1 1120 131 131 SER HB3 H 3.94 0.02 1 1121 131 131 SER C C 174.7 0.05 1 1122 131 131 SER CA C 58.4 0.05 1 1123 131 131 SER CB C 63.8 0.05 1 1124 131 131 SER N N 117.6 0.05 1 1125 132 132 GLU H H 8.34 0.02 1 1126 132 132 GLU HA H 4.3 0.02 1 1127 132 132 GLU HB2 H 2.06 0.02 1 1128 132 132 GLU HB3 H 1.93 0.02 1 1129 132 132 GLU HG2 H 2.27 0.02 1 1130 132 132 GLU HG3 H 2.27 0.02 1 1131 132 132 GLU C C 175.9 0.05 1 1132 132 132 GLU CA C 56.2 0.05 1 1133 132 132 GLU CB C 29.4 0.05 1 1134 132 132 GLU N N 122.4 0.05 1 1135 133 133 ASP H H 8.37 0.02 1 1136 133 133 ASP HA H 4.67 0.02 1 1137 133 133 ASP HB2 H 2.77 0.02 1 1138 133 133 ASP HB3 H 2.67 0.02 1 1139 133 133 ASP C C 176.8 0.05 1 1140 133 133 ASP CA C 54.5 0.05 1 1141 133 133 ASP CB C 41.1 0.05 1 1142 133 133 ASP N N 121.1 0.05 1 1143 134 134 ASP H H 8.36 0.02 1 1144 134 134 ASP HA H 4.65 0.02 1 1145 134 134 ASP HB2 H 2.75 0.02 1 1146 134 134 ASP HB3 H 2.75 0.02 1 1147 134 134 ASP C C 176.8 0.05 1 1148 134 134 ASP CA C 55.6 0.05 1 1149 134 134 ASP CB C 41 0.05 1 1150 134 134 ASP N N 119.1 0.05 1 1151 135 135 SER H H 8.34 0.02 1 1152 135 135 SER HA H 4.36 0.02 1 1153 135 135 SER HB2 H 3.96 0.02 1 1154 135 135 SER HB3 H 3.96 0.02 1 1155 135 135 SER C C 175 0.05 1 1156 135 135 SER CA C 59.2 0.05 1 1157 135 135 SER CB C 63.8 0.05 1 1158 135 135 SER N N 116.1 0.05 1 1159 136 136 MET H H 8.32 0.02 1 1160 136 136 MET C C 176.5 0.05 1 1161 136 136 MET CA C 55.8 0.05 1 1162 136 136 MET CB C 32.6 0.05 1 1163 136 136 MET N N 121.7 0.05 1 1164 137 137 GLU HA H 4.27 0.02 1 1165 137 137 GLU HB2 H 2.01 0.02 1 1166 137 137 GLU HB3 H 2.01 0.02 1 1167 137 137 GLU HG2 H 2.28 0.02 1 1168 137 137 GLU HG3 H 2.28 0.02 1 1169 137 137 GLU C C 176.6 0.05 1 1170 137 137 GLU CA C 56.6 0.05 1 1171 137 137 GLU CB C 30.3 0.05 1 1172 137 137 GLU CG C 36.6 0.05 1 1173 138 138 LYS H H 8.27 0.02 1 1174 138 138 LYS HA H 4.32 0.02 1 1175 138 138 LYS HB2 H 1.8 0.02 1 1176 138 138 LYS HB3 H 1.8 0.02 1 1177 138 138 LYS HG2 H 1.45 0.02 1 1178 138 138 LYS HG3 H 1.45 0.02 1 1179 138 138 LYS HD2 H 1.63 0.02 1 1180 138 138 LYS HD3 H 1.63 0.02 1 1181 138 138 LYS C C 176.6 0.05 1 1182 138 138 LYS CA C 56.6 0.05 1 1183 138 138 LYS CB C 32.9 0.05 1 1184 138 138 LYS CG C 24.8 0.05 1 1185 138 138 LYS N N 122.2 0.05 1 1186 139 139 ASP H H 8.44 0.02 1 1187 139 139 ASP HA H 4.52 0.02 1 1188 139 139 ASP HB2 H 2.61 0.02 1 1189 139 139 ASP HB3 H 2.61 0.02 1 1190 139 139 ASP C C 176.1 0.05 1 1191 139 139 ASP CA C 54.8 0.05 1 1192 139 139 ASP CB C 41 0.05 1 1193 139 139 ASP N N 121 0.05 1 1194 140 140 LYS C C 176.8 0.05 1 1195 140 140 LYS CA C 56.2 0.05 1 1196 140 140 LYS CB C 32.3 0.05 1 1197 141 141 GLU H H 8.36 0.02 1 1198 141 141 GLU HA H 4.15 0.02 1 1199 141 141 GLU HB2 H 1.94 0.02 1 1200 141 141 GLU HB3 H 1.94 0.02 1 1201 141 141 GLU HG2 H 2.26 0.02 1 1202 141 141 GLU HG3 H 2.26 0.02 1 1203 141 141 GLU C C 176.9 0.05 1 1204 141 141 GLU CA C 56.8 0.05 1 1205 141 141 GLU CB C 30 0.05 1 1206 141 141 GLU N N 120.7 0.05 1 1207 142 142 ASP HA H 4.64 0.02 1 1208 142 142 ASP HB2 H 2.73 0.02 1 1209 142 142 ASP HB3 H 2.67 0.02 1 1210 142 142 ASP C C 176.3 0.05 1 1211 142 142 ASP CA C 54.6 0.05 1 1212 142 142 ASP CB C 41.4 0.05 1 1213 143 143 ASP H H 8.36 0.02 1 1214 143 143 ASP HA H 4.57 0.02 1 1215 143 143 ASP HB2 H 2.69 0.02 1 1216 143 143 ASP HB3 H 2.69 0.02 1 1217 143 143 ASP C C 176.8 0.05 1 1218 143 143 ASP CA C 54.5 0.05 1 1219 143 143 ASP CB C 41.4 0.05 1 1220 143 143 ASP N N 121.8 0.05 1 1221 144 144 ILE H H 8.02 0.02 1 1222 144 144 ILE HA H 4.07 0.02 1 1223 144 144 ILE HB H 1.89 0.02 1 1224 144 144 ILE HG12 H 1.54 0.02 1 1225 144 144 ILE HG13 H 1.2 0.02 1 1226 144 144 ILE HG2 H 0.91 0.02 1 1227 144 144 ILE HD1 H 0.91 0.02 1 1228 144 144 ILE C C 176.6 0.05 1 1229 144 144 ILE CA C 62.1 0.05 1 1230 144 144 ILE CB C 38.4 0.05 1 1231 144 144 ILE CG1 C 27.8 0.05 1 1232 144 144 ILE CG2 C 17.4 0.05 1 1233 144 144 ILE N N 120.5 0.05 1 1234 145 145 LEU H H 8.2 0.02 1 1235 145 145 LEU HA H 4.32 0.02 1 1236 145 145 LEU HB2 H 1.64 0.02 1 1237 145 145 LEU HB3 H 1.64 0.02 1 1238 145 145 LEU HG H 1.64 0.02 1 1239 145 145 LEU HD1 H 0.89 0.02 2 1240 145 145 LEU HD2 H 0.89 0.02 2 1241 145 145 LEU C C 177.6 0.05 1 1242 145 145 LEU CA C 55.4 0.05 1 1243 145 145 LEU CB C 42 0.05 1 1244 145 145 LEU CG C 27.1 0.05 1 1245 145 145 LEU CD1 C 24.8 0.05 1 1246 145 145 LEU N N 124.9 0.05 1 1247 146 146 MET H H 8.35 0.02 1 1248 146 146 MET HA H 4.55 0.02 1 1249 146 146 MET HB2 H 2.24 0.02 1 1250 146 146 MET HB3 H 1.96 0.02 1 1251 146 146 MET C C 176.8 0.05 1 1252 146 146 MET CA C 56.5 0.05 1 1253 146 146 MET CB C 30.1 0.05 1 1254 146 146 MET N N 121.2 0.05 1 1255 147 147 ASN HA H 4.65 0.02 1 1256 147 147 ASN HB2 H 2.72 0.02 1 1257 147 147 ASN HB3 H 2.72 0.02 1 1258 147 147 ASN C C 176.6 0.05 1 1259 147 147 ASN CA C 54.4 0.05 1 1260 147 147 ASN CB C 41.1 0.05 1 1261 148 148 LYS H H 8.48 0.02 1 1262 148 148 LYS HA H 4.31 0.02 1 1263 148 148 LYS HB2 H 1.81 0.02 1 1264 148 148 LYS HB3 H 1.81 0.02 1 1265 148 148 LYS HG2 H 1.46 0.02 1 1266 148 148 LYS HG3 H 1.46 0.02 1 1267 148 148 LYS C C 177.2 0.05 1 1268 148 148 LYS CA C 57.1 0.05 1 1269 148 148 LYS CB C 30.1 0.05 1 1270 148 148 LYS N N 121.7 0.05 1 1271 149 149 GLY H H 8.53 0.02 1 1272 149 149 GLY HA2 H 3.95 0.02 1 1273 149 149 GLY HA3 H 3.95 0.02 1 1274 149 149 GLY C C 174.1 0.05 1 1275 149 149 GLY CA C 45.5 0.05 1 1276 149 149 GLY N N 109.3 0.05 1 1277 150 150 GLU H H 8.13 0.02 1 1278 150 150 GLU HA H 4.35 0.02 1 1279 150 150 GLU HB2 H 2.11 0.02 1 1280 150 150 GLU HB3 H 1.98 0.02 1 1281 150 150 GLU HG2 H 2.3 0.02 1 1282 150 150 GLU HG3 H 2.3 0.02 1 1283 150 150 GLU C C 175.8 0.05 1 1284 150 150 GLU CA C 55.8 0.05 1 1285 150 150 GLU CB C 29.4 0.05 1 1286 150 150 GLU CG C 36.2 0.05 1 1287 150 150 GLU N N 119.2 0.02 1 1288 151 151 SER H H 8.48 0.02 1 1289 151 151 SER HA H 4.54 0.02 1 1290 151 151 SER HB2 H 3.92 0.02 1 1291 151 151 SER HB3 H 3.92 0.02 1 1292 151 151 SER C C 174.8 0.05 1 1293 151 151 SER CA C 58.3 0.05 1 1294 151 151 SER CB C 63.9 0.05 1 1295 151 151 SER N N 117.3 0.05 1 1296 152 152 TRP H H 8.5 0.02 1 1297 152 152 TRP HA H 4.77 0.02 1 1298 152 152 TRP C C 176.3 0.05 1 1299 152 152 TRP CA C 55.7 0.05 1 1300 152 152 TRP CB C 29.1 0.05 1 1301 152 152 TRP N N 120.3 0.05 1 1302 153 153 VAL C C 177.9 0.05 1 1303 153 153 VAL CA C 62.5 0.05 1 1304 153 153 VAL CB C 32.9 0.05 1 1305 154 154 ALA H H 8.22 0.02 1 1306 154 154 ALA HA H 4.34 0.02 1 1307 154 154 ALA HB H 1.43 0.02 1 1308 154 154 ALA C C 176.6 0.05 1 1309 154 154 ALA CA C 53.1 0.05 1 1310 154 154 ALA CB C 19.2 0.05 1 1311 154 154 ALA N N 123.7 0.05 1 1312 155 155 ASP H H 8.15 0.02 1 1313 155 155 ASP C C 177.5 0.05 1 1314 155 155 ASP CA C 55.1 0.05 1 1315 155 155 ASP CB C 42.5 0.05 1 1316 155 155 ASP N N 121.3 0.05 1 stop_ save_