data_17246 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain ; _BMRB_accession_number 17246 _BMRB_flat_file_name bmr17246.str _Entry_type original _Submission_date 2010-10-11 _Accession_date 2010-10-11 _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 Gentile 'Maria Antonietta' . . 2 Melchiorre Sara . . 3 Emolo Carla . . 4 Moschioni Monica . . 5 Gianfaldoni Claudia . . 6 Pancotto Laura . . 7 Ferlenghi Ilaria . . 8 Scarselli Maria . . 9 Pansegrau Werner . . 10 Veggi Daniele . . 11 Merola Marcello . . 12 Cantini Francesca . . 13 Ruggiero Paolo . . 14 Banci Lucia . . 15 Masignani Vega . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 940 "13C chemical shifts" 660 "15N chemical shifts" 172 "T1 relaxation values" 150 "T2 relaxation values" 150 "order parameters" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-30 update author 'add relaxation data' 2011-04-28 update BMRB 'update entry citation' 2011-03-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Functional Characterization of the Streptococcus pneumoniae RrgB Pilus Backbone D1 Domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21367860 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gentile 'Maria Antonietta' . . 2 Melchiorre Sara . . 3 Emolo Carla . . 4 Moschioni Monica . . 5 Gianfaldoni Claudia . . 6 Pancotto Laura . . 7 Ferlenghi Ilaria . . 8 Scarselli Maria . . 9 Pansegrau Werner . . 10 Veggi Daniele . . 11 Merola Marcello . . 12 Cantini Francesca . . 13 Ruggiero Paolo . . 14 Banci Lucia . . 15 Masignani Vega . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14588 _Page_last 14597 _Year 2011 _Details . loop_ _Keyword NMR pilus RrgB 'Streptococcus pneumoniae' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DOMAIN_OF_A_CELL_WALL_SURFACE_ANCHOR_FAMILY_PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CELL_WALL_SURFACE_ANCHOR $CELL_WALL_SURFACE_ANCHOR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CELL_WALL_SURFACE_ANCHOR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DOMAIN_OF_A_CELL_WALL_SURFACE_ANCHOR_FAMILY_PROTEIN _Molecular_mass 18545.027 _Mol_thiol_state 'not present' loop_ _Biological_function 'Domain of the major pilin RrgB of Streptococcus pneumoniae' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 181 _Mol_residue_sequence ; METASAATVFAAGTTTTSVT VHKLLATDGDMDKIANELET GNYAGNKVGVLPANAKEIAG VMFVWTNTNNEIIDENGQTL GVNIDPQTFKLSGAMPATAM KKLTEAEGAKFNTANLPAAK YKIYEIHSLSTYVGEDGATL TGSKAVPIEIELPLNDVVDA HVYPKNTEAKPKILEHHHHH H ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 MET 2 20 GLU 3 21 THR 4 22 ALA 5 23 SER 6 24 ALA 7 25 ALA 8 26 THR 9 27 VAL 10 28 PHE 11 29 ALA 12 30 ALA 13 31 GLY 14 32 THR 15 33 THR 16 34 THR 17 35 THR 18 36 SER 19 37 VAL 20 38 THR 21 39 VAL 22 40 HIS 23 41 LYS 24 42 LEU 25 43 LEU 26 44 ALA 27 45 THR 28 46 ASP 29 47 GLY 30 48 ASP 31 49 MET 32 50 ASP 33 51 LYS 34 52 ILE 35 53 ALA 36 54 ASN 37 55 GLU 38 56 LEU 39 57 GLU 40 58 THR 41 59 GLY 42 60 ASN 43 61 TYR 44 62 ALA 45 63 GLY 46 64 ASN 47 65 LYS 48 66 VAL 49 67 GLY 50 68 VAL 51 69 LEU 52 70 PRO 53 71 ALA 54 72 ASN 55 73 ALA 56 74 LYS 57 75 GLU 58 76 ILE 59 77 ALA 60 78 GLY 61 79 VAL 62 80 MET 63 81 PHE 64 82 VAL 65 83 TRP 66 84 THR 67 85 ASN 68 86 THR 69 87 ASN 70 88 ASN 71 89 GLU 72 90 ILE 73 91 ILE 74 92 ASP 75 93 GLU 76 94 ASN 77 95 GLY 78 96 GLN 79 97 THR 80 98 LEU 81 99 GLY 82 100 VAL 83 101 ASN 84 102 ILE 85 103 ASP 86 104 PRO 87 105 GLN 88 106 THR 89 107 PHE 90 108 LYS 91 109 LEU 92 110 SER 93 111 GLY 94 112 ALA 95 113 MET 96 114 PRO 97 115 ALA 98 116 THR 99 117 ALA 100 118 MET 101 119 LYS 102 120 LYS 103 121 LEU 104 122 THR 105 123 GLU 106 124 ALA 107 125 GLU 108 126 GLY 109 127 ALA 110 128 LYS 111 129 PHE 112 130 ASN 113 131 THR 114 132 ALA 115 133 ASN 116 134 LEU 117 135 PRO 118 136 ALA 119 137 ALA 120 138 LYS 121 139 TYR 122 140 LYS 123 141 ILE 124 142 TYR 125 143 GLU 126 144 ILE 127 145 HIS 128 146 SER 129 147 LEU 130 148 SER 131 149 THR 132 150 TYR 133 151 VAL 134 152 GLY 135 153 GLU 136 154 ASP 137 155 GLY 138 156 ALA 139 157 THR 140 158 LEU 141 159 THR 142 160 GLY 143 161 SER 144 162 LYS 145 163 ALA 146 164 VAL 147 165 PRO 148 166 ILE 149 167 GLU 150 168 ILE 151 169 GLU 152 170 LEU 153 171 PRO 154 172 LEU 155 173 ASN 156 174 ASP 157 175 VAL 158 176 VAL 159 177 ASP 160 178 ALA 161 179 HIS 162 180 VAL 163 181 TYR 164 182 PRO 165 183 LYS 166 184 ASN 167 185 THR 168 186 GLU 169 187 ALA 170 188 LYS 171 189 PRO 172 190 LYS 173 191 ILE 174 192 LEU 175 193 GLU 176 194 HIS 177 195 HIS 178 196 HIS 179 197 HIS 180 198 HIS 181 199 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-24 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 2L4O "Solution Structure Of The Streptococcus Pneumoniae Rrgb Pilus Backbone D1 Domain" 100.00 181 100.00 100.00 2.23e-126 PDB 2Y1V "Full Length Structure Of Rrgb Pilus Protein From Streptococcus Pneumoniae" 89.50 605 97.53 97.53 3.05e-102 PDB 3RPK "Structure Of The Full-Length Major Pilin Rrgb From Streptococcus Pneumoniae" 90.06 603 97.55 97.55 6.59e-103 EMBL CEO70617 "cell wall surface anchor family protein [Streptococcus pneumoniae]" 93.37 665 99.41 99.41 1.69e-109 EMBL CEV45859 "cell wall surface anchor family protein [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.07e-110 EMBL CEV80893 "cell wall surface anchor family protein [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.07e-110 EMBL CEV87170 "cell wall surface anchor family protein [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.07e-110 EMBL CEV93515 "cell wall surface anchor family protein [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.07e-110 GB AAK74623 "cell wall surface anchor family protein [Streptococcus pneumoniae TIGR4]" 93.37 665 100.00 100.00 1.01e-110 GB ABS82086 "backbone pilus subunit [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.07e-110 GB ABS82156 "backbone pilus subunit [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.07e-110 GB ACO23362 "cell wall surface anchor family protein [Streptococcus pneumoniae Taiwan19F-14]" 93.37 665 100.00 100.00 1.07e-110 GB ADI68988 "LPXTG-motif cell wall anchor domain protein [Streptococcus pneumoniae TCH8431/19A]" 93.37 665 100.00 100.00 1.07e-110 REF WP_000836216 "cell wall surface anchor protein [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 8.54e-111 REF WP_000836217 "cell wall surface anchor protein [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.01e-110 REF WP_000836218 "cell wall surface anchor protein [Streptococcus pneumoniae]" 93.37 665 100.00 100.00 1.07e-110 REF WP_000836219 "cell wall surface anchor protein [Streptococcus pneumoniae]" 93.37 665 99.41 99.41 1.74e-109 REF WP_000836220 "hypothetical protein [Streptococcus pneumoniae]" 93.37 665 99.41 99.41 5.12e-110 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $CELL_WALL_SURFACE_ANCHOR 'Streptococcus pneumoniae' 1313 Bacteria . Streptococcus pneumoniae TIGR4 rrgB 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 $CELL_WALL_SURFACE_ANCHOR 'recombinant technology' . Escherichia coli BL21 'pET 21b+' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Buffer NaP 20mM pH 7.2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CELL_WALL_SURFACE_ANCHOR 0.5 mM '[U-95% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Buffer NaP 20mM pH7.2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CELL_WALL_SURFACE_ANCHOR 0.9 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Buffer NaP 20mM pH 7.2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CELL_WALL_SURFACE_ANCHOR 0.4 mM '[U-95% 13C; U-95% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 10 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'energy minimization' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'spectra visualization' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'spectra visualization' stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address '(CING) Geerten W. Vuister , Jurgen F. Doreleijers and Alan Wilter Sousa da Silva' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure visualization' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Dihedral angle calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_3 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCOCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 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' 20 . mM pH 7.2 . 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 dioxane C 13 'methyl carbon' ppm 69.4 external direct . . . 1.000 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '3D HN(COCA)CB' '3D HNCACB' '3D HNCO' '3D HNCOCA' '3D HBHA(CO)NH' '3D HNCA' '3D HNCACO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CELL_WALL_SURFACE_ANCHOR _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 25 7 ALA H H 8.251 0.020 1 2 25 7 ALA HA H 4.247 0.020 1 3 25 7 ALA HB H 1.283 0.020 1 4 25 7 ALA C C 177.790 0.400 1 5 25 7 ALA CA C 52.249 0.400 1 6 25 7 ALA CB C 19.021 0.400 1 7 25 7 ALA N N 123.204 0.400 1 8 26 8 THR H H 8.028 0.020 1 9 26 8 THR HA H 4.160 0.020 1 10 26 8 THR HB H 3.995 0.020 1 11 26 8 THR HG2 H 0.980 0.020 1 12 26 8 THR C C 174.092 0.400 1 13 26 8 THR CA C 61.564 0.400 1 14 26 8 THR CB C 69.701 0.400 1 15 26 8 THR CG2 C 21.499 0.400 1 16 26 8 THR N N 114.206 0.400 1 17 27 9 VAL H H 7.974 0.020 1 18 27 9 VAL HA H 3.986 0.020 1 19 27 9 VAL HB H 1.881 0.020 1 20 27 9 VAL HG1 H 0.811 0.020 2 21 27 9 VAL HG2 H 0.753 0.020 2 22 27 9 VAL C C 175.460 0.400 1 23 27 9 VAL CA C 61.893 0.400 1 24 27 9 VAL CB C 32.938 0.400 1 25 27 9 VAL CG1 C 21.015 0.400 1 26 27 9 VAL CG2 C 20.231 0.400 1 27 27 9 VAL N N 122.684 0.400 1 28 28 10 PHE H H 8.274 0.020 1 29 28 10 PHE HA H 4.531 0.020 1 30 28 10 PHE HB2 H 3.044 0.020 2 31 28 10 PHE HB3 H 2.870 0.020 2 32 28 10 PHE HD1 H 7.159 0.020 1 33 28 10 PHE HD2 H 7.159 0.020 1 34 28 10 PHE HE1 H 7.240 0.020 1 35 28 10 PHE HE2 H 7.240 0.020 1 36 28 10 PHE HZ H 7.430 0.020 1 37 28 10 PHE C C 175.058 0.400 1 38 28 10 PHE CA C 57.613 0.400 1 39 28 10 PHE CB C 39.615 0.400 1 40 28 10 PHE N N 124.466 0.400 1 41 29 11 ALA H H 8.166 0.020 1 42 29 11 ALA HA H 4.240 0.020 1 43 29 11 ALA HB H 1.236 0.020 1 44 29 11 ALA C C 176.466 0.400 1 45 29 11 ALA CA C 52.151 0.400 1 46 29 11 ALA CB C 19.558 0.400 1 47 29 11 ALA N N 126.397 0.400 1 48 30 12 ALA H H 8.112 0.020 1 49 30 12 ALA HA H 4.249 0.020 1 50 30 12 ALA HB H 1.280 0.020 1 51 30 12 ALA C C 177.351 0.400 1 52 30 12 ALA CA C 52.025 0.400 1 53 30 12 ALA CB C 19.916 0.400 1 54 30 12 ALA N N 123.528 0.400 1 55 31 13 GLY H H 7.782 0.020 1 56 31 13 GLY HA2 H 4.051 0.020 2 57 31 13 GLY HA3 H 3.815 0.020 2 58 31 13 GLY C C 173.891 0.400 1 59 31 13 GLY CA C 44.398 0.400 1 60 31 13 GLY N N 106.433 0.400 1 61 32 14 THR H H 8.271 0.020 1 62 32 14 THR HA H 4.767 0.020 1 63 32 14 THR HB H 4.257 0.020 1 64 32 14 THR HG2 H 1.054 0.020 1 65 32 14 THR C C 174.535 0.400 1 66 32 14 THR CA C 60.469 0.400 1 67 32 14 THR CB C 72.231 0.400 1 68 32 14 THR CG2 C 20.116 0.400 1 69 32 14 THR N N 112.569 0.400 1 70 33 15 THR H H 7.750 0.020 1 71 33 15 THR HA H 3.987 0.020 1 72 33 15 THR HB H 4.158 0.020 1 73 33 15 THR HG2 H 1.125 0.020 1 74 33 15 THR C C 174.535 0.400 1 75 33 15 THR CA C 62.933 0.400 1 76 33 15 THR CB C 69.343 0.400 1 77 33 15 THR CG2 C 22.301 0.400 1 78 33 15 THR N N 107.699 0.400 1 79 34 16 THR H H 8.237 0.020 1 80 34 16 THR HA H 4.956 0.020 1 81 34 16 THR HB H 3.871 0.020 1 82 34 16 THR HG2 H 1.051 0.020 1 83 34 16 THR C C 175.862 0.400 1 84 34 16 THR CA C 62.177 0.400 1 85 34 16 THR CB C 69.343 0.400 1 86 34 16 THR CG2 C 23.713 0.400 1 87 34 16 THR N N 119.915 0.400 1 88 35 17 THR H H 8.387 0.020 1 89 35 17 THR HA H 3.629 0.020 1 90 35 17 THR HB H 4.266 0.020 1 91 35 17 THR HG2 H 1.127 0.020 1 92 35 17 THR C C 176.380 0.400 1 93 35 17 THR CA C 63.066 0.400 1 94 35 17 THR CB C 68.907 0.400 1 95 35 17 THR CG2 C 22.223 0.400 1 96 35 17 THR N N 118.461 0.400 1 97 36 18 SER H H 8.223 0.020 1 98 36 18 SER HA H 5.089 0.020 1 99 36 18 SER HB2 H 3.815 0.020 2 100 36 18 SER HB3 H 3.658 0.020 2 101 36 18 SER C C 172.322 0.400 1 102 36 18 SER CA C 59.314 0.400 1 103 36 18 SER CB C 66.657 0.400 1 104 36 18 SER N N 118.331 0.400 1 105 37 19 VAL H H 8.087 0.020 1 106 37 19 VAL HA H 4.198 0.020 1 107 37 19 VAL HB H 1.808 0.020 1 108 37 19 VAL HG1 H 0.886 0.020 2 109 37 19 VAL HG2 H 0.527 0.020 2 110 37 19 VAL C C 174.776 0.400 1 111 37 19 VAL CA C 61.553 0.400 1 112 37 19 VAL CB C 36.123 0.400 1 113 37 19 VAL CG1 C 23.323 0.400 1 114 37 19 VAL CG2 C 21.298 0.400 1 115 37 19 VAL N N 119.173 0.400 1 116 38 20 THR H H 8.823 0.020 1 117 38 20 THR HA H 5.223 0.020 1 118 38 20 THR HB H 3.449 0.020 1 119 38 20 THR HG2 H 0.287 0.020 1 120 38 20 THR C C 172.920 0.400 1 121 38 20 THR CA C 60.838 0.400 1 122 38 20 THR CB C 68.358 0.400 1 123 38 20 THR CG2 C 20.431 0.400 1 124 38 20 THR N N 125.532 0.400 1 125 39 21 VAL H H 8.570 0.020 1 126 39 21 VAL HA H 3.797 0.020 1 127 39 21 VAL HB H 1.258 0.020 1 128 39 21 VAL HG1 H 0.460 0.020 2 129 39 21 VAL HG2 H -0.583 0.020 2 130 39 21 VAL C C 174.172 0.400 1 131 39 21 VAL CA C 60.568 0.400 1 132 39 21 VAL CB C 32.900 0.400 1 133 39 21 VAL CG1 C 21.425 0.400 1 134 39 21 VAL CG2 C 19.707 0.400 1 135 39 21 VAL N N 127.504 0.400 1 136 40 22 HIS H H 7.834 0.020 1 137 40 22 HIS HA H 4.581 0.020 1 138 40 22 HIS HB2 H 2.571 0.020 2 139 40 22 HIS HB3 H 2.454 0.020 2 140 40 22 HIS HD2 H 6.041 0.020 1 141 40 22 HIS HE1 H 8.410 0.020 1 142 40 22 HIS C C 173.250 0.400 1 143 40 22 HIS CA C 54.032 0.400 1 144 40 22 HIS CB C 30.984 0.400 1 145 40 22 HIS N N 125.118 0.400 1 146 40 22 HIS ND1 N 184.000 0.400 1 147 40 22 HIS NE2 N 183.244 0.400 1 148 41 23 LYS H H 9.749 0.020 1 149 41 23 LYS HA H 4.665 0.020 1 150 41 23 LYS HB2 H 2.285 0.020 2 151 41 23 LYS HB3 H 1.499 0.020 2 152 41 23 LYS HD2 H 1.298 0.020 2 153 41 23 LYS HD3 H 1.298 0.020 2 154 41 23 LYS HE2 H 2.618 0.020 2 155 41 23 LYS HE3 H 2.618 0.020 2 156 41 23 LYS HG2 H 1.957 0.020 2 157 41 23 LYS HG3 H 1.562 0.020 2 158 41 23 LYS C C 173.210 0.400 1 159 41 23 LYS CA C 54.010 0.400 1 160 41 23 LYS CB C 32.900 0.400 1 161 41 23 LYS CD C 25.995 0.400 1 162 41 23 LYS CE C 42.322 0.400 1 163 41 23 LYS CG C 28.138 0.400 1 164 41 23 LYS N N 124.867 0.400 1 165 42 24 LEU H H 8.486 0.020 1 166 42 24 LEU HA H 5.255 0.020 1 167 42 24 LEU HB2 H 1.761 0.020 2 168 42 24 LEU HB3 H 1.069 0.020 2 169 42 24 LEU HD1 H 0.748 0.020 2 170 42 24 LEU HD2 H 0.693 0.020 2 171 42 24 LEU HG H 1.694 0.020 1 172 42 24 LEU C C 176.100 0.400 1 173 42 24 LEU CA C 52.868 0.400 1 174 42 24 LEU CB C 43.958 0.400 1 175 42 24 LEU CD1 C 25.982 0.400 1 176 42 24 LEU CD2 C 23.312 0.400 1 177 42 24 LEU CG C 27.429 0.400 1 178 42 24 LEU N N 126.647 0.400 1 179 43 25 LEU H H 8.831 0.020 1 180 43 25 LEU HA H 4.492 0.020 1 181 43 25 LEU HB2 H 1.268 0.020 2 182 43 25 LEU HB3 H 1.445 0.020 2 183 43 25 LEU HD1 H 0.664 0.020 2 184 43 25 LEU HD2 H 0.748 0.020 2 185 43 25 LEU HG H 1.291 0.020 1 186 43 25 LEU C C 175.140 0.400 1 187 43 25 LEU CA C 53.315 0.400 1 188 43 25 LEU CB C 45.257 0.400 1 189 43 25 LEU CD1 C 25.387 0.400 1 190 43 25 LEU CD2 C 23.772 0.400 1 191 43 25 LEU CG C 26.730 0.400 1 192 43 25 LEU N N 120.354 0.400 1 193 44 26 ALA H H 8.227 0.020 1 194 44 26 ALA HA H 5.121 0.020 1 195 44 26 ALA HB H 1.173 0.020 1 196 44 26 ALA C C 179.484 0.400 1 197 44 26 ALA CA C 50.162 0.400 1 198 44 26 ALA CB C 20.454 0.400 1 199 44 26 ALA N N 123.327 0.400 1 200 45 27 THR H H 9.340 0.020 1 201 45 27 THR HA H 3.980 0.020 1 202 45 27 THR HB H 4.263 0.020 1 203 45 27 THR HG2 H 1.063 0.020 1 204 45 27 THR C C 174.860 0.400 1 205 45 27 THR CA C 63.868 0.400 1 206 45 27 THR CB C 68.358 0.400 1 207 45 27 THR CG2 C 22.267 0.400 1 208 45 27 THR N N 117.341 0.400 1 209 46 28 ASP H H 7.960 0.020 1 210 46 28 ASP HA H 4.602 0.020 1 211 46 28 ASP HB2 H 2.919 0.020 2 212 46 28 ASP HB3 H 2.526 0.020 2 213 46 28 ASP C C 177.430 0.400 1 214 46 28 ASP CA C 52.868 0.400 1 215 46 28 ASP CB C 41.138 0.400 1 216 46 28 ASP N N 119.006 0.400 1 217 47 29 GLY H H 7.590 0.020 1 218 47 29 GLY HA2 H 3.800 0.020 2 219 47 29 GLY HA3 H 4.114 0.020 2 220 47 29 GLY C C 173.529 0.400 1 221 47 29 GLY CA C 45.794 0.400 1 222 47 29 GLY N N 106.243 0.400 1 223 48 30 ASP H H 7.903 0.020 1 224 48 30 ASP HA H 4.743 0.020 1 225 48 30 ASP HB2 H 2.881 0.020 2 226 48 30 ASP HB3 H 2.228 0.020 2 227 48 30 ASP C C 176.023 0.400 1 228 48 30 ASP CA C 52.957 0.400 1 229 48 30 ASP CB C 39.705 0.400 1 230 48 30 ASP N N 122.051 0.400 1 231 49 31 MET H H 8.064 0.020 1 232 49 31 MET HA H 4.295 0.020 1 233 49 31 MET HB2 H 2.654 0.020 2 234 49 31 MET HB3 H 2.576 0.020 2 235 49 31 MET HE H 2.028 0.020 1 236 49 31 MET HG2 H 2.015 0.020 2 237 49 31 MET HG3 H 2.096 0.020 2 238 49 31 MET C C 178.478 0.400 1 239 49 31 MET CA C 56.027 0.400 1 240 49 31 MET CB C 32.450 0.400 1 241 49 31 MET CE C 16.670 0.400 1 242 49 31 MET CG C 31.613 0.400 1 243 49 31 MET N N 122.460 0.400 1 244 50 32 ASP H H 8.448 0.020 1 245 50 32 ASP HA H 4.350 0.020 1 246 50 32 ASP HB2 H 2.699 0.020 2 247 50 32 ASP HB3 H 2.564 0.020 2 248 50 32 ASP C C 177.950 0.400 1 249 50 32 ASP CA C 57.537 0.400 1 250 50 32 ASP CB C 40.135 0.400 1 251 50 32 ASP N N 121.616 0.400 1 252 51 33 LYS H H 7.590 0.020 1 253 51 33 LYS HA H 3.988 0.020 1 254 51 33 LYS HB2 H 1.635 0.020 2 255 51 33 LYS HB3 H 1.830 0.020 2 256 51 33 LYS HD2 H 1.611 0.020 2 257 51 33 LYS HD3 H 1.611 0.020 2 258 51 33 LYS HE2 H 2.902 0.020 2 259 51 33 LYS HE3 H 2.902 0.020 2 260 51 33 LYS HG2 H 1.416 0.020 2 261 51 33 LYS HG3 H 1.273 0.020 2 262 51 33 LYS C C 178.719 0.400 1 263 51 33 LYS CA C 59.314 0.400 1 264 51 33 LYS CB C 32.900 0.400 1 265 51 33 LYS CD C 29.164 0.400 1 266 51 33 LYS CE C 42.091 0.400 1 267 51 33 LYS CG C 24.799 0.400 1 268 51 33 LYS N N 120.154 0.400 1 269 52 34 ILE H H 6.903 0.020 1 270 52 34 ILE HA H 3.485 0.020 1 271 52 34 ILE HB H 1.991 0.020 1 272 52 34 ILE HD1 H 0.715 0.020 1 273 52 34 ILE HG12 H 1.746 0.020 2 274 52 34 ILE HG13 H 0.833 0.020 2 275 52 34 ILE HG2 H 0.678 0.020 1 276 52 34 ILE C C 176.870 0.400 1 277 52 34 ILE CA C 65.224 0.400 1 278 52 34 ILE CB C 37.914 0.400 1 279 52 34 ILE CD1 C 13.803 0.400 1 280 52 34 ILE CG1 C 29.752 0.400 1 281 52 34 ILE CG2 C 17.470 0.400 1 282 52 34 ILE N N 117.669 0.400 1 283 53 35 ALA H H 8.115 0.020 1 284 53 35 ALA HA H 3.894 0.020 1 285 53 35 ALA HB H 1.441 0.020 1 286 53 35 ALA C C 179.926 0.400 1 287 53 35 ALA CA C 55.196 0.400 1 288 53 35 ALA CB C 18.305 0.400 1 289 53 35 ALA N N 121.292 0.400 1 290 54 36 ASN H H 8.306 0.020 1 291 54 36 ASN HA H 4.413 0.020 1 292 54 36 ASN HB2 H 2.811 0.020 2 293 54 36 ASN HB3 H 2.736 0.020 2 294 54 36 ASN HD21 H 7.560 0.020 2 295 54 36 ASN HD22 H 6.873 0.020 2 296 54 36 ASN C C 177.633 0.400 1 297 54 36 ASN CA C 56.021 0.400 1 298 54 36 ASN CB C 38.599 0.400 1 299 54 36 ASN N N 115.662 0.400 1 300 54 36 ASN ND2 N 112.764 0.400 1 301 55 37 GLU H H 8.070 0.020 1 302 55 37 GLU HA H 4.004 0.020 1 303 55 37 GLU HB2 H 1.978 0.020 2 304 55 37 GLU HB3 H 1.955 0.020 2 305 55 37 GLU HG2 H 2.364 0.020 2 306 55 37 GLU HG3 H 2.138 0.020 2 307 55 37 GLU C C 179.323 0.400 1 308 55 37 GLU CA C 59.479 0.400 1 309 55 37 GLU CB C 29.497 0.400 1 310 55 37 GLU CG C 36.719 0.400 1 311 55 37 GLU N N 120.613 0.400 1 312 56 38 LEU H H 8.218 0.020 1 313 56 38 LEU HA H 4.051 0.020 1 314 56 38 LEU HB2 H 1.755 0.020 2 315 56 38 LEU HB3 H 1.323 0.020 2 316 56 38 LEU HD1 H 0.521 0.020 2 317 56 38 LEU HD2 H 0.329 0.020 2 318 56 38 LEU HG H 1.576 0.020 1 319 56 38 LEU C C 179.283 0.400 1 320 56 38 LEU CA C 57.242 0.400 1 321 56 38 LEU CB C 41.585 0.400 1 322 56 38 LEU CD1 C 25.471 0.400 1 323 56 38 LEU CD2 C 23.288 0.400 1 324 56 38 LEU CG C 26.814 0.400 1 325 56 38 LEU N N 119.747 0.400 1 326 57 39 GLU H H 8.099 0.020 1 327 57 39 GLU HA H 4.098 0.020 1 328 57 39 GLU HB2 H 2.086 0.020 2 329 57 39 GLU HB3 H 2.086 0.020 2 330 57 39 GLU HG2 H 2.294 0.020 2 331 57 39 GLU HG3 H 2.246 0.020 2 332 57 39 GLU C C 178.679 0.400 1 333 57 39 GLU CA C 58.792 0.400 1 334 57 39 GLU CB C 29.587 0.400 1 335 57 39 GLU CG C 36.250 0.400 1 336 57 39 GLU N N 119.541 0.400 1 337 58 40 THR H H 7.962 0.020 1 338 58 40 THR HA H 4.084 0.020 1 339 58 40 THR HB H 4.188 0.020 1 340 58 40 THR HG2 H 1.170 0.020 1 341 58 40 THR C C 175.782 0.400 1 342 58 40 THR CA C 64.080 0.400 1 343 58 40 THR CB C 69.608 0.400 1 344 58 40 THR CG2 C 21.693 0.400 1 345 58 40 THR N N 112.145 0.400 1 346 59 41 GLY H H 7.813 0.020 1 347 59 41 GLY HA2 H 3.779 0.020 2 348 59 41 GLY HA3 H 3.524 0.020 2 349 59 41 GLY C C 173.529 0.400 1 350 59 41 GLY CA C 45.704 0.400 1 351 59 41 GLY N N 108.620 0.400 1 352 60 42 ASN H H 7.700 0.020 1 353 60 42 ASN HA H 4.518 0.020 1 354 60 42 ASN HB2 H 2.785 0.020 2 355 60 42 ASN HB3 H 2.436 0.020 2 356 60 42 ASN HD21 H 7.451 0.020 2 357 60 42 ASN HD22 H 6.760 0.020 2 358 60 42 ASN C C 174.454 0.400 1 359 60 42 ASN CA C 53.405 0.400 1 360 60 42 ASN CB C 38.075 0.400 1 361 60 42 ASN N N 116.577 0.400 1 362 60 42 ASN ND2 N 112.131 0.400 1 363 61 43 TYR H H 8.114 0.020 1 364 61 43 TYR HA H 4.217 0.020 1 365 61 43 TYR HB2 H 3.020 0.020 2 366 61 43 TYR HB3 H 2.733 0.020 2 367 61 43 TYR HD1 H 7.057 0.020 1 368 61 43 TYR HD2 H 7.057 0.020 1 369 61 43 TYR HE1 H 6.810 0.020 1 370 61 43 TYR HE2 H 6.810 0.020 1 371 61 43 TYR C C 177.155 0.400 1 372 61 43 TYR CA C 60.120 0.400 1 373 61 43 TYR CB C 38.304 0.400 1 374 61 43 TYR N N 118.289 0.400 1 375 62 44 ALA H H 8.427 0.020 1 376 62 44 ALA HA H 4.193 0.020 1 377 62 44 ALA HB H 1.268 0.020 1 378 62 44 ALA C C 176.748 0.400 1 379 62 44 ALA CA C 53.152 0.400 1 380 62 44 ALA CB C 18.394 0.400 1 381 62 44 ALA N N 123.046 0.400 1 382 63 45 GLY H H 8.080 0.020 1 383 63 45 GLY HA2 H 4.334 0.020 2 384 63 45 GLY HA3 H 3.815 0.020 2 385 63 45 GLY C C 174.414 0.400 1 386 63 45 GLY CA C 45.859 0.400 1 387 63 45 GLY N N 105.671 0.400 1 388 64 46 ASN H H 8.118 0.020 1 389 64 46 ASN HA H 4.925 0.020 1 390 64 46 ASN HB2 H 2.852 0.020 2 391 64 46 ASN HB3 H 2.731 0.020 2 392 64 46 ASN HD21 H 7.521 0.020 2 393 64 46 ASN HD22 H 7.015 0.020 2 394 64 46 ASN C C 174.816 0.400 1 395 64 46 ASN CA C 52.885 0.400 1 396 64 46 ASN CB C 39.667 0.400 1 397 64 46 ASN N N 117.926 0.400 1 398 64 46 ASN ND2 N 113.820 0.400 1 399 65 47 LYS H H 8.414 0.020 1 400 65 47 LYS HA H 3.567 0.020 1 401 65 47 LYS HB2 H 1.256 0.020 2 402 65 47 LYS HB3 H 0.524 0.020 2 403 65 47 LYS HD2 H 1.255 0.020 2 404 65 47 LYS HD3 H 1.255 0.020 2 405 65 47 LYS HE2 H 2.750 0.020 2 406 65 47 LYS HE3 H 2.750 0.020 2 407 65 47 LYS HG2 H 0.577 0.020 2 408 65 47 LYS HG3 H 0.860 0.020 2 409 65 47 LYS C C 176.345 0.400 1 410 65 47 LYS CA C 57.442 0.400 1 411 65 47 LYS CB C 33.051 0.400 1 412 65 47 LYS CD C 29.500 0.400 1 413 65 47 LYS CE C 42.259 0.400 1 414 65 47 LYS CG C 25.022 0.400 1 415 65 47 LYS N N 121.160 0.400 1 416 66 48 VAL H H 7.659 0.020 1 417 66 48 VAL HA H 3.225 0.020 1 418 66 48 VAL HB H 1.236 0.020 1 419 66 48 VAL HG1 H 0.287 0.020 2 420 66 48 VAL HG2 H -0.163 0.020 2 421 66 48 VAL C C 176.104 0.400 1 422 66 48 VAL CA C 62.251 0.400 1 423 66 48 VAL CB C 30.930 0.400 1 424 66 48 VAL CG1 C 21.190 0.400 1 425 66 48 VAL CG2 C 20.182 0.400 1 426 66 48 VAL N N 126.671 0.400 1 427 67 49 GLY H H 8.131 0.020 1 428 67 49 GLY HA2 H 3.658 0.020 2 429 67 49 GLY HA3 H 3.624 0.020 2 430 67 49 GLY C C 173.649 0.400 1 431 67 49 GLY CA C 46.779 0.400 1 432 67 49 GLY N N 115.576 0.400 1 433 68 50 VAL H H 7.518 0.020 1 434 68 50 VAL HA H 3.983 0.020 1 435 68 50 VAL HB H 1.787 0.020 1 436 68 50 VAL HG1 H 0.761 0.020 2 437 68 50 VAL HG2 H 0.749 0.020 2 438 68 50 VAL C C 174.937 0.400 1 439 68 50 VAL CA C 61.463 0.400 1 440 68 50 VAL CB C 33.258 0.400 1 441 68 50 VAL CG1 C 20.783 0.400 1 442 68 50 VAL CG2 C 20.507 0.400 1 443 68 50 VAL N N 120.392 0.400 1 444 69 51 LEU H H 8.415 0.020 1 445 69 51 LEU HA H 4.049 0.020 1 446 69 51 LEU HB2 H 1.577 0.020 2 447 69 51 LEU HB3 H 1.110 0.020 2 448 69 51 LEU HD1 H 0.776 0.020 2 449 69 51 LEU HD2 H 0.572 0.020 2 450 69 51 LEU HG H 1.558 0.020 1 451 69 51 LEU CA C 53.315 0.400 1 452 69 51 LEU CB C 41.138 0.400 1 453 69 51 LEU CD1 C 25.634 0.400 1 454 69 51 LEU CD2 C 22.873 0.400 1 455 69 51 LEU CG C 26.867 0.400 1 456 69 51 LEU N N 126.664 0.400 1 457 70 52 PRO HA H 4.310 0.020 1 458 70 52 PRO HB2 H 2.322 0.020 2 459 70 52 PRO HB3 H 1.645 0.020 2 460 70 52 PRO HD2 H 2.973 0.020 2 461 70 52 PRO HD3 H 3.578 0.020 2 462 70 52 PRO HG2 H 1.880 0.020 2 463 70 52 PRO HG3 H 1.827 0.020 2 464 70 52 PRO C C 176.707 0.400 1 465 70 52 PRO CA C 62.884 0.400 1 466 70 52 PRO CB C 31.973 0.400 1 467 70 52 PRO CD C 49.854 0.400 1 468 70 52 PRO CG C 28.101 0.400 1 469 71 53 ALA H H 8.774 0.020 1 470 71 53 ALA HA H 3.984 0.020 1 471 71 53 ALA HB H 1.334 0.020 1 472 71 53 ALA C C 177.754 0.400 1 473 71 53 ALA CA C 54.658 0.400 1 474 71 53 ALA CB C 18.573 0.400 1 475 71 53 ALA N N 124.723 0.400 1 476 72 54 ASN H H 8.300 0.020 1 477 72 54 ASN HA H 4.532 0.020 1 478 72 54 ASN HB2 H 2.906 0.020 2 479 72 54 ASN HB3 H 2.530 0.020 2 480 72 54 ASN HD21 H 6.156 0.020 2 481 72 54 ASN HD22 H 7.946 0.020 2 482 72 54 ASN C C 173.569 0.400 1 483 72 54 ASN CA C 52.870 0.400 1 484 72 54 ASN CB C 36.888 0.400 1 485 72 54 ASN N N 112.434 0.400 1 486 72 54 ASN ND2 N 113.501 0.400 1 487 73 55 ALA H H 7.703 0.020 1 488 73 55 ALA HA H 5.029 0.020 1 489 73 55 ALA HB H 1.200 0.020 1 490 73 55 ALA C C 176.265 0.400 1 491 73 55 ALA CA C 50.898 0.400 1 492 73 55 ALA CB C 22.065 0.400 1 493 73 55 ALA N N 121.321 0.400 1 494 74 56 LYS H H 8.706 0.020 1 495 74 56 LYS HA H 4.461 0.020 1 496 74 56 LYS HB2 H 1.551 0.020 2 497 74 56 LYS HB3 H 1.481 0.020 2 498 74 56 LYS HD2 H 1.536 0.020 2 499 74 56 LYS HD3 H 1.536 0.020 2 500 74 56 LYS HE2 H 2.840 0.020 2 501 74 56 LYS HE3 H 2.840 0.020 2 502 74 56 LYS HG2 H 1.230 0.020 2 503 74 56 LYS HG3 H 1.156 0.020 2 504 74 56 LYS C C 174.172 0.400 1 505 74 56 LYS CA C 54.778 0.400 1 506 74 56 LYS CB C 35.765 0.400 1 507 74 56 LYS CD C 29.332 0.400 1 508 74 56 LYS CE C 41.960 0.400 1 509 74 56 LYS CG C 24.326 0.400 1 510 74 56 LYS N N 120.909 0.400 1 511 75 57 GLU H H 8.799 0.020 1 512 75 57 GLU HA H 4.960 0.020 1 513 75 57 GLU HB2 H 1.892 0.020 2 514 75 57 GLU HB3 H 1.700 0.020 2 515 75 57 GLU HG2 H 2.323 0.020 2 516 75 57 GLU HG3 H 2.260 0.020 2 517 75 57 GLU C C 177.190 0.400 1 518 75 57 GLU CA C 56.139 0.400 1 519 75 57 GLU CB C 29.198 0.400 1 520 75 57 GLU CG C 35.900 0.400 1 521 75 57 GLU N N 126.106 0.400 1 522 76 58 ILE H H 8.278 0.020 1 523 76 58 ILE HA H 4.581 0.020 1 524 76 58 ILE HB H 1.532 0.020 1 525 76 58 ILE HD1 H -0.022 0.020 1 526 76 58 ILE HG12 H 0.902 0.020 2 527 76 58 ILE HG13 H 0.902 0.020 2 528 76 58 ILE HG2 H 0.794 0.020 1 529 76 58 ILE C C 175.701 0.400 1 530 76 58 ILE CA C 59.219 0.400 1 531 76 58 ILE CB C 39.894 0.400 1 532 76 58 ILE CD1 C 11.863 0.400 1 533 76 58 ILE CG1 C 25.382 0.400 1 534 76 58 ILE CG2 C 18.117 0.400 1 535 77 59 ALA H H 8.580 0.020 1 536 77 59 ALA HA H 4.236 0.020 1 537 77 59 ALA HB H 1.146 0.020 1 538 77 59 ALA C C 177.230 0.400 1 539 77 59 ALA CA C 50.987 0.400 1 540 77 59 ALA CB C 20.454 0.400 1 541 77 59 ALA N N 129.422 0.400 1 542 78 60 GLY H H 9.021 0.020 1 543 78 60 GLY HA2 H 4.258 0.020 2 544 78 60 GLY HA3 H 3.511 0.020 2 545 78 60 GLY C C 174.816 0.400 1 546 78 60 GLY CA C 46.039 0.400 1 547 78 60 GLY N N 107.239 0.400 1 548 79 61 VAL H H 8.321 0.020 1 549 79 61 VAL HA H 4.129 0.020 1 550 79 61 VAL HB H 1.872 0.020 1 551 79 61 VAL HG1 H 0.551 0.020 2 552 79 61 VAL HG2 H 0.420 0.020 2 553 79 61 VAL C C 174.857 0.400 1 554 79 61 VAL CA C 62.090 0.400 1 555 79 61 VAL CB C 31.923 0.400 1 556 79 61 VAL CG1 C 22.785 0.400 1 557 79 61 VAL CG2 C 22.029 0.400 1 558 79 61 VAL N N 122.508 0.400 1 559 80 62 MET H H 8.495 0.020 1 560 80 62 MET HA H 4.677 0.020 1 561 80 62 MET HB2 H 1.600 0.020 2 562 80 62 MET HB3 H 1.600 0.020 2 563 80 62 MET HE H 1.976 0.020 1 564 80 62 MET HG2 H 2.230 0.020 2 565 80 62 MET HG3 H 1.963 0.020 2 566 80 62 MET C C 173.569 0.400 1 567 80 62 MET CA C 55.190 0.400 1 568 80 62 MET CB C 31.372 0.400 1 569 80 62 MET CE C 17.265 0.400 1 570 80 62 MET CG C 31.597 0.400 1 571 80 62 MET N N 128.894 0.400 1 572 81 63 PHE H H 8.527 0.020 1 573 81 63 PHE HA H 5.741 0.020 1 574 81 63 PHE HB2 H 2.756 0.020 2 575 81 63 PHE HB3 H 2.756 0.020 2 576 81 63 PHE HD1 H 6.967 0.020 1 577 81 63 PHE HD2 H 6.967 0.020 1 578 81 63 PHE HE1 H 7.058 0.020 1 579 81 63 PHE HE2 H 7.058 0.020 1 580 81 63 PHE C C 175.098 0.400 1 581 81 63 PHE CA C 56.986 0.400 1 582 81 63 PHE CB C 43.018 0.400 1 583 81 63 PHE N N 126.515 0.400 1 584 82 64 VAL H H 9.190 0.020 1 585 82 64 VAL HA H 5.365 0.020 1 586 82 64 VAL HB H 1.724 0.020 1 587 82 64 VAL HG1 H 0.991 0.020 2 588 82 64 VAL HG2 H 0.862 0.020 2 589 82 64 VAL C C 172.764 0.400 1 590 82 64 VAL CA C 59.941 0.400 1 591 82 64 VAL CB C 35.944 0.400 1 592 82 64 VAL CG1 C 22.785 0.400 1 593 82 64 VAL CG2 C 21.525 0.400 1 594 82 64 VAL N N 119.831 0.400 1 595 83 65 TRP H H 8.340 0.020 1 596 83 65 TRP HA H 5.338 0.020 1 597 83 65 TRP HB2 H 2.989 0.020 2 598 83 65 TRP HB3 H 2.850 0.020 2 599 83 65 TRP HD1 H 6.290 0.020 1 600 83 65 TRP HE1 H 5.029 0.020 1 601 83 65 TRP HE3 H 6.830 0.020 1 602 83 65 TRP HH2 H 6.380 0.020 1 603 83 65 TRP HZ2 H 6.170 0.020 1 604 83 65 TRP HZ3 H 6.087 0.020 1 605 83 65 TRP C C 175.782 0.400 1 606 83 65 TRP CA C 57.524 0.400 1 607 83 65 TRP CB C 30.184 0.400 1 608 83 65 TRP N N 128.577 0.400 1 609 83 65 TRP NE1 N 120.189 0.400 1 610 84 66 THR H H 9.447 0.020 1 611 84 66 THR HA H 5.261 0.020 1 612 84 66 THR HB H 4.036 0.020 1 613 84 66 THR HG2 H 0.819 0.020 1 614 84 66 THR C C 175.420 0.400 1 615 84 66 THR CA C 60.089 0.400 1 616 84 66 THR CB C 72.860 0.400 1 617 84 66 THR CG2 C 20.938 0.400 1 618 84 66 THR N N 108.042 0.400 1 619 85 67 ASN H H 8.293 0.020 1 620 85 67 ASN HA H 5.089 0.020 1 621 85 67 ASN HB2 H 3.787 0.020 2 622 85 67 ASN HB3 H 2.926 0.020 2 623 85 67 ASN HD21 H 6.630 0.020 2 624 85 67 ASN HD22 H 7.283 0.020 2 625 85 67 ASN C C 178.880 0.400 1 626 85 67 ASN CA C 51.524 0.400 1 627 85 67 ASN CB C 38.541 0.400 1 628 85 67 ASN N N 115.184 0.400 1 629 85 67 ASN ND2 N 111.965 0.400 1 630 86 68 THR H H 8.225 0.020 1 631 86 68 THR HA H 3.773 0.020 1 632 86 68 THR HB H 4.191 0.020 1 633 86 68 THR HG2 H 1.034 0.020 1 634 86 68 THR C C 173.931 0.400 1 635 86 68 THR CA C 65.045 0.400 1 636 86 68 THR CB C 68.269 0.400 1 637 86 68 THR CG2 C 22.197 0.400 1 638 86 68 THR N N 110.554 0.400 1 639 87 69 ASN H H 7.372 0.020 1 640 87 69 ASN HA H 4.776 0.020 1 641 87 69 ASN HB2 H 3.000 0.020 2 642 87 69 ASN HB3 H 2.530 0.020 2 643 87 69 ASN HD21 H 7.556 0.020 2 644 87 69 ASN HD22 H 6.855 0.020 2 645 87 69 ASN C C 174.172 0.400 1 646 87 69 ASN CA C 52.688 0.400 1 647 87 69 ASN CB C 38.810 0.400 1 648 87 69 ASN N N 118.278 0.400 1 649 87 69 ASN ND2 N 113.185 0.400 1 650 88 70 ASN H H 7.731 0.020 1 651 88 70 ASN HA H 4.441 0.020 1 652 88 70 ASN HB2 H 3.387 0.020 2 653 88 70 ASN HB3 H 3.282 0.020 2 654 88 70 ASN HD21 H 7.800 0.020 2 655 88 70 ASN HD22 H 7.700 0.020 2 656 88 70 ASN C C 172.483 0.400 1 657 88 70 ASN CA C 55.172 0.400 1 658 88 70 ASN CB C 37.689 0.400 1 659 88 70 ASN N N 109.781 0.400 1 660 88 70 ASN ND2 N 120.278 0.400 1 661 89 71 GLU H H 7.931 0.020 1 662 89 71 GLU HA H 4.489 0.020 1 663 89 71 GLU HB2 H 1.863 0.020 2 664 89 71 GLU HB3 H 1.863 0.020 2 665 89 71 GLU HG2 H 2.187 0.020 2 666 89 71 GLU HG3 H 2.187 0.020 2 667 89 71 GLU C C 175.058 0.400 1 668 89 71 GLU CA C 55.438 0.400 1 669 89 71 GLU CB C 30.572 0.400 1 670 89 71 GLU CG C 36.756 0.400 1 671 89 71 GLU N N 119.271 0.400 1 672 90 72 ILE H H 8.605 0.020 1 673 90 72 ILE HA H 4.125 0.020 1 674 90 72 ILE HB H 1.472 0.020 1 675 90 72 ILE HD1 H 0.616 0.020 1 676 90 72 ILE HG12 H 0.798 0.020 2 677 90 72 ILE HG13 H 1.545 0.020 2 678 90 72 ILE HG2 H 0.964 0.020 1 679 90 72 ILE C C 174.615 0.400 1 680 90 72 ILE CA C 63.881 0.400 1 681 90 72 ILE CB C 38.541 0.400 1 682 90 72 ILE CD1 C 13.887 0.400 1 683 90 72 ILE CG1 C 29.223 0.400 1 684 90 72 ILE CG2 C 18.084 0.400 1 685 90 72 ILE N N 125.490 0.400 1 686 91 73 ILE H H 7.195 0.020 1 687 91 73 ILE HA H 5.435 0.020 1 688 91 73 ILE HB H 1.834 0.020 1 689 91 73 ILE HD1 H 0.919 0.020 1 690 91 73 ILE HG12 H 1.321 0.020 2 691 91 73 ILE HG13 H 0.669 0.020 2 692 91 73 ILE HG2 H 0.858 0.020 1 693 91 73 ILE C C 175.943 0.400 1 694 91 73 ILE CA C 58.649 0.400 1 695 91 73 ILE CB C 43.018 0.400 1 696 91 73 ILE CD1 C 16.191 0.400 1 697 91 73 ILE CG1 C 25.297 0.400 1 698 91 73 ILE CG2 C 17.580 0.400 1 699 91 73 ILE N N 118.256 0.400 1 700 92 74 ASP H H 7.937 0.020 1 701 92 74 ASP HA H 4.790 0.020 1 702 92 74 ASP HB2 H 3.218 0.020 2 703 92 74 ASP HB3 H 2.604 0.020 2 704 92 74 ASP C C 178.035 0.400 1 705 92 74 ASP CA C 52.241 0.400 1 706 92 74 ASP CB C 42.902 0.400 1 707 92 74 ASP N N 117.668 0.400 1 708 93 75 GLU H H 8.224 0.020 1 709 93 75 GLU HA H 4.453 0.020 1 710 93 75 GLU HB2 H 1.903 0.020 2 711 93 75 GLU HB3 H 1.834 0.020 2 712 93 75 GLU HG2 H 2.216 0.020 2 713 93 75 GLU HG3 H 2.040 0.020 2 714 93 75 GLU C C 175.460 0.400 1 715 93 75 GLU CA C 57.640 0.400 1 716 93 75 GLU CB C 29.377 0.400 1 717 93 75 GLU CG C 36.083 0.400 1 718 93 75 GLU N N 114.039 0.400 1 719 94 76 ASN H H 8.040 0.020 1 720 94 76 ASN HA H 4.800 0.020 1 721 94 76 ASN HB2 H 2.829 0.020 2 722 94 76 ASN HB3 H 2.640 0.020 2 723 94 76 ASN HD21 H 6.734 0.020 2 724 94 76 ASN HD22 H 7.588 0.020 2 725 94 76 ASN C C 176.345 0.400 1 726 94 76 ASN CA C 52.833 0.400 1 727 94 76 ASN CB C 39.633 0.400 1 728 94 76 ASN N N 115.052 0.400 1 729 94 76 ASN ND2 N 113.946 0.400 1 730 95 77 GLY H H 8.408 0.020 1 731 95 77 GLY HA2 H 4.004 0.020 2 732 95 77 GLY HA3 H 3.517 0.020 2 733 95 77 GLY C C 173.488 0.400 1 734 95 77 GLY CA C 45.704 0.400 1 735 95 77 GLY N N 110.059 0.400 1 736 96 78 GLN H H 8.478 0.020 1 737 96 78 GLN HA H 4.320 0.020 1 738 96 78 GLN HB2 H 2.069 0.020 2 739 96 78 GLN HB3 H 2.069 0.020 2 740 96 78 GLN HE21 H 6.880 0.020 2 741 96 78 GLN HE22 H 7.605 0.020 2 742 96 78 GLN HG2 H 2.288 0.020 2 743 96 78 GLN HG3 H 2.170 0.020 2 744 96 78 GLN C C 175.903 0.400 1 745 96 78 GLN CA C 54.934 0.400 1 746 96 78 GLN CB C 28.781 0.400 1 747 96 78 GLN CG C 34.117 0.400 1 748 96 78 GLN N N 121.989 0.400 1 749 96 78 GLN NE2 N 113.504 0.400 1 750 97 79 THR H H 8.128 0.020 1 751 97 79 THR HA H 4.468 0.020 1 752 97 79 THR HB H 4.351 0.020 1 753 97 79 THR HG2 H 1.140 0.020 1 754 97 79 THR C C 177.391 0.400 1 755 97 79 THR CA C 61.463 0.400 1 756 97 79 THR CB C 68.806 0.400 1 757 97 79 THR CG2 C 23.374 0.400 1 758 97 79 THR N N 112.961 0.400 1 759 98 80 LEU H H 8.188 0.020 1 760 98 80 LEU HA H 4.527 0.020 1 761 98 80 LEU HB2 H 1.613 0.020 2 762 98 80 LEU HB3 H 1.173 0.020 2 763 98 80 LEU HD1 H 1.658 0.020 2 764 98 80 LEU HD2 H 0.588 0.020 2 765 98 80 LEU HG H 0.526 0.020 1 766 98 80 LEU C C 178.438 0.400 1 767 98 80 LEU CA C 54.599 0.400 1 768 98 80 LEU CB C 43.814 0.400 1 769 98 80 LEU CD1 C 25.937 0.400 1 770 98 80 LEU CD2 C 21.713 0.400 1 771 98 80 LEU CG C 26.186 0.400 1 772 98 80 LEU N N 118.350 0.400 1 773 99 81 GLY H H 8.857 0.020 1 774 99 81 GLY HA2 H 3.981 0.020 2 775 99 81 GLY HA3 H 3.672 0.020 2 776 99 81 GLY C C 173.488 0.400 1 777 99 81 GLY CA C 46.600 0.400 1 778 99 81 GLY N N 109.079 0.400 1 779 10 82 VAL H H 6.784 0.020 1 780 10 82 VAL HA H 3.843 0.020 1 781 10 82 VAL HB H 1.296 0.020 1 782 10 82 VAL HG1 H 0.831 0.020 2 783 10 82 VAL HG2 H 0.831 0.020 2 784 10 82 VAL C C 172.523 0.400 1 785 10 82 VAL CA C 61.263 0.400 1 786 10 82 VAL CB C 35.765 0.400 1 787 10 82 VAL CG1 C 21.506 0.400 1 788 10 82 VAL N N 117.231 0.400 1 789 10 83 ASN H H 8.888 0.020 1 790 10 83 ASN HA H 5.459 0.020 1 791 10 83 ASN HB2 H 2.542 0.020 2 792 10 83 ASN HB3 H 2.409 0.020 2 793 10 83 ASN HD21 H 7.220 0.020 2 794 10 83 ASN HD22 H 6.760 0.020 2 795 10 83 ASN C C 173.529 0.400 1 796 10 83 ASN CA C 51.614 0.400 1 797 10 83 ASN CB C 42.123 0.400 1 798 10 83 ASN N N 125.399 0.400 1 799 10 83 ASN ND2 N 112.509 0.400 1 800 10 84 ILE H H 8.178 0.020 1 801 10 84 ILE HA H 4.155 0.020 1 802 10 84 ILE HB H 0.680 0.020 1 803 10 84 ILE HD1 H 0.134 0.020 1 804 10 84 ILE HG12 H 1.083 0.020 2 805 10 84 ILE HG13 H 0.421 0.020 2 806 10 84 ILE HG2 H -0.238 0.020 1 807 10 84 ILE C C 175.058 0.400 1 808 10 84 ILE CA C 60.031 0.400 1 809 10 84 ILE CB C 40.127 0.400 1 810 10 84 ILE CD1 C 13.131 0.400 1 811 10 84 ILE CG1 C 27.569 0.400 1 812 10 84 ILE CG2 C 15.482 0.400 1 813 10 84 ILE N N 118.551 0.400 1 814 10 85 ASP H H 8.055 0.020 1 815 10 85 ASP HA H 4.603 0.020 1 816 10 85 ASP HB2 H 2.903 0.020 2 817 10 85 ASP HB3 H 2.526 0.020 2 818 10 85 ASP C C 175.782 0.400 1 819 10 85 ASP CA C 51.576 0.400 1 820 10 85 ASP CB C 42.972 0.400 1 821 10 85 ASP N N 128.378 0.400 1 822 10 86 PRO HA H 4.492 0.020 1 823 10 86 PRO HB2 H 2.232 0.020 2 824 10 86 PRO HB3 H 2.037 0.020 2 825 10 86 PRO HD2 H 3.823 0.020 2 826 10 86 PRO HD3 H 3.757 0.020 2 827 10 86 PRO HG2 H 1.917 0.020 2 828 10 86 PRO HG3 H 1.917 0.020 2 829 10 86 PRO C C 176.305 0.400 1 830 10 86 PRO CA C 64.430 0.400 1 831 10 86 PRO CB C 32.062 0.400 1 832 10 86 PRO CD C 50.705 0.400 1 833 10 86 PRO CG C 27.175 0.400 1 834 10 87 GLN H H 8.438 0.020 1 835 10 87 GLN HA H 4.342 0.020 1 836 10 87 GLN HB2 H 2.076 0.020 2 837 10 87 GLN HB3 H 2.015 0.020 2 838 10 87 GLN HE21 H 7.533 0.020 2 839 10 87 GLN HE22 H 6.813 0.020 2 840 10 87 GLN HG2 H 2.290 0.020 2 841 10 87 GLN HG3 H 2.216 0.020 2 842 10 87 GLN C C 177.150 0.400 1 843 10 87 GLN CA C 57.409 0.400 1 844 10 87 GLN CB C 29.945 0.400 1 845 10 87 GLN CG C 34.486 0.400 1 846 10 87 GLN N N 115.676 0.400 1 847 10 87 GLN NE2 N 112.207 0.400 1 848 106 88 THR H H 8.071 0.020 1 849 106 88 THR HA H 4.025 0.020 1 850 106 88 THR HB H 4.216 0.020 1 851 106 88 THR HG2 H 1.060 0.020 1 852 106 88 THR C C 175.581 0.400 1 853 106 88 THR CA C 61.553 0.400 1 854 106 88 THR CB C 70.776 0.400 1 855 106 88 THR CG2 C 21.124 0.400 1 856 106 88 THR N N 107.550 0.400 1 857 107 89 PHE H H 8.387 0.020 1 858 107 89 PHE HA H 4.189 0.020 1 859 107 89 PHE HB2 H 3.417 0.020 2 860 107 89 PHE HB3 H 3.287 0.020 2 861 107 89 PHE HD1 H 7.240 0.020 1 862 107 89 PHE HD2 H 7.240 0.020 1 863 107 89 PHE HE1 H 7.443 0.020 1 864 107 89 PHE HE2 H 7.443 0.020 1 865 107 89 PHE C C 174.092 0.400 1 866 107 89 PHE CA C 57.318 0.400 1 867 107 89 PHE CB C 35.057 0.400 1 868 107 89 PHE N N 117.991 0.400 1 869 108 90 LYS H H 7.400 0.020 1 870 108 90 LYS HA H 4.178 0.020 1 871 108 90 LYS HB2 H 1.556 0.020 2 872 108 90 LYS HB3 H 1.556 0.020 2 873 108 90 LYS HD2 H 1.583 0.020 2 874 108 90 LYS HD3 H 1.583 0.020 2 875 108 90 LYS HE2 H 2.900 0.020 2 876 108 90 LYS HE3 H 2.900 0.020 2 877 108 90 LYS HG2 H 1.359 0.020 2 878 108 90 LYS HG3 H 1.315 0.020 2 879 108 90 LYS C C 177.351 0.400 1 880 108 90 LYS CA C 56.539 0.400 1 881 108 90 LYS CB C 32.889 0.400 1 882 108 90 LYS CD C 29.024 0.400 1 883 108 90 LYS CE C 42.217 0.400 1 884 108 90 LYS CG C 24.822 0.400 1 885 108 90 LYS N N 117.417 0.400 1 886 109 91 LEU H H 8.623 0.020 1 887 109 91 LEU HA H 4.877 0.020 1 888 109 91 LEU HB2 H 1.872 0.020 2 889 109 91 LEU HB3 H 1.623 0.020 2 890 109 91 LEU HD1 H 0.742 0.020 2 891 109 91 LEU HD2 H 0.816 0.020 2 892 109 91 LEU HG H 1.575 0.020 1 893 109 91 LEU C C 179.363 0.400 1 894 109 91 LEU CA C 55.643 0.400 1 895 109 91 LEU CB C 43.645 0.400 1 896 109 91 LEU CD1 C 25.572 0.400 1 897 109 91 LEU CD2 C 24.325 0.400 1 898 109 91 LEU CG C 30.728 0.400 1 899 109 91 LEU N N 127.155 0.400 1 900 110 92 SER H H 8.819 0.020 1 901 110 92 SER HA H 4.153 0.020 1 902 110 92 SER HB2 H 4.211 0.020 2 903 110 92 SER HB3 H 3.822 0.020 2 904 110 92 SER C C 173.529 0.400 1 905 110 92 SER CA C 60.002 0.400 1 906 110 92 SER CB C 63.396 0.400 1 907 110 92 SER N N 116.103 0.400 1 908 111 93 GLY H H 7.101 0.020 1 909 111 93 GLY HA2 H 4.090 0.020 2 910 111 93 GLY HA3 H 3.822 0.020 2 911 111 93 GLY C C 171.235 0.400 1 912 111 93 GLY CA C 43.824 0.400 1 913 111 93 GLY N N 108.972 0.400 1 914 112 94 ALA H H 8.265 0.020 1 915 112 94 ALA HA H 4.042 0.020 1 916 112 94 ALA HB H 1.225 0.020 1 917 112 94 ALA C C 177.167 0.400 1 918 112 94 ALA CA C 51.967 0.400 1 919 112 94 ALA CB C 18.589 0.400 1 920 112 94 ALA N N 122.207 0.400 1 921 113 95 MET H H 8.474 0.020 1 922 113 95 MET HA H 4.286 0.020 1 923 113 95 MET HB2 H 1.817 0.020 2 924 113 95 MET HB3 H 1.945 0.020 2 925 113 95 MET HE H 1.816 0.020 1 926 113 95 MET HG2 H 2.346 0.020 2 927 113 95 MET HG3 H 2.346 0.020 2 928 113 95 MET C C 174.897 0.400 1 929 113 95 MET CA C 52.692 0.400 1 930 113 95 MET CB C 31.566 0.400 1 931 113 95 MET CE C 17.245 0.400 1 932 113 95 MET CG C 31.592 0.400 1 933 113 95 MET N N 121.349 0.400 1 934 114 96 PRO HA H 4.365 0.020 1 935 114 96 PRO HB2 H 2.490 0.020 2 936 114 96 PRO HB3 H 2.490 0.020 2 937 114 96 PRO HD2 H 4.127 0.020 2 938 114 96 PRO HD3 H 3.475 0.020 2 939 114 96 PRO HG2 H 1.849 0.020 2 940 114 96 PRO HG3 H 1.692 0.020 2 941 114 96 PRO CA C 62.772 0.400 1 942 114 96 PRO CB C 33.260 0.400 1 943 114 96 PRO CD C 51.169 0.400 1 944 114 96 PRO CG C 27.722 0.400 1 945 115 97 ALA H H 9.036 0.020 1 946 115 97 ALA HA H 4.080 0.020 1 947 115 97 ALA HB H 1.460 0.020 1 948 115 97 ALA CA C 54.969 0.400 1 949 115 97 ALA CB C 18.710 0.400 1 950 115 97 ALA N N 127.160 0.400 1 951 116 98 THR H H 7.599 0.020 1 952 116 98 THR HA H 4.496 0.020 1 953 116 98 THR HB H 4.622 0.020 1 954 116 98 THR HG2 H 1.089 0.020 1 955 116 98 THR C C 173.690 0.400 1 956 116 98 THR CA C 60.479 0.400 1 957 116 98 THR CB C 67.821 0.400 1 958 116 98 THR CG2 C 21.924 0.400 1 959 116 98 THR N N 103.337 0.400 1 960 117 99 ALA H H 6.899 0.020 1 961 117 99 ALA HA H 3.744 0.020 1 962 117 99 ALA HB H 1.146 0.020 1 963 117 99 ALA C C 177.351 0.400 1 964 117 99 ALA CA C 52.688 0.400 1 965 117 99 ALA CB C 21.618 0.400 1 966 117 99 ALA N N 120.383 0.400 1 967 118 100 MET H H 9.088 0.020 1 968 118 100 MET HA H 4.515 0.020 1 969 118 100 MET HB2 H 1.970 0.020 2 970 118 100 MET HB3 H 1.303 0.020 2 971 118 100 MET HE H 0.323 0.020 1 972 118 100 MET HG2 H 2.099 0.020 2 973 118 100 MET HG3 H 1.818 0.020 2 974 118 100 MET C C 171.638 0.400 1 975 118 100 MET CA C 56.270 0.400 1 976 118 100 MET CB C 31.243 0.400 1 977 118 100 MET CE C 17.047 0.400 1 978 118 100 MET CG C 33.263 0.400 1 979 118 100 MET N N 123.008 0.400 1 980 119 101 LYS H H 7.767 0.020 1 981 119 101 LYS HA H 6.106 0.020 1 982 119 101 LYS HB2 H 2.303 0.020 2 983 119 101 LYS HB3 H 1.583 0.020 2 984 119 101 LYS HD2 H 1.598 0.020 2 985 119 101 LYS HD3 H 1.505 0.020 2 986 119 101 LYS HE2 H 2.975 0.020 2 987 119 101 LYS HE3 H 2.975 0.020 2 988 119 101 LYS HG2 H 1.469 0.020 2 989 119 101 LYS HG3 H 1.283 0.020 2 990 119 101 LYS C C 174.816 0.400 1 991 119 101 LYS CA C 53.226 0.400 1 992 119 101 LYS CB C 35.662 0.400 1 993 119 101 LYS CD C 29.599 0.400 1 994 119 101 LYS CE C 42.932 0.400 1 995 119 101 LYS CG C 23.420 0.400 1 996 119 101 LYS N N 124.758 0.400 1 997 120 102 LYS H H 9.099 0.020 1 998 120 102 LYS HA H 4.206 0.020 1 999 120 102 LYS HB2 H 1.112 0.020 2 1000 120 102 LYS HB3 H 0.988 0.020 2 1001 120 102 LYS HD2 H 1.093 0.020 2 1002 120 102 LYS HD3 H 1.093 0.020 2 1003 120 102 LYS HE2 H 2.876 0.020 2 1004 120 102 LYS HE3 H 2.876 0.020 2 1005 120 102 LYS HG2 H 1.077 0.020 2 1006 120 102 LYS HG3 H 1.077 0.020 2 1007 120 102 LYS C C 174.213 0.400 1 1008 120 102 LYS CA C 56.897 0.400 1 1009 120 102 LYS CB C 37.108 0.400 1 1010 120 102 LYS CD C 28.557 0.400 1 1011 120 102 LYS CE C 42.170 0.400 1 1012 120 102 LYS CG C 24.771 0.400 1 1013 120 102 LYS N N 123.717 0.400 1 1014 121 103 LEU H H 8.007 0.020 1 1015 121 103 LEU HA H 4.955 0.020 1 1016 121 103 LEU HB2 H 1.618 0.020 2 1017 121 103 LEU HB3 H 1.114 0.020 2 1018 121 103 LEU HD1 H 0.839 0.020 2 1019 121 103 LEU HD2 H 0.839 0.020 2 1020 121 103 LEU HG H 0.882 0.020 1 1021 121 103 LEU C C 179.122 0.400 1 1022 121 103 LEU CA C 53.689 0.400 1 1023 121 103 LEU CB C 44.092 0.400 1 1024 121 103 LEU CD1 C 24.245 0.400 1 1025 121 103 LEU CG C 25.922 0.400 1 1026 121 103 LEU N N 123.009 0.400 1 1027 122 104 THR H H 9.513 0.020 1 1028 122 104 THR HA H 3.633 0.020 1 1029 122 104 THR HB H 4.889 0.020 1 1030 122 104 THR HG1 H 5.800 0.020 1 1031 122 104 THR HG2 H 1.667 0.020 1 1032 122 104 THR C C 176.868 0.400 1 1033 122 104 THR CA C 63.165 0.400 1 1034 122 104 THR CB C 69.640 0.400 1 1035 122 104 THR CG2 C 25.437 0.400 1 1036 122 104 THR N N 112.083 0.400 1 1037 123 105 GLU H H 7.327 0.020 1 1038 123 105 GLU HA H 4.515 0.020 1 1039 123 105 GLU HB2 H 2.447 0.020 2 1040 123 105 GLU HB3 H 1.964 0.020 2 1041 123 105 GLU HG2 H 2.344 0.020 2 1042 123 105 GLU HG3 H 2.270 0.020 2 1043 123 105 GLU C C 176.184 0.400 1 1044 123 105 GLU CA C 55.678 0.400 1 1045 123 105 GLU CB C 30.393 0.400 1 1046 123 105 GLU CG C 37.259 0.400 1 1047 123 105 GLU N N 125.216 0.400 1 1048 124 106 ALA H H 8.474 0.020 1 1049 124 106 ALA HA H 3.877 0.020 1 1050 124 106 ALA HB H 1.398 0.020 1 1051 124 106 ALA C C 178.317 0.400 1 1052 124 106 ALA CA C 55.543 0.400 1 1053 124 106 ALA CB C 18.126 0.400 1 1054 124 106 ALA N N 121.874 0.400 1 1055 125 107 GLU H H 7.589 0.020 1 1056 125 107 GLU HA H 4.625 0.020 1 1057 125 107 GLU HB2 H 2.311 0.020 2 1058 125 107 GLU HB3 H 1.728 0.020 2 1059 125 107 GLU HG2 H 2.063 0.020 2 1060 125 107 GLU HG3 H 2.063 0.020 2 1061 125 107 GLU C C 176.345 0.400 1 1062 125 107 GLU CA C 54.520 0.400 1 1063 125 107 GLU CB C 29.229 0.400 1 1064 125 107 GLU CG C 36.755 0.400 1 1065 125 107 GLU N N 110.339 0.400 1 1066 126 108 GLY H H 7.156 0.020 1 1067 126 108 GLY HA2 H 4.117 0.020 2 1068 126 108 GLY HA3 H 3.728 0.020 2 1069 126 108 GLY C C 175.299 0.400 1 1070 126 108 GLY CA C 44.303 0.400 1 1071 126 108 GLY N N 106.163 0.400 1 1072 127 109 ALA H H 8.935 0.020 1 1073 127 109 ALA HA H 4.499 0.020 1 1074 127 109 ALA HB H 0.910 0.020 1 1075 127 109 ALA C C 173.327 0.400 1 1076 127 109 ALA CA C 50.271 0.400 1 1077 127 109 ALA CB C 19.648 0.400 1 1078 127 109 ALA N N 124.852 0.400 1 1079 128 110 LYS H H 8.673 0.020 1 1080 128 110 LYS HA H 4.295 0.020 1 1081 128 110 LYS HB2 H 1.294 0.020 2 1082 128 110 LYS HB3 H 1.594 0.020 2 1083 128 110 LYS HD2 H 1.383 0.020 2 1084 128 110 LYS HD3 H 1.383 0.020 2 1085 128 110 LYS HE2 H 2.828 0.020 2 1086 128 110 LYS HE3 H 2.828 0.020 2 1087 128 110 LYS HG2 H 1.586 0.020 2 1088 128 110 LYS HG3 H 1.586 0.020 2 1089 128 110 LYS C C 174.454 0.400 1 1090 128 110 LYS CA C 56.147 0.400 1 1091 128 110 LYS CB C 33.030 0.400 1 1092 128 110 LYS CD C 29.010 0.400 1 1093 128 110 LYS CE C 42.044 0.400 1 1094 128 110 LYS CG C 24.747 0.400 1 1095 128 110 LYS N N 126.239 0.400 1 1096 129 111 PHE H H 9.122 0.020 1 1097 129 111 PHE HA H 4.272 0.020 1 1098 129 111 PHE HB2 H 3.035 0.020 2 1099 129 111 PHE HB3 H 2.121 0.020 2 1100 129 111 PHE HD1 H 7.010 0.020 1 1101 129 111 PHE HD2 H 7.010 0.020 1 1102 129 111 PHE HE1 H 7.584 0.020 1 1103 129 111 PHE HE2 H 7.584 0.020 1 1104 129 111 PHE HZ H 6.159 0.020 1 1105 129 111 PHE C C 174.937 0.400 1 1106 129 111 PHE CA C 57.703 0.400 1 1107 129 111 PHE CB C 39.795 0.400 1 1108 129 111 PHE N N 126.389 0.400 1 1109 130 112 ASN H H 8.721 0.020 1 1110 130 112 ASN HA H 4.676 0.020 1 1111 130 112 ASN HB2 H 3.008 0.020 2 1112 130 112 ASN HB3 H 2.659 0.020 2 1113 130 112 ASN HD21 H 6.568 0.020 2 1114 130 112 ASN HD22 H 7.381 0.020 2 1115 130 112 ASN CA C 52.859 0.400 1 1116 130 112 ASN CB C 37.837 0.400 1 1117 130 112 ASN N N 120.938 0.400 1 1118 130 112 ASN ND2 N 110.327 0.400 1 1119 131 113 THR H H 7.857 0.020 1 1120 131 113 THR HA H 3.905 0.020 1 1121 131 113 THR HB H 4.204 0.020 1 1122 131 113 THR HG2 H 0.357 0.020 1 1123 131 113 THR C C 176.305 0.400 1 1124 131 113 THR CA C 61.553 0.400 1 1125 131 113 THR CB C 67.463 0.400 1 1126 131 113 THR CG2 C 21.881 0.400 1 1127 131 113 THR N N 116.959 0.400 1 1128 132 114 ALA H H 8.092 0.020 1 1129 132 114 ALA HA H 3.775 0.020 1 1130 132 114 ALA HB H 1.413 0.020 1 1131 132 114 ALA C C 177.110 0.400 1 1132 132 114 ALA CA C 55.247 0.400 1 1133 132 114 ALA CB C 19.111 0.400 1 1134 132 114 ALA N N 125.534 0.400 1 1135 133 115 ASN H H 8.571 0.020 1 1136 133 115 ASN HA H 4.735 0.020 1 1137 133 115 ASN HB2 H 2.988 0.020 2 1138 133 115 ASN HB3 H 2.468 0.020 2 1139 133 115 ASN HD21 H 6.631 0.020 2 1140 133 115 ASN HD22 H 7.282 0.020 2 1141 133 115 ASN C C 174.374 0.400 1 1142 133 115 ASN CA C 51.883 0.400 1 1143 133 115 ASN CB C 39.257 0.400 1 1144 133 115 ASN N N 112.358 0.400 1 1145 133 115 ASN ND2 N 112.464 0.400 1 1146 134 116 LEU H H 6.966 0.020 1 1147 134 116 LEU HA H 4.247 0.020 1 1148 134 116 LEU HB2 H 1.372 0.020 2 1149 134 116 LEU HB3 H 1.002 0.020 2 1150 134 116 LEU HD1 H 0.236 0.020 2 1151 134 116 LEU HD2 H -0.380 0.020 2 1152 134 116 LEU HG H 1.021 0.020 1 1153 134 116 LEU CA C 52.151 0.400 1 1154 134 116 LEU CB C 41.406 0.400 1 1155 134 116 LEU CD1 C 23.252 0.400 1 1156 134 116 LEU CD2 C 25.688 0.400 1 1157 134 116 LEU CG C 26.189 0.400 1 1158 134 116 LEU N N 120.121 0.400 1 1159 135 117 PRO HA H 4.473 0.020 1 1160 135 117 PRO HB2 H 2.280 0.020 2 1161 135 117 PRO HB3 H 1.712 0.020 2 1162 135 117 PRO HD2 H 4.001 0.020 2 1163 135 117 PRO HD3 H 3.529 0.020 2 1164 135 117 PRO HG2 H 1.952 0.020 2 1165 135 117 PRO HG3 H 1.890 0.020 2 1166 135 117 PRO C C 176.506 0.400 1 1167 135 117 PRO CA C 61.550 0.400 1 1168 135 117 PRO CB C 33.180 0.400 1 1169 135 117 PRO CD C 50.789 0.400 1 1170 135 117 PRO CG C 27.343 0.400 1 1171 136 118 ALA H H 8.357 0.020 1 1172 136 118 ALA HA H 4.063 0.020 1 1173 136 118 ALA HB H 1.322 0.020 1 1174 136 118 ALA C C 176.748 0.400 1 1175 136 118 ALA CA C 53.886 0.400 1 1176 136 118 ALA CB C 18.036 0.400 1 1177 136 118 ALA N N 123.890 0.400 1 1178 137 119 ALA H H 8.058 0.020 1 1179 137 119 ALA HA H 4.263 0.020 1 1180 137 119 ALA HB H 1.146 0.020 1 1181 137 119 ALA C C 174.414 0.400 1 1182 137 119 ALA CA C 51.524 0.400 1 1183 137 119 ALA CB C 19.016 0.400 1 1184 137 119 ALA N N 125.590 0.400 1 1185 138 120 LYS H H 7.664 0.020 1 1186 138 120 LYS HA H 4.814 0.020 1 1187 138 120 LYS HB2 H 1.640 0.020 2 1188 138 120 LYS HB3 H 1.376 0.020 2 1189 138 120 LYS HD2 H 1.497 0.020 2 1190 138 120 LYS HD3 H 1.497 0.020 2 1191 138 120 LYS HE2 H 2.797 0.020 2 1192 138 120 LYS HE3 H 2.797 0.020 2 1193 138 120 LYS HG2 H 1.298 0.020 2 1194 138 120 LYS HG3 H 1.124 0.020 2 1195 138 120 LYS C C 174.052 0.400 1 1196 138 120 LYS CA C 55.996 0.400 1 1197 138 120 LYS CB C 34.064 0.400 1 1198 138 120 LYS CD C 29.225 0.400 1 1199 138 120 LYS CE C 42.103 0.400 1 1200 138 120 LYS CG C 25.785 0.400 1 1201 138 120 LYS N N 117.233 0.400 1 1202 139 121 TYR H H 8.924 0.020 1 1203 139 121 TYR HA H 4.716 0.020 1 1204 139 121 TYR HB2 H 3.367 0.020 2 1205 139 121 TYR HB3 H 2.322 0.020 2 1206 139 121 TYR HD1 H 6.858 0.020 1 1207 139 121 TYR HD2 H 6.858 0.020 1 1208 139 121 TYR HE1 H 6.646 0.020 1 1209 139 121 TYR HE2 H 6.687 0.020 1 1210 139 121 TYR HH H 9.895 0.020 1 1211 139 121 TYR C C 174.333 0.400 1 1212 139 121 TYR CA C 57.512 0.400 1 1213 139 121 TYR CB C 43.908 0.400 1 1214 139 121 TYR N N 119.108 0.400 1 1215 140 122 LYS H H 8.412 0.020 1 1216 140 122 LYS HA H 5.166 0.020 1 1217 140 122 LYS HB2 H 1.826 0.020 2 1218 140 122 LYS HB3 H 1.042 0.020 2 1219 140 122 LYS HD2 H 1.638 0.020 2 1220 140 122 LYS HD3 H 1.459 0.020 2 1221 140 122 LYS HE2 H 2.760 0.020 2 1222 140 122 LYS HE3 H 2.760 0.020 2 1223 140 122 LYS HG2 H 0.993 0.020 2 1224 140 122 LYS HG3 H 0.993 0.020 2 1225 140 122 LYS CA C 54.093 0.400 1 1226 140 122 LYS CB C 36.200 0.400 1 1227 140 122 LYS CD C 30.122 0.400 1 1228 140 122 LYS CE C 42.583 0.400 1 1229 140 122 LYS CG C 25.968 0.400 1 1230 140 122 LYS N N 118.315 0.400 1 1231 141 123 ILE H H 8.151 0.020 1 1232 141 123 ILE HA H 4.288 0.020 1 1233 141 123 ILE HB H 1.016 0.020 1 1234 141 123 ILE HD1 H -0.526 0.020 1 1235 141 123 ILE HG12 H 0.056 0.020 2 1236 141 123 ILE HG13 H -1.658 0.020 2 1237 141 123 ILE HG2 H 0.218 0.020 1 1238 141 123 ILE C C 176.144 0.400 1 1239 141 123 ILE CA C 59.847 0.400 1 1240 141 123 ILE CB C 39.387 0.400 1 1241 141 123 ILE CD1 C 13.981 0.400 1 1242 141 123 ILE CG1 C 24.486 0.400 1 1243 141 123 ILE CG2 C 18.856 0.400 1 1244 141 123 ILE N N 117.226 0.400 1 1245 142 124 TYR H H 9.315 0.020 1 1246 142 124 TYR HA H 4.297 0.020 1 1247 142 124 TYR HB2 H 2.476 0.020 2 1248 142 124 TYR HB3 H 2.337 0.020 2 1249 142 124 TYR HD1 H 6.511 0.020 1 1250 142 124 TYR HD2 H 6.511 0.020 1 1251 142 124 TYR HE1 H 6.694 0.020 1 1252 142 124 TYR HE2 H 6.694 0.020 1 1253 142 124 TYR CA C 58.131 0.400 1 1254 142 124 TYR CB C 42.391 0.400 1 1255 142 124 TYR N N 126.083 0.400 1 1256 143 125 GLU HA H 4.141 0.020 1 1257 143 125 GLU HB2 H 1.716 0.020 2 1258 143 125 GLU HB3 H 1.589 0.020 2 1259 143 125 GLU HG2 H 1.330 0.020 2 1260 143 125 GLU HG3 H 1.408 0.020 2 1261 143 125 GLU CA C 54.570 0.400 1 1262 143 125 GLU CB C 31.041 0.400 1 1263 143 125 GLU CG C 35.336 0.400 1 1264 144 126 ILE H H 8.254 0.020 1 1265 144 126 ILE HA H 4.394 0.020 1 1266 144 126 ILE HB H 1.703 0.020 1 1267 144 126 ILE HD1 H 0.586 0.020 1 1268 144 126 ILE HG12 H 1.331 0.020 2 1269 144 126 ILE HG13 H 0.884 0.020 2 1270 144 126 ILE HG2 H 0.789 0.020 1 1271 144 126 ILE CA C 56.698 0.400 1 1272 144 126 ILE CB C 35.946 0.400 1 1273 144 126 ILE CD1 C 9.643 0.400 1 1274 144 126 ILE CG1 C 26.468 0.400 1 1275 144 126 ILE CG2 C 17.718 0.400 1 1276 144 126 ILE N N 126.291 0.400 1 1277 145 127 HIS HA H 4.420 0.020 1 1278 145 127 HIS HB2 H 3.070 0.020 2 1279 145 127 HIS HB3 H 3.070 0.020 2 1280 145 127 HIS HD2 H 6.620 0.020 1 1281 145 127 HIS HE1 H 7.586 0.020 1 1282 146 128 SER HA H 4.204 0.020 1 1283 146 128 SER HB2 H 3.883 0.020 2 1284 146 128 SER HB3 H 3.839 0.020 2 1285 146 128 SER C C 174.655 0.400 1 1286 146 128 SER CA C 60.484 0.400 1 1287 146 128 SER CB C 62.294 0.400 1 1288 147 129 LEU H H 6.681 0.020 1 1289 147 129 LEU HA H 4.594 0.020 1 1290 147 129 LEU HB2 H 1.721 0.020 2 1291 147 129 LEU HB3 H 1.178 0.020 2 1292 147 129 LEU HD1 H 0.798 0.020 2 1293 147 129 LEU HD2 H 0.777 0.020 2 1294 147 129 LEU HG H 1.492 0.020 1 1295 147 129 LEU CA C 53.942 0.400 1 1296 147 129 LEU CB C 44.272 0.400 1 1297 147 129 LEU CD1 C 22.259 0.400 1 1298 147 129 LEU CD2 C 26.190 0.400 1 1299 147 129 LEU CG C 26.662 0.400 1 1300 147 129 LEU N N 119.056 0.400 1 1301 150 132 TYR HA H 4.253 0.020 1 1302 150 132 TYR HB2 H 2.419 0.020 2 1303 150 132 TYR HB3 H 3.080 0.020 2 1304 150 132 TYR HD1 H 6.915 0.020 1 1305 150 132 TYR HD2 H 6.915 0.020 1 1306 150 132 TYR HE1 H 6.470 0.020 1 1307 150 132 TYR HE2 H 6.470 0.020 1 1308 150 132 TYR CA C 59.035 0.400 1 1309 150 132 TYR CB C 38.519 0.400 1 1310 151 133 VAL H H 7.625 0.020 1 1311 151 133 VAL HA H 3.910 0.020 1 1312 151 133 VAL HB H 1.721 0.020 1 1313 151 133 VAL HG1 H 0.745 0.020 2 1314 151 133 VAL C C 175.900 0.400 1 1315 151 133 VAL CA C 61.330 0.400 1 1316 151 133 VAL CB C 33.807 0.400 1 1317 151 133 VAL CG1 C 20.788 0.400 1 1318 152 134 GLY H H 8.073 0.020 1 1319 152 134 GLY HA2 H 3.903 0.020 2 1320 152 134 GLY HA3 H 3.790 0.020 2 1321 152 134 GLY C C 174.172 0.400 1 1322 152 134 GLY CA C 44.533 0.400 1 1323 152 134 GLY N N 111.557 0.400 1 1324 153 135 GLU H H 8.395 0.020 1 1325 153 135 GLU HA H 4.095 0.020 1 1326 153 135 GLU HB2 H 1.989 0.020 2 1327 153 135 GLU HB3 H 1.877 0.020 2 1328 153 135 GLU HG2 H 2.212 0.020 2 1329 153 135 GLU HG3 H 2.212 0.020 2 1330 153 135 GLU C C 176.546 0.400 1 1331 153 135 GLU CA C 57.503 0.400 1 1332 153 135 GLU CB C 30.035 0.400 1 1333 153 135 GLU CG C 36.167 0.400 1 1334 153 135 GLU N N 120.371 0.400 1 1335 154 136 ASP H H 8.421 0.020 1 1336 154 136 ASP HA H 4.408 0.020 1 1337 154 136 ASP HB2 H 2.742 0.020 2 1338 154 136 ASP HB3 H 2.594 0.020 2 1339 154 136 ASP C C 176.748 0.400 1 1340 154 136 ASP CA C 53.899 0.400 1 1341 154 136 ASP CB C 40.242 0.400 1 1342 154 136 ASP N N 118.126 0.400 1 1343 155 137 GLY H H 8.124 0.020 1 1344 155 137 GLY HA2 H 4.027 0.020 2 1345 155 137 GLY HA3 H 3.507 0.020 2 1346 155 137 GLY C C 173.971 0.400 1 1347 155 137 GLY CA C 45.615 0.400 1 1348 155 137 GLY N N 108.407 0.400 1 1349 156 138 ALA H H 7.789 0.020 1 1350 156 138 ALA HA H 4.373 0.020 1 1351 156 138 ALA HB H 1.319 0.020 1 1352 156 138 ALA C C 177.593 0.400 1 1353 156 138 ALA CA C 52.420 0.400 1 1354 156 138 ALA CB C 19.111 0.400 1 1355 156 138 ALA N N 123.548 0.400 1 1356 157 139 THR H H 8.095 0.020 1 1357 157 139 THR HA H 4.464 0.020 1 1358 157 139 THR HB H 4.294 0.020 1 1359 157 139 THR HG2 H 1.165 0.020 1 1360 157 139 THR C C 174.857 0.400 1 1361 157 139 THR CA C 61.287 0.400 1 1362 157 139 THR CB C 70.238 0.400 1 1363 157 139 THR CG2 C 21.713 0.400 1 1364 157 139 THR N N 113.031 0.400 1 1365 158 140 LEU H H 8.663 0.020 1 1366 158 140 LEU HA H 4.203 0.020 1 1367 158 140 LEU HB2 H 1.172 0.020 2 1368 158 140 LEU HB3 H 1.172 0.020 2 1369 158 140 LEU HD1 H 0.657 0.020 2 1370 158 140 LEU HD2 H 0.633 0.020 2 1371 158 140 LEU HG H 0.658 0.020 1 1372 158 140 LEU C C 177.470 0.400 1 1373 158 140 LEU CA C 55.417 0.400 1 1374 158 140 LEU CB C 42.000 0.400 1 1375 158 140 LEU CD1 C 25.571 0.400 1 1376 158 140 LEU CD2 C 23.469 0.400 1 1377 158 140 LEU CG C 26.772 0.400 1 1378 158 140 LEU N N 122.167 0.400 1 1379 159 141 THR H H 7.914 0.020 1 1380 159 141 THR HA H 4.697 0.020 1 1381 159 141 THR HB H 4.064 0.020 1 1382 159 141 THR HG2 H 1.131 0.020 1 1383 159 141 THR CA C 63.295 0.400 1 1384 159 141 THR CB C 69.132 0.400 1 1385 159 141 THR CG2 C 21.717 0.400 1 1386 159 141 THR N N 113.457 0.400 1 1387 160 142 GLY C C 173.770 0.400 1 1388 160 142 GLY CA C 45.525 0.400 1 1389 161 143 SER H H 7.902 0.020 1 1390 161 143 SER HA H 3.754 0.020 1 1391 161 143 SER HB2 H 3.798 0.020 2 1392 161 143 SER HB3 H 3.798 0.020 2 1393 161 143 SER C C 173.690 0.400 1 1394 161 143 SER CA C 57.882 0.400 1 1395 161 143 SER CB C 64.896 0.400 1 1396 161 143 SER N N 115.983 0.400 1 1397 162 144 LYS H H 8.392 0.020 1 1398 162 144 LYS HA H 4.247 0.020 1 1399 162 144 LYS HB2 H 1.662 0.020 2 1400 162 144 LYS HB3 H 1.662 0.020 2 1401 162 144 LYS HD2 H 1.422 0.020 2 1402 162 144 LYS HD3 H 1.422 0.020 2 1403 162 144 LYS HE2 H 2.711 0.020 2 1404 162 144 LYS HE3 H 2.711 0.020 2 1405 162 144 LYS HG2 H 0.958 0.020 2 1406 162 144 LYS HG3 H 0.958 0.020 2 1407 162 144 LYS C C 175.742 0.400 1 1408 162 144 LYS CA C 56.225 0.400 1 1409 162 144 LYS CB C 33.168 0.400 1 1410 162 144 LYS CD C 29.485 0.400 1 1411 162 144 LYS CE C 42.103 0.400 1 1412 162 144 LYS CG C 24.978 0.400 1 1413 162 144 LYS N N 122.576 0.400 1 1414 163 145 ALA H H 8.365 0.020 1 1415 163 145 ALA HA H 4.506 0.020 1 1416 163 145 ALA HB H 1.104 0.020 1 1417 163 145 ALA C C 176.587 0.400 1 1418 163 145 ALA CA C 51.536 0.400 1 1419 163 145 ALA CB C 19.693 0.400 1 1420 163 145 ALA N N 127.244 0.400 1 1421 164 146 VAL H H 8.198 0.020 1 1422 164 146 VAL HA H 4.486 0.020 1 1423 164 146 VAL HB H 2.028 0.020 1 1424 164 146 VAL HG1 H 0.937 0.020 2 1425 164 146 VAL HG2 H 0.812 0.020 2 1426 164 146 VAL CA C 59.667 0.400 1 1427 164 146 VAL CB C 33.381 0.400 1 1428 164 146 VAL CG1 C 20.809 0.400 1 1429 164 146 VAL CG2 C 20.537 0.400 1 1430 164 146 VAL N N 120.303 0.400 1 1431 165 147 PRO HA H 4.198 0.020 1 1432 165 147 PRO HB2 H 1.107 0.020 2 1433 165 147 PRO HB3 H 0.825 0.020 2 1434 165 147 PRO HD2 H 3.786 0.020 2 1435 165 147 PRO HD3 H 3.662 0.020 2 1436 165 147 PRO HG2 H 1.864 0.020 2 1437 165 147 PRO HG3 H 1.624 0.020 2 1438 165 147 PRO CA C 62.886 0.400 1 1439 165 147 PRO CB C 30.798 0.400 1 1440 165 147 PRO CD C 50.986 0.400 1 1441 165 147 PRO CG C 28.126 0.400 1 1442 166 148 ILE H H 8.146 0.020 1 1443 166 148 ILE HA H 3.967 0.020 1 1444 166 148 ILE HB H 1.424 0.020 1 1445 166 148 ILE HD1 H 0.457 0.020 1 1446 166 148 ILE HG12 H 1.522 0.020 2 1447 166 148 ILE HG13 H 0.874 0.020 2 1448 166 148 ILE HG2 H 0.486 0.020 1 1449 166 148 ILE C C 174.615 0.400 1 1450 166 148 ILE CA C 60.037 0.400 1 1451 166 148 ILE CB C 40.010 0.400 1 1452 166 148 ILE CD1 C 14.178 0.400 1 1453 166 148 ILE CG1 C 27.681 0.400 1 1454 166 148 ILE CG2 C 17.165 0.400 1 1455 166 148 ILE N N 123.018 0.400 1 1456 167 149 GLU H H 8.217 0.020 1 1457 167 149 GLU HA H 4.735 0.020 1 1458 167 149 GLU HB2 H 1.857 0.020 2 1459 167 149 GLU HB3 H 1.733 0.020 2 1460 167 149 GLU HG2 H 2.036 0.020 2 1461 167 149 GLU HG3 H 2.036 0.020 2 1462 167 149 GLU C C 175.098 0.400 1 1463 167 149 GLU CA C 55.334 0.400 1 1464 167 149 GLU CB C 30.930 0.400 1 1465 167 149 GLU CG C 35.897 0.400 1 1466 167 149 GLU N N 125.856 0.400 1 1467 168 150 ILE H H 8.493 0.020 1 1468 168 150 ILE HA H 4.514 0.020 1 1469 168 150 ILE HB H 1.292 0.020 1 1470 168 150 ILE HD1 H 0.567 0.020 1 1471 168 150 ILE HG12 H 1.288 0.020 2 1472 168 150 ILE HG13 H 0.708 0.020 2 1473 168 150 ILE HG2 H 0.444 0.020 1 1474 168 150 ILE C C 171.678 0.400 1 1475 168 150 ILE CA C 59.135 0.400 1 1476 168 150 ILE CB C 42.481 0.400 1 1477 168 150 ILE CD1 C 15.067 0.400 1 1478 168 150 ILE CG1 C 27.820 0.400 1 1479 168 150 ILE CG2 C 16.282 0.400 1 1480 168 150 ILE N N 122.487 0.400 1 1481 169 151 GLU H H 7.982 0.020 1 1482 169 151 GLU HA H 4.987 0.020 1 1483 169 151 GLU HB2 H 1.841 0.020 2 1484 169 151 GLU HB3 H 1.703 0.020 2 1485 169 151 GLU HG2 H 1.950 0.020 2 1486 169 151 GLU HG3 H 1.950 0.020 2 1487 169 151 GLU C C 173.810 0.400 1 1488 169 151 GLU CA C 54.658 0.400 1 1489 169 151 GLU CB C 31.736 0.400 1 1490 169 151 GLU CG C 36.207 0.400 1 1491 169 151 GLU N N 126.128 0.400 1 1492 170 152 LEU H H 8.104 0.020 1 1493 170 152 LEU HA H 4.660 0.020 1 1494 170 152 LEU HB2 H 1.775 0.020 2 1495 170 152 LEU HB3 H 1.559 0.020 2 1496 170 152 LEU HD1 H 0.830 0.020 2 1497 170 152 LEU HD2 H 0.878 0.020 2 1498 170 152 LEU HG H 1.762 0.020 1 1499 170 152 LEU C C 176.144 0.400 1 1500 170 152 LEU CA C 51.280 0.400 1 1501 170 152 LEU CB C 42.839 0.400 1 1502 170 152 LEU CD1 C 23.479 0.400 1 1503 170 152 LEU CD2 C 27.112 0.400 1 1504 170 152 LEU CG C 27.521 0.400 1 1505 170 152 LEU N N 120.279 0.400 1 1506 171 153 PRO HA H 4.272 0.020 1 1507 171 153 PRO HB2 H 2.319 0.020 2 1508 171 153 PRO HB3 H 2.085 0.020 2 1509 171 153 PRO HD2 H 3.839 0.020 2 1510 171 153 PRO HD3 H 3.317 0.020 2 1511 171 153 PRO HG2 H 2.042 0.020 2 1512 171 153 PRO HG3 H 1.921 0.020 2 1513 171 153 PRO C C 175.339 0.400 1 1514 171 153 PRO CA C 62.979 0.400 1 1515 171 153 PRO CB C 34.742 0.400 1 1516 171 153 PRO CD C 50.074 0.400 1 1517 171 153 PRO CG C 24.411 0.400 1 1518 172 154 LEU H H 8.664 0.020 1 1519 172 154 LEU HA H 4.512 0.020 1 1520 172 154 LEU HB2 H 1.737 0.020 2 1521 172 154 LEU HB3 H 1.358 0.020 2 1522 172 154 LEU HD1 H 0.800 0.020 2 1523 172 154 LEU HD2 H 0.800 0.020 2 1524 172 154 LEU HG H 1.683 0.020 1 1525 172 154 LEU C C 174.857 0.400 1 1526 172 154 LEU CA C 53.798 0.400 1 1527 172 154 LEU CB C 41.317 0.400 1 1528 172 154 LEU CD1 C 25.257 0.400 1 1529 172 154 LEU CG C 28.099 0.400 1 1530 172 154 LEU N N 124.554 0.400 1 1531 173 155 ASN H H 8.258 0.020 1 1532 173 155 ASN HA H 4.132 0.020 1 1533 173 155 ASN HB2 H 2.824 0.020 2 1534 173 155 ASN HB3 H 2.782 0.020 2 1535 173 155 ASN HD21 H 7.511 0.020 2 1536 173 155 ASN HD22 H 6.976 0.020 2 1537 173 155 ASN C C 174.293 0.400 1 1538 173 155 ASN CA C 54.892 0.400 1 1539 173 155 ASN CB C 37.914 0.400 1 1540 173 155 ASN N N 120.487 0.400 1 1541 173 155 ASN ND2 N 113.868 0.400 1 1542 174 156 ASP H H 8.365 0.020 1 1543 174 156 ASP HA H 4.432 0.020 1 1544 174 156 ASP HB2 H 2.704 0.020 2 1545 174 156 ASP HB3 H 2.704 0.020 2 1546 174 156 ASP C C 175.339 0.400 1 1547 174 156 ASP CA C 54.347 0.400 1 1548 174 156 ASP CB C 40.227 0.400 1 1549 174 156 ASP N N 119.872 0.400 1 1550 175 157 VAL H H 8.139 0.020 1 1551 175 157 VAL HA H 3.842 0.020 1 1552 175 157 VAL HB H 2.190 0.020 1 1553 175 157 VAL HG1 H 1.018 0.020 2 1554 175 157 VAL HG2 H 0.812 0.020 2 1555 175 157 VAL C C 175.299 0.400 1 1556 175 157 VAL CA C 63.217 0.400 1 1557 175 157 VAL CB C 32.363 0.400 1 1558 175 157 VAL CG1 C 21.918 0.400 1 1559 175 157 VAL CG2 C 22.173 0.400 1 1560 175 157 VAL N N 121.308 0.400 1 1561 176 158 VAL H H 8.307 0.020 1 1562 176 158 VAL HA H 4.474 0.020 1 1563 176 158 VAL HB H 1.865 0.020 1 1564 176 158 VAL HG1 H 0.980 0.020 2 1565 176 158 VAL HG2 H 0.980 0.020 2 1566 176 158 VAL C C 174.374 0.400 1 1567 176 158 VAL CA C 64.877 0.400 1 1568 176 158 VAL CB C 32.810 0.400 1 1569 176 158 VAL CG1 C 21.482 0.400 1 1570 176 158 VAL N N 130.600 0.400 1 1571 177 159 ASP H H 7.510 0.020 1 1572 177 159 ASP HA H 5.066 0.020 1 1573 177 159 ASP HB2 H 2.445 0.020 2 1574 177 159 ASP HB3 H 2.445 0.020 2 1575 177 159 ASP C C 173.971 0.400 1 1576 177 159 ASP CA C 52.121 0.400 1 1577 177 159 ASP CB C 41.764 0.400 1 1578 177 159 ASP N N 117.329 0.400 1 1579 178 160 ALA H H 8.210 0.020 1 1580 178 160 ALA HA H 4.851 0.020 1 1581 178 160 ALA HB H 1.340 0.020 1 1582 178 160 ALA C C 177.955 0.400 1 1583 178 160 ALA CA C 51.227 0.400 1 1584 178 160 ALA CB C 22.692 0.400 1 1585 178 160 ALA N N 122.740 0.400 1 1586 179 161 HIS H H 9.197 0.020 1 1587 179 161 HIS HA H 5.079 0.020 1 1588 179 161 HIS HB2 H 2.713 0.020 2 1589 179 161 HIS HB3 H 2.634 0.020 2 1590 179 161 HIS HD2 H 7.075 0.020 1 1591 179 161 HIS HE1 H 7.891 0.020 1 1592 179 161 HIS C C 174.132 0.400 1 1593 179 161 HIS CA C 56.628 0.400 1 1594 179 161 HIS CB C 34.870 0.400 1 1595 179 161 HIS N N 123.235 0.400 1 1596 179 161 HIS ND1 N 244.138 0.400 1 1597 179 161 HIS NE2 N 167.440 0.400 1 1598 180 162 VAL H H 8.715 0.020 1 1599 180 162 VAL HA H 4.657 0.020 1 1600 180 162 VAL HB H 1.757 0.020 1 1601 180 162 VAL HG1 H 0.637 0.020 2 1602 180 162 VAL HG2 H 0.425 0.020 2 1603 180 162 VAL C C 173.287 0.400 1 1604 180 162 VAL CA C 59.807 0.400 1 1605 180 162 VAL CB C 35.251 0.400 1 1606 180 162 VAL CG1 C 21.461 0.400 1 1607 180 162 VAL CG2 C 20.536 0.400 1 1608 180 162 VAL N N 116.784 0.400 1 1609 181 163 TYR H H 8.602 0.020 1 1610 181 163 TYR HA H 4.987 0.020 1 1611 181 163 TYR HB2 H 2.728 0.020 2 1612 181 163 TYR HB3 H 2.635 0.020 2 1613 181 163 TYR HD1 H 6.795 0.020 1 1614 181 163 TYR HD2 H 6.795 0.020 1 1615 181 163 TYR HE1 H 6.281 0.020 1 1616 181 163 TYR HE2 H 6.281 0.020 1 1617 181 163 TYR C C 172.764 0.400 1 1618 181 163 TYR CA C 54.927 0.400 1 1619 181 163 TYR CB C 39.857 0.400 1 1620 181 163 TYR N N 122.413 0.400 1 1621 182 164 PRO HA H 4.312 0.020 1 1622 182 164 PRO HB2 H 2.268 0.020 2 1623 182 164 PRO HB3 H 2.004 0.020 2 1624 182 164 PRO HD2 H 4.117 0.020 2 1625 182 164 PRO HD3 H 3.308 0.020 2 1626 182 164 PRO HG2 H 2.023 0.020 2 1627 182 164 PRO HG3 H 1.696 0.020 2 1628 182 164 PRO C C 176.506 0.400 1 1629 182 164 PRO CA C 62.896 0.400 1 1630 182 164 PRO CB C 32.094 0.400 1 1631 182 164 PRO CD C 50.382 0.400 1 1632 182 164 PRO CG C 27.549 0.400 1 1633 183 165 LYS H H 8.619 0.020 1 1634 183 165 LYS HA H 4.447 0.020 1 1635 183 165 LYS HB2 H 1.839 0.020 2 1636 183 165 LYS HB3 H 1.701 0.020 2 1637 183 165 LYS HD2 H 1.636 0.020 2 1638 183 165 LYS HD3 H 1.636 0.020 2 1639 183 165 LYS HE2 H 2.941 0.020 2 1640 183 165 LYS HE3 H 2.941 0.020 2 1641 183 165 LYS HG2 H 1.434 0.020 2 1642 183 165 LYS HG3 H 1.434 0.020 2 1643 183 165 LYS C C 175.339 0.400 1 1644 183 165 LYS CA C 55.527 0.400 1 1645 183 165 LYS CB C 33.885 0.400 1 1646 183 165 LYS CD C 29.387 0.400 1 1647 183 165 LYS CE C 42.097 0.400 1 1648 183 165 LYS CG C 24.551 0.400 1 1649 183 165 LYS N N 121.902 0.400 1 1650 184 166 ASN H H 8.476 0.020 1 1651 184 166 ASN HA H 4.913 0.020 1 1652 184 166 ASN HB2 H 2.753 0.020 2 1653 184 166 ASN HB3 H 2.662 0.020 2 1654 184 166 ASN HD21 H 7.579 0.020 2 1655 184 166 ASN HD22 H 7.090 0.020 2 1656 184 166 ASN C C 175.178 0.400 1 1657 184 166 ASN CA C 52.836 0.400 1 1658 184 166 ASN CB C 39.681 0.400 1 1659 184 166 ASN N N 118.654 0.400 1 1660 184 166 ASN ND2 N 112.968 0.400 1 1661 185 167 THR H H 8.100 0.020 1 1662 185 167 THR HA H 4.276 0.020 1 1663 185 167 THR HB H 4.164 0.020 1 1664 185 167 THR HG2 H 1.122 0.020 1 1665 185 167 THR C C 173.971 0.400 1 1666 185 167 THR CA C 61.643 0.400 1 1667 185 167 THR CB C 69.880 0.400 1 1668 185 167 THR CG2 C 21.564 0.400 1 1669 185 167 THR N N 113.648 0.400 1 1670 186 168 GLU H H 8.447 0.020 1 1671 186 168 GLU HA H 4.242 0.020 1 1672 186 168 GLU HB2 H 1.980 0.020 2 1673 186 168 GLU HB3 H 1.877 0.020 2 1674 186 168 GLU HG2 H 2.199 0.020 2 1675 186 168 GLU HG3 H 2.199 0.020 2 1676 186 168 GLU C C 175.943 0.400 1 1677 186 168 GLU CA C 56.259 0.400 1 1678 186 168 GLU CB C 30.661 0.400 1 1679 186 168 GLU CG C 36.354 0.400 1 1680 186 168 GLU N N 123.054 0.400 1 1681 187 169 ALA H H 8.390 0.020 1 1682 187 169 ALA HA H 4.187 0.020 1 1683 187 169 ALA HB H 1.300 0.020 1 1684 187 169 ALA C C 177.351 0.400 1 1685 187 169 ALA CA C 52.509 0.400 1 1686 187 169 ALA CB C 19.200 0.400 1 1687 187 169 ALA N N 126.182 0.400 1 1688 188 170 LYS H H 8.290 0.020 1 1689 188 170 LYS HA H 4.533 0.020 1 1690 188 170 LYS HB2 H 1.733 0.020 2 1691 188 170 LYS HB3 H 1.616 0.020 2 1692 188 170 LYS HD2 H 1.600 0.020 2 1693 188 170 LYS HD3 H 1.600 0.020 2 1694 188 170 LYS HE2 H 2.913 0.020 2 1695 188 170 LYS HE3 H 2.913 0.020 2 1696 188 170 LYS HG2 H 1.380 0.020 2 1697 188 170 LYS HG3 H 1.380 0.020 2 1698 188 170 LYS C C 174.333 0.400 1 1699 188 170 LYS CA C 54.032 0.400 1 1700 188 170 LYS CB C 32.452 0.400 1 1701 188 170 LYS CD C 29.030 0.400 1 1702 188 170 LYS CE C 42.161 0.400 1 1703 188 170 LYS CG C 24.561 0.400 1 1704 188 170 LYS N N 121.948 0.400 1 1705 189 171 PRO HA H 4.313 0.020 1 1706 189 171 PRO HB2 H 2.161 0.020 2 1707 189 171 PRO HB3 H 1.757 0.020 2 1708 189 171 PRO HD2 H 3.725 0.020 2 1709 189 171 PRO HD3 H 3.539 0.020 2 1710 189 171 PRO HG2 H 1.915 0.020 2 1711 189 171 PRO HG3 H 1.915 0.020 2 1712 189 171 PRO C C 176.670 0.400 1 1713 189 171 PRO CA C 63.100 0.400 1 1714 189 171 PRO CB C 32.171 0.400 1 1715 189 171 PRO CD C 50.621 0.400 1 1716 189 171 PRO CG C 27.343 0.400 1 1717 190 172 LYS H H 8.375 0.020 1 1718 190 172 LYS HA H 4.169 0.020 1 1719 190 172 LYS HB2 H 1.636 0.020 2 1720 190 172 LYS HB3 H 1.636 0.020 2 1721 190 172 LYS HD2 H 1.581 0.020 2 1722 190 172 LYS HD3 H 1.581 0.020 2 1723 190 172 LYS HE2 H 2.896 0.020 2 1724 190 172 LYS HE3 H 2.896 0.020 2 1725 190 172 LYS HG2 H 1.365 0.020 2 1726 190 172 LYS HG3 H 1.311 0.020 2 1727 190 172 LYS C C 176.426 0.400 1 1728 190 172 LYS CA C 56.405 0.400 1 1729 190 172 LYS CB C 32.721 0.400 1 1730 190 172 LYS CD C 28.928 0.400 1 1731 190 172 LYS CE C 42.151 0.400 1 1732 190 172 LYS CG C 24.807 0.400 1 1733 190 172 LYS N N 122.313 0.400 1 1734 191 173 ILE H H 8.110 0.020 1 1735 191 173 ILE HA H 4.057 0.020 1 1736 191 173 ILE HB H 1.717 0.020 1 1737 191 173 ILE HD1 H 0.738 0.020 1 1738 191 173 ILE HG12 H 1.352 0.020 2 1739 191 173 ILE HG13 H 1.066 0.020 2 1740 191 173 ILE HG2 H 0.761 0.020 1 1741 191 173 ILE C C 175.903 0.400 1 1742 191 173 ILE CA C 60.926 0.400 1 1743 191 173 ILE CB C 38.541 0.400 1 1744 191 173 ILE CD1 C 12.647 0.400 1 1745 191 173 ILE CG1 C 27.118 0.400 1 1746 191 173 ILE CG2 C 17.382 0.400 1 1747 191 173 ILE N N 122.626 0.400 1 1748 192 174 LEU H H 8.298 0.020 1 1749 192 174 LEU HA H 4.232 0.020 1 1750 192 174 LEU HB2 H 1.463 0.020 2 1751 192 174 LEU HB3 H 1.384 0.020 2 1752 192 174 LEU HD1 H 0.797 0.020 2 1753 192 174 LEU HD2 H 0.727 0.020 2 1754 192 174 LEU HG H 1.468 0.020 1 1755 192 174 LEU C C 176.949 0.400 1 1756 192 174 LEU CA C 54.754 0.400 1 1757 192 174 LEU CB C 42.302 0.400 1 1758 192 174 LEU CD1 C 24.813 0.400 1 1759 192 174 LEU CD2 C 23.449 0.400 1 1760 192 174 LEU CG C 26.957 0.400 1 1761 192 174 LEU N N 126.818 0.400 1 1762 193 175 GLU H H 8.269 0.020 1 1763 193 175 GLU HA H 4.107 0.020 1 1764 193 175 GLU HB2 H 1.807 0.020 2 1765 193 175 GLU HB3 H 1.738 0.020 2 1766 193 175 GLU HG2 H 2.094 0.020 2 1767 193 175 GLU HG3 H 2.035 0.020 2 1768 193 175 GLU C C 175.964 0.400 1 1769 193 175 GLU CA C 56.449 0.400 1 1770 193 175 GLU CB C 30.386 0.400 1 1771 193 175 GLU CG C 36.324 0.400 1 1772 193 175 GLU N N 121.826 0.400 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz _T1_value_units s _Mol_system_component_name CELL_WALL_SURFACE_ANCHOR _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 7 ALA N 0.72 0.11 2 8 THR N 0.63 0.09 3 9 VAL N 0.54 0.08 4 10 PHE N 0.51 0.08 5 11 ALA N 0.53 0.08 6 12 ALA N 0.6 0.09 7 13 GLY N 0.68 0.1 8 14 THR N 0.7 0.1 9 15 THR N 0.69 0.1 10 16 THR N 0.71 0.11 11 17 THR N 0.91 0.14 12 18 SER N 0.67 0.1 13 19 VAL N 0.71 0.11 14 20 THR N 0.65 0.1 15 21 VAL N 0.7 0.11 16 22 HIS N 0.72 0.11 17 23 LYS N 0.71 0.11 18 24 LEU N 0.76 0.11 19 25 LEU N 0.72 0.11 20 27 THR N 0.65 0.1 21 28 ASP N 0.65 0.1 22 29 GLY N 0.58 0.09 23 30 ASP N 0.65 0.1 24 31 MET N 0.65 0.1 25 32 ASP N 0.66 0.1 26 33 LYS N 0.7 0.11 27 34 ILE N 0.7 0.1 28 35 ALA N 0.74 0.11 29 36 ASN N 0.68 0.1 30 37 GLU N 0.69 0.1 31 38 LEU N 0.71 0.11 32 39 GLU N 0.7 0.11 33 40 THR N 0.62 0.09 34 41 GLY N 0.57 0.09 35 42 ASN N 0.58 0.09 36 43 TYR N 0.67 0.1 37 44 ALA N 0.49 0.07 38 45 GLY N 0.69 0.1 39 46 ASN N 0.62 0.09 40 47 LYS N 0.67 0.1 41 48 VAL N 0.66 0.1 42 49 GLY N 0.61 0.09 43 50 VAL N 0.74 0.11 44 51 LEU N 0.69 0.1 45 53 ALA N 0.66 0.1 46 54 ASN N 0.65 0.1 47 55 ALA N 0.71 0.11 48 56 LYS N 0.7 0.11 49 57 GLU N 0.73 0.11 50 59 ALA N 0.79 0.12 51 60 GLY N 0.78 0.12 52 61 VAL N 0.62 0.09 53 62 MET N 0.74 0.11 54 63 PHE N 0.7 0.11 55 64 VAL N 0.79 0.12 56 65 TRP N 0.72 0.11 57 66 THR N 0.76 0.11 58 67 ASN N 0.74 0.11 59 68 THR N 0.72 0.11 60 69 ASN N 0.77 0.12 61 70 ASN N 0.71 0.11 62 71 GLU N 0.71 0.11 63 72 ILE N 0.69 0.1 64 73 ILE N 0.78 0.12 65 74 ASP N 0.72 0.11 66 75 GLU N 0.7 0.11 67 76 ASN N 0.71 0.11 68 77 GLY N 0.75 0.11 69 78 GLN N 0.68 0.1 70 79 THR N 0.81 0.12 71 80 LEU N 0.79 0.12 72 81 GLY N 0.65 0.1 73 82 VAL N 0.81 0.12 74 83 ASN N 0.71 0.11 75 84 ILE N 0.76 0.11 76 85 ASP N 0.72 0.11 77 87 GLN N 0.79 0.12 78 88 THR N 0.83 0.12 79 89 PHE N 0.56 0.08 80 90 LYS N 0.74 0.11 81 91 LEU N 0.76 0.11 82 92 SER N 0.75 0.11 83 93 GLY N 0.76 0.11 84 94 ALA N 0.81 0.12 85 95 MET N 0.74 0.11 86 97 ALA N 0.71 0.11 87 98 THR N 0.7 0.11 88 99 ALA N 0.7 0.11 89 100 MET N 0.72 0.11 90 101 LYS N 0.79 0.12 91 102 LYS N 0.74 0.11 92 103 LEU N 0.73 0.11 93 104 THR N 0.73 0.11 94 105 GLU N 0.74 0.11 95 106 ALA N 0.75 0.11 96 107 GLU N 0.78 0.12 97 108 GLY N 0.72 0.11 98 109 ALA N 0.69 0.1 99 110 LYS N 0.64 0.1 100 111 PHE N 0.74 0.11 101 112 ASN N 0.69 0.1 102 113 THR N 0.72 0.11 103 114 ALA N 0.67 0.1 104 115 ASN N 0.78 0.12 105 116 LEU N 0.75 0.11 106 118 ALA N 0.87 0.13 107 119 ALA N 0.76 0.11 108 120 LYS N 0.77 0.12 109 121 TYR N 0.79 0.12 110 122 LYS N 0.44 0.07 111 123 ILE N 0.78 0.12 112 124 TYR N 0.79 0.12 113 126 ILE N 0.71 0.11 114 129 LEU N 0.61 0.09 115 134 GLY N 0.63 0.09 116 135 GLU N 0.61 0.09 117 136 ASP N 1.09 0.16 118 137 GLY N 0.55 0.08 119 138 ALA N 0.55 0.08 120 139 THR N 0.71 0.11 121 140 LEU N 0.65 0.1 122 141 THR N 0.55 0.08 123 143 SER N 0.55 0.08 124 144 LYS N 0.57 0.09 125 145 ALA N 0.59 0.09 126 146 VAL N 0.66 0.1 127 148 ILE N 0.68 0.1 128 149 GLU N 0.85 0.13 129 150 ILE N 0.71 0.11 130 151 GLU N 0.81 0.12 131 152 LEU N 0.78 0.12 132 154 LEU N 0.74 0.11 133 155 ASN N 0.67 0.1 134 156 ASP N 0.67 0.1 135 157 VAL N 0.65 0.1 136 158 VAL N 0.72 0.11 137 159 ASP N 0.73 0.11 138 160 ALA N 0.77 0.12 139 161 HIS N 0.74 0.11 140 162 VAL N 0.72 0.11 141 163 TYR N 0.75 0.11 142 165 LYS N 0.63 0.09 143 166 ASN N 0.53 0.08 144 167 THR N 0.53 0.08 145 168 GLU N 0.5 0.08 146 169 ALA N 0.51 0.08 147 170 LYS N 0.5 0.07 148 172 LYS N 0.5 0.08 149 173 ILE N 0.51 0.08 150 174 LEU N 0.5 0.08 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type I(+,-) _T2_value_units s _Mol_system_component_name CELL_WALL_SURFACE_ANCHOR _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 7 ALA N 0.26 0.04 . . 2 8 THR N 0.27 0.04 . . 3 9 VAL N 0.25 0.04 . . 4 10 PHE N 0.23 0.04 . . 5 11 ALA N 0.19 0.03 . . 6 12 ALA N 0.18 0.03 . . 7 13 GLY N 0.12 0.02 . . 8 14 THR N 0.06 0.01 . . 9 15 THR N 0.06 0.01 . . 10 16 THR N 0.08 0.01 . . 11 17 THR N 0.06 0.01 . . 12 18 SER N 0.06 0.01 . . 13 19 VAL N 0.06 0.01 . . 14 20 THR N 0.06 0.01 . . 15 21 VAL N 0.06 0.01 . . 16 22 HIS N 0.06 0.01 . . 17 23 LYS N 0.06 0.01 . . 18 24 LEU N 0.06 0.01 . . 19 25 LEU N 0.05 0.01 . . 20 27 THR N 0.05 0.01 . . 21 28 ASP N 0.05 0.01 . . 22 29 GLY N 0.06 0.01 . . 23 30 ASP N 0.06 0.01 . . 24 31 MET N 0.08 0.01 . . 25 32 ASP N 0.06 0.01 . . 26 33 LYS N 0.07 0.01 . . 27 34 ILE N 0.05 0.01 . . 28 35 ALA N 0.14 0.02 . . 29 36 ASN N 0.06 0.01 . . 30 37 GLU N 0.07 0.01 . . 31 38 LEU N 0.06 0.01 . . 32 39 GLU N 0.06 0.01 . . 33 40 THR N 0.06 0.01 . . 34 41 GLY N 0.06 0.01 . . 35 42 ASN N 0.06 0.01 . . 36 43 TYR N 0.05 0.01 . . 37 44 ALA N 0.1 0.01 . . 38 45 GLY N 0.06 0.01 . . 39 46 ASN N 0.05 0.01 . . 40 47 LYS N 0.06 0.01 . . 41 48 VAL N 0.05 0.01 . . 42 49 GLY N 0.06 0.01 . . 43 50 VAL N 0.08 0.01 . . 44 51 LEU N 0.08 0.01 . . 45 53 ALA N 0.07 0.01 . . 46 54 ASN N 0.07 0.01 . . 47 55 ALA N 0.06 0.01 . . 48 56 LYS N 0.06 0.01 . . 49 57 GLU N 0.06 0.01 . . 50 59 ALA N 0.04 0.01 . . 51 60 GLY N 0.05 0.01 . . 52 61 VAL N 0.07 0.01 . . 53 62 MET N 0.06 0.01 . . 54 63 PHE N 0.06 0.01 . . 55 64 VAL N 0.05 0.01 . . 56 65 TRP N 0.06 0.01 . . 57 66 THR N 0.06 0.01 . . 58 67 ASN N 0.06 0.01 . . 59 68 THR N 0.06 0.01 . . 60 69 ASN N 0.06 0.01 . . 61 70 ASN N 0.07 0.01 . . 62 71 GLU N 0.06 0.01 . . 63 72 ILE N 0.06 0.01 . . 64 73 ILE N 0.06 0.01 . . 65 74 ASP N 0.06 0.01 . . 66 75 GLU N 0.07 0.01 . . 67 76 ASN N 0.06 0.01 . . 68 77 GLY N 0.06 0.01 . . 69 78 GLN N 0.06 0.01 . . 70 79 THR N 0.06 0.01 . . 71 80 LEU N 0.06 0.01 . . 72 81 GLY N 0.07 0.01 . . 73 82 VAL N 0.07 0.01 . . 74 83 ASN N 0.06 0.01 . . 75 84 ILE N 0.06 0.01 . . 76 85 ASP N 0.06 0.01 . . 77 87 GLN N 0.06 0.01 . . 78 88 THR N 0.07 0.01 . . 79 89 PHE N 0.07 0.01 . . 80 90 LYS N 0.07 0.01 . . 81 91 LEU N 0.07 0.01 . . 82 92 SER N 0.06 0.01 . . 83 93 GLY N 0.07 0.01 . . 84 94 ALA N 0.14 0.02 . . 85 95 MET N 0.07 0.01 . . 86 97 ALA N 0.06 0.01 . . 87 98 THR N 0.03 0 . . 88 99 ALA N 0.06 0.01 . . 89 100 MET N 0.06 0.01 . . 90 101 LYS N 0.06 0.01 . . 91 102 LYS N 0.06 0.01 . . 92 103 LEU N 0.06 0.01 . . 93 104 THR N 0.06 0.01 . . 94 105 GLU N 0.06 0.01 . . 95 106 ALA N 0.06 0.01 . . 96 107 GLU N 0.07 0.01 . . 97 108 GLY N 0.06 0.01 . . 98 109 ALA N 0.06 0.01 . . 99 110 LYS N 0.06 0.01 . . 100 111 PHE N 0.06 0.01 . . 101 112 ASN N 0.07 0.01 . . 102 113 THR N 0.06 0.01 . . 103 114 ALA N 0.06 0.01 . . 104 115 ASN N 0.06 0.01 . . 105 116 LEU N 0.06 0.01 . . 106 118 ALA N 0.06 0.01 . . 107 119 ALA N 0.07 0.01 . . 108 120 LYS N 0.06 0.01 . . 109 121 TYR N 0.06 0.01 . . 110 122 LYS N 0.07 0.01 . . 111 123 ILE N 0.06 0.01 . . 112 124 TYR N 0.06 0.01 . . 113 126 ILE N 0.1 0.01 . . 114 129 LEU N 0.05 0.01 . . 115 134 GLY N 0.07 0.01 . . 116 135 GLU N 0.23 0.04 . . 117 136 ASP N 0.07 0.01 . . 118 137 GLY N 0.08 0.01 . . 119 138 ALA N 0.08 0.01 . . 120 139 THR N 0.05 0.01 . . 121 140 LEU N 0.04 0.01 . . 122 141 THR N 0.06 0.01 . . 123 143 SER N 0.06 0.01 . . 124 144 LYS N 0.06 0.01 . . 125 145 ALA N 0.06 0.01 . . 126 146 VAL N 0.09 0.01 . . 127 148 ILE N 0.08 0.01 . . 128 149 GLU N 0.07 0.01 . . 129 150 ILE N 0.06 0.01 . . 130 151 GLU N 0.07 0.01 . . 131 152 LEU N 0.07 0.01 . . 132 154 LEU N 0.06 0.01 . . 133 155 ASN N 0.11 0.02 . . 134 156 ASP N 0.03 0 . . 135 157 VAL N 0.04 0.01 . . 136 158 VAL N 0.05 0.01 . . 137 159 ASP N 0.06 0.01 . . 138 160 ALA N 0.06 0.01 . . 139 161 HIS N 0.07 0.01 . . 140 162 VAL N 0.05 0.01 . . 141 163 TYR N 0.06 0.01 . . 142 165 LYS N 0.07 0.01 . . 143 166 ASN N 0.06 0.01 . . 144 167 THR N 0.09 0.01 . . 145 168 GLU N 0.09 0.01 . . 146 169 ALA N 0.12 0.02 . . 147 170 LYS N 0.18 0.03 . . 148 172 LYS N 0.16 0.02 . . 149 173 ILE N 0.18 0.03 . . 150 174 LEU N 0.2 0.03 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name CELL_WALL_SURFACE_ANCHOR _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 7 ALA -1.05 0.05 8 THR -0.84 0.04 9 VAL -0.53 0.03 10 PHE -0.47 0.02 11 ALA -0.29 0.01 12 ALA -0.08 0 13 GLY 0.09 0 14 THR 0.69 0.03 15 THR 0.84 0.04 16 THR 0.73 0.04 17 THR 0.86 0.04 18 SER 0.8 0.04 19 VAL 0.83 0.04 20 THR 0.73 0.04 21 VAL 0.8 0.04 22 HIS 0.83 0.04 23 LYS 0.74 0.04 24 LEU 0.76 0.04 25 LEU 0.66 0.03 27 THR 0.86 0.04 28 ASP 0.76 0.03 29 GLY 0.6 0.04 30 ASP 0.73 0.03 31 MET 0.66 0.03 32 ASP 0.7 0.03 33 LYS 0.69 0.04 34 ILE 0.83 0.03 35 ALA 0.58 0.04 36 ASN 0.71 0.03 37 GLU 0.64 0.03 38 LEU 0.67 0.03 39 GLU 0.68 0.03 40 THR 0.61 0.03 41 GLY 0.64 0.03 42 ASN 0.67 0.03 43 TYR 0.61 0.02 44 ALA 0.49 0.03 45 GLY 0.61 0.03 46 ASN 0.67 0.03 47 LYS 0.68 0.08 48 VAL 0.78 0.03 49 GLY 0.58 0.03 50 VAL 0.57 0.03 51 LEU 0.62 0.04 53 ALA 0.84 0.03 54 ASN 0.7 0.03 55 ALA 0.67 0.04 56 LYS 0.74 0.04 57 GLU 0.72 0.04 59 ALA 0.78 0.03 60 GLY 0.69 0.04 61 VAL 0.88 0.04 62 MET 0.75 0.04 63 PHE 0.77 0.04 64 VAL 0.79 0.04 65 TRP 0.85 0.04 66 THR 0.81 0.04 67 ASN 0.82 0.04 68 THR 0.82 0.04 69 ASN 0.76 0.04 70 ASN 0.79 0.04 71 GLU 0.84 0.04 72 ILE 0.79 0.04 73 ILE 0.8 0.04 74 ASP 0.88 0.04 75 GLU 0.79 0.04 76 ASN 0.89 0.04 77 GLY 0.78 0.04 78 GLN 0.74 0.03 79 THR 0.68 0.04 80 LEU 0.77 0.04 81 GLY 0.78 0.04 82 VAL 0.77 0.04 83 ASN 0.75 0.04 84 ILE 0.8 0.04 85 ASP 0.74 0.04 87 GLN 0.71 0.04 88 THR 0.72 0.03 89 PHE 0.53 0.03 90 LYS 0.69 0.03 91 LEU 0.68 0.04 92 SER 0.79 0.04 93 GLY 0.76 0.02 94 ALA 0.4 0.04 95 MET 0.78 0.1 97 ALA 0.96 0.04 98 THR 0.82 0.04 99 ALA 0.74 0.04 100 MET 0.73 0.04 101 LYS 0.74 0.04 102 LYS 0.74 0.04 103 LEU 0.78 0.04 104 THR 0.7 0.04 105 GLU 0.81 0.04 106 ALA 0.85 0.04 107 GLU 0.77 0.04 108 GLY 0.76 0.04 109 ALA 0.79 0.04 110 LYS 0.75 0.04 111 PHE 0.77 0.04 112 ASN 0.74 0.04 113 THR 0.78 0.04 114 ALA 0.75 0.04 115 ASN 0.84 0.04 116 LEU 0.74 0.04 118 ALA 0.72 0.04 119 ALA 0.82 0.04 120 LYS 0.76 0.04 121 TYR 0.78 0.02 122 LYS 0.48 0.04 123 ILE 0.74 0.04 124 TYR 0.82 0.04 126 ILE 0.77 0.04 129 LEU 0.76 0.03 134 GLY 0.57 0.01 135 GLU 0.19 0.04 136 ASP 0.84 0.02 137 GLY 0.47 0.02 138 ALA 0.48 0.03 139 THR 0.56 0.03 140 LEU 0.6 0.03 141 THR 0.64 0.03 143 SER 0.57 0.03 144 LYS 0.58 0.03 145 ALA 0.55 0.01 146 VAL 0.3 0.02 148 ILE 0.47 0.03 149 GLU 0.69 0.04 150 ILE 0.75 0.03 151 GLU 0.65 0.03 152 LEU 0.61 0.04 154 LEU 0.72 0.03 155 ASN 0.57 0.03 156 ASP 0.7 0.04 157 VAL 0.83 0.04 158 VAL 0.78 0.04 159 ASP 0.77 0.04 160 ALA 0.83 0.04 161 HIS 0.84 0.04 162 VAL 0.78 0.04 163 TYR 0.75 0.03 165 LYS 0.6 0.03 166 ASN 0.61 0.02 167 THR 0.49 0.02 168 GLU 0.45 0.02 169 ALA 0.31 0.01 170 LYS 0.1 0.01 172 LYS -0.09 0.01 173 ILE -0.05 0.01 174 LEU -0.17 0.01 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name CELL_WALL_SURFACE_ANCHOR _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 7 ALA N . 0.15 0.05 . . . . . . . . . . . . 8 THR N . 0.13 0.05 . . . . . . . . . . . . 9 VAL N . 0.13 0.06 . . . . . . . . . . . . 10 PHE N . 0.14 0.07 . . . . . . . . . . . . 11 ALA N . 0.21 0.08 . . . . . . . . . . . . 12 ALA N . 0 0 . . . . . . . . . . . . 13 GLY N . 0 0 . . . . . . . . . . . . 14 THR N . 0.95 0.09 . . . . . . . . . . . . 15 THR N . 0.99 0.09 . . . . . . . . . . . . 16 THR N . 0.83 0.1 . . . . . . . . . . . . 17 THR N . 0.84 0.11 . . . . . . . . . . . . 18 SER N . 1 0.09 . . . . . . . . . . . . 19 VAL N . 0.99 0.08 . . . . . . . . . . . . 20 THR N . 1 0.08 . . . . . . . . . . . . 21 VAL N . 0.99 0.07 . . . . . . . . . . . . 22 HIS N . 0.97 0.08 . . . . . . . . . . . . 23 LYS N . 0.95 0.09 . . . . . . . . . . . . 24 LEU N . 0.93 0.1 . . . . . . . . . . . . 25 LEU N . 0.95 0.09 . . . . . . . . . . . . 27 THR N . 1 0.11 . . . . . . . . . . . . 28 ASP N . 1 0.07 . . . . . . . . . . . . 29 GLY N . 0.92 0.1 . . . . . . . . . . . . 30 ASP N . 1 0.09 . . . . . . . . . . . . 31 MET N . 0.88 0.11 . . . . . . . . . . . . 32 ASP N . 0.96 0.11 . . . . . . . . . . . . 33 LYS N . 0.92 0.08 . . . . . . . . . . . . 34 ILE N . 1 0.08 . . . . . . . . . . . . 35 ALA N . 0.61 0.15 . . . . . . . . . . . . 36 ASN N . 1 0.08 . . . . . . . . . . . . 37 GLU N . 0.88 0.09 . . . . . . . . . . . . 38 LEU N . 0.95 0.08 . . . . . . . . . . . . 39 GLU N . 0.95 0.09 . . . . . . . . . . . . 40 THR N . 0.93 0.1 . . . . . . . . . . . . 41 GLY N . 0.92 0.11 . . . . . . . . . . . . 42 ASN N . 0.93 0.1 . . . . . . . . . . . . 43 TYR N . 0.93 0.11 . . . . . . . . . . . . 44 ALA N . 0.56 0.14 . . . . . . . . . . . . 45 GLY N . 0.93 0.09 . . . . . . . . . . . . 46 ASN N . 0.95 0.1 . . . . . . . . . . . . 47 LYS N . 0.96 0.09 . . . . . . . . . . . . 48 VAL N . 0.98 0.12 . . . . . . . . . . . . 49 GLY N . 0.92 0.09 . . . . . . . . . . . . 50 VAL N . 0.83 0.09 . . . . . . . . . . . . 51 LEU N . 0.85 0.09 . . . . . . . . . . . . 53 ALA N . 0.97 0.1 . . . . . . . . . . . . 54 ASN N . 0.91 0.1 . . . . . . . . . . . . 55 ALA N . 0.93 0.09 . . . . . . . . . . . . 56 LYS N . 0.96 0.1 . . . . . . . . . . . . 57 GLU N . 0.94 0.1 . . . . . . . . . . . . 59 ALA N . 0.98 0.11 . . . . . . . . . . . . 60 GLY N . 0.93 0.09 . . . . . . . . . . . . 61 VAL N . 1 0.08 . . . . . . . . . . . . 62 MET N . 0.98 0.09 . . . . . . . . . . . . 63 PHE N . 1 0.08 . . . . . . . . . . . . 64 VAL N . 0.93 0.1 . . . . . . . . . . . . 65 TRP N . 1 0.09 . . . . . . . . . . . . 66 THR N . 0.92 0.1 . . . . . . . . . . . . 67 ASN N . 0.94 0.11 . . . . . . . . . . . . 68 THR N . 1 0.08 . . . . . . . . . . . . 69 ASN N . 0.92 0.11 . . . . . . . . . . . . 70 ASN N . 0.94 0.09 . . . . . . . . . . . . 71 GLU N . 0.99 0.07 . . . . . . . . . . . . 72 ILE N . 0.96 0.08 . . . . . . . . . . . . 73 ILE N . 0.95 0.09 . . . . . . . . . . . . 74 ASP N . 0.98 0.07 . . . . . . . . . . . . 75 GLU N . 0.95 0.1 . . . . . . . . . . . . 76 ASN N . 0.96 0.11 . . . . . . . . . . . . 77 GLY N . 0.93 0.09 . . . . . . . . . . . . 78 GLN N . 0.99 0.09 . . . . . . . . . . . . 79 THR N . 0.86 0.09 . . . . . . . . . . . . 80 LEU N . 0.93 0.08 . . . . . . . . . . . . 81 GLY N . 0.96 0.11 . . . . . . . . . . . . 82 VAL N . 0.87 0.11 . . . . . . . . . . . . 83 ASN N . 0.96 0.09 . . . . . . . . . . . . 84 ILE N . 0.92 0.1 . . . . . . . . . . . . 85 ASP N . 0.95 0.09 . . . . . . . . . . . . 87 GLN N . 0.88 0.1 . . . . . . . . . . . . 88 THR N . 0.84 0.11 . . . . . . . . . . . . 89 PHE N . 0.83 0.12 . . . . . . . . . . . . 90 LYS N . 0.91 0.09 . . . . . . . . . . . . 91 LEU N . 0.88 0.08 . . . . . . . . . . . . 92 SER N . 0.93 0.1 . . . . . . . . . . . . 93 GLY N . 0.86 0.09 . . . . . . . . . . . . 94 ALA N . 0.52 0.07 . . . . . . . . . . . . 95 MET N . 0.92 0.1 . . . . . . . . . . . . 97 ALA N . 1 0.03 . . . . . . . . . . . . 98 THR N . 0.93 0.13 . . . . . . . . . . . . 99 ALA N . 0.98 0.1 . . . . . . . . . . . . 100 MET N . 0.98 0.1 . . . . . . . . . . . . 101 LYS N . 0.9 0.1 . . . . . . . . . . . . 102 LYS N . 0.98 0.08 . . . . . . . . . . . . 103 LEU N . 0.96 0.11 . . . . . . . . . . . . 104 THR N . 0.94 0.08 . . . . . . . . . . . . 105 GLU N . 0.94 0.1 . . . . . . . . . . . . 106 ALA N . 0.92 0.1 . . . . . . . . . . . . 107 GLU N . 0.87 0.1 . . . . . . . . . . . . 108 GLY N . 0.96 0.1 . . . . . . . . . . . . 109 ALA N . 0.98 0.09 . . . . . . . . . . . . 110 LYS N . 1 0.09 . . . . . . . . . . . . 111 PHE N . 0.96 0.08 . . . . . . . . . . . . 112 ASN N . 0.96 0.1 . . . . . . . . . . . . 113 THR N . 0.95 0.09 . . . . . . . . . . . . 114 ALA N . 1 0.1 . . . . . . . . . . . . 115 ASN N . 0.93 0.1 . . . . . . . . . . . . 116 LEU N . 0.94 0.11 . . . . . . . . . . . . 118 ALA N . 0.83 0.1 . . . . . . . . . . . . 119 ALA N . 0.9 0.1 . . . . . . . . . . . . 120 LYS N . 0.91 0.09 . . . . . . . . . . . . 121 TYR N . 0.89 0.11 . . . . . . . . . . . . 122 LYS N . 0.68 0.16 . . . . . . . . . . . . 123 ILE N . 0.95 0.08 . . . . . . . . . . . . 124 TYR N . 0.91 0.1 . . . . . . . . . . . . 126 ILE N . 0.75 0.11 . . . . . . . . . . . . 129 LEU N . 1 0.09 . . . . . . . . . . . . 134 GLY N . 0.88 0.1 . . . . . . . . . . . . 135 GLU N . 0.22 0.11 . . . . . . . . . . . . 136 ASP N . 0.7 0.1 . . . . . . . . . . . . 137 GLY N . 0.75 0.13 . . . . . . . . . . . . 138 ALA N . 0.69 0.05 . . . . . . . . . . . . 139 THR N . 0.87 0.09 . . . . . . . . . . . . 140 LEU N . 0.92 0.08 . . . . . . . . . . . . 141 THR N . 0.88 0.12 . . . . . . . . . . . . 143 SER N . 0.88 0.1 . . . . . . . . . . . . 144 LYS N . 0.92 0.11 . . . . . . . . . . . . 145 ALA N . 0.9 0.1 . . . . . . . . . . . . 146 VAL N . 0.73 0.12 . . . . . . . . . . . . 148 ILE N . 0.84 0.09 . . . . . . . . . . . . 149 GLU N . 0.81 0.11 . . . . . . . . . . . . 150 ILE N . 0.96 0.09 . . . . . . . . . . . . 151 GLU N . 0.83 0.1 . . . . . . . . . . . . 152 LEU N . 0.83 0.1 . . . . . . . . . . . . 154 LEU N . 0.97 0.09 . . . . . . . . . . . . 155 ASN N . 0.69 0.15 . . . . . . . . . . . . 156 ASP N . 0.95 0.11 . . . . . . . . . . . . 157 VAL N . 1 0.11 . . . . . . . . . . . . 158 VAL N . 1 0.08 . . . . . . . . . . . . 159 ASP N . 0.94 0.08 . . . . . . . . . . . . 160 ALA N . 0.95 0.07 . . . . . . . . . . . . 161 HIS N . 0.93 0.1 . . . . . . . . . . . . 162 VAL N . 1 0.08 . . . . . . . . . . . . 163 TYR N . 0.97 0.1 . . . . . . . . . . . . 165 LYS N . 0.89 0.1 . . . . . . . . . . . . 166 ASN N . 0.87 0.11 . . . . . . . . . . . . 167 THR N . 0.64 0.14 . . . . . . . . . . . . 168 GLU N . 0.62 0.14 . . . . . . . . . . . . 169 ALA N . 0.43 0.12 . . . . . . . . . . . . 170 LYS N . 0.21 0.08 . . . . . . . . . . . . 172 LYS N . 0.27 0.09 . . . . . . . . . . . . 173 ILE N . 0.22 0.09 . . . . . . . . . . . . 174 LEU N . 0.19 0.08 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_