data_7291 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment and Secondary Structure of Coxsackievirus and Adenovirus receptor Domain ; _BMRB_accession_number 7291 _BMRB_flat_file_name bmr7291.str _Entry_type original _Submission_date 2006-09-07 _Accession_date 2006-09-07 _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 Jiang Shaokai . . 2 Caffrey Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 490 "13C chemical shifts" 338 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-04-26 original author . stop_ _Original_release_date 2007-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the coxsackievirus and adenovirus receptor domain 2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17322536 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Shaokai . . 2 Caffrey Michael . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 16 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 539 _Page_last 542 _Year 2007 _Details . loop_ _Keyword Adenovirus CAR Coxsackievirus 'NMR assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_CAR _Saveframe_category molecular_system _Mol_system_name 'Coxsackievirus and Adenovirus receptor' _Abbreviation_common CAR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CAR-d2 $CAR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CAR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Coxsackievirus and Adenovirus receptor' _Abbreviation_common CAR _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSSGARCYVDGSEEIGSDFK IKCEPKEGSLPLQYEWQKLS DSQKMPTSWLAEMTSSVISV KNASSEYSGTYSCTVRNRVG SDQCLLRLNVVPPSNK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 ALA 6 ARG 7 CYS 8 TYR 9 VAL 10 ASP 11 GLY 12 SER 13 GLU 14 GLU 15 ILE 16 GLY 17 SER 18 ASP 19 PHE 20 LYS 21 ILE 22 LYS 23 CYS 24 GLU 25 PRO 26 LYS 27 GLU 28 GLY 29 SER 30 LEU 31 PRO 32 LEU 33 GLN 34 TYR 35 GLU 36 TRP 37 GLN 38 LYS 39 LEU 40 SER 41 ASP 42 SER 43 GLN 44 LYS 45 MET 46 PRO 47 THR 48 SER 49 TRP 50 LEU 51 ALA 52 GLU 53 MET 54 THR 55 SER 56 SER 57 VAL 58 ILE 59 SER 60 VAL 61 LYS 62 ASN 63 ALA 64 SER 65 SER 66 GLU 67 TYR 68 SER 69 GLY 70 THR 71 TYR 72 SER 73 CYS 74 THR 75 VAL 76 ARG 77 ASN 78 ARG 79 VAL 80 GLY 81 SER 82 ASP 83 GLN 84 CYS 85 LEU 86 LEU 87 ARG 88 LEU 89 ASN 90 VAL 91 VAL 92 PRO 93 PRO 94 SER 95 ASN 96 LYS 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 2NPL "Nmr Structure Of Card D2 Domain" 100.00 96 100.00 100.00 1.41e-62 DBJ BAG36305 "unnamed protein product [Homo sapiens]" 97.92 365 100.00 100.00 7.44e-59 EMBL CAA68868 "coxsackie and adenovirus receptor protein [Homo sapiens]" 97.92 365 100.00 100.00 7.44e-59 EMBL CAH92396 "hypothetical protein [Pongo abelii]" 97.92 365 100.00 100.00 7.44e-59 GB AAC51234 "cell surface protein HCAR [Homo sapiens]" 97.92 365 100.00 100.00 7.44e-59 GB AAD31772 "coxsackie and adenovirus receptor protein [Homo sapiens]" 97.92 344 100.00 100.00 6.62e-59 GB AAF05908 "coxsackievirus B-adenovirus receptor [Homo sapiens]" 97.92 365 100.00 100.00 7.44e-59 GB AAF24344 "coxsackievirus and adenovirus receptor [Homo sapiens]" 97.92 365 100.00 100.00 7.44e-59 GB AAG01088 "coxsackie virus and adenovirus receptor [Homo sapiens]" 97.92 365 100.00 100.00 7.44e-59 REF NP_001127547 "coxsackievirus and adenovirus receptor homolog precursor [Pongo abelii]" 97.92 365 100.00 100.00 7.44e-59 REF NP_001193992 "coxsackievirus and adenovirus receptor isoform 2 precursor [Homo sapiens]" 51.04 252 100.00 100.00 1.24e-25 REF NP_001193995 "coxsackievirus and adenovirus receptor isoform 5 precursor [Homo sapiens]" 97.92 352 100.00 100.00 8.37e-59 REF NP_001329 "coxsackievirus and adenovirus receptor isoform 1 precursor [Homo sapiens]" 97.92 365 100.00 100.00 7.44e-59 REF XP_001156087 "PREDICTED: coxsackievirus and adenovirus receptor isoform X2 [Pan troglodytes]" 97.92 352 100.00 100.00 8.37e-59 SP P78310 "RecName: Full=Coxsackievirus and adenovirus receptor; Short=CAR; Short=hCAR; AltName: Full=CVB3-binding protein; AltName: Full=" 97.92 365 100.00 100.00 7.44e-59 SP Q5R764 "RecName: Full=Coxsackievirus and adenovirus receptor homolog; Short=CAR; Flags: Precursor [Pongo abelii]" 97.92 365 100.00 100.00 7.44e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CAR Human 9606 Eukaryota Metazoa Homo sapien 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 $CAR 'recombinant technology' . . . . . 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 $CAR . mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N-HSQC-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-TOCSY _Sample_label . save_ save_15N-HSQC-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _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 HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 pH 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 H2O H 1 protons ppm 4.774 internal direct spherical internal perpendicular 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CAR-d2 _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 H H 8.53 0.02 1 2 . 2 SER HA H 4.75 0.02 1 3 . 2 SER HB2 H 4.45 0.02 1 4 . 2 SER HB3 H 4.45 0.02 1 5 . 2 SER C C 174.68 0.20 1 6 . 2 SER CA C 58.43 0.20 1 7 . 2 SER CB C 64.00 0.20 1 8 . 2 SER N N 118.03 0.05 1 9 . 3 SER H H 8.53 0.02 1 10 . 3 SER HA H 4.75 0.02 1 11 . 3 SER HB2 H 4.58 0.02 1 12 . 3 SER HB3 H 4.58 0.02 1 13 . 3 SER C C 174.43 0.20 1 14 . 3 SER CA C 58.43 0.20 1 15 . 3 SER CB C 64.00 0.20 1 16 . 3 SER N N 174.43 0.05 1 17 . 4 GLY H H 8.22 0.02 1 18 . 4 GLY HA2 H 4.75 0.02 2 19 . 4 GLY HA3 H 4.01 0.02 2 20 . 4 GLY C C 172.80 0.20 1 21 . 4 GLY CA C 45.12 0.20 1 22 . 4 GLY N N 110.16 0.05 1 23 . 5 ALA H H 8.06 0.02 1 24 . 5 ALA HA H 4.50 0.02 1 25 . 5 ALA HB H 0.97 0.02 1 26 . 5 ALA C C 176.50 0.20 1 27 . 5 ALA CA C 51.87 0.20 1 28 . 5 ALA CB C 19.23 0.20 1 29 . 5 ALA N N 123.04 0.05 1 30 . 6 ARG H H 8.81 0.02 1 31 . 6 ARG HA H 4.71 0.02 1 32 . 6 ARG HB2 H 1.83 0.02 2 33 . 6 ARG HB3 H 1.70 0.02 2 34 . 6 ARG HD2 H 3.11 0.02 2 35 . 6 ARG HD3 H 3.02 0.02 2 36 . 6 ARG CA C 55.18 0.20 1 37 . 6 ARG CB C 33.53 0.20 1 38 . 6 ARG CD C 43.50 0.20 1 39 . 7 CYS H H 8.36 0.02 9 40 . 7 CYS C C 173.68 0.20 9 41 . 7 CYS CA C 55.33 0.20 9 42 . 7 CYS CB C 43.37 0.20 9 43 . 8 TYR H H 9.00 0.02 1 44 . 8 TYR HA H 4.88 0.02 1 45 . 8 TYR HB2 H 3.15 0.02 2 46 . 8 TYR HB3 H 2.89 0.02 2 47 . 8 TYR HD1 H 7.00 0.02 1 48 . 8 TYR HD2 H 7.00 0.02 1 49 . 8 TYR HE1 H 6.65 0.02 1 50 . 8 TYR HE2 H 6.65 0.02 1 51 . 8 TYR C C 171.42 0.20 1 52 . 8 TYR CA C 56.58 0.20 1 53 . 8 TYR CB C 38.92 0.20 1 54 . 8 TYR CD1 C 133.20 0.20 1 55 . 8 TYR CD2 C 133.20 0.20 1 56 . 8 TYR CE1 C 118.20 0.20 1 57 . 8 TYR CE2 C 118.20 0.20 1 58 . 8 TYR N N 119.67 0.05 1 59 . 9 VAL H H 8.44 0.02 1 60 . 9 VAL HA H 4.54 0.02 1 61 . 9 VAL HB H 1.81 0.02 1 62 . 9 VAL HG1 H 0.71 0.02 2 63 . 9 VAL HG2 H 0.44 0.02 2 64 . 9 VAL C C 175.35 0.20 1 65 . 9 VAL CA C 61.01 0.20 1 66 . 9 VAL CB C 34.00 0.20 1 67 . 9 VAL CG1 C 21.26 0.20 1 68 . 9 VAL CG2 C 21.26 0.20 1 69 . 9 VAL N N 119.02 0.05 1 70 . 10 ASP H H 9.15 0.02 1 71 . 10 ASP HA H 5.01 0.02 1 72 . 10 ASP HB2 H 2.74 0.02 2 73 . 10 ASP HB3 H 2.29 0.02 2 74 . 10 ASP C C 175.18 0.20 1 75 . 10 ASP CA C 52.69 0.20 1 76 . 10 ASP CB C 42.50 0.20 1 77 . 10 ASP N N 128.30 0.05 1 78 . 11 GLY H H 8.40 0.02 1 79 . 11 GLY HA2 H 4.65 0.02 2 80 . 11 GLY HA3 H 3.85 0.02 2 81 . 11 GLY C C 171.92 0.20 1 82 . 11 GLY CA C 43.58 0.20 1 83 . 11 GLY N N 115.15 0.05 1 84 . 12 SER H H 8.50 0.02 1 85 . 12 SER HA H 4.34 0.02 1 86 . 12 SER HB2 H 3.79 0.02 2 87 . 12 SER HB3 H 3.66 0.02 2 88 . 12 SER C C 174.50 0.20 1 89 . 12 SER CA C 57.60 0.20 1 90 . 12 SER CB C 64.00 0.20 1 91 . 12 SER N N 114.70 0.05 1 92 . 13 GLU H H 8.47 0.02 1 93 . 13 GLU HA H 3.46 0.02 1 94 . 13 GLU HB2 H 1.61 0.02 2 95 . 13 GLU HB3 H 1.41 0.02 2 96 . 13 GLU HG2 H 1.51 0.02 1 97 . 13 GLU HG3 H 1.51 0.02 1 98 . 13 GLU C C 174.54 0.20 1 99 . 13 GLU CA C 54.70 0.20 1 100 . 13 GLU CB C 28.37 0.20 1 101 . 13 GLU CG C 35.65 0.20 1 102 . 13 GLU N N 125.57 0.05 1 103 . 14 GLU H H 7.38 0.02 1 104 . 14 GLU HA H 5.31 0.02 1 105 . 14 GLU HB2 H 1.66 0.02 2 106 . 14 GLU HB3 H 1.58 0.02 2 107 . 14 GLU HG2 H 2.05 0.02 2 108 . 14 GLU HG3 H 1.98 0.02 2 109 . 14 GLU C C 176.88 0.20 1 110 . 14 GLU CA C 53.49 0.20 1 111 . 14 GLU CB C 33.30 0.20 1 112 . 14 GLU CG C 36.97 0.20 1 113 . 14 GLU N N 120.48 0.05 1 114 . 15 ILE H H 8.26 0.02 1 115 . 15 ILE HA H 3.40 0.02 1 116 . 15 ILE HB H 1.50 0.02 1 117 . 15 ILE HG12 H 1.25 0.02 1 118 . 15 ILE HG13 H 1.25 0.02 1 119 . 15 ILE HG2 H 0.88 0.02 1 120 . 15 ILE HD1 H 0.79 0.02 1 121 . 15 ILE C C 177.80 0.20 1 122 . 15 ILE CA C 62.93 0.20 1 123 . 15 ILE CB C 38.69 0.20 1 124 . 15 ILE CG1 C 22.20 0.20 1 125 . 15 ILE CG2 C 16.73 0.20 1 126 . 15 ILE CD1 C 13.45 0.20 1 127 . 15 ILE N N 117.46 0.05 1 128 . 16 GLY H H 9.77 0.02 1 129 . 16 GLY HA2 H 4.24 0.02 2 130 . 16 GLY HA3 H 3.97 0.02 2 131 . 16 GLY C C 174.30 0.20 1 132 . 16 GLY CA C 44.52 0.02 1 133 . 16 GLY N N 117.46 0.05 1 134 . 17 SER H H 8.17 0.02 1 135 . 17 SER HA H 4.65 0.02 1 136 . 17 SER HB2 H 4.07 0.02 1 137 . 17 SER HB3 H 4.07 0.02 1 138 . 17 SER C C 171.85 0.20 1 139 . 17 SER CA C 58.25 0.20 1 140 . 17 SER CB C 65.64 0.20 1 141 . 17 SER N N 117.90 0.05 1 142 . 18 ASP H H 8.21 0.02 1 143 . 18 ASP HA H 5.34 0.02 1 144 . 18 ASP HB2 H 2.67 0.02 2 145 . 18 ASP HB3 H 2.56 0.02 2 146 . 18 ASP C C 176.00 0.20 1 147 . 18 ASP CA C 52.00 0.20 1 148 . 18 ASP CB C 41.50 0.20 1 149 . 18 ASP N N 119.76 0.05 1 150 . 19 PHE H H 8.21 0.02 1 151 . 19 PHE HA H 5.34 0.02 1 152 . 19 PHE HB2 H 2.73 0.02 2 153 . 19 PHE HB3 H 2.42 0.02 2 154 . 19 PHE HD1 H 7.63 0.02 1 155 . 19 PHE HD2 H 7.63 0.02 1 156 . 19 PHE HE1 H 6.69 0.02 1 157 . 19 PHE HE2 H 6.69 0.02 1 158 . 19 PHE C C 172.18 0.20 1 159 . 19 PHE CA C 56.30 0.20 1 160 . 19 PHE CB C 39.39 0.20 1 161 . 20 LYS H H 8.39 0.02 1 162 . 20 LYS HA H 5.14 0.02 1 163 . 20 LYS HB2 H 1.53 0.02 2 164 . 20 LYS HB3 H 1.38 0.02 2 165 . 20 LYS HG2 H 1.72 0.02 1 166 . 20 LYS HG3 H 1.72 0.02 1 167 . 20 LYS HD2 H 1.38 0.02 2 168 . 20 LYS HD3 H 1.30 0.02 2 169 . 20 LYS HE2 H 3.16 0.02 2 170 . 20 LYS HE3 H 2.82 0.02 2 171 . 20 LYS C C 174.92 0.20 1 172 . 20 LYS CA C 54.15 0.20 1 173 . 20 LYS CB C 36.11 0.20 1 174 . 20 LYS CD C 27.67 0.20 1 175 . 20 LYS CE C 42.98 0.20 1 176 . 21 ILE H H 8.73 0.02 1 177 . 21 ILE HA H 4.24 0.02 1 178 . 21 ILE HB H 1.02 0.02 1 179 . 21 ILE HG12 H 0.89 0.02 1 180 . 21 ILE HG13 H 0.89 0.02 1 181 . 21 ILE HG2 H 0.25 0.02 1 182 . 21 ILE HD1 H -.46 0.02 1 183 . 21 ILE C C 174.05 0.20 1 184 . 21 ILE CA C 60.73 0.20 1 185 . 21 ILE CB C 38.69 0.20 1 186 . 21 ILE CG1 C 16.73 0.20 1 187 . 21 ILE CG2 C 19.21 0.20 1 188 . 21 ILE CD1 C 13.64 0.20 1 189 . 21 ILE N N 122.22 0.05 1 190 . 22 LYS H H 8.67 0.02 1 191 . 22 LYS HA H 5.09 0.02 1 192 . 22 LYS HB2 H 1.20 0.02 1 193 . 22 LYS HB3 H 1.20 0.02 1 194 . 22 LYS HG2 H 0.94 0.02 1 195 . 22 LYS HG3 H 0.94 0.02 1 196 . 22 LYS HD2 H 1.44 0.02 1 197 . 22 LYS HD3 H 1.44 0.02 1 198 . 22 LYS HE2 H 2.76 0.02 2 199 . 22 LYS HE3 H 2.61 0.02 2 200 . 22 LYS C C 173.50 0.20 1 201 . 22 LYS CA C 55.43 0.20 1 202 . 22 LYS CB C 35.64 0.20 1 203 . 22 LYS CG C 27.67 0.20 1 204 . 22 LYS CD C 25.00 0.20 1 205 . 22 LYS CE C 41.00 0.20 1 206 . 23 CYS H H 8.50 0.02 1 207 . 23 CYS HA H 5.27 0.02 1 208 . 23 CYS HB2 H 3.10 0.02 1 209 . 23 CYS HB3 H 3.10 0.02 1 210 . 23 CYS C C 172.92 0.20 1 211 . 23 CYS CA C 53.13 0.20 1 212 . 23 CYS CB C 43.15 0.20 1 213 . 23 CYS N N 122.19 0.05 1 214 . 24 GLU H H 9.45 0.02 1 215 . 24 GLU HA H 5.10 0.02 1 216 . 24 GLU HB2 H 2.21 0.02 2 217 . 24 GLU HB3 H 1.95 0.02 2 218 . 24 GLU HG2 H 2.33 0.02 1 219 . 24 GLU HG3 H 2.33 0.02 1 220 . 24 GLU CA C 52.33 0.20 1 221 . 24 GLU CB C 32.59 0.20 1 222 . 24 GLU CG C 36.45 0.20 1 223 . 24 GLU N N 125.99 0.05 1 224 . 25 PRO HA H 4.54 0.02 1 225 . 25 PRO HB2 H 2.02 0.02 1 226 . 25 PRO HB3 H 2.02 0.02 1 227 . 25 PRO HG2 H 2.25 0.02 1 228 . 25 PRO HG3 H 2.25 0.02 1 229 . 25 PRO HD2 H 3.80 0.02 1 230 . 25 PRO HD3 H 3.80 0.02 1 231 . 25 PRO C C 176.30 0.20 1 232 . 25 PRO CA C 61.66 0.20 1 233 . 25 PRO CB C 33.30 0.20 1 234 . 25 PRO CD C 50.60 0.20 1 235 . 26 LYS H H 8.69 0.02 1 236 . 26 LYS HA H 3.98 0.02 1 237 . 26 LYS HB2 H 1.60 0.02 2 238 . 26 LYS HB3 H 1.52 0.02 2 239 . 26 LYS HG2 H 1.38 0.02 1 240 . 26 LYS HG3 H 1.38 0.02 1 241 . 26 LYS HD2 H 1.24 0.02 1 242 . 26 LYS HD3 H 1.24 0.02 1 243 . 26 LYS HE2 H 2.89 0.02 1 244 . 26 LYS HE3 H 2.89 0.02 1 245 . 26 LYS C C 176.70 0.20 1 246 . 26 LYS CA C 56.74 0.20 1 247 . 26 LYS CB C 33.30 0.20 1 248 . 26 LYS CG C 24.95 0.20 1 249 . 26 LYS CD C 29.31 0.20 1 250 . 26 LYS CE C 41.89 0.20 1 251 . 26 LYS N N 121.24 0.05 1 252 . 27 GLU H H 8.51 0.02 1 253 . 27 GLU HA H 4.11 0.02 1 254 . 27 GLU HB2 H 1.90 0.02 1 255 . 27 GLU HB3 H 1.60 0.02 1 256 . 27 GLU HG2 H 2.22 0.02 1 257 . 27 GLU HG3 H 2.22 0.02 1 258 . 27 GLU C C 177.10 0.20 1 259 . 27 GLU CA C 57.72 0.20 1 260 . 27 GLU CB C 29.78 0.20 1 261 . 27 GLU CG C 36.10 0.20 1 262 . 27 GLU N N 125.29 0.05 1 263 . 28 GLY H H 8.75 0.02 1 264 . 28 GLY HA2 H 4.15 0.02 2 265 . 28 GLY HA3 H 3.78 0.02 2 266 . 28 GLY C C 174.30 0.20 1 267 . 28 GLY CA C 45.30 0.20 1 268 . 28 GLY N N 113.14 0.05 1 269 . 29 SER H H 7.91 0.02 1 270 . 29 SER HA H 4.41 0.02 1 271 . 29 SER HB2 H 3.80 0.02 2 272 . 29 SER HB3 H 3.66 0.02 2 273 . 29 SER C C 173.30 0.20 1 274 . 29 SER CA C 58.31 0.20 1 275 . 29 SER CB C 64.47 0.20 1 276 . 29 SER N N 115.68 0.05 1 277 . 30 LEU H H 8.31 0.02 1 278 . 30 LEU HA H 4.71 0.02 1 279 . 30 LEU HB2 H 1.53 0.02 1 280 . 30 LEU HB3 H 1.53 0.02 1 281 . 30 LEU HG H 1.58 0.02 1 282 . 30 LEU HD1 H 0.85 0.02 2 283 . 30 LEU HD2 H 0.83 0.02 1 284 . 30 LEU CA C 52.33 0.20 1 285 . 30 LEU CB C 41.73 0.20 1 286 . 30 LEU CG C 27.00 0.20 1 287 . 30 LEU CD1 C 24.80 0.20 1 288 . 30 LEU CD2 C 24.80 0.20 1 289 . 30 LEU N N 124.14 0.05 1 290 . 31 PRO HA H 4.32 0.02 1 291 . 31 PRO HB2 H 2.23 0.02 1 292 . 31 PRO HB3 H 2.23 0.02 1 293 . 31 PRO HG2 H 2.00 0.02 2 294 . 31 PRO HG3 H 1.92 0.02 2 295 . 31 PRO HD2 H 3.76 0.02 2 296 . 31 PRO HD3 H 3.69 0.02 2 297 . 31 PRO C C 117.05 0.20 1 298 . 31 PRO CA C 62.90 0.20 1 299 . 31 PRO CB C 32.42 0.20 1 300 . 31 PRO CD C 50.76 0.20 1 301 . 32 LEU H H 8.90 0.02 1 302 . 32 LEU HA H 4.53 0.02 1 303 . 32 LEU HB2 H 1.82 0.02 2 304 . 32 LEU HB3 H 1.72 0.02 2 305 . 32 LEU HG H 1.54 0.02 1 306 . 32 LEU HD1 H 0.83 0.02 2 307 . 32 LEU HD2 H 0.81 0.02 2 308 . 32 LEU C C 177.30 0.20 1 309 . 32 LEU CA C 55.03 0.20 1 310 . 32 LEU CB C 43.90 0.20 1 311 . 32 LEU N N 121.60 0.05 1 312 . 33 GLN H H 7.56 0.02 1 313 . 33 GLN HA H 4.53 0.02 1 314 . 33 GLN HB2 H 1.88 0.02 1 315 . 33 GLN HB3 H 1.88 0.02 1 316 . 33 GLN HG2 H 2.28 0.02 2 317 . 33 GLN HG3 H 2.03 0.02 2 318 . 33 GLN C C 172.70 0.20 1 319 . 33 GLN CA C 55.02 0.20 1 320 . 33 GLN CB C 32.83 0.20 1 321 . 33 GLN N N 115.85 0.05 1 322 . 34 TYR H H 8.76 0.02 1 323 . 34 TYR HA H 4.88 0.02 1 324 . 34 TYR HB2 H 2.32 0.02 1 325 . 34 TYR HB3 H 2.32 0.02 1 326 . 34 TYR HD1 H 6.83 0.02 1 327 . 34 TYR HD2 H 6.83 0.02 1 328 . 34 TYR C C 175.85 0.20 1 329 . 34 TYR CA C 57.50 0.20 1 330 . 34 TYR CB C 41.73 0.20 1 331 . 34 TYR CD1 C 133.20 0.20 1 332 . 34 TYR CD2 C 133.20 0.20 1 333 . 34 TYR N N 121.63 0.05 1 334 . 35 GLU H H 8.37 0.02 1 335 . 35 GLU HA H 4.88 0.02 1 336 . 35 GLU HB2 H 2.13 0.02 1 337 . 35 GLU HB3 H 2.13 0.02 1 338 . 35 GLU HG2 H 2.05 0.02 2 339 . 35 GLU HG3 H 1.85 0.02 2 340 . 35 GLU C C 175.55 0.20 1 341 . 35 GLU CA C 56.20 0.20 1 342 . 35 GLU CB C 34.00 0.20 1 343 . 35 GLU N N 118.95 0.05 1 344 . 36 TRP H H 8.92 0.02 1 345 . 36 TRP HA H 5.91 0.02 1 346 . 36 TRP HB2 H 3.16 0.02 2 347 . 36 TRP HB3 H 3.08 0.02 2 348 . 36 TRP HD1 H 7.32 0.02 1 349 . 36 TRP C C 175.92 0.20 1 350 . 36 TRP CA C 56.58 0.20 1 351 . 36 TRP CB C 32.46 0.20 1 352 . 36 TRP N N 129.50 0.05 1 353 . 37 GLN H H 9.06 0.02 1 354 . 37 GLN HA H 4.71 0.02 1 355 . 37 GLN HB2 H 2.00 0.02 2 356 . 37 GLN HB3 H 1.90 0.02 2 357 . 37 GLN HG2 H 2.34 0.02 2 358 . 37 GLN HG3 H 2.15 0.02 2 359 . 37 GLN C C 174.05 0.20 1 360 . 37 GLN CA C 54.85 0.20 1 361 . 37 GLN CB C 33.76 0.20 1 362 . 37 GLN CG C 36.60 0.20 1 363 . 37 GLN N N 117.23 0.05 1 364 . 38 LYS H H 9.20 0.02 1 365 . 38 LYS HA H 4.45 0.02 1 366 . 38 LYS HB2 H 1.35 0.02 1 367 . 38 LYS HB3 H 1.35 0.02 1 368 . 38 LYS HG2 H 1.00 0.02 1 369 . 38 LYS HG3 H 1.00 0.02 1 370 . 38 LYS C C 175.85 0.20 1 371 . 38 LYS CA C 56.23 0.20 1 372 . 38 LYS CB C 34.23 0.20 1 373 . 38 LYS N N 123.84 0.05 1 374 . 39 LEU H H 8.79 0.02 1 375 . 39 LEU HA H 4.32 0.02 1 376 . 39 LEU HB2 H 1.52 0.02 2 377 . 39 LEU HB3 H 1.25 0.02 2 378 . 39 LEU HG H 0.84 0.02 1 379 . 39 LEU HD1 H 0.78 0.02 3 380 . 39 LEU HD2 H 0.78 0.02 3 381 . 39 LEU C C 177.20 0.20 1 382 . 39 LEU CA C 55.10 0.20 1 383 . 39 LEU CB C 42.91 0.20 1 384 . 39 LEU CG C 25.00 0.20 1 385 . 39 LEU CD1 C 23.60 0.20 2 386 . 39 LEU CD2 C 23.20 0.20 2 387 . 39 LEU N N 125.61 0.05 1 388 . 40 SER H H 7.22 0.02 1 389 . 40 SER HA H 4.58 0.02 1 390 . 40 SER HB2 H 4.16 0.02 2 391 . 40 SER HB3 H 3.65 0.02 2 392 . 40 SER C C 173.54 0.20 1 393 . 40 SER CA C 56.90 0.20 1 394 . 40 SER CB C 65.69 0.20 1 395 . 40 SER N N 112.38 0.05 1 396 . 41 ASP H H 8.80 0.02 1 397 . 41 ASP HA H 4.20 0.02 1 398 . 41 ASP HB2 H 2.90 0.02 1 399 . 41 ASP HB3 H 2.90 0.02 1 400 . 41 ASP CA C 56.15 0.20 1 401 . 41 ASP CB C 41.73 0.20 1 402 . 42 SER H H 9.50 0.02 1 403 . 42 SER HA H 4.16 0.02 1 404 . 42 SER HB2 H 3.96 0.02 1 405 . 42 SER HB3 H 3.96 0.02 1 406 . 42 SER C C 175.06 0.20 1 407 . 42 SER CA C 59.60 0.20 1 408 . 42 SER CB C 63.77 0.20 1 409 . 42 SER N N 120.92 0.05 1 410 . 43 GLN H H 8.48 0.02 1 411 . 43 GLN HA H 3.55 0.02 1 412 . 43 GLN HB2 H 1.96 0.02 2 413 . 43 GLN HB3 H 1.86 0.02 2 414 . 43 GLN HG2 H 2.25 0.02 1 415 . 43 GLN HG3 H 2.25 0.02 1 416 . 43 GLN C C 174.68 0.20 1 417 . 43 GLN CA C 57.60 0.20 1 418 . 43 GLN CB C 26.97 0.20 1 419 . 43 GLN N N 113.89 0.05 1 420 . 44 LYS H H 7.80 0.02 1 421 . 44 LYS HA H 4.63 0.02 1 422 . 44 LYS HB2 H 1.80 0.02 2 423 . 44 LYS HB3 H 1.68 0.02 2 424 . 44 LYS HG2 H 1.55 0.02 2 425 . 44 LYS HG3 H 1.40 0.02 2 426 . 44 LYS C C 175.50 0.20 1 427 . 44 LYS CA C 54.45 0.20 1 428 . 44 LYS CB C 34.00 0.20 1 429 . 44 LYS N N 119.27 0.05 1 430 . 45 MET H H 8.59 0.02 1 431 . 45 MET HA H 4.48 0.02 1 432 . 45 MET CA C 52.92 0.20 1 433 . 45 MET CB C 31.19 0.20 1 434 . 46 PRO HA H 4.06 0.02 1 435 . 46 PRO HB2 H 1.52 0.02 1 436 . 46 PRO HB3 H 1.52 0.02 1 437 . 46 PRO C C 177.92 0.20 1 438 . 46 PRO CA C 63.06 0.20 1 439 . 46 PRO CB C 30.95 0.20 1 440 . 47 THR H H 8.46 0.02 1 441 . 47 THR HA H 4.75 0.02 1 442 . 47 THR HB H 4.09 0.02 1 443 . 47 THR HG2 H 1.26 0.02 1 444 . 47 THR C C 177.00 0.20 1 445 . 47 THR CA C 65.81 0.02 1 446 . 47 THR CB C 68.69 0.20 1 447 . 47 THR CG2 C 22.20 0.20 1 448 . 47 THR N N 120.41 0.05 1 449 . 48 SER H H 8.44 0.02 1 450 . 48 SER HA H 4.76 0.02 1 451 . 48 SER HB2 H 4.28 0.02 2 452 . 48 SER HB3 H 3.96 0.02 2 453 . 48 SER C C 175.30 0.20 1 454 . 48 SER CA C 60.13 0.20 1 455 . 48 SER CB C 63.06 0.20 1 456 . 48 SER N N 114.62 0.05 1 457 . 49 TRP H H 7.81 0.02 1 458 . 49 TRP HA H 4.93 0.02 1 459 . 49 TRP HB2 H 3.14 0.02 2 460 . 49 TRP HB3 H 2.89 0.02 2 461 . 49 TRP C C 177.55 0.20 1 462 . 49 TRP CA C 55.43 0.20 1 463 . 49 TRP CB C 29.78 0.20 1 464 . 49 TRP N N 121.58 0.05 1 465 . 50 LEU H H 7.42 0.02 1 466 . 50 LEU HA H 4.02 0.02 1 467 . 50 LEU HB2 H 1.83 0.02 2 468 . 50 LEU HB3 H 1.50 0.02 2 469 . 50 LEU HD1 H 0.97 0.02 2 470 . 50 LEU HD2 H 0.87 0.02 2 471 . 50 LEU C C 179.30 0.20 1 472 . 50 LEU CA C 58.50 0.20 1 473 . 50 LEU CB C 41.50 0.20 1 474 . 50 LEU CD1 C 25.28 0.20 2 475 . 50 LEU CD2 C 23.60 0.20 2 476 . 50 LEU N N 119.25 0.05 1 477 . 51 ALA H H 8.29 0.02 1 478 . 51 ALA HA H 4.25 0.02 1 479 . 51 ALA HB H 1.42 0.02 1 480 . 51 ALA C C 178.90 0.20 1 481 . 51 ALA CA C 54.10 0.20 1 482 . 51 ALA CB C 18.30 0.20 1 483 . 51 ALA N N 119.36 0.05 1 484 . 52 GLU H H 7.74 0.02 1 485 . 52 GLU HA H 4.43 0.02 1 486 . 52 GLU HB2 H 1.53 0.02 2 487 . 52 GLU HB3 H 1.46 0.02 2 488 . 52 GLU HG2 H 2.50 0.02 2 489 . 52 GLU HG3 H 2.13 0.02 2 490 . 52 GLU C C 176.10 0.20 1 491 . 52 GLU CA C 55.83 0.20 1 492 . 52 GLU CB C 31.20 0.20 1 493 . 52 GLU N N 116.39 0.05 1 494 . 53 MET H H 7.48 0.02 1 495 . 53 MET HA H 4.28 0.02 1 496 . 53 MET HB2 H 2.51 0.02 2 497 . 53 MET HB3 H 2.18 0.02 2 498 . 53 MET HE H 3.06 0.02 1 499 . 53 MET C C 175.18 0.20 1 500 . 53 MET CA C 58.90 0.20 1 501 . 53 MET CB C 33.53 0.20 1 502 . 53 MET N N 116.56 0.05 1 503 . 54 THR H H 7.82 0.02 1 504 . 54 THR HA H 5.18 0.02 1 505 . 54 THR HB H 4.86 0.02 1 506 . 54 THR HG2 H 1.32 0.02 1 507 . 54 THR C C 174.05 0.20 1 508 . 54 THR CA C 59.82 0.20 1 509 . 54 THR CB C 68.50 0.20 1 510 . 54 THR CG2 C 19.20 0.20 1 511 . 54 THR N N 108.16 0.05 1 512 . 55 SER H H 7.76 0.02 1 513 . 55 SER HA H 4.76 0.02 1 514 . 55 SER HB2 H 4.02 0.02 2 515 . 55 SER HB3 H 3.90 0.02 2 516 . 55 SER C C 172.67 0.20 1 517 . 55 SER CA C 56.50 0.20 1 518 . 55 SER CB C 65.17 0.20 1 519 . 55 SER N N 118.31 0.05 1 520 . 56 SER H H 7.96 0.02 1 521 . 56 SER HA H 3.46 0.02 1 522 . 56 SER HB2 H 3.75 0.02 2 523 . 56 SER HB3 H 2.38 0.02 2 524 . 56 SER C C 172.67 0.20 1 525 . 56 SER CA C 60.10 0.20 1 526 . 56 SER CB C 62.83 0.20 1 527 . 56 SER N N 115.87 0.05 1 528 . 57 VAL H H 7.14 0.02 1 529 . 57 VAL HA H 5.06 0.02 1 530 . 57 VAL HB H 1.68 0.02 1 531 . 57 VAL HG1 H 0.74 0.02 2 532 . 57 VAL HG2 H 0.56 0.02 2 533 . 57 VAL C C 174.83 0.20 1 534 . 57 VAL CA C 59.71 0.20 1 535 . 57 VAL CB C 35.17 0.20 1 536 . 57 VAL CG1 C 20.67 0.20 1 537 . 57 VAL CG2 C 20.67 0.20 1 538 . 57 VAL N N 117.33 0.05 1 539 . 58 ILE H H 8.59 0.02 1 540 . 58 ILE HA H 3.84 0.02 1 541 . 58 ILE HB H 0.47 0.02 1 542 . 58 ILE HG12 H 0.39 0.02 1 543 . 58 ILE HG13 H 0.14 0.02 1 544 . 58 ILE HG2 H -.59 0.02 3 545 . 58 ILE HD1 H -.68 0.02 3 546 . 58 ILE C C 175.53 0.20 1 547 . 58 ILE CA C 59.70 0.20 1 548 . 58 ILE CB C 38.98 0.20 1 549 . 58 ILE CG1 C 21.92 0.20 1 550 . 58 ILE CG2 C 15.18 0.20 1 551 . 58 ILE CD1 C 11.66 0.20 1 552 . 58 ILE N N 127.13 0.05 1 553 . 59 SER H H 8.83 0.02 1 554 . 59 SER HA H 4.20 0.02 1 555 . 59 SER HB2 H 3.60 0.02 1 556 . 59 SER HB3 H 3.60 0.02 1 557 . 59 SER C C 172.55 0.20 1 558 . 59 SER CA C 57.55 0.20 1 559 . 59 SER CB C 62.12 0.20 1 560 . 59 SER N N 124.15 0.05 1 561 . 60 VAL H H 8.37 0.02 1 562 . 60 VAL HA H 3.34 0.02 1 563 . 60 VAL HB H 0.64 0.02 1 564 . 60 VAL HG1 H 0.31 0.02 2 565 . 60 VAL HG2 H -.33 0.02 2 566 . 60 VAL C C 175.18 0.20 1 567 . 60 VAL CA C 62.33 0.20 1 568 . 60 VAL CB C 30.99 0.20 1 569 . 60 VAL CG1 C 21.65 0.20 2 570 . 60 VAL CG2 C 21.10 0.20 2 571 . 60 VAL N N 128.58 0.05 1 572 . 61 LYS H H 8.20 0.02 1 573 . 61 LYS HA H 4.80 0.02 1 574 . 61 LYS HB2 H 1.40 0.02 1 575 . 61 LYS HB3 H 1.40 0.02 1 576 . 61 LYS HG2 H 1.55 0.02 2 577 . 61 LYS HD2 H 1.18 0.02 2 578 . 61 LYS HE2 H 2.79 0.02 1 579 . 61 LYS HE3 H 2.79 0.02 1 580 . 61 LYS C C 176.30 0.20 1 581 . 61 LYS CA C 53.04 0.20 1 582 . 61 LYS CB C 34.47 0.20 1 583 . 61 LYS N N 127.06 0.05 1 584 . 62 ASN H H 8.69 0.02 1 585 . 62 ASN HA H 3.98 0.02 1 586 . 62 ASN HB2 H 3.04 0.02 2 587 . 62 ASN HB3 H 2.36 0.02 2 588 . 62 ASN HD21 H 7.38 0.02 2 589 . 62 ASN HD22 H 6.65 0.02 2 590 . 62 ASN C C 175.42 0.20 1 591 . 62 ASN CA C 56.74 0.20 1 592 . 62 ASN CB C 36.34 0.20 1 593 . 62 ASN N N 121.24 0.05 1 594 . 62 ASN ND2 N 110.30 0.05 1 595 . 63 ALA H H 8.89 0.02 1 596 . 63 ALA HA H 3.70 0.02 1 597 . 63 ALA HB H 1.52 0.02 1 598 . 63 ALA C C 176.80 0.20 1 599 . 63 ALA CA C 54.68 0.20 1 600 . 63 ALA CB C 20.87 0.20 1 601 . 63 ALA N N 118.67 0.05 1 602 . 64 SER H H 6.03 0.02 1 603 . 64 SER HA H 4.71 0.02 1 604 . 64 SER HB2 H 3.68 0.02 2 605 . 64 SER HB3 H 2.78 0.02 2 606 . 64 SER C C 175.30 0.20 1 607 . 64 SER CA C 54.72 0.20 1 608 . 64 SER CB C 64.67 0.20 1 609 . 64 SER N N 114.57 0.05 1 610 . 65 SER H H 9.10 0.02 1 611 . 65 SER HA H 4.07 0.02 1 612 . 65 SER HB2 H 3.97 0.02 2 613 . 65 SER HB3 H 3.74 0.02 2 614 . 65 SER C C 176.80 0.20 1 615 . 65 SER CA C 61.47 0.20 1 616 . 65 SER CB C 62.12 0.20 1 617 . 65 SER N N 120.25 0.05 1 618 . 66 GLU H H 8.38 0.02 1 619 . 66 GLU HA H 4.15 0.02 1 620 . 66 GLU HB2 H 1.88 0.02 1 621 . 66 GLU HB3 H 1.88 0.02 1 622 . 66 GLU HG2 H 2.15 0.02 2 623 . 66 GLU HG3 H 1.82 0.02 2 624 . 66 GLU C C 176.92 0.20 1 625 . 66 GLU CA C 58.12 0.20 1 626 . 66 GLU CB C 9.08 0.20 1 627 . 66 GLU N N 121.32 0.05 1 628 . 67 TYR H H 7.55 0.02 1 629 . 67 TYR HA H 4.50 0.02 1 630 . 67 TYR HB2 H 3.42 0.02 2 631 . 67 TYR HB3 H 3.16 0.02 2 632 . 67 TYR HD1 H 6.77 0.02 1 633 . 67 TYR HD2 H 6.77 0.02 1 634 . 67 TYR C C 177.30 0.20 1 635 . 67 TYR CA C 55.03 0.20 1 636 . 67 TYR CB C 37.05 0.20 1 637 . 67 TYR N N 115.56 0.05 1 638 . 68 SER H H 7.80 0.02 1 639 . 68 SER HA H 4.28 0.02 1 640 . 68 SER HB2 H 3.92 0.02 2 641 . 68 SER HB3 H 3.86 0.02 2 642 . 68 SER C C 172.30 0.20 1 643 . 68 SER CA C 60.60 0.20 1 644 . 68 SER CB C 64.00 0.20 1 645 . 68 SER N N 116.76 0.05 1 646 . 69 GLY H H 9.00 0.02 1 647 . 69 GLY HA2 H 4.24 0.02 2 648 . 69 GLY HA3 H 3.89 0.02 2 649 . 69 GLY C C 171.30 0.20 1 650 . 69 GLY CA C 44.60 0.20 1 651 . 69 GLY N N 110.37 0.05 1 652 . 70 THR H H 8.46 0.02 1 653 . 70 THR HA H 5.18 0.02 1 654 . 70 THR HB H 4.21 0.02 1 655 . 70 THR HG2 H 1.12 0.02 1 656 . 70 THR C C 172.80 0.20 1 657 . 70 THR CA C 62.00 0.20 1 658 . 70 THR CB C 69.86 0.20 1 659 . 70 THR CG2 C 21.62 0.20 1 660 . 70 THR N N 116.52 0.05 1 661 . 71 TYR H H 9.62 0.02 1 662 . 71 TYR HA H 5.36 0.02 1 663 . 71 TYR HB2 H 3.32 0.02 2 664 . 71 TYR HB3 H 2.91 0.02 2 665 . 71 TYR HD1 H 7.07 0.02 1 666 . 71 TYR HD2 H 7.07 0.02 1 667 . 71 TYR HE1 H 6.73 0.02 1 668 . 71 TYR HE2 H 6.73 0.02 1 669 . 71 TYR C C 174.44 0.20 1 670 . 71 TYR CA C 56.72 0.20 1 671 . 71 TYR CB C 42.25 0.20 1 672 . 71 TYR CD1 C 133.20 0.20 1 673 . 71 TYR CD2 C 133.20 0.20 1 674 . 71 TYR CE1 C 118.00 0.20 1 675 . 71 TYR CE2 C 118.00 0.20 1 676 . 71 TYR N N 126.52 0.05 1 677 . 72 SER H H 9.57 0.02 1 678 . 72 SER HA H 5.57 0.02 1 679 . 72 SER HB2 H 3.66 0.02 2 680 . 72 SER HB3 H 3.55 0.02 2 681 . 72 SER C C 172.93 0.20 1 682 . 72 SER CA C 55.20 0.20 1 683 . 72 SER CB C 66.58 0.20 1 684 . 72 SER N N 113.67 0.05 1 685 . 73 CYS H H 8.68 0.02 1 686 . 73 CYS HA H 4.24 0.02 1 687 . 73 CYS HB2 H 2.42 0.02 1 688 . 73 CYS HB3 H 2.42 0.02 1 689 . 73 CYS C C 173.55 0.20 1 690 . 73 CYS CA C 52.92 0.20 1 691 . 73 CYS CB C 43.61 0.20 1 692 . 73 CYS N N 123.85 0.05 1 693 . 74 THR H H 8.58 0.02 1 694 . 74 THR HA H 4.74 0.02 1 695 . 74 THR HB H 3.80 0.02 1 696 . 74 THR HG2 H 0.93 0.02 1 697 . 74 THR C C 172.80 0.20 1 698 . 74 THR CA C 61.94 0.20 1 699 . 74 THR CB C 69.86 0.20 1 700 . 74 THR CG2 C 20.70 0.20 1 701 . 74 THR N N 122.94 0.05 1 702 . 75 VAL H H 9.01 0.02 1 703 . 75 VAL HA H 4.32 0.02 1 704 . 75 VAL HB H 1.67 0.02 1 705 . 75 VAL HG1 H 0.48 0.02 2 706 . 75 VAL HG2 H 0.38 0.02 2 707 . 75 VAL C C 175.55 0.20 1 708 . 75 VAL CA C 59.64 0.20 1 709 . 75 VAL CB C 33.12 0.20 1 710 . 75 VAL CG1 C 21.77 0.20 2 711 . 75 VAL CG2 C 21.92 0.20 2 712 . 75 VAL N N 127.24 0.05 1 713 . 76 ARG H H 8.60 0.02 1 714 . 76 ARG HA H 4.54 0.02 1 715 . 76 ARG HB2 H 1.72 0.02 2 716 . 76 ARG HB3 H 1.55 0.02 2 717 . 76 ARG HG2 H 1.38 0.02 1 718 . 76 ARG HG3 H 1.38 0.02 1 719 . 76 ARG HD2 H 3.00 0.02 1 720 . 76 ARG HD3 H 3.00 0.02 1 721 . 76 ARG C C 174.90 0.20 1 722 . 76 ARG CA C 55.38 0.20 1 723 . 76 ARG CB C 31.65 0.20 1 724 . 76 ARG N N 126.52 0.05 1 725 . 77 ASN H H 8.46 0.02 1 726 . 77 ASN HA H 4.97 0.02 1 727 . 77 ASN HB2 H 2.76 0.02 1 728 . 77 ASN HB3 H 2.76 0.02 1 729 . 77 ASN C C 174.62 0.20 1 730 . 77 ASN CA C 51.75 0.20 1 731 . 77 ASN CB C 40.80 0.20 1 732 . 77 ASN N N 122.83 0.05 1 733 . 78 ARG H H 8.63 0.02 1 734 . 78 ARG HA H 3.98 0.02 1 735 . 78 ARG HB2 H 1.83 0.02 1 736 . 78 ARG HB3 H 1.83 0.02 1 737 . 78 ARG HG2 H 1.64 0.02 1 738 . 78 ARG HG3 H 1.64 0.02 1 739 . 78 ARG HD2 H 3.16 0.02 1 740 . 78 ARG HD3 H 3.16 0.02 1 741 . 78 ARG C C 177.40 0.20 1 742 . 78 ARG CA C 59.53 0.20 1 743 . 78 ARG CB C 30.25 0.20 1 744 . 78 ARG N N 117.97 0.05 1 745 . 79 VAL H H 7.70 0.02 1 746 . 79 VAL HA H 4.20 0.02 1 747 . 79 VAL HB H 2.05 0.02 1 748 . 79 VAL HG1 H 0.85 0.02 2 749 . 79 VAL HG2 H 0.80 0.02 2 750 . 79 VAL C C 175.92 0.20 1 751 . 79 VAL CA C 61.93 0.20 1 752 . 79 VAL CB C 33.10 0.20 1 753 . 79 VAL CG1 C 21.48 0.20 2 754 . 79 VAL CG2 C 21.10 0.20 2 755 . 79 VAL N N 113.43 0.05 1 756 . 80 GLY H H 8.02 0.02 1 757 . 80 GLY HA2 H 4.15 0.02 2 758 . 80 GLY HA3 H 3.90 0.02 2 759 . 80 GLY C C 171.60 0.20 1 760 . 80 GLY CA C 45.22 0.02 1 761 . 80 GLY N N 112.38 0.05 1 762 . 81 SER H H 8.09 0.02 1 763 . 81 SER HA H 5.23 0.02 1 764 . 81 SER HB2 H 3.60 0.02 2 765 . 81 SER HB3 H 3.54 0.02 2 766 . 81 SER C C 172.23 0.20 1 767 . 81 SER CA C 57.02 0.20 1 768 . 81 SER CB C 66.16 0.20 1 769 . 81 SER N N 113.36 0.05 1 770 . 82 ASP H H 8.75 0.02 1 771 . 82 ASP HA H 5.01 0.02 1 772 . 82 ASP HB2 H 2.50 0.02 2 773 . 82 ASP HB3 H 2.27 0.02 2 774 . 82 ASP C C 173.73 0.20 1 775 . 82 ASP CA C 53.02 0.20 1 776 . 82 ASP CB C 45.72 0.20 1 777 . 82 ASP N N 120.94 0.05 1 778 . 83 GLN H H 8.62 0.02 1 779 . 83 GLN HA H 5.66 0.02 1 780 . 83 GLN HB2 H 2.18 0.02 2 781 . 83 GLN HB3 H 2.08 0.02 2 782 . 83 GLN HG2 H 1.90 0.02 2 783 . 83 GLN HG3 H 1.85 0.02 2 784 . 83 GLN HE21 H 7.32 0.02 2 785 . 83 GLN HE22 H 6.62 0.02 2 786 . 83 GLN C C 173.70 0.20 1 787 . 83 GLN CA C 54.21 0.20 1 788 . 83 GLN CB C 33.14 0.20 1 789 . 83 GLN CG C 33.53 0.20 1 790 . 83 GLN N N 118.88 0.05 1 791 . 83 GLN NE2 N 111.30 0.05 1 792 . 84 CYS H H 9.04 0.02 9 793 . 84 CYS HA H 4.84 0.02 9 794 . 84 CYS C C 174.70 0.20 9 795 . 84 CYS CA C 56.90 0.20 9 796 . 84 CYS CB C 48.30 0.20 9 797 . 84 CYS N N 119.75 0.05 9 798 . 85 LEU H H 8.75 0.02 1 799 . 85 LEU HA H 5.31 0.02 1 800 . 85 LEU HB2 H 1.65 0.02 2 801 . 85 LEU HB3 H 1.34 0.02 2 802 . 85 LEU HG H 1.55 0.02 1 803 . 85 LEU HD1 H 0.75 0.02 2 804 . 85 LEU HD2 H 0.70 0.02 2 805 . 85 LEU C C 175.92 0.20 1 806 . 85 LEU CA C 53.73 0.20 1 807 . 85 LEU CB C 45.30 0.20 1 808 . 85 LEU CD1 C 24.62 0.20 2 809 . 85 LEU CD2 C 22.87 0.20 2 810 . 86 LEU H H 9.34 0.02 1 811 . 86 LEU HA H 4.71 0.02 1 812 . 86 LEU HB2 H 1.83 0.02 2 813 . 86 LEU HB3 H 1.33 00.02 2 814 . 86 LEU HG H 1.46 0.02 1 815 . 86 LEU HD1 H 0.83 0.02 2 816 . 86 LEU HD2 H 0.74 0.02 2 817 . 86 LEU C C 174.15 0.20 1 818 . 86 LEU CA C 53.73 0.20 1 819 . 86 LEU CB C 46.66 0.20 1 820 . 86 LEU CD1 C 25.87 0.20 2 821 . 86 LEU CD2 C 24.48 0.20 2 822 . 86 LEU N N 123.44 0.05 1 823 . 87 ARG H H 8.91 0.02 1 824 . 87 ARG HA H 5.13 0.02 1 825 . 87 ARG HB2 H 1.80 0.02 2 826 . 87 ARG HB3 H 1.68 0.02 2 827 . 87 ARG N N 126.80 0.05 1 828 . 88 LEU H H 9.43 0.02 1 829 . 88 LEU HA H 4.77 0.02 1 830 . 88 LEU HB2 H 1.83 0.02 2 831 . 88 LEU HB3 H 1.72 0.02 2 832 . 88 LEU HG H 0.86 0.02 1 833 . 88 LEU HD1 H 1.20 0.02 2 834 . 88 LEU HD2 H 1.13 0.02 2 835 . 88 LEU C C 176.55 0.20 1 836 . 88 LEU CA C 53.45 0.20 1 837 . 88 LEU CB C 44.78 0.20 1 838 . 88 LEU CD1 C 24.39 0.20 2 839 . 88 LEU CD2 C 21.66 0.20 2 840 . 88 LEU N N 127.33 0.05 1 841 . 89 ASN H H 9.42 0.02 1 842 . 89 ASN HA H 4.97 0.02 1 843 . 89 ASN HB2 H 2.73 0.02 2 844 . 89 ASN HB3 H 2.42 0.02 2 845 . 89 ASN C C 171.92 0.20 1 846 . 89 ASN CA C 52.30 0.20 1 847 . 89 ASN CB C 39.42 0.20 1 848 . 89 ASN N N 128.25 0.05 1 849 . 90 VAL H H 8.22 0.02 1 850 . 90 VAL HA H 3.96 0.02 1 851 . 90 VAL HB H 1.85 0.02 1 852 . 90 VAL HG1 H 0.86 0.02 2 853 . 90 VAL HG2 H 0.46 0.02 2 854 . 90 VAL C C 175.80 0.20 1 855 . 90 VAL CA C 62.71 0.20 1 856 . 90 VAL CB C 30.95 0.20 1 857 . 90 VAL CG1 C 21.84 0.20 2 858 . 90 VAL CG2 C 20.90 0.20 2 859 . 90 VAL N N 124.43 0.05 1 860 . 91 VAL H H 7.73 0.02 1 861 . 91 VAL HA H 4.80 0.02 1 862 . 91 VAL HB H 2.24 0.02 1 863 . 91 VAL HG1 H 0.83 0.02 2 864 . 91 VAL HG2 H 0.79 0.02 2 865 . 91 VAL CA C 58.93 0.20 1 866 . 91 VAL CB C 32.59 0.20 1 867 . 91 VAL CG1 C 21.00 0.20 2 868 . 91 VAL CG2 C 20.60 0.20 2 869 . 93 PRO HA H 4.33 0.02 1 870 . 93 PRO HB2 H 2.26 0.02 2 871 . 93 PRO HB3 H 1.88 0.02 2 872 . 93 PRO HG2 H 2.20 0.02 1 873 . 93 PRO HG3 H 2.20 0.02 1 874 . 93 PRO HD2 H 3.76 0.02 2 875 . 93 PRO HD3 H 3.68 0.02 2 876 . 93 PRO C C 176.75 0.20 1 877 . 93 PRO CA C 62.90 0.20 1 878 . 93 PRO CB C 32.36 0.20 1 879 . 93 PRO CD C 50.64 0.20 1 880 . 94 SER H H 8.48 0.02 1 881 . 94 SER HA H 4.37 0.02 1 882 . 94 SER HB2 H 3.80 0.02 1 883 . 94 SER HB3 H 3.80 0.02 1 884 . 94 SER C C 174.40 0.20 1 885 . 94 SER CA C 58.31 0.20 1 886 . 94 SER CB C 63.77 0.20 1 887 . 94 SER N N 116.63 0.05 1 888 . 95 ASN H H 8.43 0.02 1 889 . 95 ASN HA H 4.66 0.02 1 890 . 95 ASN HB2 H 2.77 0.02 2 891 . 95 ASN HB3 H 2.71 0.02 2 892 . 95 ASN C C 174.10 0.20 1 893 . 95 ASN CA C 53.33 0.20 1 894 . 95 ASN CB C 38.69 0.20 1 895 . 95 ASN N N 120.96 0.05 1 896 . 96 LYS H H 7.86 0.02 1 897 . 96 LYS HA H 4.11 0.02 1 898 . 96 LYS HB2 H 2.20 0.02 2 899 . 96 LYS HB3 H 2.14 0.02 2 900 . 96 LYS HG2 H 1.91 0.02 2 901 . 96 LYS HG3 H 1.76 0.02 2 902 . 96 LYS HD2 H 1.59 0.02 2 903 . 96 LYS HD3 H 1.31 0.02 2 904 . 96 LYS HE2 H 3.13 0.02 2 905 . 96 LYS HE3 H 2.91 0.02 2 906 . 96 LYS CA C 57.60 0.20 1 907 . 96 LYS CB C 33.76 0.20 1 908 . 96 LYS CG C 24.39 0.20 1 909 . 96 LYS CD C 27.67 0.20 1 910 . 96 LYS CE C 42.98 0.20 1 911 . 96 LYS N N 126.40 0.05 1 stop_ save_