data_18505 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain assignments of MHV N protein NTD (aa60-197) ; _BMRB_accession_number 18505 _BMRB_flat_file_name bmr18505.str _Entry_type original _Submission_date 2012-06-06 _Accession_date 2012-06-06 _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 Keane Sarah C. . 2 Giedroc David P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 422 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-10 original author . stop_ _Original_release_date 2012-07-10 save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side chain assignments of MHV N NTD' _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Keane Sarah C. . 2 Giedroc David P. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MHV N NTD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NTD $MHV_N_NTD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MHV_N_NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MHV_N_NTD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GSVVPHYSWFSGITQFQKGK EFQFAEGQGVPIANGIPASE QKGYWYRHNRRSFKTPDGQQ KQLLPRWYFYYLGTGPHAGA SYGDSIEGVFWVANSQADTN TRSDIVERDPSSHEAIPTRF APGTVLPQGFYVEGSGRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 60 GLY 2 61 SER 3 62 VAL 4 63 VAL 5 64 PRO 6 65 HIS 7 66 TYR 8 67 SER 9 68 TRP 10 69 PHE 11 70 SER 12 71 GLY 13 72 ILE 14 73 THR 15 74 GLN 16 75 PHE 17 76 GLN 18 77 LYS 19 78 GLY 20 79 LYS 21 80 GLU 22 81 PHE 23 82 GLN 24 83 PHE 25 84 ALA 26 85 GLU 27 86 GLY 28 87 GLN 29 88 GLY 30 89 VAL 31 90 PRO 32 91 ILE 33 92 ALA 34 93 ASN 35 94 GLY 36 95 ILE 37 96 PRO 38 97 ALA 39 98 SER 40 99 GLU 41 100 GLN 42 101 LYS 43 102 GLY 44 103 TYR 45 104 TRP 46 105 TYR 47 106 ARG 48 107 HIS 49 108 ASN 50 109 ARG 51 110 ARG 52 111 SER 53 112 PHE 54 113 LYS 55 114 THR 56 115 PRO 57 116 ASP 58 117 GLY 59 118 GLN 60 119 GLN 61 120 LYS 62 121 GLN 63 122 LEU 64 123 LEU 65 124 PRO 66 125 ARG 67 126 TRP 68 127 TYR 69 128 PHE 70 129 TYR 71 130 TYR 72 131 LEU 73 132 GLY 74 133 THR 75 134 GLY 76 135 PRO 77 136 HIS 78 137 ALA 79 138 GLY 80 139 ALA 81 140 SER 82 141 TYR 83 142 GLY 84 143 ASP 85 144 SER 86 145 ILE 87 146 GLU 88 147 GLY 89 148 VAL 90 149 PHE 91 150 TRP 92 151 VAL 93 152 ALA 94 153 ASN 95 154 SER 96 155 GLN 97 156 ALA 98 157 ASP 99 158 THR 100 159 ASN 101 160 THR 102 161 ARG 103 162 SER 104 163 ASP 105 164 ILE 106 165 VAL 107 166 GLU 108 167 ARG 109 168 ASP 110 169 PRO 111 170 SER 112 171 SER 113 172 HIS 114 173 GLU 115 174 ALA 116 175 ILE 117 176 PRO 118 177 THR 119 178 ARG 120 179 PHE 121 180 ALA 122 181 PRO 123 182 GLY 124 183 THR 125 184 VAL 126 185 LEU 127 186 PRO 128 187 GLN 129 188 GLY 130 189 PHE 131 190 TYR 132 191 VAL 133 192 GLU 134 193 GLY 135 194 SER 136 195 GLY 137 196 ARG 138 197 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 3HD4 "Mhv Nucleocapsid Protein Ntd" 100.00 139 100.00 100.00 2.10e-95 EMBL CAA25198 "nucleocapsid protein [Murine hepatitis virus]" 100.00 454 100.00 100.00 4.37e-95 GB AAA46444 "hepatitis virus nucleocapsid (N-MHV3) ORF 1 [Murine hepatitis virus]" 100.00 454 100.00 100.00 6.11e-95 GB AAA46447 "hepatitis virus nucleocapsid (N-MHVA59) ORF 1 [Murine hepatitis virus]" 100.00 454 100.00 100.00 4.98e-95 GB AAA46462 "nucleocapsid protein [Murine hepatitis virus]" 100.00 425 100.00 100.00 3.77e-95 GB AAA74734 "nucleoprotein [Murine hepatitis virus]" 100.00 455 98.55 100.00 3.62e-94 GB AAA76578 "nucleoprotein [Murine hepatitis virus]" 100.00 451 97.10 100.00 1.92e-93 REF NP_045302 "nucleocapsid protein [Murine hepatitis virus strain A59]" 100.00 454 100.00 100.00 4.98e-95 SP P03416 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 100.00 454 100.00 100.00 4.98e-95 SP P18447 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 100.00 454 100.00 100.00 6.11e-95 SP Q83360 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 100.00 455 98.55 100.00 3.62e-94 SP Q9WCD0 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 100.00 454 97.10 99.28 9.28e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $MHV_N_NTD 'Murine Hepatitis Virus' 11138 Virus . Betacoronavirus 'Murine coronavirus' A59 N 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 $MHV_N_NTD 'recombinant technology' . Escherichia coli . pMBP 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 $MHV_N_NTD 200 uM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MHV_N_NTD 200 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_HBCBCGCDHD_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample_1 save_ save_HBCBCGCDCEHE_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.0 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCANH' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HNHA' '3D 1H-15N TOCSY' '3D HNHB' HBCBCGCDHD HBCBCGCDCEHE '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NTD _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 61 2 SER HB2 H 3.84 0 2 2 61 2 SER HB3 H 3.84 0 2 3 61 2 SER C C 176.13 0 . 4 61 2 SER CA C 58.28 0 1 5 61 2 SER CB C 64.05 0 1 6 62 3 VAL H H 8.28 0.01 1 7 62 3 VAL HA H 4.16 0.01 1 8 62 3 VAL HB H 2.04 0.01 1 9 62 3 VAL HG1 H 0.93 0 2 10 62 3 VAL HG2 H 0.88 0.01 2 11 62 3 VAL C C 175.88 0 . 12 62 3 VAL CA C 62.35 0.1 1 13 62 3 VAL CB C 32.53 0.14 1 14 62 3 VAL CG1 C 20.89 0 . 15 62 3 VAL CG2 C 21.12 0 2 16 62 3 VAL N N 122.32 0.05 1 17 63 4 VAL H H 8.09 0.01 1 18 63 4 VAL HA H 4.33 0.01 1 19 63 4 VAL HB H 1.93 0.01 1 20 63 4 VAL HG1 H 0.81 0.01 2 21 63 4 VAL HG2 H 0.78 0 2 22 63 4 VAL CA C 59.46 0.11 1 23 63 4 VAL CG1 C 20.2 0 2 24 63 4 VAL CG2 C 20.91 0 2 25 63 4 VAL N N 125.88 0.05 1 26 64 5 PRO HA H 4.19 0.01 1 27 64 5 PRO HB2 H 2 0 2 28 64 5 PRO HB3 H 2 0 2 29 64 5 PRO HG2 H 1.91 0 2 30 64 5 PRO HG3 H 1.91 0 2 31 64 5 PRO C C 176.21 0 . 32 64 5 PRO CA C 62.74 0.16 1 33 64 5 PRO CB C 32.2 0.02 1 34 64 5 PRO CG C 22.26 0 1 35 65 6 HIS H H 8.92 0.01 1 36 65 6 HIS HA H 4.33 0.02 1 37 65 6 HIS HB2 H 3.7 0 2 38 65 6 HIS HB3 H 3.7 0 2 39 65 6 HIS CA C 57.49 0.07 1 40 65 6 HIS CB C 30.03 0.04 1 41 65 6 HIS N N 128.66 0.06 1 42 66 7 TYR H H 8.2 0.02 1 43 66 7 TYR HA H 4.92 0.01 1 44 66 7 TYR HB2 H 2.61 0.01 2 45 66 7 TYR HB3 H 2.98 0 2 46 66 7 TYR CA C 49.51 0.02 1 47 66 7 TYR CB C 41.46 0.1 1 48 66 7 TYR N N 126.38 0.07 1 49 67 8 SER HA H 4.24 0 1 50 67 8 SER C C 176.68 0 . 51 67 8 SER CA C 57.01 0 1 52 67 8 SER CB C 63.44 0.02 1 53 68 9 TRP H H 10.11 0.03 1 54 68 9 TRP HB2 H 3.01 0 2 55 68 9 TRP HB3 H 2.49 0 2 56 68 9 TRP HD1 H 7.5 0.06 1 57 68 9 TRP HE1 H 10.65 0.01 1 58 68 9 TRP C C 173.95 0 . 59 68 9 TRP CA C 61.75 0 1 60 68 9 TRP CB C 30.7 0.03 1 61 68 9 TRP N N 128.38 0.09 1 62 68 9 TRP NE1 N 129.62 0.02 1 63 69 10 PHE H H 8.23 0.01 1 64 69 10 PHE HA H 6.03 0.01 1 65 69 10 PHE HB2 H 2.63 0 . 66 69 10 PHE HB3 H 2.63 0 . 67 69 10 PHE C C 177.74 0 . 68 69 10 PHE CA C 56.7 0.06 1 69 69 10 PHE CB C 42.93 0.15 1 70 69 10 PHE N N 115.01 0.1 1 71 70 11 SER H H 8.31 0.01 1 72 70 11 SER HA H 4.62 0 1 73 70 11 SER HB2 H 4.36 0.05 2 74 70 11 SER HB3 H 4.14 0.08 2 75 70 11 SER C C 176.57 0 . 76 70 11 SER CA C 58.72 0 1 77 70 11 SER CB C 64.31 0.01 1 78 70 11 SER N N 118.5 0.04 1 79 71 12 GLY H H 9.3 0.01 1 80 71 12 GLY HA2 H 4.71 0 2 81 71 12 GLY HA3 H 2.97 0 2 82 71 12 GLY C C 171.93 0 . 83 71 12 GLY CA C 45.38 0.04 1 84 71 12 GLY N N 110.59 0.03 1 85 72 13 ILE H H 9.17 0.01 1 86 72 13 ILE HG2 H 0.77 0 . 87 72 13 ILE CA C 60.89 0.04 1 88 72 13 ILE CB C 40.23 0.08 1 89 72 13 ILE CG1 C 28.08 0 1 90 72 13 ILE CG2 C 19.26 0 1 91 72 13 ILE N N 117.5 0.02 1 92 73 14 THR H H 9.33 0.01 1 93 73 14 THR HA H 4.69 0.01 1 94 73 14 THR HB H 3.55 0.01 1 95 73 14 THR HG2 H 1.17 0 . 96 73 14 THR C C 173.62 0 . 97 73 14 THR CA C 62.7 0 1 98 73 14 THR CB C 70.48 0.1 1 99 73 14 THR N N 126.86 0.09 1 100 74 15 GLN H H 8.74 0.01 1 101 74 15 GLN HA H 3.85 0.01 1 102 74 15 GLN HB2 H 1.11 0 2 103 74 15 GLN HB3 H 1.11 0 2 104 74 15 GLN C C 174.1 0 . 105 74 15 GLN CA C 55.91 0 1 106 74 15 GLN CB C 28.79 0 1 107 74 15 GLN CG C 33.09 0 1 108 74 15 GLN N N 128.67 0.06 1 109 75 16 PHE H H 8.71 0.01 1 110 75 16 PHE HA H 5.01 0.01 1 111 75 16 PHE HB2 H 3.32 0.01 2 112 75 16 PHE HB3 H 2.71 0.01 2 113 75 16 PHE HD1 H 7.09 0.09 3 114 75 16 PHE HD2 H 7.09 0.09 3 115 75 16 PHE CA C 56.91 0.07 1 116 75 16 PHE CB C 40.96 0.03 1 117 75 16 PHE N N 122.54 0.08 1 118 76 17 GLN H H 6.89 0.01 1 119 76 17 GLN HA H 4.56 0.01 1 120 76 17 GLN HB2 H 1.74 0.01 2 121 76 17 GLN HB3 H 1.49 0.05 2 122 76 17 GLN HG2 H 2.1 0.02 2 123 76 17 GLN HG3 H 2.1 0.02 2 124 76 17 GLN C C 174.77 0 . 125 76 17 GLN CA C 54.19 0.24 1 126 76 17 GLN CB C 31.12 0 1 127 76 17 GLN CG C 33.59 0 1 128 76 17 GLN N N 121.44 0.04 1 129 77 18 LYS H H 8.67 0.01 1 130 77 18 LYS HA H 3.89 0 1 131 77 18 LYS HB2 H 1.73 0.03 2 132 77 18 LYS HB3 H 1.73 0.03 2 133 77 18 LYS HG2 H 1.45 0 2 134 77 18 LYS HG3 H 1.39 0 2 135 77 18 LYS C C 177.2 0 . 136 77 18 LYS CA C 57.64 0.05 1 137 77 18 LYS CB C 32.76 0.13 1 138 77 18 LYS CG C 25.3 0 1 139 77 18 LYS CD C 29.27 0 1 140 77 18 LYS N N 125.49 0.03 1 141 78 19 GLY H H 8.78 0.01 1 142 78 19 GLY HA2 H 4.02 0 2 143 78 19 GLY HA3 H 3.75 0 2 144 78 19 GLY C C 174.08 0 . 145 78 19 GLY CA C 45.98 0.01 1 146 78 19 GLY N N 110.24 0.04 1 147 79 20 LYS H H 6.72 0.01 1 148 79 20 LYS HA H 4.54 0.01 1 149 79 20 LYS HB2 H 1.93 0 2 150 79 20 LYS HB3 H 2.07 0 2 151 79 20 LYS HG2 H 1.58 0 2 152 79 20 LYS HG3 H 1.55 0 2 153 79 20 LYS HD2 H 1.11 0 2 154 79 20 LYS HD3 H 1.11 0 2 155 79 20 LYS HE2 H 2.63 0 2 156 79 20 LYS HE3 H 2.63 0 2 157 79 20 LYS CA C 53.29 0.13 1 158 79 20 LYS CB C 33.22 0.07 1 159 79 20 LYS CG C 24.57 0 1 160 79 20 LYS CD C 27.48 0 1 161 79 20 LYS CE C 41.91 0 1 162 79 20 LYS N N 118.38 0.04 1 163 80 21 GLU H H 8.44 0.01 1 164 80 21 GLU N N 121.05 0.04 1 165 81 22 PHE HA H 4.66 0 1 166 81 22 PHE C C 177.63 0 . 167 81 22 PHE CA C 54.14 0.06 1 168 81 22 PHE CB C 39.78 0 1 169 82 23 GLN H H 7.86 0.01 1 170 82 23 GLN HB2 H 1.78 0 2 171 82 23 GLN HB3 H 1.58 0 2 172 82 23 GLN HG2 H 2.35 0 2 173 82 23 GLN HG3 H 2.35 0 2 174 82 23 GLN C C 171.98 0 . 175 82 23 GLN CA C 53.96 0.01 1 176 82 23 GLN CB C 30.15 0 1 177 82 23 GLN CG C 31.19 0 1 178 82 23 GLN N N 115.12 0.07 1 179 83 24 PHE H H 6.18 0.01 1 180 83 24 PHE HA H 4.18 0 1 181 83 24 PHE HB2 H 2.29 0.01 2 182 83 24 PHE HB3 H 2.87 0.04 2 183 83 24 PHE HD1 H 6.55 0 3 184 83 24 PHE HD2 H 6.55 0 3 185 83 24 PHE C C 174.83 0 . 186 83 24 PHE CA C 57.11 0.07 1 187 83 24 PHE CB C 44.41 0.02 1 188 83 24 PHE N N 116.99 0.04 1 189 84 25 ALA H H 8.85 0.01 1 190 84 25 ALA HA H 4.29 0.01 1 191 84 25 ALA HB H 1.34 0.01 1 192 84 25 ALA C C 176.41 0 . 193 84 25 ALA CA C 51.52 0.05 1 194 84 25 ALA CB C 19.23 0.03 1 195 84 25 ALA N N 124.53 0.03 1 196 85 26 GLU H H 8.46 0.01 1 197 85 26 GLU HA H 4.2 0.01 1 198 85 26 GLU HB2 H 2.15 0.01 2 199 85 26 GLU HB3 H 2.06 0.03 2 200 85 26 GLU HG2 H 2.51 0 2 201 85 26 GLU HG3 H 2.43 0 2 202 85 26 GLU C C 177.91 0 . 203 85 26 GLU CA C 58.76 0.1 1 204 85 26 GLU CB C 29.76 0.1 1 205 85 26 GLU CG C 36.52 0.05 1 206 85 26 GLU N N 120.12 0.02 1 207 86 27 GLY H H 9.22 0.01 1 208 86 27 GLY HA2 H 4.27 0 2 209 86 27 GLY HA3 H 4.52 0 2 210 86 27 GLY C C 174.97 0 . 211 86 27 GLY CA C 45.07 0.01 1 212 86 27 GLY N N 116.31 0.03 1 213 87 28 GLN H H 8.56 0.01 1 214 87 28 GLN HA H 4.81 0.01 1 215 87 28 GLN HB2 H 1.91 0 2 216 87 28 GLN HB3 H 2.08 0 2 217 87 28 GLN HG2 H 2.3 0 2 218 87 28 GLN HG3 H 2.3 0 2 219 87 28 GLN C C 176.01 0 . 220 87 28 GLN CA C 54.14 0 1 221 87 28 GLN CB C 31.21 0 1 222 87 28 GLN CG C 33.64 0 1 223 87 28 GLN N N 119.92 0.05 1 224 88 29 GLY H H 8.26 0.01 1 225 88 29 GLY HA2 H 3.07 0.02 2 226 88 29 GLY HA3 H 3.07 0.02 2 227 88 29 GLY C C 173.45 0 . 228 88 29 GLY CA C 43.73 0.13 1 229 88 29 GLY N N 107.18 11.89 1 230 89 30 VAL H H 7.74 0.01 1 231 89 30 VAL HA H 3.88 0.01 1 232 89 30 VAL HB H 1.76 0 1 233 89 30 VAL HG1 H 0.47 0 . 234 89 30 VAL HG2 H 0.62 0 . 235 89 30 VAL CA C 59.13 0.05 1 236 89 30 VAL N N 121.68 0.03 1 237 90 31 PRO HA H 3.86 0 1 238 90 31 PRO C C 174.63 0 . 239 90 31 PRO CA C 61.81 0.04 1 240 90 31 PRO CB C 31.18 0.09 1 241 90 31 PRO CG C 27.75 0 1 242 91 32 ILE H H 7.57 0.01 1 243 91 32 ILE HA H 3.94 0.01 1 244 91 32 ILE HB H 1.46 0.03 1 245 91 32 ILE HG12 H 1.86 0 2 246 91 32 ILE HG13 H 1.86 0 2 247 91 32 ILE HG2 H 0.7 0 1 248 91 32 ILE HD1 H 1.33 0 1 249 91 32 ILE HD1 H 0.85 0 1 250 91 32 ILE HD1 H 0.24 0 1 251 91 32 ILE CA C 60.71 0.12 1 252 91 32 ILE CB C 39.35 0.09 1 253 91 32 ILE CG1 C 27.18 0.06 1 254 91 32 ILE CG2 C 17.62 0.13 1 255 91 32 ILE CD1 C 13.39 0 1 256 91 32 ILE N N 116.82 0.11 1 257 92 33 ALA H H 8.67 0.02 1 258 92 33 ALA HA H 4.73 0 1 259 92 33 ALA HB H 1.39 0.01 1 260 92 33 ALA C C 176.77 0 . 261 92 33 ALA CA C 50.79 0 1 262 92 33 ALA CB C 21.95 0.07 1 263 92 33 ALA N N 128.96 0.07 1 264 93 34 ASN H H 8.88 0.01 1 265 93 34 ASN HA H 4.42 0.04 1 266 93 34 ASN HB2 H 2.71 0.01 2 267 93 34 ASN HB3 H 2.71 0.01 2 268 93 34 ASN C C 176.37 0 . 269 93 34 ASN CA C 54.7 0 1 270 93 34 ASN CB C 38.19 0.16 1 271 93 34 ASN N N 122.15 0.14 1 272 94 35 GLY H H 8.78 0.01 1 273 94 35 GLY HA2 H 4.05 0 2 274 94 35 GLY HA3 H 3.65 0 2 275 94 35 GLY C C 173.52 0 . 276 94 35 GLY CA C 45.4 0 1 277 94 35 GLY N N 111.72 0.07 1 278 95 36 ILE H H 7.39 0.01 1 279 95 36 ILE HA H 4.64 0.01 1 280 95 36 ILE HB H 2.14 0.01 1 281 95 36 ILE HG12 H 1.24 0 . 282 95 36 ILE HG13 H 1.24 0 . 283 95 36 ILE HG2 H 0.92 0 . 284 95 36 ILE CA C 56.25 0.06 1 285 95 36 ILE CB C 36.31 0.08 1 286 95 36 ILE N N 122.07 0.06 1 287 96 37 PRO HA H 4.56 0 1 288 96 37 PRO HB2 H 2.36 0 2 289 96 37 PRO HB3 H 2.21 0 2 290 96 37 PRO C C 177.06 0 . 291 96 37 PRO CA C 62.78 0.07 1 292 96 37 PRO CB C 33.14 0.02 1 293 96 37 PRO CG C 26.95 0 1 294 97 38 ALA H H 8.64 0.01 1 295 97 38 ALA HA H 3.86 0.07 1 296 97 38 ALA HB H 1.34 0.02 1 297 97 38 ALA C C 179.3 0 . 298 97 38 ALA CA C 55.58 0.07 1 299 97 38 ALA CB C 18.37 0.01 1 300 97 38 ALA N N 123.28 0.09 1 301 98 39 SER H H 7.98 0.01 1 302 98 39 SER HA H 3.83 0.02 1 303 98 39 SER HB2 H 4.09 0 2 304 98 39 SER HB3 H 3.92 0 2 305 98 39 SER C C 175.78 0 . 306 98 39 SER CA C 60.47 0.07 1 307 98 39 SER CB C 62.37 0.05 1 308 98 39 SER N N 107.63 0.02 1 309 99 40 GLU H H 7.82 0.01 1 310 99 40 GLU HA H 4.67 0 1 311 99 40 GLU HB2 H 2.31 0 2 312 99 40 GLU HB3 H 2.49 0 2 313 99 40 GLU CA C 54.76 0.05 1 314 99 40 GLU CB C 29.59 0.03 1 315 99 40 GLU CG C 35.12 0 1 316 99 40 GLU N N 118.58 0.05 1 317 100 41 GLN H H 7.61 0.01 1 318 100 41 GLN HA H 4.3 0 1 319 100 41 GLN HB2 H 1.77 0 2 320 100 41 GLN HB3 H 1.93 0 2 321 100 41 GLN HG2 H 2.46 0 2 322 100 41 GLN HG3 H 2.46 0 2 323 100 41 GLN C C 173.2 0 . 324 100 41 GLN CA C 55.57 0.16 1 325 100 41 GLN CB C 27.06 0.04 1 326 100 41 GLN CG C 32.85 0 1 327 100 41 GLN N N 120.24 0.03 1 328 101 42 LYS H H 8.09 0.01 1 329 101 42 LYS HA H 5.32 0.01 1 330 101 42 LYS HB2 H 2.01 0.01 2 331 101 42 LYS HB3 H 2.01 0.01 2 332 101 42 LYS HG2 H 1.41 0 2 333 101 42 LYS HG3 H 1.79 0 2 334 101 42 LYS HD2 H 1.31 0 2 335 101 42 LYS HD3 H 1.31 0 2 336 101 42 LYS C C 175.95 0 . 337 101 42 LYS CA C 54.45 0.15 1 338 101 42 LYS CB C 33.82 0.1 1 339 101 42 LYS CG C 23.26 0.26 1 340 101 42 LYS N N 119.59 0.03 1 341 102 43 GLY H H 9.99 0.01 1 342 102 43 GLY HA2 H 4.94 0 2 343 102 43 GLY HA3 H 4.07 0 2 344 102 43 GLY C C 168.81 0 . 345 102 43 GLY CA C 47.82 0.01 1 346 102 43 GLY N N 110.28 0.02 1 347 103 44 TYR H H 8.56 0.01 1 348 103 44 TYR HA H 5.62 0.01 1 349 103 44 TYR HB2 H 2.17 0 2 350 103 44 TYR HB3 H 2.01 0 2 351 103 44 TYR HD1 H 7.08 0 3 352 103 44 TYR HD2 H 7.08 0 3 353 103 44 TYR C C 172.5 0 . 354 103 44 TYR CA C 54.93 0.11 1 355 103 44 TYR CB C 39.39 0.05 1 356 103 44 TYR N N 118.29 0.05 1 357 104 45 TRP H H 9.49 0.01 1 358 104 45 TRP HA H 5.26 0.01 1 359 104 45 TRP HB2 H 3.36 0 2 360 104 45 TRP HB3 H 3.36 0 2 361 104 45 TRP HD1 H 7.32 0 1 362 104 45 TRP HE1 H 10.92 0.01 1 363 104 45 TRP C C 175.71 0 . 364 104 45 TRP CA C 56.21 0.07 1 365 104 45 TRP CB C 32.82 0 1 366 104 45 TRP N N 120.57 0.03 1 367 104 45 TRP NE1 N 130.79 0.08 1 368 105 46 TYR H H 10.42 0.01 1 369 105 46 TYR HA H 4.97 0 1 370 105 46 TYR HB2 H 3.37 0.01 2 371 105 46 TYR HB3 H 2.58 0.01 2 372 105 46 TYR HD1 H 7.25 0 3 373 105 46 TYR HD2 H 7.25 0 3 374 105 46 TYR C C 173.74 0 . 375 105 46 TYR CA C 55.59 0 1 376 105 46 TYR CB C 43.07 0.1 1 377 105 46 TYR N N 125.77 0.08 1 378 106 47 ARG H H 8.2 0.01 1 379 106 47 ARG N N 131.23 0.04 1 380 107 48 HIS HB2 H 3.52 0 2 381 107 48 HIS HB3 H 3.2 0 2 382 107 48 HIS HD2 H 7.02 0 1 383 107 48 HIS C C 174.16 0 . 384 107 48 HIS CB C 31.15 0.02 1 385 108 49 ASN H H 8.29 0.01 1 386 108 49 ASN HA H 4.51 0.03 1 387 108 49 ASN HB2 H 2.63 0 2 388 108 49 ASN HB3 H 2.63 0 2 389 108 49 ASN C C 176.41 0 . 390 108 49 ASN CA C 53.36 0.2 1 391 108 49 ASN CB C 38.71 0.16 1 392 108 49 ASN N N 123.89 0.07 1 393 109 50 ARG H H 8.55 0.01 1 394 109 50 ARG HA H 4.38 0 1 395 109 50 ARG HB2 H 1.85 0 2 396 109 50 ARG HB3 H 2.34 0 2 397 109 50 ARG HG2 H 1.68 0 2 398 109 50 ARG HG3 H 1.68 0 2 399 109 50 ARG HD2 H 3.33 0 2 400 109 50 ARG HD3 H 3.33 0 2 401 109 50 ARG C C 175.67 0 . 402 109 50 ARG CA C 56.18 0.12 1 403 109 50 ARG CB C 32.47 0.02 1 404 109 50 ARG CG C 27.43 0 1 405 109 50 ARG CD C 41.81 0 1 406 109 50 ARG N N 122.04 0.02 1 407 110 51 ARG H H 8.38 0.01 1 408 110 51 ARG HA H 4.42 0 1 409 110 51 ARG HB2 H 1.76 0 2 410 110 51 ARG HB3 H 1.86 0 2 411 110 51 ARG HD2 H 3.21 0 2 412 110 51 ARG HD3 H 3.21 0 2 413 110 51 ARG C C 175.67 0 . 414 110 51 ARG CA C 56.2 0 1 415 110 51 ARG CB C 31.58 0.03 1 416 110 51 ARG CG C 27.21 0 1 417 110 51 ARG N N 121.47 0.06 1 418 111 52 SER H H 8.34 0.01 1 419 111 52 SER HA H 4.78 0.01 1 420 111 52 SER HB2 H 3.7 0 2 421 111 52 SER HB3 H 3.9 0 2 422 111 52 SER CA C 57.85 0 1 423 111 52 SER CB C 64.64 0.02 1 424 111 52 SER N N 116.34 0.04 1 425 112 53 PHE H H 8.46 0.01 1 426 112 53 PHE HA H 4.85 0.01 1 427 112 53 PHE HB2 H 3.07 0.03 2 428 112 53 PHE HB3 H 3.14 0.02 2 429 112 53 PHE HD1 H 7.18 0 3 430 112 53 PHE HD2 H 7.18 0 3 431 112 53 PHE C C 173.95 0 . 432 112 53 PHE CA C 56.64 0.15 1 433 112 53 PHE CB C 40.68 0.07 1 434 112 53 PHE N N 121.29 0.04 1 435 113 54 LYS H H 8.33 0.01 1 436 113 54 LYS HA H 4.83 0.01 1 437 113 54 LYS HB2 H 1.67 0.01 2 438 113 54 LYS HB3 H 1.77 0.02 2 439 113 54 LYS HG2 H 1.35 0.01 2 440 113 54 LYS HG3 H 1.35 0.01 2 441 113 54 LYS HE2 H 2.94 0 2 442 113 54 LYS HE3 H 2.94 0 2 443 113 54 LYS C C 176.82 0 . 444 113 54 LYS CA C 55.43 0.07 1 445 113 54 LYS CB C 33.65 0.14 1 446 113 54 LYS CG C 24.75 0.11 1 447 113 54 LYS CD C 29.25 0 1 448 113 54 LYS CE C 42.21 0 1 449 113 54 LYS N N 122.33 0.04 1 450 114 55 THR H H 8.51 0.01 1 451 114 55 THR HA H 4.65 0.01 1 452 114 55 THR HB H 4.57 0.01 1 453 114 55 THR HG1 H 3.85 0 1 454 114 55 THR HG2 H 1.28 0 . 455 114 55 THR CB C 68.44 0.05 1 456 114 55 THR N N 116.08 0.04 1 457 115 56 PRO HA H 4.39 0 1 458 115 56 PRO HB2 H 2.4 0.01 2 459 115 56 PRO HB3 H 1.97 0.01 2 460 115 56 PRO HG2 H 2.13 0 2 461 115 56 PRO HG3 H 2.05 0 2 462 115 56 PRO C C 176.85 0 . 463 115 56 PRO CA C 65.18 0.1 1 464 115 56 PRO CB C 31.59 0.06 1 465 115 56 PRO CG C 27.72 0 1 466 116 57 ASP H H 7.99 0.01 1 467 116 57 ASP HA H 4.6 0 1 468 116 57 ASP HB2 H 2.84 0.01 2 469 116 57 ASP HB3 H 2.68 0.01 2 470 116 57 ASP C C 176.77 0 . 471 116 57 ASP CA C 53.47 0.25 1 472 116 57 ASP CB C 40.3 0.09 1 473 116 57 ASP N N 114.38 0.03 1 474 117 58 GLY H H 8.26 0.01 1 475 117 58 GLY HA2 H 3.7 0.01 2 476 117 58 GLY HA3 H 4.17 0 2 477 117 58 GLY C C 174.53 0 . 478 117 58 GLY CA C 45.7 0.03 1 479 117 58 GLY N N 108.54 0.03 1 480 118 59 GLN H H 7.82 0.01 1 481 118 59 GLN HA H 4.36 0 1 482 118 59 GLN HB2 H 2.12 0.03 2 483 118 59 GLN HB3 H 1.99 0 2 484 118 59 GLN HG2 H 2.22 0 2 485 118 59 GLN HG3 H 2.22 0 2 486 118 59 GLN CA C 55.53 0.03 1 487 118 59 GLN CB C 29.55 0.19 1 488 118 59 GLN CG C 34.07 0 1 489 118 59 GLN N N 119.47 0.05 1 490 119 60 GLN H H 8.5 0.01 1 491 119 60 GLN HA H 4.55 0 1 492 119 60 GLN HB2 H 2.04 0.03 2 493 119 60 GLN HB3 H 1.91 0 2 494 119 60 GLN HG2 H 2.24 0.01 2 495 119 60 GLN HG3 H 2.24 0.01 2 496 119 60 GLN C C 175.61 0 . 497 119 60 GLN CA C 55.64 0.06 1 498 119 60 GLN CB C 29.64 0.13 1 499 119 60 GLN CG C 33.87 0.05 1 500 119 60 GLN N N 121.05 0.02 1 501 120 61 LYS H H 8.64 0.01 1 502 120 61 LYS HA H 4.43 0 1 503 120 61 LYS HB2 H 1.59 0.03 2 504 120 61 LYS HB3 H 1.38 0.05 2 505 120 61 LYS HG2 H 1.32 0 2 506 120 61 LYS HG3 H 1.28 0 2 507 120 61 LYS C C 174.21 0 . 508 120 61 LYS CA C 55.32 0.09 1 509 120 61 LYS CB C 33.88 0.1 1 510 120 61 LYS CG C 24.61 0.13 1 511 120 61 LYS CD C 28.93 0 1 512 120 61 LYS CE C 42.38 0 1 513 120 61 LYS N N 124.89 0.07 1 514 121 62 GLN H H 8.45 0.01 1 515 121 62 GLN HA H 4.43 0 1 516 121 62 GLN HB2 H 1.94 0 2 517 121 62 GLN HB3 H 2.08 0 2 518 121 62 GLN HG2 H 2.51 0.21 2 519 121 62 GLN HG3 H 2.51 0.21 2 520 121 62 GLN C C 175.64 0 . 521 121 62 GLN CA C 55.58 0 1 522 121 62 GLN CB C 29.7 0 1 523 121 62 GLN CG C 33.73 0.17 1 524 121 62 GLN N N 122.04 0.05 1 525 122 63 LEU H H 8.36 0.01 1 526 122 63 LEU HA H 4.58 0.01 1 527 122 63 LEU HB2 H 1.63 0.04 2 528 122 63 LEU HB3 H 1.46 0.03 2 529 122 63 LEU HG H 1.49 0 1 530 122 63 LEU HD1 H 0.9 0 . 531 122 63 LEU HD2 H 0.86 0 2 532 122 63 LEU C C 176.9 0 . 533 122 63 LEU CA C 53.99 0.1 1 534 122 63 LEU CB C 43.36 0.11 1 535 122 63 LEU CG C 26.36 0.76 1 536 122 63 LEU CD1 C 23.13 0 . 537 122 63 LEU N N 125.23 0.07 1 538 123 64 LEU H H 8.39 0.01 1 539 123 64 LEU HA H 4.56 0 1 540 123 64 LEU HB2 H 1.64 0.09 2 541 123 64 LEU HB3 H 1.64 0.09 2 542 123 64 LEU CB C 40.42 0 1 543 123 64 LEU N N 123.81 0.03 1 544 124 65 PRO HA H 4.03 0.01 1 545 124 65 PRO HB2 H 1.51 0 2 546 124 65 PRO HB3 H 1.59 0 2 547 124 65 PRO C C 176.33 0 . 548 124 65 PRO CA C 61.96 0.12 1 549 124 65 PRO CB C 30.06 0 1 550 124 65 PRO CG C 26.27 0 1 551 125 66 ARG H H 8.24 0.02 1 552 125 66 ARG HA H 4.1 0.01 1 553 125 66 ARG HB2 H 1.94 0 2 554 125 66 ARG HB3 H 1.94 0 2 555 125 66 ARG HD2 H 2.96 0 2 556 125 66 ARG HD3 H 2.96 0 2 557 125 66 ARG C C 173.73 0 . 558 125 66 ARG CA C 56.52 0.17 1 559 125 66 ARG CB C 29.3 0 1 560 125 66 ARG CG C 26.61 0 1 561 125 66 ARG CD C 43.98 0 1 562 125 66 ARG N N 123.53 0.06 1 563 126 67 TRP H H 9.24 0.01 1 564 126 67 TRP HA H 4.62 0.02 1 565 126 67 TRP HB2 H 2.85 0 2 566 126 67 TRP HB3 H 2.57 0 2 567 126 67 TRP HD1 H 7.02 0 1 568 126 67 TRP C C 173.92 0 . 569 126 67 TRP CA C 54.98 0.06 1 570 126 67 TRP CB C 31.4 0.03 1 571 126 67 TRP N N 128.74 0.08 1 572 127 68 TYR H H 8.89 0.01 1 573 127 68 TYR HA H 4.46 0.01 1 574 127 68 TYR HB2 H 2.57 0.01 2 575 127 68 TYR HB3 H 2.81 0 2 576 127 68 TYR C C 172.2 0 . 577 127 68 TYR CA C 57.68 0.13 1 578 127 68 TYR CB C 40.47 0 1 579 127 68 TYR N N 122.52 0.02 1 580 128 69 PHE H H 6.61 0.03 1 581 128 69 PHE HA H 4.61 0 1 582 128 69 PHE HB2 H 3.5 0.02 2 583 128 69 PHE HB3 H 2.73 0 2 584 128 69 PHE HD1 H 7.75 0 3 585 128 69 PHE HD2 H 7.75 0 3 586 128 69 PHE C C 177.31 0 . 587 128 69 PHE CA C 59.64 0 1 588 128 69 PHE CB C 39.47 0.1 1 589 128 69 PHE N N 117.22 0.05 1 590 129 70 TYR H H 8.82 0.01 1 591 129 70 TYR HB2 H 2.89 0 2 592 129 70 TYR HB3 H 2.89 0 2 593 129 70 TYR C C 175.32 0 . 594 129 70 TYR CA C 57.02 0 1 595 129 70 TYR CB C 44.26 0.01 1 596 129 70 TYR N N 125.08 0.03 1 597 130 71 TYR H H 9.21 0.01 1 598 130 71 TYR HD1 H 6.69 0 3 599 130 71 TYR HD2 H 6.69 0 3 600 130 71 TYR C C 175.29 0 . 601 130 71 TYR CA C 57.07 0 1 602 130 71 TYR CB C 39.17 0.12 1 603 130 71 TYR N N 123.38 0.02 1 604 131 72 LEU H H 8.17 0.01 1 605 131 72 LEU HA H 4.49 0.01 1 606 131 72 LEU HB2 H 2.16 0.01 2 607 131 72 LEU HB3 H 1.49 0.02 2 608 131 72 LEU HG H 1.82 0.01 1 609 131 72 LEU C C 176.57 0 . 610 131 72 LEU CA C 57.23 0.02 1 611 131 72 LEU CB C 44.48 0.07 1 612 131 72 LEU CG C 27.43 0 1 613 131 72 LEU CD1 C 25.54 0 . 614 131 72 LEU N N 128.41 0.04 1 615 132 73 GLY H H 9.86 0.04 1 616 132 73 GLY HA2 H 4.68 0 2 617 132 73 GLY HA3 H 4.52 0.01 2 618 132 73 GLY C C 173.89 0 . 619 132 73 GLY CA C 45.45 0.03 1 620 132 73 GLY N N 115.44 0.09 1 621 133 74 THR H H 8.39 0.01 1 622 133 74 THR HA H 5.18 0.01 1 623 133 74 THR HB H 4.53 0.01 1 624 133 74 THR HG2 H 1.32 0.01 . 625 133 74 THR C C 174.81 0 . 626 133 74 THR CA C 59.96 0.06 1 627 133 74 THR CB C 73.67 0.1 1 628 133 74 THR CG2 C 21.68 0 1 629 133 74 THR N N 110.27 0.04 1 630 134 75 GLY H H 9.31 0.03 1 631 134 75 GLY N N 107.59 0.05 1 632 135 76 PRO HA H 3.31 0.01 1 633 135 76 PRO HB2 H 1.64 0.01 2 634 135 76 PRO HB3 H 1.64 0.01 2 635 135 76 PRO HG2 H 0.69 0 2 636 135 76 PRO HG3 H 0.69 0 2 637 135 76 PRO C C 176.39 0 . 638 135 76 PRO CA C 64.11 0.11 1 639 135 76 PRO CB C 32.05 0.21 1 640 135 76 PRO CG C 25.95 0 1 641 136 77 HIS H H 7.64 0.01 1 642 136 77 HIS HA H 4.83 0.01 1 643 136 77 HIS HB2 H 1.78 0.02 2 644 136 77 HIS HB3 H 2.88 0.01 2 645 136 77 HIS HD2 H 6.24 0 1 646 136 77 HIS CA C 53.95 0.08 1 647 136 77 HIS CB C 28.59 0.11 1 648 136 77 HIS N N 115.3 0.06 1 649 137 78 ALA H H 6.75 0.01 1 650 137 78 ALA HA H 3.72 0.01 1 651 137 78 ALA HB H 1.3 0.02 1 652 137 78 ALA C C 177.31 0 . 653 137 78 ALA CA C 55.51 0.04 1 654 137 78 ALA CB C 18.79 0.02 1 655 137 78 ALA N N 123.61 0.04 1 656 138 79 GLY H H 8.42 0.01 1 657 138 79 GLY HA2 H 4.14 0.01 2 658 138 79 GLY HA3 H 3.62 0 2 659 138 79 GLY C C 174.53 0 . 660 138 79 GLY CA C 44.8 0.12 1 661 138 79 GLY N N 101.34 0.03 1 662 139 80 ALA H H 7.41 0.01 1 663 139 80 ALA HA H 4.38 0.01 1 664 139 80 ALA HB H 1.65 0.01 1 665 139 80 ALA C C 177.56 0 . 666 139 80 ALA CA C 51.94 0.11 1 667 139 80 ALA CB C 20.31 0.02 1 668 139 80 ALA N N 123.2 0.08 1 669 140 81 SER H H 8.41 0.01 1 670 140 81 SER HA H 4.31 0.01 1 671 140 81 SER HB2 H 3.64 0.05 2 672 140 81 SER HB3 H 3.77 0 2 673 140 81 SER C C 171.39 0 . 674 140 81 SER CA C 57.32 0 1 675 140 81 SER CB C 63.8 0.09 1 676 140 81 SER N N 118.9 0.06 1 677 141 82 TYR H H 8.51 0.01 1 678 141 82 TYR HD1 H 6.82 0 3 679 141 82 TYR HD2 H 6.82 0 3 680 141 82 TYR CB C 38.68 0 1 681 141 82 TYR N N 123.03 0.02 1 682 142 83 GLY HA2 H 3.86 0 . 683 142 83 GLY HA3 H 2.71 0 2 684 142 83 GLY C C 174.36 0 . 685 142 83 GLY CA C 44.78 0 1 686 143 84 ASP H H 7.51 0.01 1 687 143 84 ASP HA H 4.31 0.01 1 688 143 84 ASP HB2 H 2.59 0.03 2 689 143 84 ASP HB3 H 2.18 0 2 690 143 84 ASP C C 177.29 0 . 691 143 84 ASP CA C 55.63 0.05 1 692 143 84 ASP CB C 40.88 0.02 1 693 143 84 ASP N N 122.98 0.02 1 694 144 85 SER H H 8.69 0.01 1 695 144 85 SER HA H 4.54 0.08 1 696 144 85 SER HB2 H 3.97 0.03 2 697 144 85 SER HB3 H 3.89 0.03 2 698 144 85 SER C C 173.91 0 . 699 144 85 SER CA C 58.39 0.05 1 700 144 85 SER CB C 62.3 0.08 1 701 144 85 SER N N 118.66 0.02 1 702 145 86 ILE H H 8.53 0.01 1 703 145 86 ILE HA H 4.09 0.01 1 704 145 86 ILE HB H 1.06 0.01 1 705 145 86 ILE HG12 H 1.3 0 2 706 145 86 ILE HG13 H 0.81 0.01 2 707 145 86 ILE HG2 H 0.45 0 . 708 145 86 ILE HD1 H 0.58 0 . 709 145 86 ILE CA C 60.39 0.1 1 710 145 86 ILE CB C 42.26 0.11 1 711 145 86 ILE CG1 C 26.89 0.08 1 712 145 86 ILE CG2 C 16.82 0 1 713 145 86 ILE CD1 C 14.5 0 1 714 145 86 ILE N N 131.51 0.05 1 715 146 87 GLU H H 8.64 0.01 1 716 146 87 GLU HA H 4.17 0.02 1 717 146 87 GLU HB2 H 1.41 0 2 718 146 87 GLU HB3 H 1.41 0 2 719 146 87 GLU HG2 H 2.28 0 2 720 146 87 GLU HG3 H 2.28 0 2 721 146 87 GLU C C 177.36 0 . 722 146 87 GLU CA C 57.89 0.52 1 723 146 87 GLU CB C 29.27 0.1 1 724 146 87 GLU CG C 36.19 0 1 725 146 87 GLU N N 128.81 0.04 1 726 147 88 GLY H H 9.23 0.01 1 727 147 88 GLY HA2 H 4.07 0 2 728 147 88 GLY HA3 H 3.27 0 2 729 147 88 GLY C C 171.71 0 . 730 147 88 GLY CA C 45.82 0.01 1 731 147 88 GLY N N 113.61 0.05 1 732 148 89 VAL H H 7.49 0.01 1 733 148 89 VAL HA H 5.39 0.01 1 734 148 89 VAL HB H 1.82 0.02 1 735 148 89 VAL HG1 H -0.2 0 2 736 148 89 VAL HG2 H 0.49 0.02 . 737 148 89 VAL C C 175.92 0 . 738 148 89 VAL CA C 60.97 0.06 1 739 148 89 VAL CB C 34.62 0.1 1 740 148 89 VAL CG1 C 20.12 0.21 2 741 148 89 VAL CG2 C 24 0 . 742 148 89 VAL N N 116.65 0.06 1 743 149 90 PHE H H 9.64 0.01 1 744 149 90 PHE HA H 4.99 0.01 1 745 149 90 PHE HB2 H 3.39 0.01 2 746 149 90 PHE HB3 H 2.97 0.01 2 747 149 90 PHE HD1 H 7.48 0 3 748 149 90 PHE HD2 H 7.48 0 3 749 149 90 PHE HE1 H 7.67 0 3 750 149 90 PHE HE2 H 7.67 0 3 751 149 90 PHE C C 174.9 0 . 752 149 90 PHE CA C 57.79 0.13 1 753 149 90 PHE CB C 43.46 0.07 1 754 149 90 PHE N N 129.73 0.05 1 755 150 91 TRP H H 7.79 0.01 1 756 150 91 TRP HA H 4.84 0.01 1 757 150 91 TRP HB2 H 2.78 0.05 2 758 150 91 TRP HB3 H 2.47 0.03 2 759 150 91 TRP HD1 H 7.21 0.05 1 760 150 91 TRP HE1 H 11.13 0.01 1 761 150 91 TRP C C 175.53 0 . 762 150 91 TRP CA C 58.24 0 1 763 150 91 TRP CB C 28.88 0.07 1 764 150 91 TRP N N 131.22 0.04 1 765 150 91 TRP NE1 N 132.91 0.01 1 766 151 92 VAL H H 9.37 0.01 1 767 151 92 VAL HA H 5.1 0.01 1 768 151 92 VAL HB H 2.21 0.01 1 769 151 92 VAL HG1 H 1.16 0.02 . 770 151 92 VAL HG2 H 0.61 0 2 771 151 92 VAL C C 174.48 0 . 772 151 92 VAL CA C 59.9 0.12 1 773 151 92 VAL CB C 36.35 0.1 1 774 151 92 VAL CG1 C 20.43 0 2 775 151 92 VAL CG2 C 22.51 2.12 2 776 151 92 VAL N N 115.5 0.05 1 777 152 93 ALA H H 8.83 0.01 1 778 152 93 ALA HA H 4.65 0.01 1 779 152 93 ALA HB H 1.33 0.01 1 780 152 93 ALA C C 176.81 0 . 781 152 93 ALA CA C 52.87 0 1 782 152 93 ALA CB C 21.28 0.18 1 783 152 93 ALA N N 118.8 0.03 1 784 153 94 ASN H H 8.4 0.01 1 785 153 94 ASN HA H 4.59 0.01 1 786 153 94 ASN HB2 H 3.05 0.01 2 787 153 94 ASN HB3 H 2.72 0.04 2 788 153 94 ASN C C 177.39 0 . 789 153 94 ASN CA C 53.61 0.13 1 790 153 94 ASN CB C 40.94 0.04 1 791 153 94 ASN N N 120.71 0.04 1 792 154 95 SER H H 9.41 0.01 1 793 154 95 SER HA H 4.3 0.01 1 794 154 95 SER HB2 H 4.02 0 2 795 154 95 SER HB3 H 4 0 2 796 154 95 SER C C 175.32 0 . 797 154 95 SER CA C 61.67 0.13 1 798 154 95 SER CB C 62.85 0.45 1 799 154 95 SER N N 124.91 0.06 1 800 155 96 GLN H H 9.15 0.01 1 801 155 96 GLN HA H 4.29 0 1 802 155 96 GLN HB2 H 1.62 0.02 2 803 155 96 GLN HB3 H 2.17 0 2 804 155 96 GLN HG2 H 2.34 0.01 2 805 155 96 GLN HG3 H 2.34 0.01 2 806 155 96 GLN C C 175.95 0 . 807 155 96 GLN CA C 55.92 0.01 1 808 155 96 GLN CB C 29.37 0.11 1 809 155 96 GLN CG C 34.67 0 1 810 155 96 GLN N N 117.97 0.03 1 811 156 97 ALA H H 7.8 0.01 1 812 156 97 ALA HA H 4.27 0.02 1 813 156 97 ALA HB H 1.3 0.02 1 814 156 97 ALA CA C 52.12 0.15 1 815 156 97 ALA CB C 20.57 0.01 1 816 156 97 ALA N N 122.13 0.06 1 817 157 98 ASP H H 9.03 0.02 1 818 157 98 ASP HA H 4.75 0.01 1 819 157 98 ASP HB2 H 2.9 0.01 2 820 157 98 ASP HB3 H 2.6 0.01 2 821 157 98 ASP CA C 52.52 0.02 1 822 157 98 ASP CB C 40.5 0.17 1 823 157 98 ASP N N 121.31 0.04 1 824 158 99 THR H H 8.1 0.01 1 825 158 99 THR HA H 3.62 0 1 826 158 99 THR HB H 3.77 0 1 827 158 99 THR HG2 H 0.23 0.02 . 828 158 99 THR C C 173.06 0 . 829 158 99 THR CA C 62.73 0.08 1 830 158 99 THR CB C 67.62 0.06 1 831 158 99 THR N N 114.58 0.04 1 832 159 100 ASN H H 8.34 0.01 1 833 159 100 ASN HA H 4.66 0 1 834 159 100 ASN HB2 H 2.94 0.01 2 835 159 100 ASN HB3 H 2.84 0.03 2 836 159 100 ASN C C 175.14 0 . 837 159 100 ASN CA C 54.11 0 1 838 159 100 ASN CB C 39.42 0.11 1 839 159 100 ASN N N 116.57 0.04 1 840 160 101 THR H H 7.17 0.01 1 841 160 101 THR HA H 4.59 0.01 1 842 160 101 THR HB H 3.98 0.01 1 843 160 101 THR HG1 H 4.56 0.04 1 844 160 101 THR HG2 H 1.16 0 . 845 160 101 THR CA C 59.5 0.02 1 846 160 101 THR CB C 71.29 0.17 1 847 160 101 THR CG2 C 23.57 0 1 848 160 101 THR N N 111.11 0.05 1 849 162 103 SER HB2 H 4.16 0 2 850 162 103 SER HB3 H 3.98 0 2 851 162 103 SER C C 174.75 0 . 852 162 103 SER CA C 59.25 0 1 853 162 103 SER CB C 65.24 0.01 1 854 163 104 ASP H H 9.11 0.01 1 855 163 104 ASP HA H 4.82 0 1 856 163 104 ASP HB2 H 2.73 0.01 2 857 163 104 ASP HB3 H 2.51 0.01 2 858 163 104 ASP C C 175.47 0 . 859 163 104 ASP CA C 53.61 0.13 1 860 163 104 ASP CB C 40.68 0.07 1 861 163 104 ASP N N 126.17 0.09 1 862 164 105 ILE H H 7.85 0.02 1 863 164 105 ILE HA H 3.97 0.01 1 864 164 105 ILE HB H 1.32 0.01 1 865 164 105 ILE HG12 H 0.99 0 2 866 164 105 ILE HG13 H 0.85 0 2 867 164 105 ILE HG2 H 0.69 0.12 1 868 164 105 ILE HD1 H 0.58 0 1 869 164 105 ILE C C 175.78 0 . 870 164 105 ILE CA C 60.63 0.11 1 871 164 105 ILE CB C 38.23 0.14 1 872 164 105 ILE CG1 C 27.49 0 1 873 164 105 ILE CG2 C 17.14 0.1 1 874 164 105 ILE N N 122.95 0.03 1 875 165 106 VAL H H 7.82 0.01 1 876 165 106 VAL HA H 4.37 0.01 1 877 165 106 VAL HB H 2.33 0.01 1 878 165 106 VAL HG1 H 1.14 0 . 879 165 106 VAL HG2 H 1.11 0.01 . 880 165 106 VAL C C 173.94 0 . 881 165 106 VAL CA C 61.44 0.11 1 882 165 106 VAL CB C 32.85 0.18 1 883 165 106 VAL CG1 C 21.65 0 2 884 165 106 VAL CG2 C 19.84 0 2 885 165 106 VAL N N 123.48 0.04 1 886 166 107 GLU H H 8.57 0.01 1 887 166 107 GLU HA H 4.04 0.01 1 888 166 107 GLU HB2 H 2.05 0.05 2 889 166 107 GLU HB3 H 2.05 0.05 2 890 166 107 GLU HG2 H 1.69 0 2 891 166 107 GLU HG3 H 1.69 0 2 892 166 107 GLU C C 176.38 0 . 893 166 107 GLU CA C 56.46 0.06 1 894 166 107 GLU CB C 30.95 0.15 1 895 166 107 GLU N N 122.35 0.05 1 896 167 108 ARG H H 8.24 0.01 1 897 167 108 ARG HA H 4.49 0.09 1 898 167 108 ARG HB2 H 2.14 0 2 899 167 108 ARG HB3 H 2.14 0 2 900 167 108 ARG HG2 H 1.79 0 2 901 167 108 ARG HG3 H 1.79 0 2 902 167 108 ARG CA C 55.44 0.04 1 903 167 108 ARG CB C 31.31 0 1 904 167 108 ARG N N 115.45 0.15 1 905 168 109 ASP H H 8.46 0.01 1 906 168 109 ASP HB2 H 2.52 0 2 907 168 109 ASP HB3 H 2.52 0 2 908 168 109 ASP N N 126.95 0.07 1 909 169 110 PRO HA H 4.29 0.01 1 910 169 110 PRO HB2 H 1.69 0 2 911 169 110 PRO HB3 H 1.54 0.02 2 912 169 110 PRO HG2 H 1.2 0 2 913 169 110 PRO HG3 H 1.2 0 2 914 169 110 PRO C C 177.28 0 . 915 169 110 PRO CA C 63.54 0.08 1 916 169 110 PRO CB C 32.05 0.13 1 917 169 110 PRO CG C 26.07 0 1 918 170 111 SER H H 8.22 0.01 1 919 170 111 SER HA H 4.21 0 1 920 170 111 SER HB2 H 3.87 0 2 921 170 111 SER HB3 H 3.81 0 2 922 170 111 SER C C 174.71 0 . 923 170 111 SER CA C 60.41 0.14 1 924 170 111 SER CB C 63.15 0.08 1 925 170 111 SER N N 114.43 0.03 1 926 171 112 SER H H 7.67 0.01 1 927 171 112 SER HA H 4.54 0.01 1 928 171 112 SER HB2 H 3.64 0.01 2 929 171 112 SER HB3 H 3.64 0.01 2 930 171 112 SER C C 173.74 0 . 931 171 112 SER CA C 58.43 0.2 1 932 171 112 SER CB C 65.41 0.1 1 933 171 112 SER N N 114.23 0.08 1 934 172 113 HIS H H 7.92 0.01 1 935 172 113 HIS HA H 4.83 0.01 1 936 172 113 HIS HB2 H 3.09 0.01 2 937 172 113 HIS HB3 H 2.71 0 2 938 172 113 HIS C C 174.52 0 . 939 172 113 HIS CA C 56.14 0 1 940 172 113 HIS CB C 33.73 0.02 1 941 172 113 HIS N N 119.59 0.09 1 942 173 114 GLU H H 8.72 0.01 1 943 173 114 GLU HA H 4.33 0.01 1 944 173 114 GLU HB2 H 2.03 0.05 2 945 173 114 GLU HB3 H 2.03 0.05 2 946 173 114 GLU HG2 H 2.35 0 2 947 173 114 GLU HG3 H 2.35 0 2 948 173 114 GLU C C 176.28 0 . 949 173 114 GLU CA C 55.51 0.04 1 950 173 114 GLU CB C 30.93 0.16 1 951 173 114 GLU CG C 36.32 0 1 952 173 114 GLU N N 124.24 0.06 1 953 174 115 ALA H H 8.6 0.01 1 954 174 115 ALA HA H 3.97 0.01 1 955 174 115 ALA HB H 1.09 0.03 1 956 174 115 ALA C C 177.51 0 . 957 174 115 ALA CA C 52.36 0.09 1 958 174 115 ALA CB C 18.52 0.02 1 959 174 115 ALA N N 122.92 0.06 1 960 175 116 ILE H H 9.63 0.01 1 961 175 116 ILE HA H 4.37 0 1 962 175 116 ILE HB H 1.96 0.02 1 963 175 116 ILE CA C 59.24 0.12 1 964 175 116 ILE CB C 39.65 0.04 1 965 175 116 ILE N N 127.35 0.04 1 966 176 117 PRO HA H 4.42 0 1 967 176 117 PRO HB2 H 1.96 0.03 2 968 176 117 PRO HB3 H 1.96 0.03 2 969 176 117 PRO C C 178.65 0 . 970 176 117 PRO CA C 63.4 0.09 1 971 176 117 PRO CB C 32.12 0.07 1 972 176 117 PRO CG C 28.16 0 1 973 177 118 THR H H 8.56 0.01 1 974 177 118 THR HA H 3.83 0 1 975 177 118 THR HB H 3.83 0.02 1 976 177 118 THR HG1 H 5.42 0 1 977 177 118 THR HG2 H 0.65 0 . 978 177 118 THR C C 173.58 0 . 979 177 118 THR CA C 65.89 0.01 1 980 177 118 THR CB C 68.12 0.09 1 981 177 118 THR CG2 C 25.02 0 . 982 177 118 THR N N 126.88 0.06 1 983 178 119 ARG H H 9.02 0.01 1 984 178 119 ARG HA H 4.24 0.01 1 985 178 119 ARG HB2 H 1.76 0 2 986 178 119 ARG HB3 H 1.76 0 2 987 178 119 ARG HG2 H 1.75 0 2 988 178 119 ARG HG3 H 1.71 0 2 989 178 119 ARG HD2 H 3.37 0 2 990 178 119 ARG HD3 H 3.34 0 2 991 178 119 ARG C C 172.83 0 . 992 178 119 ARG CA C 54.48 0.09 1 993 178 119 ARG CB C 33.43 0.13 1 994 178 119 ARG CG C 26.93 0.14 1 995 178 119 ARG CD C 43.59 0.05 1 996 178 119 ARG N N 130.52 0.08 1 997 179 120 PHE H H 8.47 0.01 1 998 179 120 PHE HA H 4.96 0.01 1 999 179 120 PHE HB2 H 3.28 0 2 1000 179 120 PHE HB3 H 3.43 0 2 1001 179 120 PHE HD1 H 6.96 0 3 1002 179 120 PHE HD2 H 6.96 0 3 1003 179 120 PHE HE1 H 7.04 0 3 1004 179 120 PHE HE2 H 7.04 0 3 1005 179 120 PHE C C 175.7 0 . 1006 179 120 PHE CA C 55.72 0.04 1 1007 179 120 PHE CB C 43.22 0.03 1 1008 179 120 PHE N N 116.59 0.04 1 1009 180 121 ALA H H 8.66 0.01 1 1010 180 121 ALA HA H 4.73 0.01 1 1011 180 121 ALA HB H 1.4 0 1 1012 180 121 ALA CA C 51.02 0 1 1013 180 121 ALA N N 123.4 0.06 1 1014 181 122 PRO HA H 4.41 0 1 1015 181 122 PRO HB2 H 2.13 0 2 1016 181 122 PRO HB3 H 2.13 0 2 1017 181 122 PRO C C 176.94 0 . 1018 181 122 PRO CA C 64.27 0 1 1019 181 122 PRO CB C 31.71 0.15 1 1020 181 122 PRO CG C 27.4 0 1 1021 182 123 GLY H H 8.9 0.02 1 1022 182 123 GLY HA2 H 4.25 0 2 1023 182 123 GLY HA3 H 3.61 0 2 1024 182 123 GLY C C 174.66 0 . 1025 182 123 GLY CA C 44.79 0 1 1026 182 123 GLY N N 112.35 0.07 1 1027 183 124 THR H H 7.54 0.01 1 1028 183 124 THR HA H 3.91 0.03 1 1029 183 124 THR HB H 3.93 0.04 1 1030 183 124 THR HG1 H 4.54 0 1 1031 183 124 THR HG2 H 0.7 0 . 1032 183 124 THR C C 173.89 0 . 1033 183 124 THR CB C 68.99 0.14 1 1034 183 124 THR N N 117.53 0.05 1 1035 184 125 VAL H H 8.13 0.01 1 1036 184 125 VAL HA H 4.06 0.01 1 1037 184 125 VAL HB H 1.92 0.01 1 1038 184 125 VAL HG1 H 0.93 0 . 1039 184 125 VAL HG2 H 0.81 0 . 1040 184 125 VAL C C 175.33 0 . 1041 184 125 VAL CA C 61.43 0.13 1 1042 184 125 VAL CB C 32.55 0.17 1 1043 184 125 VAL CG1 C 20.93 0 . 1044 184 125 VAL CG2 C 20.93 0 . 1045 184 125 VAL N N 129.43 0.07 1 1046 185 126 LEU H H 8.52 0.01 1 1047 185 126 LEU HA H 3.86 0 1 1048 185 126 LEU HB2 H 1.26 0.01 2 1049 185 126 LEU HB3 H 1.51 0.02 2 1050 185 126 LEU HG H 1.17 0 1 1051 185 126 LEU HD1 H 0.87 0 2 1052 185 126 LEU HD2 H 0.73 0 2 1053 185 126 LEU CA C 52.71 0.04 1 1054 185 126 LEU CB C 41.36 0.06 1 1055 185 126 LEU CD1 C 25.44 0 2 1056 185 126 LEU CD2 C 24.86 0 2 1057 185 126 LEU N N 130.71 0.07 1 1058 187 128 GLN HA H 4.09 0 1 1059 187 128 GLN HB2 H 1.92 0.01 2 1060 187 128 GLN HB3 H 1.92 0.01 2 1061 187 128 GLN HG2 H 2.46 0 2 1062 187 128 GLN HG3 H 2.37 0 2 1063 187 128 GLN C C 177.19 0 . 1064 187 128 GLN CA C 56.96 0.03 1 1065 187 128 GLN CB C 28.66 0.16 1 1066 187 128 GLN CG C 33.98 0 1 1067 188 129 GLY H H 8.86 0.01 1 1068 188 129 GLY HA2 H 3.77 0.02 2 1069 188 129 GLY HA3 H 2.71 0 2 1070 188 129 GLY C C 172.59 0 . 1071 188 129 GLY CA C 45.14 0.09 1 1072 188 129 GLY N N 108.94 0.03 1 1073 189 130 PHE H H 7.33 0.01 1 1074 189 130 PHE HA H 5.36 0.01 1 1075 189 130 PHE HB2 H 2.63 0.01 2 1076 189 130 PHE HB3 H 2.54 0.01 2 1077 189 130 PHE HD1 H 6.69 0 3 1078 189 130 PHE HD2 H 6.69 0 3 1079 189 130 PHE C C 174.33 0 . 1080 189 130 PHE CA C 56.38 0.06 1 1081 189 130 PHE CB C 41.57 0.02 1 1082 189 130 PHE N N 117.95 0.04 1 1083 190 131 TYR H H 9.28 0.01 1 1084 190 131 TYR HA H 5.06 0.01 1 1085 190 131 TYR HB2 H 3.03 0.07 2 1086 190 131 TYR HB3 H 2.95 0.03 2 1087 190 131 TYR HD1 H 6.9 0 3 1088 190 131 TYR HD2 H 6.9 0 3 1089 190 131 TYR HE1 H 6.66 0 3 1090 190 131 TYR HE2 H 6.66 0 3 1091 190 131 TYR C C 173.35 0 . 1092 190 131 TYR CA C 56.05 0.06 1 1093 190 131 TYR CB C 41.45 0.02 1 1094 190 131 TYR N N 118.94 0.04 1 1095 191 132 VAL H H 8.83 0.01 1 1096 191 132 VAL HA H 4.17 0.01 1 1097 191 132 VAL HB H 2.01 0.08 1 1098 191 132 VAL HG1 H 1.43 0 . 1099 191 132 VAL C C 175.3 0 . 1100 191 132 VAL CA C 62.59 0.05 1 1101 191 132 VAL CB C 32.17 0.02 1 1102 191 132 VAL CG1 C 27.09 0 . 1103 191 132 VAL N N 123.59 0.08 1 1104 192 133 GLU H H 7.72 0.02 1 1105 192 133 GLU HA H 4.66 0 1 1106 192 133 GLU HB2 H 2.52 0 2 1107 192 133 GLU HB3 H 2.63 0 2 1108 192 133 GLU HG2 H 2.88 0 2 1109 192 133 GLU C C 177.93 0 . 1110 192 133 GLU CA C 57.51 0.02 1 1111 192 133 GLU CB C 30.17 0.02 1 1112 192 133 GLU CG C 35.83 0 1 1113 192 133 GLU N N 116.26 0.05 1 1114 193 134 GLY H H 8.94 0.01 1 1115 193 134 GLY HA2 H 4.17 0.03 2 1116 193 134 GLY HA3 H 4.17 0.03 2 1117 193 134 GLY C C 174.4 0 . 1118 193 134 GLY CA C 45.48 0.01 1 1119 193 134 GLY N N 112.23 0.03 1 1120 194 135 SER H H 8.26 0.01 1 1121 194 135 SER HA H 4.54 0 1 1122 194 135 SER HB2 H 3.87 0 2 1123 194 135 SER HB3 H 4.05 0 2 1124 194 135 SER C C 175.19 0 . 1125 194 135 SER CA C 58.59 0.08 1 1126 194 135 SER CB C 64.34 0.01 1 1127 194 135 SER N N 114.88 0.04 1 1128 195 136 GLY H H 8.61 0.01 1 1129 195 136 GLY HA2 H 3.99 0 2 1130 195 136 GLY HA3 H 3.99 0 2 1131 195 136 GLY C C 173.93 0 . 1132 195 136 GLY CA C 45.45 0.11 1 1133 195 136 GLY N N 110.99 0.02 1 1134 196 137 ARG H H 8.14 0.01 1 1135 196 137 ARG HA H 4.44 0 1 1136 196 137 ARG HB2 H 1.89 0.03 2 1137 196 137 ARG HB3 H 1.73 0.03 2 1138 196 137 ARG HG2 H 1.6 0 2 1139 196 137 ARG HG3 H 1.6 0 2 1140 196 137 ARG HD2 H 3.12 0.01 2 1141 196 137 ARG HD3 H 3.12 0.01 2 1142 196 137 ARG C C 175.55 0 . 1143 196 137 ARG CA C 55.96 0.05 1 1144 196 137 ARG CB C 30.91 0.12 1 1145 196 137 ARG CG C 26.94 0 1 1146 196 137 ARG CD C 43.25 0.08 1 1147 196 137 ARG N N 120.8 0.03 1 1148 197 138 SER H H 7.99 0.01 1 1149 197 138 SER HA H 4.28 0 1 1150 197 138 SER HB2 H 4.28 0.01 2 1151 197 138 SER HB3 H 3.86 0 2 1152 197 138 SER CA C 59.97 0.05 1 1153 197 138 SER CB C 64.8 0 1 1154 197 138 SER N N 122.69 0.05 1 stop_ save_