data_6372 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Assigned Chemical Shifts for SARS N-Protein N-Terminate ; _BMRB_accession_number 6372 _BMRB_flat_file_name bmr6372.str _Entry_type original _Submission_date 2004-10-29 _Accession_date 2004-11-01 _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 Zhong Nan . . 2 Huang Qing . . 3 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 852 "13C chemical shifts" 628 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-02-10 original author . stop_ _Original_release_date 2005-02-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the N-terminal Domain of the SARS CoV Nucleocapsid Protein ; _Citation_status published _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 Zhong Nan . . 2 Huang Qing . . 3 Jin Changwen . . 4 Xia Bin . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 79 _Page_last 80 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_SARS_N-protein _Saveframe_category molecular_system _Mol_system_name 'SARS N-protein' _Abbreviation_common 'SARS N-protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SARS N-protein' $N-protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N-protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'nucleocapsid protein' _Abbreviation_common N-protein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; MSDNGPQSNQRSAPRITFGG PTDSTDNNQNGGRNGARPKQ RRPQGLPNNTASWFTALTQH GKEELRFPRGQGVPINTNSG PDDQIGYYRRATRRVRGGDG KMKELSPRWYFYYLGTGPEA SLPYGANKEGIVWVATEGAL NTPKDHIGTRNPNNNAATVL QLPQGTTLPKGFYAEGSRG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASP 4 ASN 5 GLY 6 PRO 7 GLN 8 SER 9 ASN 10 GLN 11 ARG 12 SER 13 ALA 14 PRO 15 ARG 16 ILE 17 THR 18 PHE 19 GLY 20 GLY 21 PRO 22 THR 23 ASP 24 SER 25 THR 26 ASP 27 ASN 28 ASN 29 GLN 30 ASN 31 GLY 32 GLY 33 ARG 34 ASN 35 GLY 36 ALA 37 ARG 38 PRO 39 LYS 40 GLN 41 ARG 42 ARG 43 PRO 44 GLN 45 GLY 46 LEU 47 PRO 48 ASN 49 ASN 50 THR 51 ALA 52 SER 53 TRP 54 PHE 55 THR 56 ALA 57 LEU 58 THR 59 GLN 60 HIS 61 GLY 62 LYS 63 GLU 64 GLU 65 LEU 66 ARG 67 PHE 68 PRO 69 ARG 70 GLY 71 GLN 72 GLY 73 VAL 74 PRO 75 ILE 76 ASN 77 THR 78 ASN 79 SER 80 GLY 81 PRO 82 ASP 83 ASP 84 GLN 85 ILE 86 GLY 87 TYR 88 TYR 89 ARG 90 ARG 91 ALA 92 THR 93 ARG 94 ARG 95 VAL 96 ARG 97 GLY 98 GLY 99 ASP 100 GLY 101 LYS 102 MET 103 LYS 104 GLU 105 LEU 106 SER 107 PRO 108 ARG 109 TRP 110 TYR 111 PHE 112 TYR 113 TYR 114 LEU 115 GLY 116 THR 117 GLY 118 PRO 119 GLU 120 ALA 121 SER 122 LEU 123 PRO 124 TYR 125 GLY 126 ALA 127 ASN 128 LYS 129 GLU 130 GLY 131 ILE 132 VAL 133 TRP 134 VAL 135 ALA 136 THR 137 GLU 138 GLY 139 ALA 140 LEU 141 ASN 142 THR 143 PRO 144 LYS 145 ASP 146 HIS 147 ILE 148 GLY 149 THR 150 ARG 151 ASN 152 PRO 153 ASN 154 ASN 155 ASN 156 ALA 157 ALA 158 THR 159 VAL 160 LEU 161 GLN 162 LEU 163 PRO 164 GLN 165 GLY 166 THR 167 THR 168 LEU 169 PRO 170 LYS 171 GLY 172 PHE 173 TYR 174 ALA 175 GLU 176 GLY 177 SER 178 ARG 179 GLY 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 1SSK "Structure Of The N-Terminal Rna-Binding Domain Of The Sars Cov Nucleocapsid Protein" 75.98 158 99.26 99.26 5.41e-93 PDB 2OFZ "Ultrahigh Resolution Crystal Structure Of Rna Binding Domain Of Sars Nucleopcapsid (n Protein) At 1.1 Angstrom Resolution In Mo" 70.95 138 99.21 100.00 1.85e-86 PDB 2OG3 "Structure Of The Rna Binding Domain Of N Protein From Sars Coronavirus In Cubic Crystal Form" 70.95 138 99.21 100.00 1.85e-86 DBJ BAC81358 "nucleocapsid protein N [SARS coronavirus TWH]" 100.00 422 100.00 100.00 2.48e-125 DBJ BAC81372 "nucleocapsid protein N [SARS coronavirus TWJ]" 100.00 422 100.00 100.00 2.48e-125 DBJ BAC81386 "nucleocapsid protein N [SARS coronavirus TWK]" 100.00 422 100.00 100.00 2.48e-125 DBJ BAC81400 "nucleocapsid protein N [SARS coronavirus TWS]" 100.00 422 100.00 100.00 2.48e-125 DBJ BAC81414 "nucleocapsid protein N [SARS coronavirus TWY]" 100.00 422 100.00 100.00 2.48e-125 GB AAP13445 "N protein [SARS coronavirus Urbani]" 100.00 422 100.00 100.00 2.48e-125 GB AAP13814 "putative nucleocapsid protein [SARS coronavirus CUHK-W1]" 100.00 422 100.00 100.00 2.48e-125 GB AAP30037 "nucleocapsid protein N [SARS coronavirus BJ01]" 100.00 422 100.00 100.00 2.48e-125 GB AAP30714 "putative nucleocapsid protein [SARS coronavirus CUHK-Su10]" 100.00 422 100.00 100.00 2.48e-125 GB AAP33707 "nucleocapsid protein N [SARS coronavirus Frankfurt 1]" 100.00 422 99.44 99.44 1.48e-124 REF NP_828858 "nucleocapsid protein [SARS coronavirus]" 100.00 422 100.00 100.00 2.48e-125 SP P59595 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N [SARS coronavirus]" 100.00 422 100.00 100.00 2.48e-125 SP Q3I5I7 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N [Bat SARS CoV Rp3/2004]" 100.00 421 97.21 98.32 5.39e-120 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $N-protein 'SARS coronavirus' 227859 Viruses . Coronavirus 'SARS coronavirus' 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 $N-protein 'recombinant technology' 'E. coli' Escherichia coli plasmid pET21a 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 $N-protein 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _Sample_label . save_ save_HNCA-D_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-D _Sample_label . save_ save_HN(CO)CA-D_12 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA-D _Sample_label . save_ save_HNCACB-D_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB-D _Sample_label . save_ save_HN(CO)CACB-D_14 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB-D _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-D _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA-D _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB-D _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB-D _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.1 n/a temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 internal direct spherical internal parallel 1.0 DSS C 13 'methyl protons' ppm 0 internal direct spherical internal parallel 0.251449530 DSS H 15 'methyl protons' ppm 0 internal direct spherical internal parallel 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_chemical_shift1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SARS N-protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER HA H 4.23 0.01 9 2 . 2 SER HB2 H 3.83 0.01 1 3 . 2 SER HB3 H 3.83 0.01 1 4 . 2 SER C C 174.7 0.2 1 5 . 2 SER CA C 58.7 0.2 1 6 . 2 SER CB C 64.2 0.2 1 7 . 3 ASP H H 8.48 0.01 1 8 . 3 ASP HA H 4.67 0.01 1 9 . 3 ASP HB2 H 2.72 0.01 2 10 . 3 ASP HB3 H 2.61 0.01 2 11 . 3 ASP C C 174 0.2 1 12 . 3 ASP CA C 54.6 0.2 1 13 . 3 ASP CB C 41.3 0.2 1 14 . 3 ASP N N 122.5 0.2 1 15 . 4 ASN H H 8.5 0.01 1 16 . 4 ASN HA H 4.78 0.01 1 17 . 4 ASN HB2 H 2.85 0.01 2 18 . 4 ASN HB3 H 2.73 0.01 2 19 . 4 ASN C C 175.5 0.2 1 20 . 4 ASN CA C 53.3 0.2 1 21 . 4 ASN CB C 39.2 0.2 1 22 . 4 ASN N N 120 0.2 1 23 . 5 GLY H H 8.24 0.01 1 24 . 5 GLY HA2 H 4.12 0.01 1 25 . 5 GLY HA3 H 4.12 0.01 1 26 . 5 GLY CA C 44.8 0.2 1 27 . 5 GLY N N 109.8 0.2 1 28 . 6 PRO HA H 4.42 0.01 5 29 . 6 PRO HB2 H 1.93 0.01 5 30 . 6 PRO HB3 H 2.29 0.01 5 31 . 6 PRO C C 176.7 0.2 5 32 . 6 PRO CA C 63.7 0.2 5 33 . 6 PRO CB C 32.1 0.2 5 34 . 7 GLN H H 8.58 0.01 5 35 . 7 GLN HA H 4.32 0.01 5 36 . 7 GLN CA C 56 0.2 5 37 . 7 GLN CB C 29.1 0.2 5 38 . 7 GLN N N 120.7 0.2 5 39 . 9 ASN HA H 3.96 0.01 1 40 . 9 ASN HB2 H 2.82 0.01 1 41 . 9 ASN HB3 H 2.82 0.01 1 42 . 9 ASN CA C 53.6 0.2 1 43 . 9 ASN CB C 38.8 0.2 1 44 . 9 ASN ND2 N 113.4 0.2 1 45 . 10 GLN H H 8.29 0.01 1 46 . 10 GLN C C 173.4 0.2 1 47 . 10 GLN CA C 55.9 0.2 1 48 . 10 GLN CB C 29.5 0.2 1 49 . 10 GLN CG C 33.9 0.2 1 50 . 10 GLN N N 121 0.2 1 51 . 11 ARG H H 8.36 0.01 1 52 . 11 ARG HA H 4.35 0.01 1 53 . 11 ARG HB2 H 1.9 0.01 2 54 . 11 ARG HB3 H 1.79 0.01 2 55 . 11 ARG HG2 H 1.66 0.01 1 56 . 11 ARG HG3 H 1.66 0.01 1 57 . 11 ARG HD2 H 3.2 0.01 1 58 . 11 ARG HD3 H 3.2 0.01 1 59 . 11 ARG C C 176.4 0.2 1 60 . 11 ARG CA C 56.3 0.2 1 61 . 11 ARG CB C 30.8 0.2 1 62 . 11 ARG CG C 27.1 0.2 1 63 . 11 ARG CD C 43.4 0.2 1 64 . 11 ARG N N 122.7 0.2 1 65 . 12 SER H H 8.29 0.01 1 66 . 12 SER HA H 4.43 0.01 1 67 . 12 SER HB2 H 3.92 0.01 2 68 . 12 SER HB3 H 3.86 0.01 2 69 . 12 SER C C 173.7 0.2 1 70 . 12 SER CA C 58.5 0.2 1 71 . 12 SER CB C 64 0.2 1 72 . 12 SER N N 117.6 0.2 1 73 . 13 ALA H H 8.28 0.01 1 74 . 13 ALA HA H 4.62 0.01 1 75 . 13 ALA HB H 1.37 0.01 1 76 . 13 ALA CA C 50.7 0.2 1 77 . 13 ALA CB C 18.4 0.2 1 78 . 13 ALA N N 127.8 0.2 1 79 . 14 PRO HA H 4.43 0.01 1 80 . 14 PRO HB2 H 2.31 0.01 2 81 . 14 PRO HB3 H 1.89 0.01 2 82 . 14 PRO HG2 H 2.03 0.01 1 83 . 14 PRO HG3 H 2.03 0.01 1 84 . 14 PRO HD2 H 3.82 0.01 2 85 . 14 PRO HD3 H 3.65 0.01 2 86 . 14 PRO C C 176.7 0.2 1 87 . 14 PRO CA C 63.1 0.2 1 88 . 14 PRO CB C 32.2 0.2 1 89 . 14 PRO CG C 27.3 0.2 1 90 . 14 PRO CD C 50 0.2 1 91 . 15 ARG H H 8.41 0.01 1 92 . 15 ARG HA H 4.34 0.01 1 93 . 15 ARG HB2 H 1.84 0.01 2 94 . 15 ARG HB3 H 1.76 0.01 2 95 . 15 ARG HG2 H 1.69 0.01 1 96 . 15 ARG HG3 H 1.69 0.01 1 97 . 15 ARG HD2 H 3.23 0.01 1 98 . 15 ARG HD3 H 3.23 0.01 1 99 . 15 ARG C C 176.2 0.2 1 100 . 15 ARG CA C 55.9 0.2 1 101 . 15 ARG CB C 31 0.2 1 102 . 15 ARG CG C 26.9 0.2 1 103 . 15 ARG CD C 43.4 0.2 1 104 . 15 ARG N N 122.4 0.2 1 105 . 16 ILE H H 8.28 0.01 1 106 . 16 ILE HA H 4.2 0.01 1 107 . 16 ILE HB H 1.81 0.01 1 108 . 16 ILE HG12 H 1.37 0.01 2 109 . 16 ILE HG13 H 1.14 0.01 2 110 . 16 ILE HG2 H 0.75 0.01 1 111 . 16 ILE HD1 H 0.79 0.01 1 112 . 16 ILE C C 176.1 0.2 1 113 . 16 ILE CA C 60.9 0.2 1 114 . 16 ILE CB C 38.6 0.2 1 115 . 16 ILE CG1 C 27.2 0.2 1 116 . 16 ILE CG2 C 17.6 0.2 1 117 . 16 ILE CD1 C 12.4 0.2 1 118 . 16 ILE N N 123.7 0.2 1 119 . 17 THR H H 8.13 0.01 1 120 . 17 THR HA H 4.37 0.01 1 121 . 17 THR HB H 4.14 0.01 1 122 . 17 THR HG2 H 1.12 0.01 1 123 . 17 THR C C 173.9 0.2 1 124 . 17 THR CA C 61.2 0.2 1 125 . 17 THR CB C 70.2 0.2 1 126 . 17 THR CG2 C 21.1 0.2 1 127 . 17 THR N N 119.3 0.2 1 128 . 18 PHE H H 8.49 0.01 1 129 . 18 PHE HA H 4.71 0.01 1 130 . 18 PHE HB2 H 3.18 0.01 2 131 . 18 PHE HB3 H 3.03 0.01 2 132 . 18 PHE C C 176.2 0.2 1 133 . 18 PHE CA C 57.9 0.2 1 134 . 18 PHE CB C 39.9 0.2 1 135 . 18 PHE N N 123.6 0.2 1 136 . 19 GLY H H 8.46 0.01 1 137 . 19 GLY HA2 H 3.94 0.01 1 138 . 19 GLY HA3 H 3.94 0.01 1 139 . 19 GLY C C 174.1 0.2 1 140 . 19 GLY CA C 45.3 0.2 1 141 . 19 GLY N N 111.9 0.2 1 142 . 20 GLY H H 7.99 0.01 1 143 . 20 GLY HA2 H 4.12 0.01 1 144 . 20 GLY HA3 H 4.12 0.01 1 145 . 20 GLY CA C 44.6 0.2 1 146 . 20 GLY N N 109.5 0.2 1 147 . 21 PRO HA H 4.53 0.01 1 148 . 21 PRO HB2 H 2.33 0.01 2 149 . 21 PRO HB3 H 2.02 0.01 2 150 . 21 PRO HG2 H 2.05 0.01 1 151 . 21 PRO HG3 H 2.05 0.01 1 152 . 21 PRO HD2 H 3.82 0.01 2 153 . 21 PRO HD3 H 3.65 0.01 2 154 . 21 PRO C C 177.7 0.2 1 155 . 21 PRO CA C 63.5 0.2 1 156 . 21 PRO CB C 32.3 0.2 1 157 . 21 PRO CG C 27.3 0.2 1 158 . 21 PRO CD C 50 0.2 1 159 . 22 THR H H 8.3 0.01 1 160 . 22 THR HA H 4.4 0.01 1 161 . 22 THR HB H 4.31 0.01 1 162 . 22 THR HG2 H 1.23 0.01 1 163 . 22 THR C C 174.4 0.2 1 164 . 22 THR CA C 61.8 0.2 1 165 . 22 THR CB C 69.9 0.2 1 166 . 22 THR CG2 C 21.3 0.2 1 167 . 22 THR N N 114 0.2 1 168 . 23 ASP H H 8.26 0.01 1 169 . 23 ASP HA H 4.63 0.01 1 170 . 23 ASP HB2 H 2.74 0.01 2 171 . 23 ASP HB3 H 2.64 0.01 2 172 . 23 ASP C C 176.4 0.2 1 173 . 23 ASP CA C 54.5 0.2 1 174 . 23 ASP CB C 41.3 0.2 1 175 . 23 ASP N N 123.2 0.2 1 176 . 24 SER H H 8.34 0.01 1 177 . 24 SER HA H 4.54 0.01 1 178 . 24 SER HB2 H 3.96 0.01 2 179 . 24 SER HB3 H 3.87 0.01 2 180 . 24 SER C C 175.1 0.2 1 181 . 24 SER CA C 58.6 0.2 1 182 . 24 SER CB C 63.9 0.2 1 183 . 24 SER N N 117 0.2 1 184 . 25 THR H H 8.3 0.01 1 185 . 25 THR HA H 4.36 0.01 1 186 . 25 THR HB H 4.31 0.01 1 187 . 25 THR HG2 H 1.22 0.01 1 188 . 25 THR C C 174.6 0.2 1 189 . 25 THR CA C 62.5 0.2 1 190 . 25 THR CB C 69.8 0.2 1 191 . 25 THR CG2 C 21.3 0.2 1 192 . 25 THR N N 116.3 0.2 1 193 . 26 ASP H H 8.29 0.01 1 194 . 26 ASP HA H 4.61 0.01 1 195 . 26 ASP HB2 H 2.74 0.01 2 196 . 26 ASP HB3 H 2.64 0.01 2 197 . 26 ASP C C 176.1 0.2 1 198 . 26 ASP CA C 54.6 0.2 1 199 . 26 ASP CB C 41.2 0.2 1 200 . 26 ASP N N 123 0.2 1 201 . 27 ASN H H 8.38 0.01 1 202 . 27 ASN HA H 4.69 0.01 1 203 . 27 ASN HB2 H 2.83 0.01 2 204 . 27 ASN HB3 H 2.74 0.01 2 205 . 27 ASN HD21 H 7.5 0.01 2 206 . 27 ASN HD22 H 6.81 0.01 2 207 . 27 ASN C C 175.3 0.2 1 208 . 27 ASN CA C 53.5 0.2 1 209 . 27 ASN CB C 38.9 0.2 1 210 . 27 ASN N N 120.2 0.2 1 211 . 27 ASN ND2 N 112.7 0.2 1 212 . 28 ASN H H 8.44 0.01 1 213 . 28 ASN HA H 4.66 0.01 1 214 . 28 ASN HB2 H 2.82 0.01 2 215 . 28 ASN HB3 H 2.73 0.01 2 216 . 28 ASN C C 175.7 0.2 1 217 . 28 ASN CA C 53.7 0.2 1 218 . 28 ASN CB C 38.9 0.2 1 219 . 28 ASN N N 119.4 0.2 1 220 . 28 ASN ND2 N 113.7 0.2 1 221 . 29 GLN H H 8.36 0.01 1 222 . 29 GLN HA H 4.33 0.01 1 223 . 29 GLN HB2 H 2.18 0.01 2 224 . 29 GLN HB3 H 2.01 0.01 2 225 . 29 GLN HG2 H 2.37 0.01 1 226 . 29 GLN HG3 H 2.37 0.01 1 227 . 29 GLN C C 175 0.2 1 228 . 29 GLN CA C 56.4 0.2 1 229 . 29 GLN CB C 29 0.2 1 230 . 29 GLN CG C 33.9 0.2 1 231 . 29 GLN N N 120.6 0.2 1 232 . 29 GLN NE2 N 113.2 0.2 1 233 . 30 ASN H H 8.44 0.01 1 234 . 30 ASN HA H 4.71 0.01 1 235 . 30 ASN HB2 H 2.85 0.01 2 236 . 30 ASN HB3 H 2.76 0.01 2 237 . 30 ASN C C 175.9 0.2 1 238 . 30 ASN CA C 53.5 0.2 1 239 . 30 ASN CB C 38.9 0.2 1 240 . 30 ASN N N 119.4 0.2 1 241 . 30 ASN ND2 N 113.7 0.2 1 242 . 31 GLY H H 8.37 0.01 1 243 . 31 GLY HA2 H 3.95 0.01 1 244 . 31 GLY HA3 H 3.95 0.01 1 245 . 31 GLY C C 174.8 0.2 1 246 . 31 GLY CA C 45.8 0.2 1 247 . 31 GLY N N 109.8 0.2 1 248 . 32 GLY H H 8.27 0.01 1 249 . 32 GLY HA2 H 3.96 0.01 1 250 . 32 GLY HA3 H 3.96 0.01 1 251 . 32 GLY C C 174.7 0.2 1 252 . 32 GLY CA C 45.5 0.2 1 253 . 32 GLY N N 109.2 0.2 1 254 . 33 ARG H H 8.12 0.01 1 255 . 33 ARG HA H 4.36 0.01 1 256 . 33 ARG HB2 H 1.87 0.01 2 257 . 33 ARG HB3 H 1.74 0.01 2 258 . 33 ARG C C 174.9 0.2 1 259 . 33 ARG CA C 56.1 0.2 1 260 . 33 ARG CB C 29.5 0.2 1 261 . 33 ARG N N 121.1 0.2 1 262 . 34 ASN H H 8 0.01 1 263 . 34 ASN HA H 4.8 0.01 1 264 . 34 ASN HB2 H 2.8 0.01 2 265 . 34 ASN HB3 H 2.67 0.01 2 266 . 34 ASN C C 175.5 0.2 1 267 . 34 ASN CA C 55 0.2 1 268 . 34 ASN CB C 41.2 0.2 1 269 . 34 ASN N N 116.8 0.2 1 270 . 35 GLY H H 8.3 0.01 1 271 . 35 GLY HA2 H 3.91 0.01 1 272 . 35 GLY HA3 H 3.91 0.01 1 273 . 35 GLY C C 173.7 0.2 1 274 . 35 GLY CA C 45.5 0.2 1 275 . 35 GLY N N 109.9 0.2 1 276 . 36 ALA H H 8.08 0.01 1 277 . 36 ALA HA H 4.36 0.01 1 278 . 36 ALA HB H 1.38 0.01 1 279 . 36 ALA C C 175.6 0.2 1 280 . 36 ALA CA C 52.4 0.2 1 281 . 36 ALA CB C 19.4 0.2 1 282 . 36 ALA N N 124.2 0.2 1 283 . 37 ARG H H 8.32 0.01 1 284 . 37 ARG HA H 4.62 0.01 5 285 . 37 ARG HB2 H 1.85 0.01 5 286 . 37 ARG HB3 H 1.75 0.01 5 287 . 37 ARG HG2 H 1.69 0.01 5 288 . 37 ARG HG3 H 1.69 0.01 5 289 . 37 ARG HD2 H 3.21 0.01 5 290 . 37 ARG HD3 H 3.21 0.01 5 291 . 37 ARG CA C 54.1 0.2 1 292 . 37 ARG CB C 30.2 0.2 1 293 . 37 ARG CG C 26.9 0.2 5 294 . 37 ARG CD C 43.5 0.2 5 295 . 37 ARG N N 122.4 0.2 1 296 . 38 PRO HA H 4.43 0.01 1 297 . 38 PRO HB2 H 2.31 0.01 2 298 . 38 PRO HB3 H 1.86 0.01 2 299 . 38 PRO HG2 H 2.03 0.01 1 300 . 38 PRO HG3 H 2.03 0.01 1 301 . 38 PRO HD2 H 3.82 0.01 2 302 . 38 PRO HD3 H 3.64 0.01 2 303 . 38 PRO C C 176.9 0.2 1 304 . 38 PRO CA C 63.3 0.2 1 305 . 38 PRO CB C 32.1 0.2 1 306 . 38 PRO CG C 27.4 0.2 1 307 . 38 PRO CD C 50.7 0.2 1 308 . 39 LYS H H 8.47 0.01 1 309 . 39 LYS HA H 4.26 0.01 1 310 . 39 LYS HB2 H 1.83 0.01 2 311 . 39 LYS HB3 H 1.77 0.01 2 312 . 39 LYS HG2 H 1.50 0.01 1 313 . 39 LYS HG3 H 1.45 0.01 1 314 . 39 LYS HD2 H 1.71 0.01 1 315 . 39 LYS HD3 H 1.71 0.01 1 316 . 39 LYS HE2 H 3.02 0.01 1 317 . 39 LYS HE3 H 3.02 0.01 1 318 . 39 LYS C C 176.7 0.2 1 319 . 39 LYS CA C 56.6 0.2 1 320 . 39 LYS CB C 33.1 0.2 1 321 . 39 LYS CG C 25.0 0.2 1 322 . 39 LYS CD C 29.2 0.2 1 323 . 39 LYS CE C 42.3 0.2 1 324 . 40 GLN H H 8.41 0.01 1 325 . 40 GLN HA H 4.34 0.01 1 326 . 40 GLN HB2 H 1.99 0.01 2 327 . 40 GLN HB3 H 2.15 0.01 2 328 . 40 GLN HG2 H 2.38 0.01 1 329 . 40 GLN HG3 H 2.38 0.01 1 330 . 40 GLN C C 175.8 0.2 1 331 . 40 GLN CA C 56.0 0.2 1 332 . 40 GLN CB C 29.5 0.2 1 333 . 40 GLN CG C 33.9 0.2 1 334 . 40 GLN N N 122.4 0.2 1 335 . 40 GLN NE2 N 113.6 0.2 1 336 . 41 ARG H H 8.51 0.01 1 337 . 41 ARG HA H 4.38 0.01 1 338 . 41 ARG HB2 H 1.90 0.01 2 339 . 41 ARG HB3 H 1.79 0.01 2 340 . 41 ARG HG2 H 1.65 0.01 1 341 . 41 ARG HG3 H 1.65 0.01 1 342 . 41 ARG HD2 H 3.21 0.01 1 343 . 41 ARG HD3 H 3.21 0.01 1 344 . 41 ARG CA C 56.1 0.2 1 345 . 41 ARG CB C 30.9 0.2 1 346 . 41 ARG CG C 27.1 0.2 1 347 . 41 ARG CD C 43.4 0.2 1 348 . 41 ARG N N 124.3 0.2 1 349 . 42 ARG H H 8.41 0.01 1 350 . 42 ARG HA H 4.62 0.01 1 351 . 42 ARG HB2 H 1.85 0.01 2 352 . 42 ARG HB3 H 1.75 0.01 2 353 . 42 ARG HG2 H 1.69 0.01 1 354 . 42 ARG HG3 H 1.69 0.01 1 355 . 42 ARG HD2 H 3.23 0.01 1 356 . 42 ARG HD3 H 3.23 0.01 1 357 . 42 ARG CA C 54.2 0.2 1 358 . 42 ARG CB C 30.2 0.2 1 359 . 42 ARG CG C 26.9 0.2 1 360 . 42 ARG CD C 43.4 0.2 1 361 . 42 ARG N N 122.4 0.2 1 362 . 43 PRO HA H 4.43 0.01 1 363 . 43 PRO HB2 H 2.31 0.01 2 364 . 43 PRO HB3 H 1.9 0.01 2 365 . 43 PRO HG2 H 2.03 0.01 1 366 . 43 PRO HG3 H 2.03 0.01 1 367 . 43 PRO HD2 H 3.82 0.01 2 368 . 43 PRO HD3 H 3.64 0.01 2 369 . 43 PRO C C 176.9 0.2 1 370 . 43 PRO CA C 63.3 0.2 1 371 . 43 PRO CB C 32.1 0.2 1 372 . 43 PRO CG C 27.4 0.2 1 373 . 43 PRO CD C 50.7 0.2 1 374 . 44 GLN H H 8.54 0.01 1 375 . 44 GLN HA H 4.34 0.01 1 376 . 44 GLN HB2 H 2.1 0.01 2 377 . 44 GLN HB3 H 1.99 0.01 2 378 . 44 GLN C C 176.4 0.2 1 379 . 44 GLN CA C 56 0.2 1 380 . 44 GLN CB C 29.9 0.2 1 381 . 44 GLN CG C 33.9 0.2 1 382 . 44 GLN N N 121.6 0.2 1 383 . 44 GLN NE2 N 113.3 0.2 1 384 . 45 GLY H H 8.41 0.01 1 385 . 45 GLY HA2 H 4.31 0.01 2 386 . 45 GLY HA3 H 3.89 0.01 2 387 . 45 GLY C C 174.5 0.2 1 388 . 45 GLY CA C 45.1 0.2 1 389 . 45 GLY N N 110.8 0.2 1 390 . 46 LEU H H 8.18 0.01 1 391 . 46 LEU HA H 4.62 0.01 1 392 . 46 LEU HB2 H 1.57 0.01 2 393 . 46 LEU HB3 H 1.67 0.01 2 394 . 46 LEU HG H 0.94 0.01 1 395 . 46 LEU HD1 H 0.92 0.01 2 396 . 46 LEU HD2 H 1.67 0.01 2 397 . 46 LEU CA C 53.2 0.2 1 398 . 46 LEU CB C 41.7 0.2 1 399 . 46 LEU CG C 25.3 0.2 1 400 . 46 LEU CD1 C 23.5 0.2 2 401 . 46 LEU CD2 C 27.1 0.2 2 402 . 46 LEU N N 123.6 0.2 1 403 . 47 PRO HA H 4.39 0.01 1 404 . 47 PRO HB2 H 2.27 0.01 2 405 . 47 PRO HB3 H 1.9 0.01 2 406 . 47 PRO HG2 H 2.03 0.01 1 407 . 47 PRO HG3 H 2.03 0.01 1 408 . 47 PRO HD2 H 3.84 0.01 1 409 . 47 PRO HD3 H 3.84 0.01 1 410 . 47 PRO C C 176.7 0.2 1 411 . 47 PRO CA C 63.4 0.2 1 412 . 47 PRO CB C 32 0.2 1 413 . 47 PRO CG C 27.5 0.2 1 414 . 47 PRO CD C 50.7 0.2 1 415 . 48 ASN H H 8.44 0.01 1 416 . 48 ASN HA H 4.66 0.01 1 417 . 48 ASN HB2 H 2.77 0.01 1 418 . 48 ASN HB3 H 2.77 0.01 1 419 . 48 ASN C C 175 0.2 1 420 . 48 ASN CA C 53.3 0.2 1 421 . 48 ASN CB C 38.8 0.2 1 422 . 48 ASN N N 118.7 0.2 1 423 . 49 ASN H H 8.27 0.01 1 424 . 49 ASN HA H 4.73 0.01 1 425 . 49 ASN HB2 H 2.73 0.01 1 426 . 49 ASN HB3 H 2.73 0.01 1 427 . 49 ASN C C 175 0.2 1 428 . 49 ASN CA C 53.3 0.2 1 429 . 49 ASN CB C 38.8 0.2 1 430 . 49 ASN N N 120 0.2 1 431 . 50 THR H H 7.81 0.01 1 432 . 50 THR HA H 4.47 0.01 1 433 . 50 THR HB H 4.17 0.01 1 434 . 50 THR HG2 H 1.1 0.01 1 435 . 50 THR C C 173.5 0.2 1 436 . 50 THR CA C 61.1 0.2 1 437 . 50 THR CB C 70.6 0.2 1 438 . 50 THR CG2 C 21.3 0.2 1 439 . 50 THR N N 111.4 0.2 1 440 . 51 ALA H H 8.44 0.01 1 441 . 51 ALA HA H 4.56 0.01 1 442 . 51 ALA HB H 1.25 0.01 1 443 . 51 ALA C C 176.7 0.2 1 444 . 51 ALA CA C 51.6 0.2 1 445 . 51 ALA CB C 20.7 0.2 1 446 . 51 ALA N N 127.8 0.2 1 447 . 52 SER H H 8.43 0.01 1 448 . 52 SER HA H 4.79 0.01 1 449 . 52 SER HB2 H 3.88 0.01 1 450 . 52 SER HB3 H 3.88 0.01 1 451 . 52 SER C C 176.8 0.2 1 452 . 52 SER CA C 57.3 0.2 1 453 . 52 SER CB C 63.3 0.2 1 454 . 52 SER N N 115.2 0.2 1 455 . 53 TRP H H 9.74 0.01 1 456 . 53 TRP HA H 4.22 0.01 1 457 . 53 TRP HB2 H 3.95 0.01 1 458 . 53 TRP HB3 H 3.95 0.01 1 459 . 53 TRP C C 174.6 0.2 1 460 . 53 TRP CA C 61.1 0.2 1 461 . 53 TRP CB C 29.5 0.2 1 462 . 53 TRP N N 128.1 0.2 1 463 . 54 PHE H H 8.19 0.01 1 464 . 54 PHE HA H 6.24 0.01 1 465 . 54 PHE HB2 H 3.32 0.01 1 466 . 54 PHE HB3 H 3.32 0.01 1 467 . 54 PHE C C 177.4 0.2 1 468 . 54 PHE CA C 55.5 0.2 1 469 . 54 PHE CB C 43.6 0.2 1 470 . 54 PHE N N 115.8 0.2 1 471 . 55 THR H H 8.07 0.01 1 472 . 55 THR HA H 4.4 0.01 1 473 . 55 THR HB H 4.16 0.01 1 474 . 55 THR HG2 H 1.5 0.01 1 475 . 55 THR C C 173 0.2 1 476 . 55 THR CA C 62.1 0.2 1 477 . 55 THR CB C 70.3 0.2 1 478 . 55 THR CG2 C 21.6 0.2 1 479 . 55 THR N N 112.4 0.2 1 480 . 56 ALA H H 8.27 0.01 1 481 . 56 ALA HA H 4.26 0.01 1 482 . 56 ALA HB H 0.78 0.01 1 483 . 56 ALA C C 178.8 0.2 1 484 . 56 ALA CA C 51.9 0.2 1 485 . 56 ALA CB C 20.2 0.2 1 486 . 56 ALA N N 119 0.2 1 487 . 57 LEU H H 8.72 0.01 1 488 . 57 LEU HA H 5.03 0.01 1 489 . 57 LEU HB2 H 1.52 0.01 2 490 . 57 LEU HB3 H 1.51 0.01 2 491 . 57 LEU HG H 1.82 0.01 1 492 . 57 LEU HD1 H 0.72 0.01 2 493 . 57 LEU HD2 H 0.59 0.01 2 494 . 57 LEU C C 176.9 0.2 1 495 . 57 LEU CA C 54.1 0.2 1 496 . 57 LEU CB C 44.3 0.2 1 497 . 57 LEU CG C 26.6 0.2 1 498 . 57 LEU CD1 C 24.6 0.2 2 499 . 57 LEU CD2 C 25.8 0.2 2 500 . 57 LEU N N 118 0.2 1 501 . 58 THR H H 9.3 0.01 1 502 . 58 THR HA H 4.69 0.01 1 503 . 58 THR HB H 3.81 0.01 1 504 . 58 THR HG2 H 0.84 0.01 1 505 . 58 THR C C 172.2 0.2 1 506 . 58 THR CA C 62.7 0.2 1 507 . 58 THR CB C 69.5 0.2 1 508 . 58 THR CG2 C 22.1 0.2 1 509 . 58 THR N N 122.6 0.2 1 510 . 59 GLN H H 8.52 0.01 1 511 . 59 GLN HA H 4.32 0.01 1 512 . 59 GLN HB2 H 1.6 0.01 2 513 . 59 GLN HB3 H 1.5 0.01 2 514 . 59 GLN HE21 H 6.73 0.01 2 515 . 59 GLN HE22 H 6.96 0.01 2 516 . 59 GLN C C 174 0.2 1 517 . 59 GLN CA C 54 0.2 1 518 . 59 GLN CB C 30.3 0.2 1 519 . 59 GLN N N 126.5 0.2 1 520 . 59 GLN NE2 N 111.5 0.2 1 521 . 60 HIS H H 8.33 0.01 1 522 . 60 HIS HA H 4.75 0.01 1 523 . 60 HIS HB2 H 3.05 0.01 1 524 . 60 HIS HB3 H 3.05 0.01 1 525 . 60 HIS C C 176.6 0.2 1 526 . 60 HIS CA C 56.5 0.2 1 527 . 60 HIS CB C 31.2 0.2 1 528 . 60 HIS N N 124.8 0.2 1 529 . 61 GLY H H 7.79 0.01 1 530 . 61 GLY HA2 H 4.4 0.01 1 531 . 61 GLY HA3 H 4.4 0.01 1 532 . 61 GLY C C 174 0.2 1 533 . 61 GLY CA C 44.5 0.2 1 534 . 61 GLY N N 109.4 0.2 1 535 . 62 LYS H H 8.49 0.01 1 536 . 62 LYS HA H 4.34 0.01 1 537 . 62 LYS HB2 H 1.94 0.01 2 538 . 62 LYS HB3 H 1.72 0.01 2 539 . 62 LYS HG2 H 1.43 0.01 1 540 . 62 LYS HG3 H 1.43 0.01 1 541 . 62 LYS HD2 H 1.66 0.01 1 542 . 62 LYS HD3 H 1.66 0.01 1 543 . 62 LYS HE2 H 3 0.01 1 544 . 62 LYS HE3 H 3 0.01 1 545 . 62 LYS C C 177.2 0.2 1 546 . 62 LYS CA C 56 0.2 1 547 . 62 LYS CB C 33.1 0.2 1 548 . 62 LYS CG C 25 0.2 1 549 . 62 LYS CD C 29 0.2 1 550 . 62 LYS CE C 42.3 0.2 1 551 . 62 LYS N N 118.6 0.2 1 552 . 63 GLU H H 8.03 0.01 1 553 . 63 GLU HA H 4.64 0.01 1 554 . 63 GLU HB2 H 2.08 0.01 2 555 . 63 GLU HB3 H 1.91 0.01 2 556 . 63 GLU HG2 H 2.46 0.01 2 557 . 63 GLU HG3 H 1.4 0.01 2 558 . 63 GLU C C 175.9 0.2 1 559 . 63 GLU CA C 56.7 0.2 1 560 . 63 GLU CB C 30.4 0.2 1 561 . 63 GLU CG C 36.6 0.2 1 562 . 63 GLU N N 121.6 0.2 1 563 . 64 GLU H H 8.33 0.01 1 564 . 64 GLU HA H 4.27 0.01 1 565 . 64 GLU HB2 H 2.06 0.01 1 566 . 64 GLU HB3 H 2.06 0.01 1 567 . 64 GLU HG2 H 2.36 0.01 1 568 . 64 GLU HG3 H 2.36 0.01 1 569 . 64 GLU C C 175.8 0.2 1 570 . 64 GLU CA C 55.9 0.2 1 571 . 64 GLU CB C 30.8 0.2 1 572 . 64 GLU CG C 36.6 0.2 1 573 . 64 GLU N N 120.1 0.2 1 574 . 65 LEU H H 6.14 0.01 1 575 . 65 LEU HA H 4.69 0.01 1 576 . 65 LEU HB2 H 2.8 0.01 1 577 . 65 LEU HB3 H 2.8 0.01 1 578 . 65 LEU HG H 0.09 0.01 1 579 . 65 LEU HD1 H -0.63 0.01 2 580 . 65 LEU HD2 H -1.16 0.01 2 581 . 65 LEU C C 173.2 0.2 1 582 . 65 LEU CA C 55 0.2 1 583 . 65 LEU CB C 39.2 0.2 1 584 . 65 LEU CG C 25.1 0.2 1 585 . 65 LEU CD1 C 24.4 0.2 2 586 . 65 LEU CD2 C 20.2 0.2 2 587 . 65 LEU N N 122.4 0.2 1 588 . 66 ARG H H 5.99 0.01 1 589 . 66 ARG HA H 4.18 0.01 1 590 . 66 ARG HB2 H 1.62 0.01 2 591 . 66 ARG HB3 H 1.5 0.01 2 592 . 66 ARG HG2 H 1.29 0.01 1 593 . 66 ARG HG3 H 1.29 0.01 1 594 . 66 ARG HD2 H 3.04 0.01 2 595 . 66 ARG HD3 H 3.12 0.01 2 596 . 66 ARG C C 173.4 0.2 1 597 . 66 ARG CA C 54.9 0.2 1 598 . 66 ARG CB C 32.9 0.2 1 599 . 66 ARG CG C 26.2 0.2 1 600 . 66 ARG CD C 43.5 0.2 1 601 . 66 ARG N N 121.9 0.2 1 602 . 67 PHE H H 8.25 0.01 1 603 . 67 PHE HA H 4.74 0.01 1 604 . 67 PHE HB2 H 3.04 0.01 1 605 . 67 PHE HB3 H 3.04 0.01 1 606 . 67 PHE CA C 56.1 0.2 1 607 . 67 PHE CB C 42.9 0.2 1 608 . 67 PHE N N 119.1 0.2 1 609 . 68 PRO HA H 4.39 0.01 1 610 . 68 PRO HB2 H 2.28 0.01 2 611 . 68 PRO HB3 H 1.86 0.01 2 612 . 68 PRO C C 175.5 0.2 1 613 . 68 PRO CA C 62.3 0.2 1 614 . 68 PRO CB C 32.2 0.2 1 615 . 69 ARG H H 8.45 0.01 1 616 . 69 ARG HA H 4.21 0.01 1 617 . 69 ARG HB2 H 1.91 0.01 2 618 . 69 ARG HB3 H 1.8 0.01 2 619 . 69 ARG HG2 H 1.69 0.01 1 620 . 69 ARG HG3 H 1.69 0.01 1 621 . 69 ARG HD2 H 3.31 0.01 1 622 . 69 ARG HD3 H 3.31 0.01 1 623 . 69 ARG C C 177.7 0.2 1 624 . 69 ARG CA C 58.4 0.2 1 625 . 69 ARG CB C 30 0.2 1 626 . 69 ARG CG C 26.9 0.2 1 627 . 69 ARG CD C 43.8 0.2 1 628 . 69 ARG N N 122.5 0.2 1 629 . 70 GLY H H 8.91 0.01 1 630 . 70 GLY HA2 H 4.2 0.01 1 631 . 70 GLY HA3 H 4.2 0.01 1 632 . 70 GLY C C 173.2 0.2 1 633 . 70 GLY CA C 45.5 0.2 1 634 . 70 GLY N N 115.9 0.2 1 635 . 71 GLN H H 8.09 0.01 1 636 . 71 GLN HA H 4.47 0.01 9 637 . 71 GLN HB2 H 1.99 0.01 4 638 . 71 GLN HB3 H 1.7 0.01 4 639 . 71 GLN HG2 H 2.28 0.01 4 640 . 71 GLN HE21 H 7.37 0.01 2 641 . 71 GLN HE22 H 6.83 0.01 2 642 . 71 GLN C C 175.8 0.2 1 643 . 71 GLN CA C 54.9 0.2 1 644 . 71 GLN CB C 31.7 0.2 1 645 . 71 GLN N N 120 0.2 1 646 . 71 GLN NE2 N 110.4 0.2 1 647 . 72 GLY H H 8.4 0.01 1 648 . 72 GLY HA2 H 4.62 0.01 1 649 . 72 GLY HA3 H 4.62 0.01 1 650 . 72 GLY C C 172.4 0.2 1 651 . 72 GLY CA C 43.7 0.2 1 652 . 72 GLY N N 103.3 0.2 1 653 . 73 VAL H H 7.4 0.01 1 654 . 73 VAL HA H 3.32 0.01 1 655 . 73 VAL HB H 1.57 0.01 1 656 . 73 VAL HG1 H 0.57 0.01 1 657 . 73 VAL HG2 H 0.57 0.01 1 658 . 73 VAL CA C 60.4 0.2 1 659 . 73 VAL CB C 31.4 0.2 1 660 . 73 VAL CG1 C 21.1 0.2 1 661 . 73 VAL CG2 C 21.1 0.2 1 662 . 73 VAL N N 123.7 0.2 1 663 . 74 PRO HA H 3.97 0.01 1 664 . 74 PRO HB2 H 1.25 0.01 2 665 . 74 PRO HB3 H 0.49 0.01 2 666 . 74 PRO HG2 H 0.62 0.01 2 667 . 74 PRO HG3 H 0.18 0.01 2 668 . 74 PRO HD2 H 2.53 0.01 1 669 . 74 PRO HD3 H 2.53 0.01 1 670 . 74 PRO C C 175.3 0.2 1 671 . 74 PRO CA C 62 0.2 1 672 . 74 PRO CB C 32.1 0.2 1 673 . 74 PRO CG C 27.2 0.2 1 674 . 74 PRO CD C 49.3 0.2 1 675 . 75 ILE H H 8.03 0.01 1 676 . 75 ILE HA H 3.69 0.01 1 677 . 75 ILE HB H 1.49 0.01 1 678 . 75 ILE HG12 H 1.34 0.01 2 679 . 75 ILE HG13 H 0.94 0.01 2 680 . 75 ILE HG2 H 0.79 0.01 1 681 . 75 ILE HD1 H 0.6 0.01 1 682 . 75 ILE C C 176.8 0.2 1 683 . 75 ILE CA C 62.2 0.2 1 684 . 75 ILE CB C 38.3 0.2 1 685 . 75 ILE CG1 C 27.7 0.2 1 686 . 75 ILE CG2 C 16.9 0.2 1 687 . 75 ILE CD1 C 13.3 0.2 1 688 . 75 ILE N N 119.9 0.2 1 689 . 76 ASN H H 8.79 0.01 1 690 . 76 ASN HA H 5.04 0.01 1 691 . 76 ASN HB2 H 3.34 0.01 2 692 . 76 ASN HB3 H 2.96 0.01 2 693 . 76 ASN HD21 H 7.63 0.01 2 694 . 76 ASN HD22 H 7.05 0.01 2 695 . 76 ASN CA C 51.9 0.2 1 696 . 76 ASN CB C 39 0.2 1 697 . 76 ASN N N 124.1 0.2 1 698 . 76 ASN ND2 N 108.7 0.2 1 699 . 77 THR H H 7.52 0.01 1 700 . 77 THR HA H 4.2 0.01 1 701 . 77 THR HB H 4.4 0.01 1 702 . 77 THR HG2 H 1.27 0.01 1 703 . 77 THR C C 174.9 0.2 1 704 . 77 THR CA C 64.5 0.2 1 705 . 77 THR CB C 68.5 0.2 1 706 . 77 THR CG2 C 21.6 0.2 1 707 . 77 THR N N 113.6 0.2 1 708 . 78 ASN H H 7.86 0.01 1 709 . 78 ASN HA H 4.94 0.01 1 710 . 78 ASN HB2 H 2.82 0.01 2 711 . 78 ASN HB3 H 2.51 0.01 2 712 . 78 ASN HD21 H 7.49 0.01 2 713 . 78 ASN HD22 H 6.84 0.01 2 714 . 78 ASN C C 173.4 0.2 1 715 . 78 ASN CA C 52.9 0.2 1 716 . 78 ASN CB C 38.2 0.2 1 717 . 78 ASN N N 120.4 0.2 1 718 . 78 ASN ND2 N 114.8 0.2 1 719 . 79 SER H H 7.61 0.01 1 720 . 79 SER HA H 4.62 0.01 1 721 . 79 SER HB2 H 4.01 0.01 2 722 . 79 SER HB3 H 3.65 0.01 2 723 . 79 SER C C 172.9 0.2 1 724 . 79 SER CA C 57.7 0.2 1 725 . 79 SER CB C 66.3 0.2 1 726 . 79 SER N N 114 0.2 1 727 . 80 GLY H H 9.45 0.01 1 728 . 80 GLY HA2 H 3.96 0.01 1 729 . 80 GLY HA3 H 3.96 0.01 1 730 . 80 GLY CA C 44.3 0.2 1 731 . 80 GLY N N 110 0.2 1 732 . 81 PRO HA H 4.26 0.01 1 733 . 81 PRO HB2 H 2.35 0.01 2 734 . 81 PRO HB3 H 2.06 0.01 2 735 . 81 PRO HG2 H 2.05 0.01 1 736 . 81 PRO HG3 H 2.05 0.01 1 737 . 81 PRO HD2 H 3.67 0.01 1 738 . 81 PRO HD3 H 3.67 0.01 1 739 . 81 PRO C C 178.9 0.2 1 740 . 81 PRO CA C 65.9 0.2 1 741 . 81 PRO CB C 31.8 0.2 1 742 . 81 PRO CG C 27.5 0.2 1 743 . 81 PRO CD C 49.7 0.2 1 744 . 82 ASP H H 8.82 0.01 1 745 . 82 ASP HA H 4.38 0.01 1 746 . 82 ASP HB2 H 2.79 0.01 2 747 . 82 ASP HB3 H 2.61 0.01 2 748 . 82 ASP C C 178.2 0.2 1 749 . 82 ASP CA C 56.9 0.2 1 750 . 82 ASP CB C 41.2 0.2 1 751 . 82 ASP N N 116.8 0.2 1 752 . 83 ASP H H 7.98 0.01 1 753 . 83 ASP HA H 4.51 0.01 1 754 . 83 ASP HB2 H 2.97 0.01 2 755 . 83 ASP HB3 H 2.9 0.01 2 756 . 83 ASP C C 176.5 0.2 1 757 . 83 ASP CA C 55.9 0.2 1 758 . 83 ASP CB C 43.3 0.2 1 759 . 83 ASP N N 114.6 0.2 1 760 . 84 GLN H H 6.69 0.01 1 761 . 84 GLN HA H 4.28 0.01 1 762 . 84 GLN HB2 H 2.37 0.01 2 763 . 84 GLN HB3 H 2.22 0.01 2 764 . 84 GLN HG2 H 2.22 0.01 1 765 . 84 GLN HG3 H 2.22 0.01 1 766 . 84 GLN HE21 H 7.77 0.01 2 767 . 84 GLN HE22 H 7.66 0.01 2 768 . 84 GLN C C 172.1 0.2 1 769 . 84 GLN CA C 54.8 0.2 1 770 . 84 GLN CB C 26.2 0.2 1 771 . 84 GLN CG C 32.5 0.2 1 772 . 84 GLN N N 114.3 0.2 1 773 . 84 GLN NE2 N 118 0.2 1 774 . 85 ILE H H 9.14 0.01 1 775 . 85 ILE HA H 5.21 0.01 1 776 . 85 ILE HB H 2.01 0.01 1 777 . 85 ILE HG12 H 1.06 0.01 1 778 . 85 ILE HG13 H 1.06 0.01 1 779 . 85 ILE HG2 H 1.26 0.01 1 780 . 85 ILE HD1 H 0.17 0.01 1 781 . 85 ILE C C 174.7 0.2 1 782 . 85 ILE CA C 60 0.2 1 783 . 85 ILE CB C 39.2 0.2 1 784 . 85 ILE CG1 C 28.9 0.2 1 785 . 85 ILE CG2 C 15.6 0.2 1 786 . 85 ILE CD1 C 13.3 0.2 1 787 . 85 ILE N N 123.3 0.2 1 788 . 86 GLY H H 9.63 0.01 1 789 . 86 GLY HA2 H 4.7 0.01 1 790 . 86 GLY HA3 H 4.7 0.01 1 791 . 86 GLY C C 168.7 0.2 1 792 . 86 GLY CA C 47.6 0.2 1 793 . 86 GLY N N 114 0.2 1 794 . 87 TYR H H 8.47 0.01 1 795 . 87 TYR HA H 5.81 0.01 1 796 . 87 TYR HB2 H 1.74 0.01 2 797 . 87 TYR HB3 H 1.96 0.01 2 798 . 87 TYR C C 176.8 0.2 1 799 . 87 TYR CA C 54.3 0.2 1 800 . 87 TYR CB C 39.8 0.2 1 801 . 87 TYR N N 117.6 0.2 1 802 . 88 TYR H H 9.52 0.01 1 803 . 88 TYR HA H 5.42 0.01 1 804 . 88 TYR HB2 H 2.73 0.01 2 805 . 88 TYR HB3 H 2.97 0.01 2 806 . 88 TYR C C 173.1 0.2 1 807 . 88 TYR CA C 57.1 0.2 1 808 . 88 TYR CB C 43.1 0.2 1 809 . 88 TYR N N 116.8 0.2 1 810 . 89 ARG H H 9.8 0.01 1 811 . 89 ARG HA H 5.83 0.01 1 812 . 89 ARG HB2 H 1.76 0.01 2 813 . 89 ARG HB3 H 2.21 0.01 2 814 . 89 ARG HG2 H 1.74 0.01 1 815 . 89 ARG HG3 H 1.74 0.01 1 816 . 89 ARG HD2 H 3 0.01 2 817 . 89 ARG HD3 H 3.26 0.01 2 818 . 89 ARG C C 176.1 0.2 1 819 . 89 ARG CA C 53.6 0.2 1 820 . 89 ARG CB C 34.6 0.2 1 821 . 89 ARG CG C 28.5 0.2 1 822 . 89 ARG CD C 44.5 0.2 1 823 . 89 ARG N N 122.9 0.2 1 824 . 90 ARG H H 8.68 0.01 1 825 . 90 ARG C C 174.8 0.2 1 826 . 90 ARG CA C 56.6 0.2 1 827 . 90 ARG CB C 29.8 0.2 1 828 . 90 ARG N N 133.2 0.2 1 829 . 91 ALA H H 9.53 0.01 1 830 . 91 ALA HA H 4.74 0.01 1 831 . 91 ALA HB H 1.58 0.01 1 832 . 91 ALA C C 177 0.2 1 833 . 91 ALA CA C 51.7 0.2 1 834 . 91 ALA CB C 21.1 0.2 1 835 . 91 ALA N N 132.3 0.2 1 836 . 92 THR H H 8.47 0.01 1 837 . 92 THR HA H 4.39 0.01 1 838 . 92 THR HB H 4.03 0.01 1 839 . 92 THR HG2 H 1.14 0.01 1 840 . 92 THR C C 174.3 0.2 1 841 . 92 THR CA C 61.7 0.2 1 842 . 92 THR CB C 70.3 0.2 1 843 . 92 THR CG2 C 21.3 0.2 1 844 . 92 THR N N 117.6 0.2 1 845 . 93 ARG H H 8.92 0.01 1 846 . 93 ARG HA H 4.58 0.01 1 847 . 93 ARG HB2 H 1.79 0.01 2 848 . 93 ARG HB3 H 1.7 0.01 2 849 . 93 ARG HG2 H 1.65 0.01 2 850 . 93 ARG HG3 H 1.6 0.01 2 851 . 93 ARG HD2 H 3.26 0.01 1 852 . 93 ARG HD3 H 3.26 0.01 1 853 . 93 ARG C C 174.3 0.2 1 854 . 93 ARG CA C 55.8 0.2 1 855 . 93 ARG CB C 33.1 0.2 1 856 . 93 ARG CG C 27.1 0.2 1 857 . 93 ARG CD C 43.6 0.2 1 858 . 93 ARG N N 125.4 0.2 1 859 . 94 ARG H H 8.46 0.01 1 860 . 94 ARG HA H 5.08 0.01 1 861 . 94 ARG HB2 H 1.72 0.01 2 862 . 94 ARG HB3 H 1.65 0.01 2 863 . 94 ARG HG2 H 1.57 0.01 2 864 . 94 ARG HG3 H 1.51 0.01 2 865 . 94 ARG HD2 H 3.13 0.01 1 866 . 94 ARG HD3 H 3.13 0.01 1 867 . 94 ARG C C 175.6 0.2 1 868 . 94 ARG CA C 55.2 0.2 1 869 . 94 ARG CB C 32.6 0.2 1 870 . 94 ARG CG C 27.3 0.2 1 871 . 94 ARG CD C 43.7 0.2 1 872 . 94 ARG N N 123.3 0.2 1 873 . 95 VAL H H 8.68 0.01 1 874 . 95 VAL HA H 4.48 0.01 1 875 . 95 VAL HB H 2.05 0.01 1 876 . 95 VAL HG1 H 0.88 0.01 2 877 . 95 VAL HG2 H 0.85 0.01 2 878 . 95 VAL C C 174.2 0.2 1 879 . 95 VAL CA C 60.2 0.2 1 880 . 95 VAL CB C 35.4 0.2 1 881 . 95 VAL CG1 C 21.3 0.2 2 882 . 95 VAL CG2 C 19.8 0.2 2 883 . 95 VAL N N 120 0.2 1 884 . 96 ARG H H 8.63 0.01 1 885 . 96 ARG HA H 4.52 0.01 1 886 . 96 ARG HB2 H 1.79 0.01 2 887 . 96 ARG HB3 H 1.71 0.01 2 888 . 96 ARG HG2 H 1.51 0.01 1 889 . 96 ARG HG3 H 1.51 0.01 1 890 . 96 ARG HD2 H 3.19 0.01 1 891 . 96 ARG HD3 H 3.19 0.01 1 892 . 96 ARG C C 177.2 0.2 1 893 . 96 ARG CA C 56.5 0.2 1 894 . 96 ARG CB C 30.8 0.2 1 895 . 96 ARG CG C 27.1 0.2 1 896 . 96 ARG CD C 43.4 0.2 1 897 . 96 ARG N N 126 0.2 1 898 . 97 GLY H H 8.72 0.01 1 899 . 97 GLY HA2 H 4.8 0.01 1 900 . 97 GLY HA3 H 4.8 0.01 1 901 . 97 GLY CA C 44.5 0.2 1 902 . 97 GLY N N 114.1 0.2 1 903 . 98 GLY H H 7.58 0.01 1 904 . 98 GLY HA2 H 3.92 0.01 1 905 . 98 GLY HA3 H 3.92 0.01 1 906 . 98 GLY C C 174.3 0.2 1 907 . 98 GLY CA C 46.7 0.2 1 908 . 98 GLY N N 111.6 0.2 1 909 . 99 ASP H H 8.12 0.01 1 910 . 99 ASP HA H 4.58 0.01 1 911 . 99 ASP HB2 H 2.98 0.01 2 912 . 99 ASP HB3 H 2.66 0.01 2 913 . 99 ASP C C 177.1 0.2 1 914 . 99 ASP CA C 53.2 0.2 1 915 . 99 ASP CB C 40.4 0.2 1 916 . 99 ASP N N 118.7 0.2 1 917 . 100 GLY H H 8.16 0.01 1 918 . 100 GLY HA2 H 4.24 0.01 2 919 . 100 GLY HA3 H 3.65 0.01 2 920 . 100 GLY C C 174.1 0.2 1 921 . 100 GLY CA C 45.5 0.2 1 922 . 100 GLY N N 108.6 0.2 1 923 . 101 LYS H H 7.89 0.01 1 924 . 101 LYS HA H 4.45 0.01 1 925 . 101 LYS HB2 H 1.82 0.01 1 926 . 101 LYS HB3 H 1.82 0.01 1 927 . 101 LYS HG2 H 1.33 0.01 1 928 . 101 LYS HG3 H 1.33 0.01 1 929 . 101 LYS HD2 H 1.66 0.01 1 930 . 101 LYS HD3 H 1.66 0.01 1 931 . 101 LYS HE2 H 2.95 0.01 1 932 . 101 LYS HE3 H 2.95 0.01 1 933 . 101 LYS C C 177 0.2 1 934 . 101 LYS CA C 55.7 0.2 1 935 . 101 LYS CB C 33 0.2 1 936 . 101 LYS CG C 25.3 0.2 1 937 . 101 LYS CD C 29 0.2 1 938 . 101 LYS CE C 42.4 0.2 1 939 . 101 LYS N N 121.5 0.2 1 940 . 102 MET H H 8.7 0.01 1 941 . 102 MET HA H 4.82 0.01 1 942 . 102 MET HB2 H 2.05 0.01 2 943 . 102 MET HB3 H 1.83 0.01 2 944 . 102 MET HG2 H 2.63 0.01 2 945 . 102 MET HG3 H 2.57 0.01 2 946 . 102 MET C C 176.3 0.2 1 947 . 102 MET CA C 54.8 0.2 1 948 . 102 MET CB C 31.8 0.2 1 949 . 102 MET CG C 32 0.2 1 950 . 102 MET N N 122.5 0.2 1 951 . 103 LYS H H 9.03 0.01 1 952 . 103 LYS HA H 4.59 0.01 1 953 . 103 LYS HB2 H 1.79 0.01 2 954 . 103 LYS HB3 H 1.76 0.01 2 955 . 103 LYS HG2 H 1.38 0.01 1 956 . 103 LYS HG3 H 1.38 0.01 1 957 . 103 LYS HD2 H 1.66 0.01 1 958 . 103 LYS HD3 H 1.66 0.01 1 959 . 103 LYS HE2 H 3 0.01 2 960 . 103 LYS HE3 H 2.95 0.01 2 961 . 103 LYS C C 175.1 0.2 1 962 . 103 LYS CA C 55 0.2 1 963 . 103 LYS CB C 34.6 0.2 1 964 . 103 LYS CG C 24.5 0.2 1 965 . 103 LYS CD C 29.1 0.2 1 966 . 103 LYS CE C 42.2 0.2 1 967 . 103 LYS N N 125 0.2 1 968 . 104 GLU H H 8.56 0.01 1 969 . 104 GLU HA H 4.63 0.01 1 970 . 104 GLU HB2 H 2.07 0.01 2 971 . 104 GLU HB3 H 1.92 0.01 2 972 . 104 GLU HG2 H 2.44 0.01 2 973 . 104 GLU HG3 H 2.29 0.01 2 974 . 104 GLU C C 176.7 0.2 1 975 . 104 GLU CA C 56.2 0.2 1 976 . 104 GLU CB C 30.6 0.2 1 977 . 104 GLU CG C 36.6 0.2 1 978 . 104 GLU N N 123.5 0.2 1 979 . 105 LEU H H 8.39 0.01 1 980 . 105 LEU HA H 4.62 0.01 1 981 . 105 LEU HB2 H 1.86 0.01 2 982 . 105 LEU HB3 H 1.75 0.01 2 983 . 105 LEU HG H 1.6 0.01 1 984 . 105 LEU HD1 H 0.85 0.01 2 985 . 105 LEU HD2 H 0.87 0.01 2 986 . 105 LEU C C 177 0.2 1 987 . 105 LEU CA C 53.8 0.2 1 988 . 105 LEU CB C 42.9 0.2 1 989 . 105 LEU CG C 27.1 0.2 1 990 . 105 LEU CD1 C 22.7 0.2 2 991 . 105 LEU CD2 C 25.5 0.2 2 992 . 105 LEU N N 125.6 0.2 1 993 . 106 SER H H 8.33 0.01 1 994 . 106 SER HA H 4.63 0.01 1 995 . 106 SER HB2 H 4 0.01 2 996 . 106 SER HB3 H 3.58 0.01 2 997 . 106 SER CA C 58.1 0.2 1 998 . 106 SER CB C 62.8 0.2 1 999 . 106 SER N N 118.3 0.2 1 1000 . 107 PRO C C 175.1 0.2 1 1001 . 107 PRO CA C 63.6 0.2 1 1002 . 107 PRO CB C 32.8 0.2 1 1003 . 108 ARG H H 8.1 0.01 1 1004 . 108 ARG HA H 5.15 0.01 1 1005 . 108 ARG HB2 H 1.71 0.01 2 1006 . 108 ARG HB3 H 1.45 0.01 2 1007 . 108 ARG HG2 H 1.74 0.01 2 1008 . 108 ARG HG3 H 1.49 0.01 2 1009 . 108 ARG HD2 H 3.16 0.01 2 1010 . 108 ARG HD3 H 3.07 0.01 2 1011 . 108 ARG C C 174.2 0.2 1 1012 . 108 ARG CA C 54.8 0.2 1 1013 . 108 ARG CB C 35.1 0.2 1 1014 . 108 ARG CG C 28.4 0.2 1 1015 . 108 ARG CD C 43.7 0.2 1 1016 . 108 ARG N N 120.5 0.2 1 1017 . 109 TRP H H 9.36 0.01 1 1018 . 109 TRP HA H 5.29 0.01 1 1019 . 109 TRP HB2 H 3.08 0.01 2 1020 . 109 TRP HB3 H 3.19 0.01 2 1021 . 109 TRP HE1 H 10.84 0.01 1 1022 . 109 TRP C C 177.6 0.2 1 1023 . 109 TRP CA C 55.9 0.2 1 1024 . 109 TRP CB C 31 0.2 1 1025 . 109 TRP N N 122.2 0.2 1 1026 . 109 TRP NE1 N 132.8 0.2 1 1027 . 110 TYR H H 8.58 0.01 1 1028 . 110 TYR HA H 5.43 0.01 1 1029 . 110 TYR HB2 H 2.98 0.01 2 1030 . 110 TYR HB3 H 2.72 0.01 2 1031 . 110 TYR C C 175.3 0.2 1 1032 . 110 TYR CA C 56.5 0.2 1 1033 . 110 TYR CB C 43.3 0.2 1 1034 . 110 TYR N N 120.7 0.2 1 1035 . 111 PHE H H 9.64 0.01 1 1036 . 111 PHE HA H 4.56 0.01 1 1037 . 111 PHE HB2 H 2.31 0.01 2 1038 . 111 PHE HB3 H 2.13 0.01 2 1039 . 111 PHE C C 175.1 0.2 1 1040 . 111 PHE CA C 57.1 0.2 1 1041 . 111 PHE CB C 40.1 0.2 1 1042 . 111 PHE N N 122.3 0.2 1 1043 . 112 TYR H H 8.33 0.01 1 1044 . 112 TYR C C 171.9 0.2 1 1045 . 112 TYR CA C 57.3 0.2 1 1046 . 112 TYR CB C 40.8 0.2 1 1047 . 112 TYR N N 129.2 0.2 1 1048 . 113 TYR H H 6.92 0.01 1 1049 . 113 TYR HA H 4.37 0.01 1 1050 . 113 TYR HB2 H 2.87 0.01 1 1051 . 113 TYR HB3 H 2.87 0.01 1 1052 . 113 TYR C C 176.8 0.2 1 1053 . 113 TYR CA C 60.4 0.2 1 1054 . 113 TYR CB C 39.6 0.2 1 1055 . 113 TYR N N 116.9 0.2 1 1056 . 114 LEU H H 9.01 0.01 1 1057 . 114 LEU C C 176.4 0.2 1 1058 . 114 LEU CA C 57.1 0.2 1 1059 . 114 LEU CB C 45.4 0.2 1 1060 . 114 LEU N N 125.4 0.2 1 1061 . 115 GLY H H 9.94 0.01 1 1062 . 115 GLY HA2 H 3.8 0.01 2 1063 . 115 GLY HA3 H 3.77 0.01 2 1064 . 115 GLY C C 173.6 0.2 1 1065 . 115 GLY CA C 46.2 0.2 1 1066 . 115 GLY N N 115.1 0.2 1 1067 . 116 THR H H 8.2 0.01 1 1068 . 116 THR HA H 5.08 0.01 1 1069 . 116 THR HB H 4.24 0.01 1 1070 . 116 THR HG2 H 1.16 0.01 1 1071 . 116 THR C C 174.5 0.2 1 1072 . 116 THR CA C 59.5 0.2 1 1073 . 116 THR CB C 73.7 0.2 1 1074 . 116 THR N N 109.6 0.2 1 1075 . 117 GLY H H 9.14 0.01 1 1076 . 117 GLY HA2 H 4.21 0.01 2 1077 . 117 GLY HA3 H 3.65 0.01 2 1078 . 117 GLY CA C 45.8 0.2 1 1079 . 117 GLY N N 107.7 0.2 1 1080 . 118 PRO HA H 4.24 0.01 1 1081 . 118 PRO HB2 H 2.23 0.01 2 1082 . 118 PRO HB3 H 1.91 0.01 2 1083 . 118 PRO C C 177.4 0.2 1 1084 . 118 PRO CA C 64.7 0.2 1 1085 . 118 PRO CB C 32.3 0.2 1 1086 . 118 PRO CG C 27.4 0.2 1 1087 . 118 PRO CD C 50.6 0.2 1 1088 . 119 GLU H H 7.62 0.01 1 1089 . 119 GLU HA H 4.35 0.01 1 1090 . 119 GLU HB2 H 1.38 0.01 2 1091 . 119 GLU HB3 H 1.3 0.01 2 1092 . 119 GLU HG2 H 1.66 0.01 2 1093 . 119 GLU HG3 H 1.59 0.01 2 1094 . 119 GLU C C 177.3 0.2 1 1095 . 119 GLU CA C 52.8 0.2 1 1096 . 119 GLU CB C 25.8 0.2 1 1097 . 119 GLU CG C 41.8 0.2 1 1098 . 119 GLU N N 115.4 0.2 1 1099 . 120 ALA H H 7 0.01 1 1100 . 120 ALA HA H 3.67 0.01 1 1101 . 120 ALA HB H 1.34 0.01 1 1102 . 120 ALA C C 177.5 0.2 1 1103 . 120 ALA CA C 55.7 0.2 1 1104 . 120 ALA CB C 18.9 0.2 1 1105 . 120 ALA N N 123.9 0.2 1 1106 . 121 SER H H 8.05 0.01 1 1107 . 121 SER HA H 4.42 0.01 1 1108 . 121 SER HB2 H 3.92 0.01 2 1109 . 121 SER HB3 H 3.87 0.01 2 1110 . 121 SER C C 174.7 0.2 1 1111 . 121 SER CA C 58.7 0.2 1 1112 . 121 SER CB C 63.7 0.2 1 1113 . 121 SER N N 108.2 0.2 1 1114 . 122 LEU H H 7.66 0.01 1 1115 . 122 LEU HA H 4.61 0.01 1 1116 . 122 LEU HB2 H 1.85 0.01 1 1117 . 122 LEU HB3 H 1.85 0.01 1 1118 . 122 LEU HG H 1.9 0.01 1 1119 . 122 LEU HD1 H 0.9 0.01 2 1120 . 122 LEU HD2 H 0.85 0.01 2 1121 . 122 LEU CA C 52.9 0.2 1 1122 . 122 LEU CB C 42.6 0.2 1 1123 . 122 LEU CG C 26.4 0.2 1 1124 . 122 LEU CD1 C 25.5 0.2 2 1125 . 122 LEU CD2 C 24.3 0.2 2 1126 . 122 LEU N N 126.2 0.2 1 1127 . 123 PRO HA H 4.42 0.01 1 1128 . 123 PRO HB2 H 1.75 0.01 2 1129 . 123 PRO HB3 H 2.2 0.01 2 1130 . 123 PRO C C 174.4 0.2 1 1131 . 123 PRO CA C 61.6 0.2 1 1132 . 123 PRO CB C 32.2 0.2 1 1133 . 123 PRO CG C 27.1 0.2 1 1134 . 123 PRO CD C 50.8 0.2 1 1135 . 124 TYR H H 8.53 0.01 1 1136 . 124 TYR HA H 4.4 0.01 1 1137 . 124 TYR HB2 H 2.68 0.01 2 1138 . 124 TYR HB3 H 2.44 0.01 2 1139 . 124 TYR C C 177.2 0.2 1 1140 . 124 TYR CA C 59.6 0.2 1 1141 . 124 TYR CB C 37.9 0.2 1 1142 . 124 TYR N N 119.7 0.2 1 1143 . 125 GLY H H 3.01 0.01 1 1144 . 125 GLY HA2 H 3.6 0.01 2 1145 . 125 GLY HA3 H 2.56 0.01 2 1146 . 125 GLY C C 173.9 0.2 1 1147 . 125 GLY CA C 44.8 0.2 1 1148 . 125 GLY N N 112.9 0.2 1 1149 . 126 ALA H H 7.37 0.01 1 1150 . 126 ALA HA H 4.12 0.01 1 1151 . 126 ALA HB H 1.51 0.01 1 1152 . 126 ALA C C 178 0.2 1 1153 . 126 ALA CA C 53.2 0.2 1 1154 . 126 ALA CB C 19.7 0.2 1 1155 . 126 ALA N N 124.5 0.2 1 1156 . 127 ASN H H 8.74 0.01 1 1157 . 127 ASN HA H 4.73 0.01 1 1158 . 127 ASN HB2 H 2.87 0.01 2 1159 . 127 ASN HB3 H 2.8 0.01 2 1160 . 127 ASN C C 174.7 0.2 1 1161 . 127 ASN CA C 53.6 0.2 1 1162 . 127 ASN CB C 39.4 0.2 1 1163 . 127 ASN N N 122.5 0.2 1 1164 . 128 LYS H H 8.68 0.01 1 1165 . 128 LYS HA H 4.27 0.01 1 1166 . 128 LYS HB3 H 1.69 0.01 1 1167 . 128 LYS C C 174.2 0.2 1 1168 . 128 LYS CA C 56.7 0.2 1 1169 . 128 LYS CB C 35.2 0.2 1 1170 . 128 LYS N N 128.5 0.2 1 1171 . 129 GLU H H 8.62 0.01 1 1172 . 129 GLU HA H 4.19 0.01 1 1173 . 129 GLU HB2 H 2.05 0.01 2 1174 . 129 GLU HB3 H 1.96 0.01 2 1175 . 129 GLU HG2 H 2.33 0.01 2 1176 . 129 GLU HG3 H 2.3 0.01 2 1177 . 129 GLU C C 177.4 0.2 1 1178 . 129 GLU CA C 58.4 0.2 1 1179 . 129 GLU CB C 29.3 0.2 1 1180 . 129 GLU CG C 36.1 0.2 1 1181 . 129 GLU N N 128 0.2 1 1182 . 130 GLY H H 9.25 0.01 1 1183 . 130 GLY HA2 H 4.14 0.01 2 1184 . 130 GLY HA3 H 3.44 0.01 2 1185 . 130 GLY C C 171.8 0.2 1 1186 . 130 GLY CA C 45.9 0.2 1 1187 . 130 GLY N N 113.8 0.2 1 1188 . 131 ILE H H 7.7 0.01 1 1189 . 131 ILE HA H 5.47 0.01 2 1190 . 131 ILE HB H 2.11 0.01 2 1191 . 131 ILE HG12 H 1.32 0.01 2 1192 . 131 ILE HG13 H 0.87 0.01 2 1193 . 131 ILE HG2 H 0.02 0.01 1 1194 . 131 ILE HD1 H 0.68 0.01 1 1195 . 131 ILE C C 176.7 0.2 1 1196 . 131 ILE CA C 57.8 0.2 1 1197 . 131 ILE CB C 37.5 0.2 1 1198 . 131 ILE CG1 C 26.9 0.2 1 1199 . 131 ILE CG2 C 16.6 0.2 1 1200 . 131 ILE CD1 C 11.4 0.2 1 1201 . 131 ILE N N 118.7 0.2 1 1202 . 132 VAL H H 9.11 0.01 1 1203 . 132 VAL HA H 4.55 0.01 2 1204 . 132 VAL HB H 1.97 0.01 2 1205 . 132 VAL HG1 H 0.96 0.01 2 1206 . 132 VAL HG2 H 0.89 0.01 2 1207 . 132 VAL C C 174.8 0.2 1 1208 . 132 VAL CA C 61.3 0.2 1 1209 . 132 VAL CB C 35.9 0.2 1 1210 . 132 VAL CG1 C 22.2 0.2 2 1211 . 132 VAL CG2 C 20.7 0.2 2 1212 . 132 VAL N N 129.1 0.2 1 1213 . 133 TRP H H 8.7 0.01 1 1214 . 133 TRP HA H 5.22 0.01 1 1215 . 133 TRP HB2 H 1.92 0.01 1 1216 . 133 TRP HB3 H 1.92 0.01 1 1217 . 133 TRP HE1 H 10.87 0.01 1 1218 . 133 TRP C C 176.8 0.2 1 1219 . 133 TRP CA C 57.3 0.2 1 1220 . 133 TRP CB C 30.4 0.2 1 1221 . 133 TRP N N 129.1 0.2 1 1222 . 133 TRP NE1 N 130.3 0.2 1 1223 . 134 VAL H H 9.52 0.01 1 1224 . 134 VAL HA H 5.16 0.01 1 1225 . 134 VAL HB H 2.07 0.01 1 1226 . 134 VAL HG1 H 1.07 0.01 2 1227 . 134 VAL HG2 H 0.9 0.01 2 1228 . 134 VAL C C 174 0.2 1 1229 . 134 VAL CA C 59.7 0.2 1 1230 . 134 VAL CB C 36.4 0.2 1 1231 . 134 VAL CG1 C 24.6 0.2 2 1232 . 134 VAL CG2 C 20.1 0.2 2 1233 . 134 VAL N N 116.8 0.2 1 1234 . 135 ALA H H 8.48 0.01 1 1235 . 135 ALA HA H 4.85 0.01 1 1236 . 135 ALA HB H 1.36 0.01 1 1237 . 135 ALA C C 176.8 0.2 1 1238 . 135 ALA CA C 52.7 0.2 1 1239 . 135 ALA CB C 22.2 0.2 1 1240 . 135 ALA N N 120.5 0.2 1 1241 . 136 THR H H 8.25 0.01 1 1242 . 136 THR HA H 4.4 0.01 1 1243 . 136 THR HB H 4.3 0.01 1 1244 . 136 THR HG2 H 1.22 0.01 1 1245 . 136 THR C C 175.1 0.2 1 1246 . 136 THR CA C 61.4 0.2 1 1247 . 136 THR CB C 70.2 0.2 1 1248 . 136 THR CG2 C 21.2 0.2 1 1249 . 136 THR N N 117.4 0.2 1 1250 . 137 GLU H H 9.01 0.01 1 1251 . 137 GLU HA H 4.05 0.01 1 1252 . 137 GLU HB2 H 2.07 0.01 2 1253 . 137 GLU HB3 H 1.99 0.01 2 1254 . 137 GLU HG2 H 2.34 0.01 2 1255 . 137 GLU HG3 H 2.3 0.01 2 1256 . 137 GLU C C 177.5 0.2 1 1257 . 137 GLU CA C 58.7 0.2 1 1258 . 137 GLU CB C 29.3 0.2 1 1259 . 137 GLU CG C 36.1 0.2 1 1260 . 137 GLU N N 126.4 0.2 1 1261 . 138 GLY H H 8.61 0.01 1 1262 . 138 GLY HA2 H 4.12 0.01 2 1263 . 138 GLY HA3 H 3.73 0.01 2 1264 . 138 GLY C C 174.3 0.2 1 1265 . 138 GLY CA C 44.9 0.2 1 1266 . 138 GLY N N 113.2 0.2 1 1267 . 139 ALA H H 7.46 0.01 1 1268 . 139 ALA HA H 4.36 0.01 2 1269 . 139 ALA HB H 1.29 0.01 1 1270 . 139 ALA C C 177.2 0.2 1 1271 . 139 ALA CA C 53 0.2 1 1272 . 139 ALA CB C 20.5 0.2 1 1273 . 139 ALA N N 123.5 0.2 1 1274 . 140 LEU H H 8.51 0.01 1 1275 . 140 LEU HA H 4.34 0.01 1 1276 . 140 LEU HB2 H 1.89 0.01 2 1277 . 140 LEU HB3 H 1.79 0.01 2 1278 . 140 LEU HG H 1.67 0.01 1 1279 . 140 LEU HD1 H 0.88 0.01 2 1280 . 140 LEU HD2 H 0.83 0.01 2 1281 . 140 LEU C C 177.8 0.2 1 1282 . 140 LEU CA C 53.8 0.2 1 1283 . 140 LEU CB C 44.2 0.2 1 1284 . 140 LEU CG C 27.3 0.2 1 1285 . 140 LEU CD1 C 24.6 0.2 2 1286 . 140 LEU CD2 C 23.5 0.2 2 1287 . 140 LEU N N 121 0.2 1 1288 . 141 ASN H H 9.01 0.01 1 1289 . 141 ASN HA H 4.59 0.01 1 1290 . 141 ASN HB2 H 2.99 0.01 2 1291 . 141 ASN HB3 H 2.96 0.01 2 1292 . 141 ASN HD21 H 7.32 0.01 2 1293 . 141 ASN HD22 H 6.59 0.01 2 1294 . 141 ASN C C 173.9 0.2 1 1295 . 141 ASN CA C 52 0.2 1 1296 . 141 ASN CB C 36 0.2 1 1297 . 141 ASN N N 125.4 0.2 1 1298 . 141 ASN ND2 N 107.3 0.2 1 1299 . 142 THR H H 7.71 0.01 1 1300 . 142 THR HA H 4.37 0.01 1 1301 . 142 THR HB H 4.14 0.01 1 1302 . 142 THR HG2 H 1.13 0.01 1 1303 . 142 THR CA C 57.8 0.2 1 1304 . 142 THR CB C 70.2 0.2 1 1305 . 142 THR CG2 C 21.1 0.2 1 1306 . 142 THR N N 115.2 0.2 1 1307 . 143 PRO HA H 4.34 0.01 1 1308 . 143 PRO HB2 H 2.31 0.01 2 1309 . 143 PRO HB3 H 1.89 0.01 2 1310 . 143 PRO HG2 H 2.03 0.01 1 1311 . 143 PRO HG3 H 2.03 0.01 1 1312 . 143 PRO HD2 H 3.82 0.01 2 1313 . 143 PRO HD3 H 3.64 0.01 2 1314 . 143 PRO C C 178.8 0.2 1 1315 . 143 PRO CA C 63.3 0.2 1 1316 . 143 PRO CB C 32 0.2 1 1317 . 143 PRO CG C 27.5 0.2 1 1318 . 143 PRO CD C 50.7 0.2 1 1319 . 144 LYS H H 8.9 0.01 1 1320 . 144 LYS HA H 4.34 0.01 1 1321 . 144 LYS HB2 H 1.37 0.01 2 1322 . 144 LYS HB3 H 1.15 0.01 2 1323 . 144 LYS HG2 H 0.79 0.01 1 1324 . 144 LYS HG3 H 0.79 0.01 1 1325 . 144 LYS HD2 H 1.58 0.01 1 1326 . 144 LYS HD3 H 1.58 0.01 1 1327 . 144 LYS HE2 H 3.22 0.01 1 1328 . 144 LYS HE3 H 3.22 0.01 1 1329 . 144 LYS C C 177.8 0.2 1 1330 . 144 LYS CA C 51.6 0.2 1 1331 . 144 LYS CB C 27.1 0.2 1 1332 . 144 LYS CG C 23.3 0.2 1 1333 . 144 LYS CD C 30.9 0.2 1 1334 . 144 LYS CE C 43.4 0.2 1 1335 . 144 LYS N N 120.5 0.2 1 1336 . 145 ASP H H 8.17 0.01 1 1337 . 145 ASP HA H 4.26 0.01 1 1338 . 145 ASP HB2 H 2.77 0.01 2 1339 . 145 ASP HB3 H 2.76 0.01 2 1340 . 145 ASP C C 176.5 0.2 1 1341 . 145 ASP CA C 57.1 0.2 1 1342 . 145 ASP CB C 40.7 0.2 1 1343 . 145 ASP N N 122.4 0.2 1 1344 . 146 HIS H H 8.76 0.01 1 1345 . 146 HIS HA H 4.48 0.01 1 1346 . 146 HIS HB2 H 3.18 0.01 2 1347 . 146 HIS HB3 H 3.03 0.01 2 1348 . 146 HIS C C 175.7 0.2 1 1349 . 146 HIS CA C 57.6 0.2 1 1350 . 146 HIS CB C 29.4 0.2 1 1351 . 146 HIS N N 114.9 0.2 1 1352 . 147 ILE H H 6.71 0.01 1 1353 . 147 ILE HA H 3.84 0.01 1 1354 . 147 ILE HB H 1.26 0.01 1 1355 . 147 ILE HG12 H 0.37 0.01 2 1356 . 147 ILE HG13 H 0.43 0.01 2 1357 . 147 ILE HG2 H 0.49 0.01 1 1358 . 147 ILE HD1 H 0.05 0.01 1 1359 . 147 ILE C C 178.3 0.2 1 1360 . 147 ILE CA C 62.8 0.2 1 1361 . 147 ILE CB C 39 0.2 1 1362 . 147 ILE CG1 C 27.3 0.2 1 1363 . 147 ILE CG2 C 17.4 0.2 1 1364 . 147 ILE CD1 C 11.3 0.2 1 1365 . 147 ILE N N 122.9 0.2 1 1366 . 148 GLY H H 7.78 0.01 1 1367 . 148 GLY HA2 H 4.14 0.01 1 1368 . 148 GLY HA3 H 4.14 0.01 1 1369 . 148 GLY C C 174.2 0.2 1 1370 . 148 GLY CA C 46.1 0.2 1 1371 . 148 GLY N N 105 0.2 1 1372 . 149 THR H H 8.41 0.01 1 1373 . 149 THR HA H 4.48 0.01 1 1374 . 149 THR HB H 4.31 0.01 1 1375 . 149 THR HG2 H 1.22 0.01 1 1376 . 149 THR C C 172.1 0.2 1 1377 . 149 THR CA C 60.1 0.2 1 1378 . 149 THR CB C 69.9 0.2 1 1379 . 149 THR CG2 C 21.2 0.2 1 1380 . 149 THR N N 112.6 0.2 1 1381 . 150 ARG H H 7.45 0.01 1 1382 . 150 ARG HA H 5.08 0.01 1 1383 . 150 ARG HB2 H 1.72 0.01 2 1384 . 150 ARG HB3 H 1.65 0.01 2 1385 . 150 ARG HG2 H 1.57 0.01 2 1386 . 150 ARG HG3 H 1.5 0.01 2 1387 . 150 ARG HD2 H 3.16 0.01 2 1388 . 150 ARG HD3 H 3.12 0.01 2 1389 . 150 ARG C C 174.5 0.2 1 1390 . 150 ARG CA C 55.1 0.2 1 1391 . 150 ARG CB C 32.6 0.2 1 1392 . 150 ARG CG C 27.4 0.2 1 1393 . 150 ARG CD C 43.7 0.2 1 1394 . 150 ARG N N 120.9 0.2 1 1395 . 151 ASN H H 8.8 0.01 1 1396 . 151 ASN HA H 5.12 0.01 1 1397 . 151 ASN HB2 H 3.24 0.01 2 1398 . 151 ASN HB3 H 2.74 0.01 2 1399 . 151 ASN HD21 H 7.69 0.01 2 1400 . 151 ASN HD22 H 7.19 0.01 2 1401 . 151 ASN CA C 49.2 0.2 1 1402 . 151 ASN CB C 38.5 0.2 1 1403 . 151 ASN N N 125.3 0.2 1 1404 . 151 ASN ND2 N 112.8 0.2 1 1405 . 152 PRO HA H 4.43 0.01 1 1406 . 152 PRO HB2 H 2.31 0.01 2 1407 . 152 PRO HB3 H 1.9 0.01 2 1408 . 152 PRO HG2 H 2.04 0.01 1 1409 . 152 PRO HG3 H 2.04 0.01 1 1410 . 152 PRO HD2 H 3.64 0.01 2 1411 . 152 PRO HD3 H 3.81 0.01 2 1412 . 152 PRO C C 176.9 0.2 1 1413 . 152 PRO CA C 63.3 0.2 1 1414 . 152 PRO CB C 32.1 0.2 1 1415 . 152 PRO CG C 27.5 0.2 1 1416 . 152 PRO CD C 50.6 0.2 1 1417 . 153 ASN H H 8.08 0.01 1 1418 . 153 ASN HA H 4.47 0.01 1 1419 . 153 ASN HB2 H 2.73 0.01 2 1420 . 153 ASN HB3 H 2.6 0.01 2 1421 . 153 ASN HD21 H 7.66 0.01 2 1422 . 153 ASN HD22 H 7 0.01 2 1423 . 153 ASN C C 175.3 0.2 1 1424 . 153 ASN CA C 54.9 0.2 1 1425 . 153 ASN CB C 38.5 0.2 1 1426 . 153 ASN N N 115.1 0.2 1 1427 . 153 ASN ND2 N 115.2 0.2 1 1428 . 154 ASN H H 7.81 0.01 1 1429 . 154 ASN HA H 4.57 0.01 1 1430 . 154 ASN HB2 H 2.88 0.01 2 1431 . 154 ASN HB3 H 2.75 0.01 2 1432 . 154 ASN HD21 H 7.58 0.01 2 1433 . 154 ASN HD22 H 6.88 0.01 2 1434 . 154 ASN C C 174.9 0.2 1 1435 . 154 ASN CA C 53.5 0.2 1 1436 . 154 ASN CB C 40.7 0.2 1 1437 . 154 ASN N N 116.1 0.2 1 1438 . 154 ASN ND2 N 111.6 0.2 1 1439 . 155 ASN H H 7.77 0.01 1 1440 . 155 ASN HA H 4.72 0.01 1 1441 . 155 ASN HB2 H 2.88 0.01 2 1442 . 155 ASN HB3 H 2.8 0.01 2 1443 . 155 ASN HD21 H 7.93 0.01 2 1444 . 155 ASN HD22 H 7.11 0.01 2 1445 . 155 ASN C C 173.5 0.2 1 1446 . 155 ASN CA C 53.6 0.2 1 1447 . 155 ASN CB C 43.6 0.2 1 1448 . 155 ASN N N 116.6 0.2 1 1449 . 155 ASN ND2 N 113.4 0.2 1 1450 . 156 ALA H H 8.7 0.01 1 1451 . 156 ALA HA H 4.41 0.01 1 1452 . 156 ALA HB H 1.48 0.01 1 1453 . 156 ALA C C 177.5 0.2 1 1454 . 156 ALA CA C 51.5 0.2 1 1455 . 156 ALA CB C 19.6 0.2 1 1456 . 156 ALA N N 126.9 0.2 1 1457 . 157 ALA H H 8.68 0.01 1 1458 . 157 ALA HA H 4.35 0.01 1 1459 . 157 ALA HB H 1.39 0.01 1 1460 . 157 ALA C C 178 0.2 1 1461 . 157 ALA CA C 52.8 0.2 1 1462 . 157 ALA CB C 19.1 0.2 1 1463 . 157 ALA N N 123.9 0.2 1 1464 . 158 THR H H 8.88 0.01 1 1465 . 158 THR HA H 4.35 0.01 1 1466 . 158 THR HB H 4.3 0.01 1 1467 . 158 THR HG2 H 1.22 0.01 1 1468 . 158 THR C C 174.3 0.2 1 1469 . 158 THR CA C 62.3 0.2 1 1470 . 158 THR CB C 69.8 0.2 1 1471 . 158 THR CG2 C 21.3 0.2 1 1472 . 158 THR N N 120.8 0.2 1 1473 . 159 VAL H H 8.78 0.01 1 1474 . 159 VAL HA H 4.45 0.01 1 1475 . 159 VAL HB H 1.96 0.01 1 1476 . 159 VAL HG1 H 1.12 0.01 2 1477 . 159 VAL HG2 H 0.88 0.01 2 1478 . 159 VAL C C 176.9 0.2 1 1479 . 159 VAL CA C 64.1 0.2 1 1480 . 159 VAL CB C 31.6 0.2 1 1481 . 159 VAL CG1 C 22.4 0.2 2 1482 . 159 VAL CG2 C 20.7 0.2 2 1483 . 159 VAL N N 128.5 0.2 1 1484 . 160 LEU H H 8 0.01 1 1485 . 160 LEU HA H 3.93 0.01 1 1486 . 160 LEU HB2 H 2.13 0.01 2 1487 . 160 LEU HB3 H 1.51 0.01 2 1488 . 160 LEU HG H 1.2 0.01 1 1489 . 160 LEU HD1 H 1.08 0.01 2 1490 . 160 LEU HD2 H 0.69 0.01 2 1491 . 160 LEU C C 175 0.2 1 1492 . 160 LEU CA C 58.5 0.2 1 1493 . 160 LEU CB C 41.7 0.2 1 1494 . 160 LEU CG C 29.4 0.2 1 1495 . 160 LEU CD1 C 26.2 0.2 2 1496 . 160 LEU CD2 C 24.6 0.2 2 1497 . 160 LEU N N 132.8 0.2 1 1498 . 161 GLN H H 9.03 0.01 1 1499 . 161 GLN HA H 4.51 0.01 1 1500 . 161 GLN HB2 H 1.86 0.01 2 1501 . 161 GLN HB3 H 1.96 0.01 2 1502 . 161 GLN HG2 H 2.23 0.01 2 1503 . 161 GLN HG3 H 2.31 0.01 2 1504 . 161 GLN C C 173.6 0.2 1 1505 . 161 GLN CA C 54.5 0.2 1 1506 . 161 GLN CB C 32.5 0.2 1 1507 . 161 GLN CG C 34.1 0.2 1 1508 . 161 GLN N N 129 0.2 1 1509 . 161 GLN NE2 N 112.8 0.2 1 1510 . 162 LEU H H 8.54 0.01 1 1511 . 162 LEU HA H 4.67 0.01 1 1512 . 162 LEU HB2 H 1.46 0.01 1 1513 . 162 LEU HB3 H 1.46 0.01 1 1514 . 162 LEU HG H 1.32 0.01 1 1515 . 162 LEU HD1 H 0.76 0.01 2 1516 . 162 LEU HD2 H 0.34 0.01 2 1517 . 162 LEU CA C 51.6 0.2 1 1518 . 162 LEU CB C 41.1 0.2 1 1519 . 162 LEU CG C 26.8 0.2 1 1520 . 162 LEU CD1 C 25.8 0.2 2 1521 . 162 LEU CD2 C 22.4 0.2 2 1522 . 162 LEU N N 124.2 0.2 1 1523 . 164 GLN HA H 4.08 0.01 5 1524 . 164 GLN HB2 H 2.05 0.01 5 1525 . 164 GLN HB3 H 2.05 0.01 5 1526 . 164 GLN CA C 57.8 0.2 5 1527 . 164 GLN CB C 28.4 0.2 5 1528 . 164 GLN CG C 33.8 0.2 5 1529 . 164 GLN NE2 N 113.3 0.2 5 1530 . 165 GLY HA2 H 3.65 0.01 1 1531 . 165 GLY HA3 H 4.24 0.01 1 1532 . 165 GLY CA C 45.0 0.2 1 1533 . 166 THR H H 7.82 0.01 1 1534 . 166 THR HA H 4.28 0.01 1 1535 . 166 THR HB H 4.03 0.01 1 1536 . 166 THR HG2 H 1.21 0.01 1 1537 . 166 THR C C 173.9 0.2 1 1538 . 166 THR CA C 63.1 0.2 1 1539 . 166 THR CB C 69.7 0.2 1 1540 . 166 THR CG2 C 22.1 0.2 1 1541 . 166 THR N N 117.9 0.2 1 1542 . 167 THR H H 8.91 0.01 1 1543 . 167 THR HA H 4.03 0.01 1 1544 . 167 THR HB H 4.38 0.01 1 1545 . 167 THR HG2 H 1.15 0.01 1 1546 . 167 THR C C 173.4 0.2 1 1547 . 167 THR CA C 61.6 0.2 1 1548 . 167 THR CB C 70.1 0.2 1 1549 . 167 THR CG2 C 21.4 0.2 1 1550 . 167 THR N N 123.8 0.2 1 1551 . 168 LEU H H 8.42 0.01 1 1552 . 168 LEU HA H 4.36 0.01 1 1553 . 168 LEU HB2 H 1.55 0.01 2 1554 . 168 LEU HB3 H 1.36 0.01 2 1555 . 168 LEU HG H 1.6 0.01 1 1556 . 168 LEU HD1 H 0.7 0.01 2 1557 . 168 LEU HD2 H 0.79 0.01 2 1558 . 168 LEU CA C 52.6 0.2 1 1559 . 168 LEU CB C 42.6 0.2 1 1560 . 168 LEU CG C 27.1 0.2 1 1561 . 168 LEU CD1 C 25 0.2 2 1562 . 168 LEU CD2 C 25.6 0.2 2 1563 . 168 LEU N N 127.9 0.2 1 1564 . 169 PRO HA H 4.31 0.01 1 1565 . 169 PRO HB2 H 1.35 0.01 1 1566 . 169 PRO HB3 H 1.35 0.01 1 1567 . 169 PRO C C 176.1 0.2 1 1568 . 169 PRO CA C 62.3 0.2 1 1569 . 169 PRO CB C 31.1 0.2 1 1570 . 169 PRO CG C 28.9 0.2 1 1571 . 170 LYS H H 8.35 0.01 1 1572 . 170 LYS HA H 4.06 0.01 1 1573 . 170 LYS HB2 H 1.82 0.01 2 1574 . 170 LYS HB3 H 1.77 0.01 2 1575 . 170 LYS HG2 H 1.55 0.01 2 1576 . 170 LYS HG3 H 1.45 0.01 2 1577 . 170 LYS HD2 H 1.73 0.01 1 1578 . 170 LYS HD3 H 1.73 0.01 1 1579 . 170 LYS HE2 H 3.04 0.01 1 1580 . 170 LYS HE3 H 3.04 0.01 1 1581 . 170 LYS C C 177.7 0.2 1 1582 . 170 LYS CA C 58.1 0.2 1 1583 . 170 LYS CB C 32.5 0.2 1 1584 . 170 LYS CG C 24.9 0.2 1 1585 . 170 LYS CD C 29.2 0.2 1 1586 . 170 LYS CE C 42.3 0.2 1 1587 . 170 LYS N N 122.6 0.2 1 1588 . 171 GLY H H 8.73 0.01 1 1589 . 171 GLY HA2 H 4.06 0.01 2 1590 . 171 GLY HA3 H 3.53 0.01 2 1591 . 171 GLY C C 173.7 0.2 1 1592 . 171 GLY CA C 45.3 0.2 1 1593 . 171 GLY N N 111.3 0.2 1 1594 . 172 PHE H H 7.52 0.01 1 1595 . 172 PHE HA H 5.31 0.01 1 1596 . 172 PHE HB2 H 2.83 0.01 2 1597 . 172 PHE HB3 H 2.49 0.01 2 1598 . 172 PHE C C 175.3 0.2 1 1599 . 172 PHE CA C 57.5 0.2 1 1600 . 172 PHE CB C 42.2 0.2 1 1601 . 172 PHE N N 117.9 0.2 1 1602 . 173 TYR H H 8.66 0.01 1 1603 . 173 TYR HA H 4.77 0.01 1 1604 . 173 TYR HB2 H 1.83 0.01 2 1605 . 173 TYR HB3 H 1.95 0.01 2 1606 . 173 TYR C C 173.7 0.2 1 1607 . 173 TYR CA C 56.7 0.2 1 1608 . 173 TYR CB C 41.6 0.2 1 1609 . 173 TYR N N 119.1 0.2 1 1610 . 174 ALA H H 8.77 0.01 1 1611 . 174 ALA HA H 4.77 0.01 1 1612 . 174 ALA HB H 1.39 0.01 1 1613 . 174 ALA C C 177.4 0.2 1 1614 . 174 ALA CA C 51.8 0.2 1 1615 . 174 ALA CB C 19.6 0.2 1 1616 . 174 ALA N N 127.1 0.2 1 1617 . 175 GLU H H 8.95 0.01 1 1618 . 175 GLU HA H 4.28 0.01 1 1619 . 175 GLU HB2 H 2.24 0.01 2 1620 . 175 GLU HB3 H 2.14 0.01 2 1621 . 175 GLU C C 177.3 0.2 1 1622 . 175 GLU CA C 57.7 0.2 1 1623 . 175 GLU CB C 30.2 0.2 1 1624 . 175 GLU CG C 36.5 0.2 1 1625 . 175 GLU N N 125.8 0.2 1 1626 . 176 GLY H H 8.77 0.01 1 1627 . 176 GLY HA2 H 4.25 0.01 1 1628 . 176 GLY HA3 H 4.25 0.01 1 1629 . 176 GLY C C 174.6 0.2 1 1630 . 176 GLY CA C 45.3 0.2 1 1631 . 176 GLY N N 111.5 0.2 1 1632 . 177 SER H H 8.16 0.01 1 1633 . 177 SER HA H 4.43 0.01 1 1634 . 177 SER HB2 H 3.97 0.01 2 1635 . 177 SER HB3 H 3.86 0.01 2 1636 . 177 SER C C 174.8 0.2 1 1637 . 177 SER CA C 59 0.2 1 1638 . 177 SER CB C 64.3 0.2 1 1639 . 177 SER N N 115.6 0.2 1 1640 . 178 ARG H H 8.49 0.01 1 1641 . 178 ARG HA H 4.48 0.01 1 1642 . 178 ARG HB2 H 1.99 0.01 2 1643 . 178 ARG HB3 H 1.8 0.01 2 1644 . 178 ARG HG2 H 1.67 0.01 1 1645 . 178 ARG HG3 H 1.67 0.01 1 1646 . 178 ARG HD2 H 3.21 0.01 1 1647 . 178 ARG HD3 H 3.21 0.01 1 1648 . 178 ARG CA C 56.2 0.2 1 1649 . 178 ARG CB C 30.9 0.2 1 1650 . 178 ARG CG C 27.1 0.2 1 1651 . 178 ARG CD C 43.4 0.2 1 1652 . 178 ARG N N 123.6 0.2 1 1653 . 179 GLY H H 8 0.01 1 1654 . 179 GLY HA2 H 3.8 0.01 2 1655 . 179 GLY HA3 H 3.78 0.01 2 1656 . 179 GLY CA C 46.3 0.2 1 1657 . 179 GLY N N 116.8 0.2 1 stop_ save_