data_6443 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of At5g01610, an Arabidopsis thaliana protein containign DUF583 domain ; _BMRB_accession_number 6443 _BMRB_flat_file_name bmr6443.str _Entry_type original _Submission_date 2004-12-23 _Accession_date 2004-12-23 _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 Zhao Qin . . 2 Cornilescu Claudia . . 3 Lee Min . . 4 Markley John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 634 "13C chemical shifts" 461 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-15 original author . stop_ _Original_release_date 2005-04-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of At5g01610, an Arabdopsis protein containing DUF538 domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao Qin . . 2 Cornilescu Claudia . . 3 Lee Min S. . 4 Markley John L. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_At5g01610 _Saveframe_category molecular_system _Mol_system_name At5g01610 _Abbreviation_common At5g01610 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At5g01610 $At5g01610 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_At5g01610 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At5g01610 _Abbreviation_common At5g01610 _Molecular_mass 18952.7 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; SDQIFNKVGSYWLGQKANKQ FDSVGNDLNSVSTSIEGGTK WLVNKIKGKMQKPLPELLKE YDLPIGIFPGDATNYEFDEE TKKLTVLIPSICEVGYKDSS VLKFTTTVTGHLEKGKLTDV EGIKTKVMIWVKVTSISTDA SKVYFTAGMKKSRSRDAYGV QRNGLRVDKF ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 GLN 4 ILE 5 PHE 6 ASN 7 LYS 8 VAL 9 GLY 10 SER 11 TYR 12 TRP 13 LEU 14 GLY 15 GLN 16 LYS 17 ALA 18 ASN 19 LYS 20 GLN 21 PHE 22 ASP 23 SER 24 VAL 25 GLY 26 ASN 27 ASP 28 LEU 29 ASN 30 SER 31 VAL 32 SER 33 THR 34 SER 35 ILE 36 GLU 37 GLY 38 GLY 39 THR 40 LYS 41 TRP 42 LEU 43 VAL 44 ASN 45 LYS 46 ILE 47 LYS 48 GLY 49 LYS 50 MET 51 GLN 52 LYS 53 PRO 54 LEU 55 PRO 56 GLU 57 LEU 58 LEU 59 LYS 60 GLU 61 TYR 62 ASP 63 LEU 64 PRO 65 ILE 66 GLY 67 ILE 68 PHE 69 PRO 70 GLY 71 ASP 72 ALA 73 THR 74 ASN 75 TYR 76 GLU 77 PHE 78 ASP 79 GLU 80 GLU 81 THR 82 LYS 83 LYS 84 LEU 85 THR 86 VAL 87 LEU 88 ILE 89 PRO 90 SER 91 ILE 92 CYS 93 GLU 94 VAL 95 GLY 96 TYR 97 LYS 98 ASP 99 SER 100 SER 101 VAL 102 LEU 103 LYS 104 PHE 105 THR 106 THR 107 THR 108 VAL 109 THR 110 GLY 111 HIS 112 LEU 113 GLU 114 LYS 115 GLY 116 LYS 117 LEU 118 THR 119 ASP 120 VAL 121 GLU 122 GLY 123 ILE 124 LYS 125 THR 126 LYS 127 VAL 128 MET 129 ILE 130 TRP 131 VAL 132 LYS 133 VAL 134 THR 135 SER 136 ILE 137 SER 138 THR 139 ASP 140 ALA 141 SER 142 LYS 143 VAL 144 TYR 145 PHE 146 THR 147 ALA 148 GLY 149 MET 150 LYS 151 LYS 152 SER 153 ARG 154 SER 155 ARG 156 ASP 157 ALA 158 TYR 159 GLY 160 VAL 161 GLN 162 ARG 163 ASN 164 GLY 165 LEU 166 ARG 167 VAL 168 ASP 169 LYS 170 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1YDU "Solution Nmr Structure Of At5g01610, An Arabidopsis Thaliana Protein Containing Duf538 Domain" 100.00 170 100.00 100.00 1.28e-118 DBJ BAE99748 "hypothetical protein [Arabidopsis thaliana]" 99.41 170 98.82 98.82 1.09e-115 EMBL CAB82277 "putative protein [Arabidopsis thaliana]" 99.41 170 99.41 99.41 6.41e-117 GB AAM63344 "unknown [Arabidopsis thaliana]" 99.41 170 99.41 99.41 6.41e-117 GB AAO44063 "At5g01610 [Arabidopsis thaliana]" 99.41 170 98.82 98.82 1.09e-115 GB AED90365 "uncharacterized protein AT5G01610 [Arabidopsis thaliana]" 99.41 170 99.41 99.41 6.41e-117 GB EFH49261 "hypothetical protein ARALYDRAFT_486913 [Arabidopsis lyrata subsp. lyrata]" 99.41 170 97.63 98.82 1.16e-115 REF NP_195781 "uncharacterized protein [Arabidopsis thaliana]" 99.41 170 99.41 99.41 6.41e-117 REF XP_002873002 "hypothetical protein ARALYDRAFT_486913 [Arabidopsis lyrata subsp. lyrata]" 99.41 170 97.63 98.82 1.16e-115 SP Q9M015 "RecName: Full=Uncharacterized protein At5g01610 [Arabidopsis thaliana]" 99.41 170 99.41 99.41 6.41e-117 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At5g01610 'Arabidopsis thaliana' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $At5g01610 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At5g01610 10 mg/mL '[U-95% 13C; U-90% 15N]' NaPi 20 mM . NaCl 25 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_CCONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_HBHACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_HCCHTOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label . save_ save_HCCHCOSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label . save_ save_15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label . save_ save_15N_T1_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label . save_ save_15N_T2_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label . save_ save_15N_htNOE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N htNOE' _Sample_label . save_ save_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N htNOE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.18 0.02 pH 'ionic strength' 0.025 0.002 M temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio H2O H 1 'methyl protons' ppm 4.77 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name At5g01610 _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 . 53 PRO CA C 63.8 0.2 1 2 . 53 PRO HA H 4.72 0.05 1 3 . 53 PRO CB C 33.6 0.2 1 4 . 53 PRO HB2 H 2.64 0.05 2 5 . 53 PRO HB3 H 1.89 0.05 2 6 . 53 PRO CG C 28.5 0.2 1 7 . 53 PRO HG2 H 2.22 0.05 2 8 . 53 PRO HG3 H 2.20 0.05 2 9 . 54 LEU N N 126.1 0.2 1 10 . 54 LEU H H 9.42 0.05 1 11 . 54 LEU CA C 59.5 0.2 1 12 . 54 LEU HA H 3.65 0.05 1 13 . 54 LEU CB C 38.6 0.2 1 14 . 54 LEU HB2 H 1.88 0.05 2 15 . 54 LEU HB3 H 1.22 0.05 2 16 . 54 LEU CG C 27.2 0.2 1 17 . 54 LEU HG H 1.23 0.05 1 18 . 54 LEU HD1 H 0.46 0.05 2 19 . 54 LEU HD2 H 0.05 0.05 2 20 . 54 LEU CD1 C 26.5 0.2 1 21 . 54 LEU CD2 C 22.8 0.2 1 22 . 55 PRO CD C 50.3 0.2 1 23 . 55 PRO CA C 66.8 0.2 1 24 . 55 PRO HA H 4.15 0.05 1 25 . 55 PRO CB C 31.3 0.2 1 26 . 55 PRO HB2 H 2.21 0.05 2 27 . 55 PRO HB3 H 1.99 0.05 2 28 . 55 PRO CG C 29.0 0.2 1 29 . 55 PRO HG2 H 2.06 0.05 1 30 . 55 PRO HG3 H 2.06 0.05 1 31 . 55 PRO HD2 H 3.80 0.05 2 32 . 55 PRO HD3 H 3.75 0.05 2 33 . 56 GLU N N 114.2 0.2 1 34 . 56 GLU H H 6.96 0.05 1 35 . 56 GLU CA C 58.9 0.2 1 36 . 56 GLU HA H 4.06 0.05 1 37 . 56 GLU CB C 29.3 0.2 1 38 . 56 GLU HB2 H 2.16 0.05 2 39 . 56 GLU HB3 H 2.11 0.05 2 40 . 56 GLU CG C 36.4 0.2 1 41 . 56 GLU HG2 H 2.43 0.05 2 42 . 56 GLU C C 179.0 0.2 1 43 . 57 LEU N N 123.5 0.2 1 44 . 57 LEU H H 7.64 0.05 1 45 . 57 LEU CA C 58.5 0.2 1 46 . 57 LEU HA H 4.08 0.05 1 47 . 57 LEU CB C 42.2 0.2 1 48 . 57 LEU HB2 H 1.82 0.05 2 49 . 57 LEU HB3 H 1.13 0.05 2 50 . 57 LEU CG C 26.9 0.2 1 51 . 57 LEU HG H 1.12 0.05 1 52 . 57 LEU HD1 H 0.74 0.05 2 53 . 57 LEU HD2 H 0.15 0.05 2 54 . 57 LEU CD1 C 24.5 0.2 1 55 . 57 LEU CD2 C 26.4 0.2 1 56 . 58 LEU N N 116.6 0.2 1 57 . 58 LEU H H 8.13 0.05 1 58 . 58 LEU CA C 59.0 0.2 1 59 . 58 LEU HA H 3.75 0.05 1 60 . 58 LEU CB C 40.0 0.2 1 61 . 58 LEU HB2 H 1.80 0.05 2 62 . 58 LEU HB3 H 1.26 0.05 2 63 . 58 LEU CG C 27.2 0.2 1 64 . 58 LEU HG H 1.71 0.05 1 65 . 58 LEU HD1 H 0.63 0.05 2 66 . 58 LEU HD2 H 0.96 0.05 2 67 . 58 LEU CD1 C 21.9 0.2 1 68 . 58 LEU CD2 C 27.2 0.2 1 69 . 58 LEU C C 179.1 0.2 1 70 . 59 LYS N N 118.1 0.2 1 71 . 59 LYS H H 7.93 0.05 1 72 . 59 LYS CA C 60.5 0.2 1 73 . 59 LYS HA H 4.08 0.05 1 74 . 59 LYS CB C 32.9 0.2 1 75 . 59 LYS HB2 H 1.90 0.05 1 76 . 59 LYS HB3 H 1.90 0.05 1 77 . 59 LYS CG C 25.7 0.2 1 78 . 59 LYS HG2 H 1.70 0.05 2 79 . 59 LYS HG3 H 1.47 0.05 2 80 . 59 LYS CD C 29.9 0.2 1 81 . 59 LYS CE C 41.3 0.2 1 82 . 59 LYS HE2 H 2.95 0.05 1 83 . 59 LYS HE3 H 2.95 0.05 1 84 . 59 LYS C C 181.1 0.2 1 85 . 60 GLU N N 122.7 0.2 1 86 . 60 GLU H H 7.99 0.05 1 87 . 60 GLU CA C 59.4 0.2 1 88 . 60 GLU HA H 3.98 0.05 1 89 . 60 GLU CB C 29.0 0.2 1 90 . 60 GLU HB2 H 2.00 0.05 2 91 . 60 GLU HB3 H 2.27 0.05 2 92 . 60 GLU CG C 35.8 0.2 1 93 . 60 GLU HG2 H 2.38 0.05 2 94 . 60 GLU HG3 H 1.99 0.05 2 95 . 60 GLU C C 177.3 0.2 1 96 . 61 TYR N N 117.4 0.2 1 97 . 61 TYR H H 7.66 0.05 1 98 . 61 TYR CA C 59.7 0.2 1 99 . 61 TYR HA H 4.13 0.05 1 100 . 61 TYR CB C 37.7 0.2 1 101 . 61 TYR HB2 H 3.47 0.05 2 102 . 61 TYR HB3 H 2.50 0.05 2 103 . 61 TYR C C 172.9 0.2 1 104 . 62 ASP N N 118.6 0.2 1 105 . 62 ASP H H 8.02 0.05 1 106 . 62 ASP CA C 55.7 0.2 1 107 . 62 ASP HA H 4.34 0.05 1 108 . 62 ASP CB C 40.6 0.2 1 109 . 62 ASP HB2 H 3.05 0.05 2 110 . 62 ASP HB3 H 2.21 0.05 2 111 . 63 LEU N N 117.0 0.2 1 112 . 63 LEU H H 8.11 0.05 1 113 . 63 LEU CA C 51.7 0.2 1 114 . 63 LEU HA H 4.72 0.05 1 115 . 63 LEU CB C 43.8 0.2 1 116 . 63 LEU HB2 H 1.42 0.05 2 117 . 63 LEU HB3 H 1.01 0.05 2 118 . 63 LEU CG C 27.2 0.2 1 119 . 63 LEU HG H 1.65 0.05 1 120 . 63 LEU HD1 H 0.69 0.05 2 121 . 63 LEU HD2 H 0.65 0.05 2 122 . 63 LEU CD1 C 27.4 0.2 1 123 . 63 LEU C C 173.4 0.2 1 124 . 64 PRO CA C 61.4 0.2 1 125 . 64 PRO HA H 4.60 0.05 1 126 . 64 PRO CB C 32.0 0.2 1 127 . 64 PRO HB2 H 2.11 0.05 2 128 . 64 PRO CG C 28.0 0.2 1 129 . 64 PRO HG2 H 1.78 0.05 2 130 . 64 PRO HG3 H 1.57 0.05 2 131 . 64 PRO HD2 H 3.47 0.05 2 132 . 64 PRO HD3 H 3.22 0.05 2 133 . 64 PRO C C 178.1 0.2 1 134 . 65 ILE N N 114.4 0.2 1 135 . 65 ILE H H 8.34 0.05 1 136 . 65 ILE CA C 64.8 0.2 1 137 . 65 ILE HA H 4.03 0.05 1 138 . 65 ILE CB C 38.4 0.2 1 139 . 65 ILE HB H 1.95 0.05 1 140 . 65 ILE HG2 H 1.19 0.05 1 141 . 65 ILE CG2 C 19.2 0.2 1 142 . 65 ILE CG1 C 25.9 0.2 1 143 . 65 ILE HG12 H 1.29 0.05 2 144 . 65 ILE HG13 H 1.08 0.05 2 145 . 65 ILE HD1 H 0.94 0.05 1 146 . 65 ILE CD1 C 14.9 0.2 1 147 . 65 ILE C C 176.1 0.2 1 148 . 66 GLY N N 105.0 0.2 1 149 . 66 GLY H H 8.34 0.05 1 150 . 66 GLY CA C 46.4 0.2 1 151 . 66 GLY HA2 H 4.44 0.05 2 152 . 66 GLY HA3 H 3.78 0.05 2 153 . 66 GLY C C 175.2 0.2 1 154 . 67 ILE N N 113.0 0.2 1 155 . 67 ILE H H 7.17 0.05 1 156 . 67 ILE CA C 64.5 0.2 1 157 . 67 ILE HA H 4.17 0.05 1 158 . 67 ILE CB C 38.3 0.2 1 159 . 67 ILE HB H 1.91 0.05 1 160 . 67 ILE HG2 H 0.82 0.05 1 161 . 67 ILE CG2 C 18.0 0.2 1 162 . 67 ILE CG1 C 25.0 0.2 1 163 . 67 ILE HG12 H 1.52 0.05 2 164 . 67 ILE HG13 H 0.98 0.05 2 165 . 67 ILE HD1 H 0.60 0.05 1 166 . 67 ILE CD1 C 15.3 0.2 1 167 . 67 ILE C C 170.4 0.2 1 168 . 68 PHE N N 108.6 0.2 1 169 . 68 PHE H H 6.69 0.05 1 170 . 68 PHE CA C 55.0 0.2 1 171 . 68 PHE HA H 4.70 0.05 1 172 . 68 PHE CB C 41.6 0.2 1 173 . 68 PHE HB2 H 2.74 0.05 2 174 . 68 PHE HB3 H 2.62 0.05 2 175 . 69 PRO CD C 49.8 0.2 1 176 . 69 PRO CA C 62.7 0.2 1 177 . 69 PRO HA H 4.65 0.05 1 178 . 69 PRO CB C 32.3 0.2 1 179 . 69 PRO HB2 H 2.12 0.05 2 180 . 69 PRO HB3 H 2.07 0.05 2 181 . 69 PRO CG C 28.8 0.2 1 182 . 69 PRO HG2 H 1.53 0.05 2 183 . 69 PRO HG3 H 1.34 0.05 2 184 . 69 PRO HD2 H 2.91 0.05 2 185 . 69 PRO HD3 H 2.05 0.05 2 186 . 69 PRO C C 177.8 0.2 1 187 . 70 GLY N N 109.4 0.2 1 188 . 70 GLY H H 8.88 0.05 1 189 . 70 GLY CA C 46.7 0.2 1 190 . 70 GLY HA2 H 3.77 0.05 1 191 . 70 GLY HA3 H 3.77 0.05 1 192 . 70 GLY C C 173.3 0.2 1 193 . 71 ASP N N 114.0 0.2 1 194 . 71 ASP H H 9.13 0.05 1 195 . 71 ASP CA C 52.8 0.2 1 196 . 71 ASP HA H 4.49 0.05 1 197 . 71 ASP CB C 38.3 0.2 1 198 . 71 ASP HB2 H 2.79 0.05 2 199 . 71 ASP HB3 H 2.54 0.05 2 200 . 71 ASP C C 175.2 0.2 1 201 . 72 ALA N N 122.3 0.2 1 202 . 72 ALA H H 7.29 0.05 1 203 . 72 ALA CA C 52.6 0.2 1 204 . 72 ALA HA H 4.56 0.05 1 205 . 72 ALA HB H 1.21 0.05 1 206 . 72 ALA CB C 18.5 0.2 1 207 . 72 ALA C C 175.6 0.2 1 208 . 73 THR N N 114.5 0.2 1 209 . 73 THR H H 8.43 0.05 1 210 . 73 THR CA C 63.1 0.2 1 211 . 73 THR HA H 4.38 0.05 1 212 . 73 THR CB C 70.7 0.2 1 213 . 73 THR HB H 4.20 0.05 1 214 . 73 THR HG2 H 1.19 0.05 1 215 . 73 THR CG2 C 22.0 0.2 1 216 . 73 THR C C 174.9 0.2 1 217 . 74 ASN N N 121.3 0.2 1 218 . 74 ASN H H 8.61 0.05 1 219 . 74 ASN CA C 53.3 0.2 1 220 . 74 ASN HA H 4.99 0.05 1 221 . 74 ASN CB C 40.8 0.2 1 222 . 74 ASN HB2 H 2.84 0.05 2 223 . 74 ASN HB3 H 2.76 0.05 2 224 . 74 ASN ND2 N 113.3 0.2 1 225 . 74 ASN HD21 H 7.65 0.05 2 226 . 74 ASN HD22 H 7.47 0.05 2 227 . 74 ASN C C 172.3 0.2 1 228 . 75 TYR N N 117.6 0.2 1 229 . 75 TYR H H 8.18 0.05 1 230 . 75 TYR CA C 56.0 0.2 1 231 . 75 TYR HA H 5.41 0.05 1 232 . 75 TYR CB C 42.2 0.2 1 233 . 75 TYR HB2 H 3.10 0.05 2 234 . 75 TYR HB3 H 2.72 0.05 2 235 . 75 TYR C C 172.6 0.2 1 236 . 76 GLU N N 120.1 0.2 1 237 . 76 GLU H H 9.45 0.05 1 238 . 76 GLU CA C 55.6 0.2 1 239 . 76 GLU HA H 4.47 0.05 1 240 . 76 GLU CB C 33.7 0.2 1 241 . 76 GLU HB2 H 2.01 0.05 2 242 . 76 GLU HB3 H 1.87 0.05 2 243 . 76 GLU CG C 35.8 0.2 1 244 . 76 GLU HG2 H 2.18 0.05 1 245 . 76 GLU HG3 H 2.18 0.05 1 246 . 76 GLU C C 174.4 0.2 1 247 . 77 PHE N N 125.2 0.2 1 248 . 77 PHE H H 9.00 0.05 1 249 . 77 PHE CA C 55.9 0.2 1 250 . 77 PHE HA H 5.70 0.05 1 251 . 77 PHE CB C 42.3 0.2 1 252 . 77 PHE HB2 H 3.05 0.05 1 253 . 77 PHE HB3 H 3.05 0.05 1 254 . 77 PHE C C 173.1 0.2 1 255 . 78 ASP N N 129.1 0.2 1 256 . 78 ASP H H 7.93 0.05 1 257 . 78 ASP CA C 52.8 0.2 1 258 . 78 ASP HA H 4.63 0.05 1 259 . 78 ASP CB C 42.7 0.2 1 260 . 78 ASP HB2 H 2.95 0.05 2 261 . 78 ASP HB3 H 2.45 0.05 2 262 . 79 GLU N N 125.0 0.2 1 263 . 79 GLU H H 8.59 0.05 1 264 . 79 GLU CA C 59.2 0.2 1 265 . 79 GLU HA H 3.38 0.05 1 266 . 79 GLU CB C 29.7 0.2 1 267 . 79 GLU HB2 H 2.07 0.05 2 268 . 79 GLU HB3 H 1.92 0.05 2 269 . 79 GLU CG C 36.8 0.2 1 270 . 79 GLU HG2 H 2.30 0.05 1 271 . 79 GLU HG3 H 2.30 0.05 1 272 . 79 GLU C C 177.3 0.2 1 273 . 80 GLU N N 118.0 0.2 1 274 . 80 GLU H H 8.40 0.05 1 275 . 80 GLU CA C 59.1 0.2 1 276 . 80 GLU HA H 4.23 0.05 1 277 . 80 GLU CB C 29.9 0.2 1 278 . 80 GLU HB2 H 2.17 0.05 1 279 . 80 GLU HB3 H 2.17 0.05 1 280 . 80 GLU CG C 36.2 0.2 1 281 . 80 GLU HG2 H 2.31 0.05 1 282 . 80 GLU HG3 H 2.31 0.05 1 283 . 80 GLU C C 178.1 0.2 1 284 . 81 THR N N 108.0 0.2 1 285 . 81 THR H H 7.56 0.05 1 286 . 81 THR CA C 62.4 0.2 1 287 . 81 THR HA H 4.38 0.05 1 288 . 81 THR CB C 70.7 0.2 1 289 . 81 THR HB H 4.39 0.05 1 290 . 81 THR HG2 H 1.24 0.05 1 291 . 81 THR C C 178.3 0.2 1 292 . 82 LYS N N 116.6 0.2 1 293 . 82 LYS H H 8.12 0.05 1 294 . 82 LYS CA C 57.6 0.2 1 295 . 82 LYS HA H 3.76 0.05 1 296 . 82 LYS CB C 28.3 0.2 1 297 . 82 LYS HB2 H 2.50 0.05 2 298 . 82 LYS HB3 H 1.83 0.05 2 299 . 82 LYS CG C 25.6 0.2 1 300 . 82 LYS HG2 H 1.43 0.05 2 301 . 82 LYS HG3 H 1.32 0.05 2 302 . 82 LYS HD2 H 1.72 0.05 2 303 . 82 LYS HD3 H 1.70 0.05 2 304 . 82 LYS CE C 43.3 0.2 1 305 . 82 LYS HE2 H 3.21 0.05 2 306 . 82 LYS HE3 H 3.15 0.05 2 307 . 83 LYS N N 119.3 0.2 1 308 . 83 LYS H H 7.43 0.05 1 309 . 83 LYS CA C 57.6 0.2 1 310 . 83 LYS HA H 4.64 0.05 1 311 . 83 LYS CB C 34.0 0.2 1 312 . 83 LYS HB2 H 1.86 0.05 2 313 . 83 LYS HB3 H 1.68 0.05 2 314 . 83 LYS CG C 25.6 0.2 1 315 . 83 LYS HG2 H 1.35 0.05 2 316 . 83 LYS HG3 H 1.32 0.05 2 317 . 83 LYS CD C 29.8 0.2 1 318 . 83 LYS HE2 H 2.94 0.05 1 319 . 83 LYS HE3 H 2.94 0.05 1 320 . 83 LYS C C 175.1 0.2 1 321 . 84 LEU N N 133.6 0.2 1 322 . 84 LEU H H 9.43 0.05 1 323 . 84 LEU CA C 54.1 0.2 1 324 . 84 LEU HA H 5.38 0.05 1 325 . 84 LEU CB C 46.0 0.2 1 326 . 84 LEU HB2 H 1.80 0.05 2 327 . 84 LEU HB3 H 1.20 0.05 2 328 . 84 LEU HG H 1.34 0.05 1 329 . 84 LEU HD1 H 0.69 0.05 2 330 . 84 LEU HD2 H 0.56 0.05 2 331 . 84 LEU CD1 C 23.9 0.2 1 332 . 84 LEU CD2 C 26.0 0.2 1 333 . 84 LEU C C 174.4 0.2 1 334 . 85 THR N N 123.4 0.2 1 335 . 85 THR H H 9.15 0.05 1 336 . 85 THR CA C 62.1 0.2 1 337 . 85 THR HA H 5.22 0.05 1 338 . 85 THR CB C 71.3 0.2 1 339 . 85 THR HB H 4.00 0.05 1 340 . 85 THR HG2 H 1.10 0.05 1 341 . 85 THR CG2 C 21.3 0.2 1 342 . 85 THR C C 173.6 0.2 1 343 . 86 VAL N N 128.0 0.2 1 344 . 86 VAL H H 9.85 0.05 1 345 . 86 VAL CA C 62.5 0.2 1 346 . 86 VAL HA H 4.26 0.05 1 347 . 86 VAL CB C 35.0 0.2 1 348 . 86 VAL HB H 1.53 0.05 1 349 . 86 VAL HG1 H 0.41 0.05 2 350 . 86 VAL HG2 H 0.11 0.05 2 351 . 86 VAL CG1 C 21.9 0.2 1 352 . 86 VAL CG2 C 20.9 0.2 1 353 . 86 VAL C C 173.6 0.2 1 354 . 87 LEU N N 127.5 0.2 1 355 . 87 LEU H H 8.20 0.05 1 356 . 87 LEU CA C 54.3 0.2 1 357 . 87 LEU HA H 5.06 0.05 1 358 . 87 LEU CB C 41.5 0.2 1 359 . 87 LEU HB2 H 1.73 0.05 2 360 . 87 LEU HB3 H 1.48 0.05 2 361 . 87 LEU CG C 27.9 0.2 1 362 . 87 LEU HG H 1.62 0.05 1 363 . 87 LEU HD1 H 0.83 0.05 2 364 . 87 LEU HD2 H 0.87 0.05 2 365 . 87 LEU CD1 C 25.2 0.2 1 366 . 87 LEU CD2 C 23.9 0.2 1 367 . 87 LEU C C 175.4 0.2 1 368 . 88 ILE N N 127.4 0.2 1 369 . 88 ILE H H 8.62 0.05 1 370 . 88 ILE CA C 57.9 0.2 1 371 . 88 ILE HA H 4.49 0.05 1 372 . 88 ILE CB C 40.8 0.2 1 373 . 88 ILE HB H 2.09 0.05 1 374 . 88 ILE HG2 H 0.87 0.05 1 375 . 88 ILE CG2 C 18.8 0.2 1 376 . 88 ILE CG1 C 29.5 0.2 1 377 . 88 ILE HG12 H 1.61 0.05 2 378 . 88 ILE HG13 H 0.91 0.05 2 379 . 88 ILE HD1 H 0.82 0.05 1 380 . 88 ILE CD1 C 14.2 0.2 1 381 . 89 PRO CD C 51.8 0.2 1 382 . 89 PRO CA C 66.5 0.2 1 383 . 89 PRO HA H 4.17 0.05 1 384 . 89 PRO CB C 32.8 0.2 1 385 . 89 PRO HB2 H 2.34 0.05 2 386 . 89 PRO HB3 H 1.97 0.05 2 387 . 89 PRO CG C 28.2 0.2 1 388 . 89 PRO HG2 H 2.10 0.05 2 389 . 89 PRO HG3 H 2.03 0.05 2 390 . 89 PRO HD2 H 3.78 0.05 2 391 . 89 PRO HD3 H 3.55 0.05 2 392 . 89 PRO C C 176.5 0.2 1 393 . 90 SER N N 109.5 0.2 1 394 . 90 SER H H 7.23 0.05 1 395 . 90 SER CA C 57.1 0.2 1 396 . 90 SER HA H 4.49 0.05 1 397 . 90 SER CB C 66.8 0.2 1 398 . 90 SER HB2 H 3.67 0.05 1 399 . 90 SER HB3 H 3.67 0.05 1 400 . 90 SER C C 172.0 0.2 1 401 . 91 ILE N N 122.9 0.2 1 402 . 91 ILE H H 8.12 0.05 1 403 . 91 ILE CA C 63.0 0.2 1 404 . 91 ILE HA H 4.55 0.05 1 405 . 91 ILE CB C 37.7 0.2 1 406 . 91 ILE HB H 1.81 0.05 1 407 . 91 ILE HG2 H 0.83 0.05 1 408 . 91 ILE CG2 C 18.0 0.2 1 409 . 91 ILE CG1 C 29.2 0.2 1 410 . 91 ILE HG12 H 1.85 0.05 2 411 . 91 ILE HG13 H 1.15 0.05 2 412 . 91 ILE HD1 H 0.97 0.05 1 413 . 91 ILE CD1 C 14.7 0.2 1 414 . 91 ILE C C 178.1 0.2 1 415 . 92 CYS N N 120.9 0.2 1 416 . 92 CYS H H 8.87 0.05 1 417 . 92 CYS CA C 56.3 0.2 1 418 . 92 CYS HA H 5.76 0.05 1 419 . 92 CYS CB C 31.8 0.2 1 420 . 92 CYS HB2 H 3.04 0.05 2 421 . 92 CYS HB3 H 2.25 0.05 2 422 . 92 CYS C C 171.8 0.2 1 423 . 93 GLU N N 118.2 0.2 1 424 . 93 GLU H H 9.12 0.05 1 425 . 93 GLU CA C 54.6 0.2 1 426 . 93 GLU HA H 5.75 0.05 1 427 . 93 GLU CB C 34.6 0.2 1 428 . 93 GLU HB2 H 2.02 0.05 1 429 . 93 GLU HB3 H 2.02 0.05 1 430 . 93 GLU CG C 36.6 0.2 1 431 . 93 GLU HG2 H 2.27 0.05 2 432 . 93 GLU HG3 H 2.22 0.05 2 433 . 93 GLU C C 176.3 0.2 1 434 . 94 VAL N N 123.2 0.2 1 435 . 94 VAL H H 9.47 0.05 1 436 . 94 VAL CA C 63.0 0.2 1 437 . 94 VAL HA H 4.21 0.05 1 438 . 94 VAL CB C 35.4 0.2 1 439 . 94 VAL HB H 2.19 0.05 1 440 . 94 VAL HG1 H 0.90 0.05 2 441 . 94 VAL HG2 H 0.41 0.05 2 442 . 94 VAL CG1 C 22.8 0.2 1 443 . 94 VAL CG2 C 22.7 0.2 1 444 . 94 VAL C C 173.2 0.2 1 445 . 95 GLY N N 112.2 0.2 1 446 . 95 GLY H H 7.74 0.05 1 447 . 95 GLY CA C 44.0 0.2 1 448 . 95 GLY HA2 H 4.99 0.05 2 449 . 95 GLY HA3 H 3.54 0.05 2 450 . 95 GLY C C 173.2 0.2 1 451 . 96 TYR N N 120.0 0.2 1 452 . 96 TYR H H 8.15 0.05 1 453 . 96 TYR CA C 58.3 0.2 1 454 . 96 TYR HA H 4.52 0.05 1 455 . 96 TYR CB C 41.0 0.2 1 456 . 96 TYR HB2 H 2.61 0.05 2 457 . 96 TYR HB3 H 2.47 0.05 2 458 . 96 TYR C C 179.3 0.2 1 459 . 97 LYS N N 120.0 0.2 1 460 . 97 LYS H H 9.13 0.05 1 461 . 97 LYS CA C 59.2 0.2 1 462 . 97 LYS HA H 4.22 0.05 1 463 . 97 LYS CB C 32.4 0.2 1 464 . 97 LYS HB2 H 1.97 0.05 1 465 . 97 LYS HB3 H 1.97 0.05 1 466 . 97 LYS CG C 24.7 0.2 1 467 . 97 LYS HG2 H 1.55 0.05 1 468 . 97 LYS HG3 H 1.55 0.05 1 469 . 97 LYS CD C 29.7 0.2 1 470 . 97 LYS HD2 H 1.75 0.05 1 471 . 97 LYS HD3 H 1.75 0.05 1 472 . 97 LYS HE2 H 2.95 0.05 1 473 . 97 LYS HE3 H 2.95 0.05 1 474 . 97 LYS C C 175.8 0.2 1 475 . 98 ASP N N 119.1 0.2 1 476 . 98 ASP H H 7.84 0.05 1 477 . 98 ASP CA C 53.6 0.2 1 478 . 98 ASP HA H 4.72 0.05 1 479 . 98 ASP CB C 40.2 0.2 1 480 . 98 ASP HB2 H 3.18 0.05 2 481 . 98 ASP HB3 H 2.58 0.05 2 482 . 98 ASP C C 176.7 0.2 1 483 . 99 SER N N 111.5 0.2 1 484 . 99 SER H H 8.28 0.05 1 485 . 99 SER CA C 61.8 0.2 1 486 . 99 SER HA H 4.24 0.05 1 487 . 99 SER CB C 62.1 0.2 1 488 . 99 SER C C 173.1 0.2 1 489 . 100 SER N N 117.9 0.2 1 490 . 100 SER H H 8.10 0.05 1 491 . 100 SER CA C 58.7 0.2 1 492 . 100 SER HA H 4.53 0.05 1 493 . 100 SER CB C 65.0 0.2 1 494 . 100 SER HB2 H 3.84 0.05 1 495 . 100 SER HB3 H 3.84 0.05 1 496 . 100 SER C C 173.0 0.2 1 497 . 101 VAL N N 116.9 0.2 1 498 . 101 VAL H H 8.45 0.05 1 499 . 101 VAL CA C 60.9 0.2 1 500 . 101 VAL HA H 5.65 0.05 1 501 . 101 VAL CB C 36.9 0.2 1 502 . 101 VAL HB H 2.05 0.05 1 503 . 101 VAL HG1 H 1.02 0.05 2 504 . 101 VAL HG2 H 1.07 0.05 2 505 . 101 VAL CG1 C 22.1 0.2 1 506 . 101 VAL C C 175.3 0.2 1 507 . 102 LEU N N 127.2 0.2 1 508 . 102 LEU H H 9.17 0.05 1 509 . 102 LEU CA C 54.2 0.2 1 510 . 102 LEU HA H 5.43 0.05 1 511 . 102 LEU CB C 46.7 0.2 1 512 . 102 LEU HB2 H 2.22 0.05 2 513 . 102 LEU HB3 H 1.02 0.05 2 514 . 102 LEU CG C 25.7 0.2 1 515 . 102 LEU HG H 1.91 0.05 1 516 . 102 LEU HD1 H 0.69 0.05 2 517 . 102 LEU HD2 H 1.27 0.05 2 518 . 102 LEU CD1 C 23.5 0.2 1 519 . 102 LEU C C 174.1 0.2 1 520 . 103 LYS N N 121.6 0.2 1 521 . 103 LYS H H 8.93 0.05 1 522 . 103 LYS CA C 54.6 0.2 1 523 . 103 LYS HA H 5.46 0.05 1 524 . 103 LYS CB C 37.0 0.2 1 525 . 103 LYS HB2 H 1.17 0.05 2 526 . 103 LYS HB3 H 1.00 0.05 2 527 . 103 LYS CG C 25.5 0.2 1 528 . 103 LYS HG2 H 1.42 0.05 2 529 . 103 LYS HG3 H 1.26 0.05 2 530 . 103 LYS CD C 30.1 0.2 1 531 . 103 LYS HD2 H 1.16 0.05 2 532 . 103 LYS HD3 H 1.77 0.05 2 533 . 103 LYS C C 173.0 0.2 1 534 . 104 PHE N N 124.4 0.2 1 535 . 104 PHE H H 9.34 0.05 1 536 . 104 PHE CA C 57.2 0.2 1 537 . 104 PHE HA H 5.59 0.05 1 538 . 104 PHE CB C 43.9 0.2 1 539 . 104 PHE HB2 H 3.42 0.05 2 540 . 104 PHE HB3 H 3.04 0.05 2 541 . 104 PHE C C 175.8 0.2 1 542 . 105 THR N N 114.2 0.2 1 543 . 105 THR H H 7.09 0.05 1 544 . 105 THR CA C 58.1 0.2 1 545 . 105 THR HA H 4.62 0.05 1 546 . 105 THR CB C 68.7 0.2 1 547 . 105 THR HB H 2.47 0.05 1 548 . 105 THR HG2 H 0.94 0.05 1 549 . 105 THR CG2 C 22.0 0.2 1 550 . 105 THR C C 172.0 0.2 1 551 . 106 THR N N 104.2 0.2 1 552 . 106 THR H H 7.75 0.05 1 553 . 106 THR CA C 63.9 0.2 1 554 . 106 THR HA H 4.55 0.05 1 555 . 106 THR CB C 69.5 0.2 1 556 . 106 THR HB H 4.20 0.05 1 557 . 106 THR HG2 H 1.11 0.05 1 558 . 106 THR C C 176.3 0.2 1 559 . 107 THR N N 117.4 0.2 1 560 . 107 THR H H 7.12 0.05 1 561 . 107 THR CA C 63.0 0.2 1 562 . 107 THR HA H 5.07 0.05 1 563 . 107 THR CB C 72.0 0.2 1 564 . 107 THR HB H 3.83 0.05 1 565 . 107 THR HG2 H 1.10 0.05 1 566 . 107 THR CG2 C 22.1 0.2 1 567 . 107 THR C C 172.9 0.2 1 568 . 108 VAL N N 128.3 0.2 1 569 . 108 VAL H H 9.15 0.05 1 570 . 108 VAL CA C 60.5 0.2 1 571 . 108 VAL HA H 5.28 0.05 1 572 . 108 VAL CB C 35.7 0.2 1 573 . 108 VAL HB H 1.98 0.05 1 574 . 108 VAL HG1 H 1.25 0.05 2 575 . 108 VAL HG2 H 1.31 0.05 2 576 . 108 VAL CG1 C 21.4 0.2 1 577 . 108 VAL CG2 C 22.9 0.2 1 578 . 108 VAL C C 175.4 0.2 1 579 . 109 THR N N 116.2 0.2 1 580 . 109 THR H H 8.82 0.05 1 581 . 109 THR CA C 58.9 0.2 1 582 . 109 THR HA H 6.08 0.05 1 583 . 109 THR CB C 73.3 0.2 1 584 . 109 THR HB H 4.26 0.05 1 585 . 109 THR HG2 H 1.32 0.05 1 586 . 109 THR CG2 C 22.0 0.2 1 587 . 109 THR C C 173.7 0.2 1 588 . 110 GLY N N 103.3 0.2 1 589 . 110 GLY H H 8.37 0.05 1 590 . 110 GLY CA C 46.2 0.2 1 591 . 110 GLY HA2 H 4.42 0.05 2 592 . 110 GLY HA3 H 3.78 0.05 2 593 . 110 GLY C C 170.7 0.2 1 594 . 111 HIS N N 120.5 0.2 1 595 . 111 HIS H H 9.46 0.05 1 596 . 111 HIS CA C 55.7 0.2 1 597 . 111 HIS HA H 5.34 0.05 1 598 . 111 HIS CB C 29.4 0.2 1 599 . 111 HIS HB2 H 3.44 0.05 2 600 . 111 HIS HB3 H 3.12 0.05 2 601 . 111 HIS C C 173.5 0.2 1 602 . 112 LEU N N 131.0 0.2 1 603 . 112 LEU H H 8.89 0.05 1 604 . 112 LEU CA C 55.4 0.2 1 605 . 112 LEU HA H 4.89 0.05 1 606 . 112 LEU CB C 45.1 0.2 1 607 . 112 LEU HB2 H 1.60 0.05 2 608 . 112 LEU HB3 H 0.83 0.05 2 609 . 112 LEU CG C 25.2 0.2 1 610 . 112 LEU HG H 0.58 0.05 1 611 . 112 LEU HD1 H -0.37 0.05 2 612 . 112 LEU HD2 H 0.53 0.05 2 613 . 112 LEU CD1 C 27.0 0.2 1 614 . 112 LEU CD2 C 25.4 0.2 1 615 . 112 LEU C C 173.7 0.2 1 616 . 113 GLU N N 123.0 0.2 1 617 . 113 GLU H H 8.79 0.05 1 618 . 113 GLU CA C 54.6 0.2 1 619 . 113 GLU HA H 4.77 0.05 1 620 . 113 GLU CB C 34.7 0.2 1 621 . 113 GLU HB2 H 2.30 0.05 2 622 . 113 GLU HB3 H 1.96 0.05 2 623 . 113 GLU CG C 37.0 0.2 1 624 . 113 GLU HG2 H 2.44 0.05 2 625 . 113 GLU HG3 H 2.26 0.05 2 626 . 113 GLU C C 175.2 0.2 1 627 . 114 LYS N N 121.2 0.2 1 628 . 114 LYS H H 8.93 0.05 1 629 . 114 LYS CA C 60.3 0.2 1 630 . 114 LYS HA H 4.10 0.05 1 631 . 114 LYS CB C 31.5 0.2 1 632 . 114 LYS HB2 H 1.86 0.05 1 633 . 114 LYS HB3 H 1.86 0.05 1 634 . 114 LYS CG C 25.6 0.2 1 635 . 114 LYS HG2 H 1.37 0.05 1 636 . 114 LYS HG3 H 1.37 0.05 1 637 . 114 LYS CD C 29.6 0.2 1 638 . 114 LYS HD2 H 1.66 0.05 1 639 . 114 LYS HD3 H 1.66 0.05 1 640 . 114 LYS CE C 36.8 0.2 1 641 . 114 LYS HE2 H 2.90 0.05 1 642 . 114 LYS HE3 H 2.90 0.05 1 643 . 114 LYS C C 178.2 0.2 1 644 . 115 GLY N N 117.2 0.2 1 645 . 115 GLY H H 9.60 0.05 1 646 . 115 GLY CA C 46.7 0.2 1 647 . 115 GLY HA2 H 3.80 0.05 1 648 . 115 GLY HA3 H 3.80 0.05 1 649 . 115 GLY C C 177.4 0.2 1 650 . 116 LYS N N 118.4 0.2 1 651 . 116 LYS H H 8.39 0.05 1 652 . 116 LYS CA C 57.1 0.2 1 653 . 116 LYS HA H 5.10 0.05 1 654 . 116 LYS CB C 37.1 0.2 1 655 . 116 LYS HB2 H 1.82 0.05 2 656 . 116 LYS HB3 H 1.60 0.05 2 657 . 116 LYS CG C 24.9 0.2 1 658 . 116 LYS HG2 H 1.47 0.05 2 659 . 116 LYS HG3 H 1.35 0.05 2 660 . 116 LYS CD C 30.1 0.2 1 661 . 116 LYS HD2 H 1.66 0.05 1 662 . 116 LYS HD3 H 1.66 0.05 1 663 . 116 LYS CE C 35.6 0.2 1 664 . 116 LYS HE2 H 2.96 0.05 1 665 . 116 LYS HE3 H 2.96 0.05 1 666 . 116 LYS C C 172.2 0.2 1 667 . 117 LEU N N 127.1 0.2 1 668 . 117 LEU H H 9.23 0.05 1 669 . 117 LEU CA C 53.7 0.2 1 670 . 117 LEU HA H 5.47 0.05 1 671 . 117 LEU CB C 45.2 0.2 1 672 . 117 LEU HB2 H 1.82 0.05 2 673 . 117 LEU HB3 H 1.12 0.05 2 674 . 117 LEU HG H 1.48 0.05 1 675 . 117 LEU HD1 H 0.78 0.05 2 676 . 117 LEU HD2 H 0.77 0.05 2 677 . 117 LEU CD1 C 24.8 0.2 1 678 . 117 LEU CD2 C 26.3 0.2 1 679 . 117 LEU C C 175.7 0.2 1 680 . 118 THR N N 115.9 0.2 1 681 . 118 THR H H 9.37 0.05 1 682 . 118 THR CA C 60.5 0.2 1 683 . 118 THR HA H 5.05 0.05 1 684 . 118 THR CB C 72.2 0.2 1 685 . 118 THR HB H 4.48 0.05 1 686 . 118 THR HG2 H 1.27 0.05 1 687 . 118 THR CG2 C 22.6 0.2 1 688 . 118 THR C C 173.8 0.2 1 689 . 119 ASP N N 120.0 0.2 1 690 . 119 ASP H H 9.14 0.05 1 691 . 119 ASP CA C 55.4 0.2 1 692 . 119 ASP HA H 4.46 0.05 1 693 . 119 ASP CB C 39.8 0.2 1 694 . 119 ASP HB2 H 3.01 0.05 2 695 . 119 ASP HB3 H 2.81 0.05 2 696 . 119 ASP C C 174.9 0.2 1 697 . 120 VAL N N 117.1 0.2 1 698 . 120 VAL H H 7.94 0.05 1 699 . 120 VAL CA C 64.2 0.2 1 700 . 120 VAL HA H 4.47 0.05 1 701 . 120 VAL CB C 31.9 0.2 1 702 . 120 VAL HB H 1.98 0.05 1 703 . 120 VAL HG1 H 0.93 0.05 2 704 . 120 VAL HG2 H 0.75 0.05 2 705 . 120 VAL CG1 C 22.8 0.2 1 706 . 120 VAL CG2 C 24.3 0.2 1 707 . 120 VAL C C 177.4 0.2 1 708 . 121 GLU N N 128.2 0.2 1 709 . 121 GLU H H 9.20 0.05 1 710 . 121 GLU CA C 55.6 0.2 1 711 . 121 GLU HA H 4.81 0.05 1 712 . 121 GLU CB C 32.1 0.2 1 713 . 121 GLU HB2 H 2.08 0.05 2 714 . 121 GLU HB3 H 2.02 0.05 2 715 . 121 GLU HG2 H 2.33 0.05 2 716 . 121 GLU HG3 H 1.78 0.05 2 717 . 121 GLU C C 175.4 0.2 1 718 . 122 GLY N N 110.2 0.2 1 719 . 122 GLY H H 8.33 0.05 1 720 . 122 GLY CA C 46.7 0.2 1 721 . 122 GLY HA2 H 4.82 0.05 2 722 . 122 GLY HA3 H 3.67 0.05 2 723 . 123 ILE N N 115.9 0.2 1 724 . 123 ILE H H 8.14 0.05 1 725 . 123 ILE CA C 61.0 0.2 1 726 . 123 ILE HA H 5.38 0.05 1 727 . 123 ILE CB C 42.1 0.2 1 728 . 123 ILE HB H 1.53 0.05 1 729 . 123 ILE HG2 H 0.70 0.05 1 730 . 123 ILE CG2 C 18.4 0.2 1 731 . 123 ILE CG1 C 27.7 0.2 1 732 . 123 ILE HG12 H 1.74 0.05 2 733 . 123 ILE HD1 H 0.86 0.05 1 734 . 123 ILE CD1 C 13.8 0.2 1 735 . 123 ILE C C 176.5 0.2 1 736 . 124 LYS N N 126.3 0.2 1 737 . 124 LYS H H 9.50 0.05 1 738 . 124 LYS CA C 55.3 0.2 1 739 . 124 LYS HA H 5.37 0.05 1 740 . 124 LYS CB C 39.9 0.2 1 741 . 124 LYS HB2 H 1.95 0.05 2 742 . 124 LYS HB3 H 1.24 0.05 2 743 . 124 LYS CG C 26.6 0.2 1 744 . 124 LYS HG2 H 0.96 0.05 1 745 . 124 LYS HG3 H 0.96 0.05 1 746 . 124 LYS CD C 30.4 0.2 1 747 . 124 LYS CE C 41.8 0.2 1 748 . 124 LYS C C 174.8 0.2 1 749 . 125 THR N N 113.7 0.2 1 750 . 125 THR H H 9.38 0.05 1 751 . 125 THR CA C 59.6 0.2 1 752 . 125 THR HA H 5.36 0.05 1 753 . 125 THR CB C 71.6 0.2 1 754 . 125 THR HB H 3.78 0.05 1 755 . 125 THR HG2 H 0.81 0.05 1 756 . 125 THR CG2 C 18.8 0.2 1 757 . 125 THR C C 170.4 0.2 1 758 . 126 LYS N N 127.4 0.2 1 759 . 126 LYS H H 6.63 0.05 1 760 . 126 LYS CA C 56.3 0.2 1 761 . 126 LYS HA H 4.04 0.05 1 762 . 126 LYS CB C 32.8 0.2 1 763 . 126 LYS HB2 H 1.12 0.05 2 764 . 126 LYS HB3 H -0.22 0.05 2 765 . 126 LYS CG C 24.9 0.2 1 766 . 126 LYS HG2 H 0.32 0.05 2 767 . 126 LYS HG3 H -0.25 0.05 2 768 . 126 LYS CD C 29.0 0.2 1 769 . 126 LYS HD2 H 0.84 0.05 1 770 . 126 LYS HD3 H 0.84 0.05 1 771 . 126 LYS CE C 41.7 0.2 1 772 . 126 LYS HE2 H 2.31 0.05 2 773 . 126 LYS HE3 H 2.27 0.05 2 774 . 126 LYS C C 175.7 0.2 1 775 . 127 VAL N N 131.4 0.2 1 776 . 127 VAL H H 8.46 0.05 1 777 . 127 VAL CA C 63.2 0.2 1 778 . 127 VAL HA H 4.06 0.05 1 779 . 127 VAL CB C 32.1 0.2 1 780 . 127 VAL HB H 2.17 0.05 1 781 . 127 VAL HG1 H 0.97 0.05 2 782 . 127 VAL HG2 H 0.88 0.05 2 783 . 127 VAL CG1 C 22.1 0.2 1 784 . 127 VAL CG2 C 20.7 0.2 1 785 . 127 VAL C C 176.2 0.2 1 786 . 128 MET N N 120.8 0.2 1 787 . 128 MET H H 8.63 0.05 1 788 . 128 MET CA C 61.1 0.2 1 789 . 128 MET HA H 3.94 0.05 1 790 . 128 MET CB C 32.1 0.2 1 791 . 128 MET HB2 H 2.62 0.05 2 792 . 128 MET HB3 H 2.53 0.05 2 793 . 128 MET CG C 30.9 0.2 1 794 . 129 ILE N N 114.1 0.2 1 795 . 129 ILE H H 8.02 0.05 1 796 . 129 ILE CA C 59.9 0.2 1 797 . 129 ILE HA H 4.41 0.05 1 798 . 129 ILE CB C 41.8 0.2 1 799 . 129 ILE HB H 2.14 0.05 1 800 . 129 ILE HG2 H 0.95 0.05 1 801 . 129 ILE CG2 C 18.6 0.2 1 802 . 129 ILE CG1 C 25.9 0.2 1 803 . 129 ILE HG12 H 1.20 0.05 2 804 . 129 ILE HG13 H 1.03 0.05 2 805 . 129 ILE HD1 H 0.90 0.05 1 806 . 129 ILE CD1 C 14.2 0.2 1 807 . 130 TRP N N 121.1 0.2 1 808 . 130 TRP H H 8.37 0.05 1 809 . 130 TRP CA C 58.6 0.2 1 810 . 130 TRP HA H 4.75 0.05 1 811 . 130 TRP CB C 30.6 0.2 1 812 . 130 TRP HB2 H 3.14 0.05 2 813 . 130 TRP HB3 H 2.76 0.05 2 814 . 130 TRP C C 176.6 0.2 1 815 . 131 VAL N N 122.4 0.2 1 816 . 131 VAL H H 9.29 0.05 1 817 . 131 VAL CA C 60.9 0.2 1 818 . 131 VAL HA H 4.55 0.05 1 819 . 131 VAL CB C 36.4 0.2 1 820 . 131 VAL HB H 1.96 0.05 1 821 . 131 VAL HG1 H 1.01 0.05 2 822 . 131 VAL HG2 H 0.97 0.05 2 823 . 131 VAL CG1 C 21.8 0.2 1 824 . 131 VAL CG2 C 20.7 0.2 1 825 . 131 VAL C C 174.8 0.2 1 826 . 132 LYS N N 125.5 0.2 1 827 . 132 LYS H H 8.68 0.05 1 828 . 132 LYS CA C 58.9 0.2 1 829 . 132 LYS HA H 4.26 0.05 1 830 . 132 LYS CB C 34.1 0.2 1 831 . 132 LYS HB2 H 1.89 0.05 1 832 . 132 LYS HB3 H 1.89 0.05 1 833 . 132 LYS CG C 26.4 0.2 1 834 . 132 LYS HG2 H 1.25 0.05 2 835 . 132 LYS HG3 H 1.69 0.05 2 836 . 132 LYS CD C 30.4 0.2 1 837 . 132 LYS CE C 39.3 0.2 1 838 . 132 LYS HE2 H 3.22 0.05 2 839 . 132 LYS HE3 H 3.12 0.05 2 840 . 132 LYS C C 175.9 0.2 1 841 . 133 VAL N N 127.0 0.2 1 842 . 133 VAL H H 8.41 0.05 1 843 . 133 VAL CA C 61.5 0.2 1 844 . 133 VAL HA H 4.62 0.05 1 845 . 133 VAL CB C 33.3 0.2 1 846 . 133 VAL HB H 1.91 0.05 1 847 . 133 VAL HG1 H 0.98 0.05 2 848 . 133 VAL HG2 H 1.03 0.05 2 849 . 133 VAL CG1 C 23.2 0.2 1 850 . 133 VAL C C 175.2 0.2 1 851 . 134 THR N N 114.2 0.2 1 852 . 134 THR H H 8.99 0.05 1 853 . 134 THR CA C 62.7 0.2 1 854 . 134 THR HA H 4.88 0.05 1 855 . 134 THR CB C 69.9 0.2 1 856 . 134 THR HB H 4.60 0.05 1 857 . 134 THR HG2 H 1.29 0.05 1 858 . 134 THR CG2 C 22.7 0.2 1 859 . 134 THR C C 176.0 0.2 1 860 . 135 SER N N 115.1 0.2 1 861 . 135 SER H H 7.48 0.05 1 862 . 135 SER CA C 58.5 0.2 1 863 . 135 SER HA H 5.25 0.05 1 864 . 135 SER CB C 66.5 0.2 1 865 . 135 SER HB2 H 4.00 0.05 2 866 . 135 SER HB3 H 3.96 0.05 2 867 . 135 SER C C 172.0 0.2 1 868 . 136 ILE N N 124.7 0.2 1 869 . 136 ILE H H 9.16 0.05 1 870 . 136 ILE CA C 60.8 0.2 1 871 . 136 ILE HA H 4.84 0.05 1 872 . 136 ILE CB C 42.5 0.2 1 873 . 136 ILE HB H 1.47 0.05 1 874 . 136 ILE HG2 H 0.23 0.05 1 875 . 136 ILE CG2 C 16.7 0.2 1 876 . 136 ILE CG1 C 27.9 0.2 1 877 . 136 ILE HD1 H 0.79 0.05 1 878 . 136 ILE CD1 C 14.3 0.2 1 879 . 136 ILE C C 173.9 0.2 1 880 . 137 SER N N 120.5 0.2 1 881 . 137 SER H H 8.84 0.05 1 882 . 137 SER CA C 57.0 0.2 1 883 . 137 SER HA H 5.60 0.05 1 884 . 137 SER CB C 67.1 0.2 1 885 . 137 SER HB2 H 4.22 0.05 2 886 . 137 SER HB3 H 3.85 0.05 2 887 . 137 SER C C 173.8 0.2 1 888 . 138 THR N N 108.1 0.2 1 889 . 138 THR H H 8.50 0.05 1 890 . 138 THR CA C 59.6 0.2 1 891 . 138 THR HA H 5.56 0.05 1 892 . 138 THR CB C 73.3 0.2 1 893 . 138 THR HB H 4.71 0.05 1 894 . 138 THR HG2 H 1.14 0.05 1 895 . 138 THR CG2 C 23.7 0.2 1 896 . 138 THR C C 176.2 0.2 1 897 . 139 ASP N N 120.8 0.2 1 898 . 139 ASP H H 8.64 0.05 1 899 . 139 ASP CA C 54.4 0.2 1 900 . 139 ASP HA H 4.76 0.05 1 901 . 139 ASP CB C 42.6 0.2 1 902 . 139 ASP HB2 H 3.44 0.05 2 903 . 139 ASP HB3 H 2.92 0.05 2 904 . 139 ASP C C 176.1 0.2 1 905 . 140 ALA N N 118.5 0.2 1 906 . 140 ALA H H 8.26 0.05 1 907 . 140 ALA CA C 56.2 0.2 1 908 . 140 ALA HA H 4.19 0.05 1 909 . 140 ALA HB H 1.49 0.05 1 910 . 140 ALA CB C 18.9 0.2 1 911 . 140 ALA C C 178.8 0.2 1 912 . 141 SER N N 108.1 0.2 1 913 . 141 SER H H 8.17 0.05 1 914 . 141 SER CA C 59.2 0.2 1 915 . 141 SER HA H 4.84 0.05 1 916 . 141 SER CB C 66.3 0.2 1 917 . 141 SER HB2 H 3.98 0.05 2 918 . 141 SER HB3 H 3.87 0.05 2 919 . 141 SER C C 174.4 0.2 1 920 . 142 LYS N N 125.5 0.2 1 921 . 142 LYS H H 8.89 0.05 1 922 . 142 LYS CA C 55.7 0.2 1 923 . 142 LYS HA H 4.99 0.05 1 924 . 142 LYS CB C 35.8 0.2 1 925 . 142 LYS HB2 H 1.63 0.05 2 926 . 142 LYS HB3 H 0.92 0.05 2 927 . 142 LYS HG2 H 1.29 0.05 1 928 . 142 LYS HG3 H 1.29 0.05 1 929 . 142 LYS CD C 29.1 0.2 1 930 . 142 LYS HD2 H 1.51 0.05 1 931 . 142 LYS HD3 H 1.51 0.05 1 932 . 142 LYS HE2 H 2.94 0.05 1 933 . 142 LYS HE3 H 2.94 0.05 1 934 . 142 LYS C C 173.7 0.2 1 935 . 143 VAL N N 118.3 0.2 1 936 . 143 VAL H H 8.62 0.05 1 937 . 143 VAL CA C 58.6 0.2 1 938 . 143 VAL HA H 4.60 0.05 1 939 . 143 VAL CB C 35.1 0.2 1 940 . 143 VAL HB H 1.25 0.05 1 941 . 143 VAL HG1 H 0.23 0.05 2 942 . 143 VAL HG2 H 0.18 0.05 2 943 . 143 VAL CG1 C 20.2 0.2 1 944 . 143 VAL CG2 C 22.2 0.2 1 945 . 143 VAL C C 171.4 0.2 1 946 . 144 TYR N N 124.9 0.2 1 947 . 144 TYR H H 9.38 0.05 1 948 . 144 TYR CA C 56.4 0.2 1 949 . 144 TYR HA H 5.06 0.05 1 950 . 144 TYR CB C 39.4 0.2 1 951 . 144 TYR HB2 H 2.89 0.05 2 952 . 144 TYR HB3 H 2.29 0.05 2 953 . 144 TYR C C 175.9 0.2 1 954 . 145 PHE N N 123.0 0.2 1 955 . 145 PHE H H 9.15 0.05 1 956 . 145 PHE CA C 57.0 0.2 1 957 . 145 PHE HA H 4.88 0.05 1 958 . 145 PHE CB C 41.4 0.2 1 959 . 145 PHE HB2 H 2.92 0.05 2 960 . 145 PHE HB3 H 2.67 0.05 2 961 . 145 PHE C C 175.6 0.2 1 962 . 146 THR N N 122.05 0.2 1 963 . 146 THR H H 9.0 0.05 1 964 . 146 THR CA C 64.1 0.2 1 965 . 146 THR HA H 4.47 0.05 1 966 . 146 THR CB C 68.2 0.2 1 967 . 146 THR HB H 4.26 0.05 1 968 . 146 THR HG2 H 1.13 0.05 1 969 . 146 THR CG2 C 21.8 0.2 1 970 . 146 THR C C 171.8 0.2 1 971 . 147 ALA N N 136.2 0.2 1 972 . 147 ALA H H 8.20 0.05 1 973 . 147 ALA CA C 50.8 0.2 1 974 . 147 ALA HA H 5.21 0.05 1 975 . 147 ALA HB H 1.11 0.05 1 976 . 147 ALA CB C 19.2 0.2 1 977 . 148 GLY N N 113.1 0.2 1 978 . 148 GLY H H 8.59 0.05 1 979 . 148 GLY CA C 47.1 0.2 1 980 . 148 GLY HA2 H 4.53 0.05 2 981 . 148 GLY HA3 H 3.45 0.05 2 982 . 148 GLY C C 174.1 0.2 1 983 . 149 MET N N 120.7 0.2 1 984 . 149 MET H H 7.64 0.05 1 985 . 149 MET CA C 54.8 0.2 1 986 . 149 MET HA H 4.60 0.05 1 987 . 149 MET CB C 34.6 0.2 1 988 . 149 MET HB2 H 2.21 0.05 2 989 . 149 MET HB3 H 2.01 0.05 2 990 . 149 MET CG C 31.9 0.2 1 991 . 149 MET HG2 H 2.58 0.05 1 992 . 149 MET HG3 H 2.58 0.05 1 993 . 149 MET C C 174.6 0.2 1 994 . 150 LYS N N 123.3 0.2 1 995 . 150 LYS H H 8.71 0.05 1 996 . 150 LYS CA C 57.3 0.2 1 997 . 150 LYS HA H 4.73 0.05 1 998 . 150 LYS CB C 33.5 0.2 1 999 . 150 LYS HB2 H 1.81 0.05 2 1000 . 150 LYS HB3 H 1.70 0.05 2 1001 . 150 LYS HG2 H 1.31 0.05 2 1002 . 150 LYS HG3 H 1.24 0.05 2 1003 . 150 LYS CD C 29.7 0.2 1 1004 . 150 LYS HD2 H 1.48 0.05 1 1005 . 150 LYS HD3 H 1.48 0.05 1 1006 . 150 LYS CE C 41.7 0.2 1 1007 . 150 LYS HE2 H 2.63 0.05 2 1008 . 150 LYS C C 175.8 0.2 1 1009 . 151 LYS N N 128.1 0.2 1 1010 . 151 LYS H H 8.96 0.05 1 1011 . 151 LYS CA C 54.0 0.2 1 1012 . 151 LYS HA H 4.86 0.05 1 1013 . 151 LYS CB C 33.9 0.2 1 1014 . 151 LYS HB2 H 1.96 0.05 1 1015 . 151 LYS HB3 H 1.96 0.05 1 1016 . 151 LYS HG2 H 1.45 0.05 1 1017 . 151 LYS HG3 H 1.45 0.05 1 1018 . 151 LYS HD2 H 1.59 0.05 1 1019 . 151 LYS HD3 H 1.59 0.05 1 1020 . 151 LYS HE2 H 3.01 0.05 2 1021 . 151 LYS C C 175.3 0.2 1 1022 . 152 SER N N 119.5 0.2 1 1023 . 152 SER H H 8.80 0.05 1 1024 . 152 SER CA C 57.0 0.2 1 1025 . 152 SER HA H 4.87 0.05 1 1026 . 152 SER CB C 65.6 0.2 1 1027 . 152 SER HB2 H 3.78 0.05 2 1028 . 152 SER HB3 H 3.54 0.05 2 1029 . 152 SER C C 173.9 0.2 1 1030 . 153 ARG N N 123.6 0.2 1 1031 . 153 ARG H H 9.03 0.05 1 1032 . 153 ARG CA C 54.6 0.2 1 1033 . 153 ARG HA H 4.83 0.05 1 1034 . 153 ARG CB C 34.4 0.2 1 1035 . 153 ARG HB2 H 2.20 0.05 2 1036 . 153 ARG HB3 H 1.44 0.05 2 1037 . 153 ARG CG C 29.7 0.2 1 1038 . 153 ARG HG2 H 1.53 0.05 2 1039 . 153 ARG HG3 H 1.46 0.05 2 1040 . 153 ARG CD C 44.4 0.2 1 1041 . 153 ARG HD2 H 2.96 0.05 2 1042 . 153 ARG HD3 H 3.53 0.05 2 1043 . 153 ARG NE N 122.2 0.2 1 1044 . 153 ARG HE H 7.09 0.05 1 1045 . 153 ARG C C 174.4 0.2 1 1046 . 154 SER N N 116.9 0.2 1 1047 . 154 SER H H 9.38 0.05 1 1048 . 154 SER CA C 59.1 0.2 1 1049 . 154 SER HA H 4.42 0.05 1 1050 . 154 SER CB C 64.2 0.2 1 1051 . 154 SER HB2 H 4.15 0.05 2 1052 . 154 SER HB3 H 4.03 0.05 2 1053 . 154 SER C C 176.3 0.2 1 1054 . 155 ARG N N 126.8 0.2 1 1055 . 155 ARG H H 8.43 0.05 1 1056 . 155 ARG CA C 61.2 0.2 1 1057 . 155 ARG HA H 3.77 0.05 1 1058 . 155 ARG CB C 30.3 0.2 1 1059 . 155 ARG HB2 H 1.83 0.05 2 1060 . 155 ARG HB3 H 1.40 0.05 2 1061 . 155 ARG HG2 H 1.36 0.05 2 1062 . 155 ARG CD C 43.9 0.2 1 1063 . 155 ARG HD2 H 2.93 0.05 1 1064 . 155 ARG HD3 H 2.93 0.05 1 1065 . 155 ARG C C 178.8 0.2 1 1066 . 156 ASP N N 119.3 0.2 1 1067 . 156 ASP H H 8.48 0.05 1 1068 . 156 ASP CA C 57.6 0.2 1 1069 . 156 ASP HA H 4.39 0.05 1 1070 . 156 ASP CB C 40.9 0.2 1 1071 . 156 ASP HB2 H 2.69 0.05 1 1072 . 156 ASP HB3 H 2.69 0.05 1 1073 . 156 ASP C C 178.8 0.2 1 1074 . 157 ALA N N 121.6 0.2 1 1075 . 157 ALA H H 7.58 0.05 1 1076 . 157 ALA CA C 54.6 0.2 1 1077 . 157 ALA HA H 4.19 0.05 1 1078 . 157 ALA HB H 1.53 0.05 1 1079 . 157 ALA CB C 17.9 0.2 1 1080 . 157 ALA C C 177.1 0.2 1 1081 . 158 TYR N N 115.7 0.2 1 1082 . 158 TYR H H 7.40 0.05 1 1083 . 158 TYR CA C 58.9 0.2 1 1084 . 158 TYR HA H 4.38 0.05 1 1085 . 158 TYR CB C 39.6 0.2 1 1086 . 158 TYR HB2 H 3.09 0.05 2 1087 . 158 TYR HB3 H 2.47 0.05 2 1088 . 158 TYR C C 175.0 0.2 1 1089 . 159 GLY N N 107.1 0.2 1 1090 . 159 GLY H H 7.64 0.05 1 1091 . 159 GLY CA C 46.5 0.2 1 1092 . 159 GLY HA2 H 4.35 0.05 2 1093 . 159 GLY HA3 H 3.93 0.05 2 1094 . 159 GLY C C 172.5 0.2 1 1095 . 160 VAL N N 116.0 0.2 1 1096 . 160 VAL H H 7.20 0.05 1 1097 . 160 VAL CA C 60.4 0.2 1 1098 . 160 VAL HA H 4.38 0.05 1 1099 . 160 VAL CB C 35.1 0.2 1 1100 . 160 VAL HB H 2.02 0.05 1 1101 . 160 VAL HG1 H 0.95 0.05 2 1102 . 160 VAL HG2 H 0.92 0.05 2 1103 . 160 VAL CG1 C 21.2 0.2 1 1104 . 160 VAL CG2 C 20.5 0.2 1 1105 . 160 VAL C C 174.7 0.2 1 1106 . 161 GLN N N 122.2 0.2 1 1107 . 161 GLN H H 8.71 0.05 1 1108 . 161 GLN CA C 55.9 0.2 1 1109 . 161 GLN HA H 4.98 0.05 1 1110 . 161 GLN CB C 31.9 0.2 1 1111 . 161 GLN HB2 H 2.05 0.05 2 1112 . 161 GLN HB3 H 1.78 0.05 2 1113 . 161 GLN CG C 35.7 0.2 1 1114 . 161 GLN HG2 H 2.25 0.05 2 1115 . 161 GLN HG3 H 2.19 0.05 2 1116 . 161 GLN C C 175.6 0.2 1 1117 . 162 ARG N N 122.9 0.2 1 1118 . 162 ARG H H 8.87 0.05 1 1119 . 162 ARG CA C 54.7 0.2 1 1120 . 162 ARG HA H 4.58 0.05 1 1121 . 162 ARG CB C 34.1 0.2 1 1122 . 162 ARG HB2 H 1.87 0.05 2 1123 . 162 ARG HB3 H 1.54 0.05 2 1124 . 162 ARG CG C 27.4 0.2 1 1125 . 162 ARG HG2 H 1.59 0.05 1 1126 . 162 ARG HG3 H 1.59 0.05 1 1127 . 162 ARG CD C 43.8 0.2 1 1128 . 162 ARG HD2 H 3.14 0.05 1 1129 . 162 ARG HD3 H 3.14 0.05 1 1130 . 162 ARG C C 175.9 0.2 1 1131 . 163 ASN N N 121.6 0.2 1 1132 . 163 ASN H H 8.67 0.05 1 1133 . 163 ASN CA C 53.4 0.2 1 1134 . 163 ASN HA H 4.72 0.05 1 1135 . 163 ASN CB C 38.5 0.2 1 1136 . 163 ASN HB2 H 2.85 0.05 2 1137 . 163 ASN HB3 H 2.67 0.05 2 1138 . 163 ASN C C 176.1 0.2 1 1139 . 164 GLY N N 108.6 0.2 1 1140 . 164 GLY H H 9.36 0.05 1 1141 . 164 GLY CA C 45.9 0.2 1 1142 . 164 GLY HA2 H 4.09 0.05 2 1143 . 164 GLY HA3 H 3.45 0.05 2 1144 . 164 GLY C C 173.0 0.2 1 1145 . 165 LEU N N 126.6 0.2 1 1146 . 165 LEU H H 9.14 0.05 1 1147 . 165 LEU CA C 54.1 0.2 1 1148 . 165 LEU HA H 4.68 0.05 1 1149 . 165 LEU CB C 43.4 0.2 1 1150 . 165 LEU HB2 H 1.81 0.05 2 1151 . 165 LEU HB3 H 1.65 0.05 2 1152 . 165 LEU HG H 0.92 0.05 1 1153 . 165 LEU HD1 H 0.98 0.05 2 1154 . 165 LEU HD2 H 0.97 0.05 2 1155 . 165 LEU CD1 C 24.7 0.2 1 1156 . 165 LEU C C 176.0 0.2 1 1157 . 166 ARG N N 127.8 0.2 1 1158 . 166 ARG H H 8.72 0.05 1 1159 . 166 ARG CA C 58.4 0.2 1 1160 . 166 ARG HA H 4.44 0.05 1 1161 . 166 ARG CB C 30.4 0.2 1 1162 . 166 ARG HB2 H 1.81 0.05 1 1163 . 166 ARG HB3 H 1.81 0.05 1 1164 . 166 ARG CG C 27.9 0.2 1 1165 . 166 ARG HG2 H 1.84 0.05 2 1166 . 166 ARG HG3 H 1.57 0.05 2 1167 . 166 ARG CD C 43.9 0.2 1 1168 . 166 ARG HD3 H 3.21 0.05 2 1169 . 166 ARG C C 176.2 0.2 1 1170 . 167 VAL N N 118.3 0.2 1 1171 . 167 VAL H H 7.88 0.05 1 1172 . 167 VAL CA C 60.0 0.2 1 1173 . 167 VAL HA H 4.68 0.05 1 1174 . 167 VAL CB C 35.4 0.2 1 1175 . 167 VAL HB H 2.28 0.05 1 1176 . 167 VAL HG1 H 0.95 0.05 2 1177 . 167 VAL HG2 H 0.69 0.05 2 1178 . 167 VAL CG2 C 19.5 0.2 1 1179 . 167 VAL C C 175.0 0.2 1 1180 . 168 ASP N N 117.1 0.2 1 1181 . 168 ASP H H 8.09 0.05 1 1182 . 168 ASP CA C 56.7 0.2 1 1183 . 168 ASP HA H 4.44 0.05 1 1184 . 168 ASP CB C 42.2 0.2 1 1185 . 168 ASP HB2 H 2.67 0.05 1 1186 . 168 ASP HB3 H 2.67 0.05 1 1187 . 168 ASP C C 176.3 0.2 1 1188 . 169 LYS N N 117.3 0.2 1 1189 . 169 LYS H H 7.55 0.05 1 1190 . 169 LYS CA C 55.4 0.2 1 1191 . 169 LYS HA H 4.58 0.05 1 1192 . 169 LYS CB C 36.1 0.2 1 1193 . 169 LYS HB2 H 1.69 0.05 2 1194 . 169 LYS HB3 H 1.63 0.05 2 1195 . 169 LYS CG C 24.8 0.2 1 1196 . 169 LYS HG2 H 1.30 0.05 2 1197 . 169 LYS HG3 H 0.92 0.05 2 1198 . 169 LYS CD C 29.4 0.2 1 1199 . 169 LYS HD2 H 1.53 0.05 2 1200 . 169 LYS HD3 H 1.50 0.05 2 1201 . 169 LYS HE2 H 2.98 0.05 1 1202 . 169 LYS HE3 H 2.98 0.05 1 1203 . 169 LYS C C 173.8 0.2 1 1204 . 170 PHE N N 130.2 0.2 1 1205 . 170 PHE H H 8.75 0.05 1 1206 . 170 PHE CA C 60.2 0.2 1 1207 . 170 PHE HA H 4.01 0.05 1 1208 . 170 PHE CB C 40.9 0.2 1 1209 . 170 PHE HB2 H 2.89 0.05 1 1210 . 170 PHE HB3 H 2.89 0.05 1 stop_ save_