data_15961 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Side chain 1H, 13C, and 15N Chemical Shift Assignments for Microneme protein 2 Associated protein ; _BMRB_accession_number 15961 _BMRB_flat_file_name bmr15961.str _Entry_type original _Submission_date 2008-09-24 _Accession_date 2008-09-24 _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 Liu Bing . . 2 Sawmynaden Kovilen . . 3 Simpson Pete . . 4 Matthews Steve . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 932 "13C chemical shifts" 735 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-21 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-03-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Complete resonance assignments for the MIC2 associated protein from Toxoplasma gondii' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636952 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Bing . . 2 Sawmynaden Kovilen . . 3 Marchant Jan . . 4 Simpson Peter . . 5 Matthews Stephen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 81 _Page_last 83 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name M2AP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label M2AP $M2AP 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_M2AP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common M2AP _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 182 _Mol_residue_sequence ; TFLELVEVPCNSVHVQGVMT PNQMVKVTGAGWDNGVLEFY VTRPTKTGGDTSRSHLASIM CYSKDIDGVPSDKAGKCFLK NFSGEDSSEIDEKEVSLPIK SHNDAFMFVCSSNDGSALQC DVFALDNTNSSDGWKVNTVD LGVSVSPDLAFGLTADGVKV KKLYASSGLTAINDDPSLGC KA ; loop_ _Residue_seq_code _Residue_label 1 THR 2 PHE 3 LEU 4 GLU 5 LEU 6 VAL 7 GLU 8 VAL 9 PRO 10 CYS 11 ASN 12 SER 13 VAL 14 HIS 15 VAL 16 GLN 17 GLY 18 VAL 19 MET 20 THR 21 PRO 22 ASN 23 GLN 24 MET 25 VAL 26 LYS 27 VAL 28 THR 29 GLY 30 ALA 31 GLY 32 TRP 33 ASP 34 ASN 35 GLY 36 VAL 37 LEU 38 GLU 39 PHE 40 TYR 41 VAL 42 THR 43 ARG 44 PRO 45 THR 46 LYS 47 THR 48 GLY 49 GLY 50 ASP 51 THR 52 SER 53 ARG 54 SER 55 HIS 56 LEU 57 ALA 58 SER 59 ILE 60 MET 61 CYS 62 TYR 63 SER 64 LYS 65 ASP 66 ILE 67 ASP 68 GLY 69 VAL 70 PRO 71 SER 72 ASP 73 LYS 74 ALA 75 GLY 76 LYS 77 CYS 78 PHE 79 LEU 80 LYS 81 ASN 82 PHE 83 SER 84 GLY 85 GLU 86 ASP 87 SER 88 SER 89 GLU 90 ILE 91 ASP 92 GLU 93 LYS 94 GLU 95 VAL 96 SER 97 LEU 98 PRO 99 ILE 100 LYS 101 SER 102 HIS 103 ASN 104 ASP 105 ALA 106 PHE 107 MET 108 PHE 109 VAL 110 CYS 111 SER 112 SER 113 ASN 114 ASP 115 GLY 116 SER 117 ALA 118 LEU 119 GLN 120 CYS 121 ASP 122 VAL 123 PHE 124 ALA 125 LEU 126 ASP 127 ASN 128 THR 129 ASN 130 SER 131 SER 132 ASP 133 GLY 134 TRP 135 LYS 136 VAL 137 ASN 138 THR 139 VAL 140 ASP 141 LEU 142 GLY 143 VAL 144 SER 145 VAL 146 SER 147 PRO 148 ASP 149 LEU 150 ALA 151 PHE 152 GLY 153 LEU 154 THR 155 ALA 156 ASP 157 GLY 158 VAL 159 LYS 160 VAL 161 LYS 162 LYS 163 LEU 164 TYR 165 ALA 166 SER 167 SER 168 GLY 169 LEU 170 THR 171 ALA 172 ILE 173 ASN 174 ASP 175 ASP 176 PRO 177 SER 178 LEU 179 GLY 180 CYS 181 LYS 182 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2MPO "Structural Basis Of Toxoplasma Gondii Mic2-associated Protein Interaction With Mic2" 100.00 182 100.00 100.00 9.84e-129 GB AAK51546 "MIC2-associated protein precursor [Toxoplasma gondii]" 100.00 330 100.00 100.00 5.90e-130 GB EPR60220 "MIC2-associated protein M2AP [Toxoplasma gondii GT1]" 100.00 330 100.00 100.00 5.90e-130 GB EPT26499 "MIC2-associated protein M2AP [Toxoplasma gondii ME49]" 100.00 330 100.00 100.00 3.73e-130 GB ESS31155 "MIC2-associated protein M2AP [Toxoplasma gondii VEG]" 100.00 330 100.00 100.00 5.71e-130 GB KFG36006 "MIC2-associated protein M2AP [Toxoplasma gondii GAB2-2007-GAL-DOM2]" 100.00 330 100.00 100.00 3.73e-130 REF XP_002370815 "MIC2-associated protein M2AP [Toxoplasma gondii ME49]" 100.00 330 100.00 100.00 3.73e-130 TPE CEL77075 "TPA: MIC2-associated protein M2AP [Toxoplasma gondii VEG]" 100.00 330 100.00 100.00 5.71e-130 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $M2AP 'E. coli' 562 Eubacteria . Escherichia coli 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 $M2AP 'recombinant technology' 'E. coli' Escherichia coli . pET32 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 $M2AP 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 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' 0.1 . M pH 5.9 . pH pressure 1 . atm temperature 308 . 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 water C 13 protons ppm 4.69 internal indirect . . . 0.251449530 water H 1 protons ppm 4.69 internal direct . . . 1.0 water N 15 protons ppm 4.69 internal 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 CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name M2AP _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 1 1 THR HB H 4.005 . 1 2 2 2 PHE HA H 4.64 . 1 3 2 2 PHE HB2 H 3.063 . 2 4 2 2 PHE HB3 H 2.997 . 2 5 2 2 PHE HD1 H 7.24 . 3 6 2 2 PHE HD2 H 7.24 . 3 7 2 2 PHE HE1 H 7.21 . 3 8 2 2 PHE HE2 H 7.21 . 3 9 2 2 PHE C C 174.851 . 1 10 2 2 PHE CA C 57.831 . 1 11 2 2 PHE CB C 39.665 . 1 12 2 2 PHE CD1 C 132.8 . 3 13 2 2 PHE CD2 C 132.8 . 3 14 3 3 LEU H H 8.019 . 1 15 3 3 LEU HA H 4.257 . 1 16 3 3 LEU HB2 H 1.479 . 2 17 3 3 LEU HB3 H 1.479 . 2 18 3 3 LEU HD1 H 0.838 . 2 19 3 3 LEU HD2 H 0.785 . 2 20 3 3 LEU HG H 1.424 . 1 21 3 3 LEU C C 176.075 . 1 22 3 3 LEU CA C 54.846 . 1 23 3 3 LEU CB C 43.036 . 1 24 3 3 LEU CD1 C 24.864 . 1 25 3 3 LEU CD2 C 23.830 . 1 26 3 3 LEU CG C 27.203 . 1 27 3 3 LEU N N 124.428 . 1 28 4 4 GLU H H 8.188 . 1 29 4 4 GLU HA H 4.188 . 1 30 4 4 GLU HB2 H 2.0 . 2 31 4 4 GLU HB3 H 1.893 . 2 32 4 4 GLU HG2 H 2.157 . 2 33 4 4 GLU HG3 H 2.239 . 2 34 4 4 GLU C C 175.404 . 1 35 4 4 GLU CA C 56.274 . 1 36 4 4 GLU CB C 30.495 . 1 37 4 4 GLU CG C 36.176 . 1 38 4 4 GLU N N 122.557 . 1 39 5 5 LEU H H 8.230 . 1 40 5 5 LEU HA H 4.50 . 1 41 5 5 LEU HB2 H 1.554 . 2 42 5 5 LEU HB3 H 1.554 . 2 43 5 5 LEU HD1 H 0.491 . 2 44 5 5 LEU HD2 H 0.566 . 2 45 5 5 LEU HG H 1.475 . 1 46 5 5 LEU C C 176.120 . 1 47 5 5 LEU CA C 54.318 . 1 48 5 5 LEU CB C 43.8 . 1 49 5 5 LEU CD1 C 25.9 . 1 50 5 5 LEU CD2 C 23.65 . 1 51 5 5 LEU CG C 27.203 . 1 52 5 5 LEU N N 123.052 . 1 53 6 6 VAL H H 8.675 . 1 54 6 6 VAL HA H 4.451 . 1 55 6 6 VAL HB H 2.188 . 1 56 6 6 VAL HG1 H 1.020 . 2 57 6 6 VAL HG2 H 0.956 . 2 58 6 6 VAL C C 175.419 . 1 59 6 6 VAL CA C 60.816 . 1 60 6 6 VAL CB C 34.252 . 1 61 6 6 VAL CG1 C 21.403 . 1 62 6 6 VAL CG2 C 20.128 . 1 63 6 6 VAL N N 121.389 . 1 64 7 7 GLU H H 8.813 . 1 65 7 7 GLU HA H 4.282 . 1 66 7 7 GLU HB2 H 1.864 . 2 67 7 7 GLU HB3 H 1.864 . 2 68 7 7 GLU HG2 H 2.198 . 2 69 7 7 GLU HG3 H 2.198 . 2 70 7 7 GLU C C 176.255 . 1 71 7 7 GLU CA C 56.735 . 1 72 7 7 GLU CB C 29.999 . 1 73 7 7 GLU CG C 36.176 . 1 74 7 7 GLU N N 126.572 . 1 75 8 8 VAL H H 8.719 . 1 76 8 8 VAL HA H 4.5 . 1 77 8 8 VAL HB H 1.857 . 1 78 8 8 VAL HG1 H 0.895 . 2 79 8 8 VAL HG2 H 0.895 . 2 80 8 8 VAL C C 175.747 . 1 81 8 8 VAL CA C 59.174 . 1 82 8 8 VAL CB C 33.058 . 1 83 8 8 VAL CG1 C 21.062 . 1 84 8 8 VAL CG2 C 20.947 . 1 85 8 8 VAL N N 128.892 . 1 86 9 9 PRO HA H 4.90 . 1 87 9 9 PRO HB2 H 2.61 . 2 88 9 9 PRO HB3 H 1.823 . 2 89 9 9 PRO HD2 H 3.7 . 2 90 9 9 PRO HD3 H 3.852 . 2 91 9 9 PRO HG2 H 2.176 . 2 92 9 9 PRO HG3 H 2.013 . 2 93 9 9 PRO C C 175.449 . 1 94 9 9 PRO CA C 62.905 . 1 95 9 9 PRO CB C 28.5 . 1 96 9 9 PRO CD C 51.1 . 1 97 9 9 PRO CG C 27 . 1 98 10 10 CYS H H 7.909 . 1 99 10 10 CYS HA H 5.003 . 1 100 10 10 CYS HB2 H 3.333 . 2 101 10 10 CYS HB3 H 3.333 . 2 102 10 10 CYS C C 172.777 . 1 103 10 10 CYS CA C 54.542 . 1 104 10 10 CYS CB C 48.729 . 1 105 10 10 CYS N N 117.279 . 1 106 11 11 ASN H H 8.644 . 1 107 11 11 ASN HA H 4.685 . 1 108 11 11 ASN HB2 H 2.891 . 2 109 11 11 ASN HB3 H 2.891 . 2 110 11 11 ASN HD21 H 6.625 . 2 111 11 11 ASN HD22 H 6.625 . 2 112 11 11 ASN C C 174.613 . 1 113 11 11 ASN CA C 54.697 . 1 114 11 11 ASN CB C 39.401 . 1 115 11 11 ASN N N 115.501 . 1 116 11 11 ASN ND2 N 112.650 . 1 117 12 12 SER H H 7.497 . 1 118 12 12 SER HA H 4.62 . 1 119 12 12 SER HB2 H 3.818 . 2 120 12 12 SER HB3 H 3.646 . 2 121 12 12 SER C C 172.359 . 1 122 12 12 SER CA C 57.458 . 1 123 12 12 SER CB C 65.367 . 1 124 12 12 SER N N 110.920 . 1 125 13 13 VAL H H 8.996 . 1 126 13 13 VAL HA H 4.419 . 1 127 13 13 VAL HB H 2.206 . 1 128 13 13 VAL HG1 H 0.93 . 2 129 13 13 VAL HG2 H 0.93 . 2 130 13 13 VAL C C 174.344 . 1 131 13 13 VAL CA C 61.406 . 1 132 13 13 VAL CB C 33.506 . 1 133 13 13 VAL CG1 C 21.7 . 1 134 13 13 VAL CG2 C 21.7 . 1 135 13 13 VAL N N 119.681 . 1 136 14 14 HIS HA H 5.009 . 1 137 14 14 HIS HB2 H 3.178 . 2 138 14 14 HIS HB3 H 2.953 . 2 139 14 14 HIS HD2 H 7.379 . 3 140 14 14 HIS C C 173.956 . 1 141 14 14 HIS CA C 54.500 . 1 142 14 14 HIS CB C 29.749 . 1 143 15 15 VAL H H 8.829 . 1 144 15 15 VAL HA H 4.087 . 1 145 15 15 VAL HB H 2.375 . 1 146 15 15 VAL HG1 H 1.07 . 2 147 15 15 VAL HG2 H 0.875 . 2 148 15 15 VAL C C 174.986 . 1 149 15 15 VAL CA C 62.532 . 1 150 15 15 VAL CB C 32.634 . 1 151 15 15 VAL CG1 C 21.8 . 1 152 15 15 VAL CG2 C 22.3 . 1 153 15 15 VAL N N 125.456 . 1 154 16 16 GLN H H 8.400 . 1 155 16 16 GLN HA H 4.606 . 1 156 16 16 GLN HB2 H 1.981 . 2 157 16 16 GLN HB3 H 1.842 . 2 158 16 16 GLN HG2 H 2.247 . 2 159 16 16 GLN HG3 H 2.191 . 2 160 16 16 GLN C C 175.837 . 1 161 16 16 GLN CA C 55.518 . 1 162 16 16 GLN CB C 30.148 . 1 163 16 16 GLN CG C 35.907 . 1 164 16 16 GLN N N 125.016 . 1 165 16 16 GLN NE2 N 111.297 . 1 166 17 17 GLY H H 8.717 . 1 167 17 17 GLY HA2 H 4.248 . 2 168 17 17 GLY HA3 H 3.816 . 2 169 17 17 GLY C C 173.941 . 1 170 17 17 GLY CA C 44.324 . 1 171 17 17 GLY N N 112.678 . 1 172 18 18 VAL H H 8.462 . 1 173 18 18 VAL HA H 4.047 . 1 174 18 18 VAL HB H 1.893 . 1 175 18 18 VAL HG1 H 0.827 . 2 176 18 18 VAL HG2 H 0.827 . 2 177 18 18 VAL C C 175.479 . 1 178 18 18 VAL CA C 62.18 . 1 179 18 18 VAL CB C 33.6 . 1 180 18 18 VAL CG1 C 20.860 . 1 181 18 18 VAL CG2 C 20.860 . 1 182 18 18 VAL N N 120.705 . 1 183 19 19 MET H H 7.630 . 1 184 19 19 MET HA H 4.315 . 1 185 19 19 MET HB2 H 2.281 . 2 186 19 19 MET HB3 H 1.888 . 2 187 19 19 MET HE H 0.881 . 1 188 19 19 MET HG2 H 2.661 . 2 189 19 19 MET HG3 H 2.526 . 2 190 19 19 MET C C 174.419 . 1 191 19 19 MET CA C 56.786 . 1 192 19 19 MET CB C 34.103 . 1 193 19 19 MET CG C 32.625 . 1 194 19 19 MET N N 125.351 . 1 195 20 20 THR H H 7.658 . 1 196 20 20 THR HA H 4.593 . 1 197 20 20 THR HB H 4.43 . 1 198 20 20 THR HG2 H 1.218 . 1 199 20 20 THR C C 173.195 . 1 200 20 20 THR CA C 59.805 . 1 201 20 20 THR CB C 68.105 . 1 202 20 20 THR CG2 C 22.083 . 1 203 20 20 THR N N 115.892 . 1 204 21 21 PRO HA H 4.584 . 1 205 21 21 PRO HB2 H 2.29 . 2 206 21 21 PRO HB3 H 1.787 . 2 207 21 21 PRO HD2 H 3.77 . 2 208 21 21 PRO HD3 H 3.638 . 2 209 21 21 PRO HG2 H 1.75 . 2 210 21 21 PRO HG3 H 2.047 . 2 211 21 21 PRO C C 176.613 . 1 212 21 21 PRO CA C 64.900 . 1 213 21 21 PRO CB C 32.123 . 1 214 21 21 PRO CD C 51.342 . 1 215 21 21 PRO CG C 28 . 1 216 22 22 ASN H H 8.610 . 1 217 22 22 ASN HA H 4.349 . 1 218 22 22 ASN HB2 H 3.0 . 2 219 22 22 ASN HB3 H 2.8 . 2 220 22 22 ASN HD21 H 6.923 . 2 221 22 22 ASN HD22 H 6.923 . 2 222 22 22 ASN C C 174.270 . 1 223 22 22 ASN CA C 55.070 . 1 224 22 22 ASN CB C 37.833 . 1 225 22 22 ASN N N 113.766 . 1 226 22 22 ASN ND2 N 112.581 . 1 227 23 23 GLN H H 7.538 . 1 228 23 23 GLN HA H 4.516 . 1 229 23 23 GLN HB2 H 1.88 . 2 230 23 23 GLN HB3 H 2.096 . 2 231 23 23 GLN HG2 H 2.166 . 2 232 23 23 GLN HG3 H 2.250 . 2 233 23 23 GLN C C 175.374 . 1 234 23 23 GLN CA C 55.164 . 1 235 23 23 GLN CB C 30.122 . 1 236 23 23 GLN CG C 33.6 . 1 237 23 23 GLN N N 116.580 . 1 238 23 23 GLN NE2 N 111.297 . 1 239 24 24 MET H H 8.939 . 1 240 24 24 MET HA H 5.187 . 1 241 24 24 MET HB2 H 1.832 . 2 242 24 24 MET HB3 H 1.699 . 2 243 24 24 MET HE H 0.558 . 1 244 24 24 MET HG2 H 2.158 . 2 245 24 24 MET HG3 H 2.158 . 2 246 24 24 MET C C 173.912 . 1 247 24 24 MET CA C 55.019 . 1 248 24 24 MET CB C 37.251 . 1 249 24 24 MET CE C 23.56 . 1 250 24 24 MET CG C 31.271 . 1 251 24 24 MET N N 117.807 . 1 252 25 25 VAL H H 8.090 . 1 253 25 25 VAL HA H 4.543 . 1 254 25 25 VAL HB H 1.130 . 1 255 25 25 VAL HG1 H 0.536 . 2 256 25 25 VAL HG2 H 0.290 . 2 257 25 25 VAL C C 173.494 . 1 258 25 25 VAL CA C 60.937 . 1 259 25 25 VAL CB C 34.949 . 1 260 25 25 VAL CG1 C 20.733 . 1 261 25 25 VAL CG2 C 20.233 . 1 262 25 25 VAL N N 116.295 . 1 263 26 26 LYS H H 8.780 . 1 264 26 26 LYS HA H 5.009 . 1 265 26 26 LYS HB2 H 1.585 . 2 266 26 26 LYS HB3 H 1.427 . 2 267 26 26 LYS C C 173.628 . 1 268 26 26 LYS CA C 53.951 . 1 269 26 26 LYS CB C 37.610 . 1 270 26 26 LYS N N 126.778 . 1 271 27 27 VAL H H 9.340 . 1 272 27 27 VAL HA H 5.256 . 1 273 27 27 VAL HB H 2.277 . 1 274 27 27 VAL HG1 H 1.094 . 2 275 27 27 VAL HG2 H 1.094 . 2 276 27 27 VAL C C 175.359 . 1 277 27 27 VAL CA C 60.765 . 1 278 27 27 VAL CB C 35.471 . 1 279 27 27 VAL CG1 C 20.7 . 1 280 27 27 VAL CG2 C 20.7 . 1 281 27 27 VAL N N 126.465 . 1 282 28 28 THR H H 9.413 . 1 283 28 28 THR HA H 5.364 . 1 284 28 28 THR HB H 4.474 . 1 285 28 28 THR HG2 H 1.07 . 1 286 28 28 THR C C 171.300 . 1 287 28 28 THR CA C 59.920 . 1 288 28 28 THR CB C 71.584 . 1 289 28 28 THR CG2 C 22.204 . 1 290 28 28 THR N N 118.768 . 1 291 29 29 GLY H H 7.274 . 1 292 29 29 GLY HA2 H 4.416 . 2 293 29 29 GLY HA3 H 3.331 . 2 294 29 29 GLY C C 172.345 . 1 295 29 29 GLY CA C 45.468 . 1 296 29 29 GLY N N 103.721 . 1 297 30 30 ALA H H 9.017 . 1 298 30 30 ALA HA H 4.658 . 1 299 30 30 ALA HB H 1.297 . 1 300 30 30 ALA C C 174.926 . 1 301 30 30 ALA CA C 51.488 . 1 302 30 30 ALA CB C 19.128 . 1 303 30 30 ALA N N 122.308 . 1 304 31 31 GLY H H 7.353 . 1 305 31 31 GLY HA2 H 4.601 . 2 306 31 31 GLY HA3 H 4.371 . 2 307 31 31 GLY C C 172.553 . 1 308 31 31 GLY CA C 44.698 . 1 309 31 31 GLY N N 106.348 . 1 310 32 32 TRP H H 9.635 . 1 311 32 32 TRP HA H 5.278 . 1 312 32 32 TRP HB2 H 3.379 . 2 313 32 32 TRP HB3 H 3.246 . 2 314 32 32 TRP HD1 H 7.311 . 1 315 32 32 TRP HE1 H 9.530 . 3 316 32 32 TRP HH2 H 7.34 . 1 317 32 32 TRP HZ2 H 6.71 . 3 318 32 32 TRP HZ3 H 7.24 . 3 319 32 32 TRP C C 173.330 . 1 320 32 32 TRP CA C 58.377 . 1 321 32 32 TRP CB C 30.670 . 1 322 32 32 TRP CD1 C 129.5 . 3 323 32 32 TRP CH2 C 129.5 . 1 324 32 32 TRP N N 120.519 . 1 325 32 32 TRP NE1 N 129.1 . 1 326 33 33 ASP H H 8.515 . 1 327 33 33 ASP HA H 4.922 . 1 328 33 33 ASP HB2 H 2.646 . 2 329 33 33 ASP HB3 H 2.646 . 2 330 33 33 ASP C C 175.210 . 1 331 33 33 ASP CA C 56.1 . 1 332 33 33 ASP CB C 43.754 . 1 333 33 33 ASP N N 118.150 . 1 334 34 34 ASN H H 7.722 . 1 335 34 34 ASN HA H 4.639 . 1 336 34 34 ASN HB2 H 2.873 . 2 337 34 34 ASN HB3 H 2.873 . 2 338 34 34 ASN C C 174.508 . 1 339 34 34 ASN CA C 52.682 . 1 340 34 34 ASN CB C 41.191 . 1 341 34 34 ASN N N 113.186 . 1 342 34 34 ASN ND2 N 113.866 . 1 343 35 35 GLY H H 8.153 . 1 344 35 35 GLY HA2 H 4.202 . 2 345 35 35 GLY HA3 H 3.958 . 2 346 35 35 GLY C C 174.180 . 1 347 35 35 GLY CA C 46.489 . 1 348 35 35 GLY N N 106.757 . 1 349 36 36 VAL H H 8.238 . 1 350 36 36 VAL HA H 4.299 . 1 351 36 36 VAL HB H 1.676 . 1 352 36 36 VAL HG1 H 0.454 . 2 353 36 36 VAL HG2 H 0.415 . 2 354 36 36 VAL C C 174.911 . 1 355 36 36 VAL CA C 61.287 . 1 356 36 36 VAL CB C 34.109 . 1 357 36 36 VAL CG1 C 21.398 . 1 358 36 36 VAL CG2 C 20.771 . 1 359 36 36 VAL N N 121.650 . 1 360 37 37 LEU H H 7.974 . 1 361 37 37 LEU HA H 3.868 . 1 362 37 37 LEU HB2 H 0.509 . 2 363 37 37 LEU HB3 H 0.509 . 2 364 37 37 LEU HD1 H -0.15 . 2 365 37 37 LEU HD2 H -0.05 . 2 366 37 37 LEU HG H -1.0 . 1 367 37 37 LEU C C 174.046 . 1 368 37 37 LEU CA C 54.00 . 1 369 37 37 LEU CB C 42.3 . 1 370 37 37 LEU CD1 C 24.3 . 1 371 37 37 LEU CD2 C 24.8 . 1 372 37 37 LEU CG C 42.2 . 1 373 37 37 LEU N N 128.459 . 1 374 38 38 GLU H H 8.299 . 1 375 38 38 GLU HA H 5.44 . 1 376 38 38 GLU HB2 H 1.552 . 2 377 38 38 GLU HB3 H 1.552 . 2 378 38 38 GLU HG2 H 1.95 . 2 379 38 38 GLU HG3 H 1.956 . 2 380 38 38 GLU C C 174.225 . 1 381 38 38 GLU CA C 54.268 . 1 382 38 38 GLU CB C 32.567 . 1 383 38 38 GLU CG C 36.993 . 1 384 38 38 GLU N N 127.069 . 1 385 39 39 PHE H H 9.188 . 1 386 39 39 PHE HA H 4.953 . 1 387 39 39 PHE HB2 H 2.30 . 2 388 39 39 PHE HB3 H 1.777 . 2 389 39 39 PHE HD1 H 6.561 . 3 390 39 39 PHE HD2 H 6.561 . 3 391 39 39 PHE HE1 H 6.972 . 3 392 39 39 PHE HE2 H 6.972 . 3 393 39 39 PHE HZ H 7.30 . 1 394 39 39 PHE C C 173.762 . 1 395 39 39 PHE CA C 56.115 . 1 396 39 39 PHE CB C 41.564 . 1 397 39 39 PHE CD1 C 131.72 . 3 398 39 39 PHE CD2 C 131.72 . 3 399 39 39 PHE CE1 C 130.5 . 3 400 39 39 PHE CE2 C 130.5 . 3 401 39 39 PHE CZ C 130.5 . 1 402 39 39 PHE N N 129.999 . 1 403 40 40 TYR H H 7.849 . 1 404 40 40 TYR HA H 5.303 . 1 405 40 40 TYR HB2 H 2.611 . 2 406 40 40 TYR HB3 H 2.491 . 2 407 40 40 TYR HD1 H 6.35 . 3 408 40 40 TYR HD2 H 6.35 . 3 409 40 40 TYR HE1 H 6.31 . 3 410 40 40 TYR HE2 H 6.31 . 3 411 40 40 TYR C C 171.583 . 1 412 40 40 TYR CA C 55.000 . 1 413 40 40 TYR CB C 41.990 . 1 414 40 40 TYR CD1 C 133.92 . 3 415 40 40 TYR CD2 C 133.92 . 3 416 40 40 TYR CE1 C 118.5 . 3 417 40 40 TYR CE2 C 118.5 . 3 418 40 40 TYR N N 123.556 . 1 419 41 41 VAL H H 8.179 . 1 420 41 41 VAL HA H 4.927 . 1 421 41 41 VAL HB H 1.677 . 1 422 41 41 VAL HG1 H 0.61 . 2 423 41 41 VAL HG2 H 0.481 . 2 424 41 41 VAL C C 176.911 . 1 425 41 41 VAL CA C 59.448 . 1 426 41 41 VAL CB C 34.743 . 1 427 41 41 VAL CG1 C 21.666 . 1 428 41 41 VAL CG2 C 21.4 . 1 429 41 41 VAL N N 116.582 . 1 430 42 42 THR H H 9.064 . 1 431 42 42 THR HA H 4.922 . 1 432 42 42 THR HB H 3.903 . 1 433 42 42 THR HG2 H 0.708 . 1 434 42 42 THR C C 171.897 . 1 435 42 42 THR CA C 59.398 . 1 436 42 42 THR CB C 72.381 . 1 437 42 42 THR CG2 C 20.860 . 1 438 42 42 THR N N 118.511 . 1 439 43 43 ARG H H 8.594 . 1 440 43 43 ARG HA H 4.934 . 1 441 43 43 ARG HB2 H 1.867 . 2 442 43 43 ARG HB3 H 1.867 . 2 443 43 43 ARG HD2 H 3.095 . 2 444 43 43 ARG HD3 H 3.052 . 2 445 43 43 ARG HG2 H 1.483 . 2 446 43 43 ARG HG3 H 1.425 . 2 447 43 43 ARG C C 172.539 . 1 448 43 43 ARG CA C 53.279 . 1 449 43 43 ARG CB C 31.491 . 1 450 43 43 ARG CD C 43.538 . 1 451 43 43 ARG CG C 25.9 . 1 452 43 43 ARG N N 116.961 . 1 453 44 44 PRO HA H 4.684 . 1 454 44 44 PRO HB2 H 2.303 . 2 455 44 44 PRO HB3 H 1.900 . 2 456 44 44 PRO HD2 H 3.707 . 2 457 44 44 PRO HD3 H 3.707 . 2 458 44 44 PRO HG2 H 1.93 . 2 459 44 44 PRO HG3 H 2.055 . 2 460 44 44 PRO C C 176.508 . 1 461 44 44 PRO CA C 63.396 . 1 462 44 44 PRO CB C 32.139 . 1 463 44 44 PRO CD C 50.307 . 1 464 44 44 PRO CG C 28.2 . 1 465 45 45 THR H H 8.236 . 1 466 45 45 THR HA H 4.267 . 1 467 45 45 THR HB H 4.064 . 1 468 45 45 THR HG2 H 1.07 . 1 469 45 45 THR C C 174.494 . 1 470 45 45 THR CA C 62.018 . 1 471 45 45 THR CB C 69.919 . 1 472 45 45 THR CG2 C 21.777 . 1 473 45 45 THR N N 116.277 . 1 474 46 46 LYS H H 8.500 . 1 475 46 46 LYS HA H 4.438 . 1 476 46 46 LYS HB2 H 1.889 . 2 477 46 46 LYS HB3 H 1.777 . 2 478 46 46 LYS HD2 H 1.647 . 2 479 46 46 LYS HD3 H 1.655 . 2 480 46 46 LYS HE2 H 2.961 . 2 481 46 46 LYS HE3 H 2.982 . 2 482 46 46 LYS HG2 H 1.386 . 2 483 46 46 LYS HG3 H 1.386 . 2 484 46 46 LYS C C 176.732 . 1 485 46 46 LYS CA C 56.661 . 1 486 46 46 LYS CB C 33.482 . 1 487 46 46 LYS CD C 29.000 . 1 488 46 46 LYS CE C 41.908 . 1 489 46 46 LYS CG C 24.822 . 1 490 46 46 LYS N N 122.400 . 1 491 47 47 THR H H 8.010 . 1 492 47 47 THR HA H 4.315 . 1 493 47 47 THR HB H 4.200 . 1 494 47 47 THR HG2 H 1.163 . 1 495 47 47 THR C C 175.120 . 1 496 47 47 THR CA C 62.117 . 1 497 47 47 THR CB C 69.919 . 1 498 47 47 THR CG2 C 21.666 . 1 499 47 47 THR N N 113.888 . 1 500 48 48 GLY H H 8.435 . 1 501 48 48 GLY HA2 H 4.058 . 2 502 48 48 GLY HA3 H 3.857 . 2 503 48 48 GLY C C 174.688 . 1 504 48 48 GLY CA C 45.967 . 1 505 48 48 GLY N N 112.146 . 1 506 49 49 GLY H H 8.272 . 1 507 49 49 GLY HA2 H 3.946 . 2 508 49 49 GLY HA3 H 3.946 . 2 509 49 49 GLY C C 173.912 . 1 510 49 49 GLY CA C 45.519 . 1 511 49 49 GLY N N 109.240 . 1 512 50 50 ASP H H 8.149 . 1 513 50 50 ASP HA H 4.643 . 1 514 50 50 ASP HB2 H 2.672 . 2 515 50 50 ASP HB3 H 2.672 . 2 516 50 50 ASP C C 176.613 . 1 517 50 50 ASP CA C 54.548 . 1 518 50 50 ASP CB C 41.714 . 1 519 50 50 ASP N N 120.713 . 1 520 51 51 THR H H 8.096 . 1 521 51 51 THR HA H 4.387 . 1 522 51 51 THR HB H 4.335 . 1 523 51 51 THR HG2 H 1.163 . 1 524 51 51 THR C C 174.896 . 1 525 51 51 THR CA C 62.009 . 1 526 51 51 THR CB C 69.620 . 1 527 51 51 THR CG2 C 21.666 . 1 528 51 51 THR N N 113.264 . 1 529 52 52 SER H H 8.224 . 1 530 52 52 SER HA H 4.362 . 1 531 52 52 SER HB2 H 3.823 . 2 532 52 52 SER HB3 H 3.823 . 2 533 52 52 SER C C 174.225 . 1 534 52 52 SER CA C 58.888 . 1 535 52 52 SER CB C 63.875 . 1 536 52 52 SER N N 118.667 . 1 537 53 53 ARG H H 8.171 . 1 538 53 53 ARG HA H 4.684 . 1 539 53 53 ARG HB2 H 1.565 . 2 540 53 53 ARG HB3 H 1.565 . 2 541 53 53 ARG HD2 H 3.007 . 2 542 53 53 ARG HD3 H 3.007 . 2 543 53 53 ARG C C 175.717 . 1 544 53 53 ARG CA C 55.070 . 1 545 53 53 ARG CB C 32.162 . 1 546 53 53 ARG CD C 42.535 . 1 547 53 53 ARG CG C 27.130 . 1 548 53 53 ARG N N 121.395 . 1 549 54 54 SER H H 8.581 . 1 550 54 54 SER HA H 4.530 . 1 551 54 54 SER HB2 H 3.678 . 2 552 54 54 SER HB3 H 3.510 . 2 553 54 54 SER C C 173.718 . 1 554 54 54 SER CA C 57.234 . 1 555 54 54 SER CB C 65.069 . 1 556 54 54 SER N N 116.002 . 1 557 55 55 HIS HA H 4.00 . 1 558 55 55 HIS HB2 H 2.169 . 2 559 55 55 HIS HB3 H 2.169 . 2 560 55 55 HIS C C 173.628 . 1 561 55 55 HIS CA C 57.345 . 1 562 55 55 HIS CB C 28.730 . 1 563 56 56 LEU H H 8.640 . 1 564 56 56 LEU HA H 4.662 . 1 565 56 56 LEU HB2 H 1.543 . 2 566 56 56 LEU HB3 H 1.25 . 2 567 56 56 LEU HD1 H 0.824 . 2 568 56 56 LEU HD2 H 0.894 . 2 569 56 56 LEU C C 176.001 . 1 570 56 56 LEU CA C 56.338 . 1 571 56 56 LEU CB C 44.855 . 1 572 56 56 LEU CD1 C 24.801 . 1 573 56 56 LEU CD2 C 24.801 . 1 574 56 56 LEU CG C 27.309 . 1 575 56 56 LEU N N 123.071 . 1 576 57 57 ALA H H 7.781 . 1 577 57 57 ALA HA H 5.512 . 1 578 57 57 ALA HB H 1.423 . 1 579 57 57 ALA C C 175.822 . 1 580 57 57 ALA CA C 51.861 . 1 581 57 57 ALA CB C 22.961 . 1 582 57 57 ALA N N 117.806 . 1 583 58 58 SER H H 9.093 . 1 584 58 58 SER HA H 5.757 . 1 585 58 58 SER HB2 H 4.047 . 2 586 58 58 SER HB3 H 3.868 . 2 587 58 58 SER C C 172.927 . 1 588 58 58 SER CA C 57.855 . 1 589 58 58 SER CB C 67.555 . 1 590 58 58 SER N N 114.788 . 1 591 59 59 ILE H H 9.781 . 1 592 59 59 ILE HA H 5.258 . 1 593 59 59 ILE HB H 1.889 . 1 594 59 59 ILE HD1 H 0.950 . 1 595 59 59 ILE HG12 H 1.084 . 1 596 59 59 ILE HG13 H 1.084 . 1 597 59 59 ILE HG2 H 0.945 . 2 598 59 59 ILE C C 174.598 . 1 599 59 59 ILE CA C 60.073 . 1 600 59 59 ILE CB C 40.967 . 1 601 59 59 ILE CD1 C 13.860 . 1 602 59 59 ILE CG1 C 28.799 . 2 603 59 59 ILE CG2 C 18.415 . 1 604 59 59 ILE N N 123.353 . 1 605 60 60 MET H H 9.356 . 1 606 60 60 MET HA H 5.668 . 1 607 60 60 MET HB2 H 2.046 . 2 608 60 60 MET HB3 H 2.046 . 2 609 60 60 MET HG2 H 2.269 . 2 610 60 60 MET HG3 H 2.269 . 2 611 60 60 MET C C 176.016 . 1 612 60 60 MET CA C 53.460 . 1 613 60 60 MET CB C 36.176 . 1 614 60 60 MET CG C 32.704 . 1 615 60 60 MET N N 125.889 . 1 616 61 61 CYS H H 9.089 . 1 617 61 61 CYS HA H 5.717 . 1 618 61 61 CYS HB2 H 3.499 . 2 619 61 61 CYS HB3 H 2.393 . 2 620 61 61 CYS C C 172.225 . 1 621 61 61 CYS CA C 55.891 . 1 622 61 61 CYS CB C 45.876 . 1 623 61 61 CYS N N 121.442 . 1 624 62 62 TYR H H 8.904 . 1 625 62 62 TYR HA H 4.964 . 1 626 62 62 TYR HB2 H 2.635 . 2 627 62 62 TYR HB3 H 2.635 . 2 628 62 62 TYR HD1 H 7.32 . 3 629 62 62 TYR HD2 H 7.32 . 3 630 62 62 TYR HE1 H 6.68 . 3 631 62 62 TYR HE2 H 6.68 . 3 632 62 62 TYR C C 177.523 . 1 633 62 62 TYR CA C 56.313 . 1 634 62 62 TYR CB C 40.445 . 1 635 62 62 TYR CD1 C 134.92 . 3 636 62 62 TYR CD2 C 134.92 . 3 637 62 62 TYR CE1 C 117.5 . 3 638 62 62 TYR CE2 C 117.5 . 3 639 62 62 TYR N N 121.680 . 1 640 63 63 SER H H 9.503 . 1 641 63 63 SER HA H 4.411 . 1 642 63 63 SER HB2 H 3.938 . 2 643 63 63 SER HB3 H 3.946 . 2 644 63 63 SER C C 176.120 . 1 645 63 63 SER CA C 58.055 . 1 646 63 63 SER CB C 63.726 . 1 647 63 63 SER N N 118.820 . 1 648 64 64 LYS H H 8.914 . 1 649 64 64 LYS HA H 4.390 . 1 650 64 64 LYS HB2 H 2.046 . 2 651 64 64 LYS HB3 H 1.678 . 2 652 64 64 LYS C C 176.001 . 1 653 64 64 LYS CA C 57.532 . 1 654 64 64 LYS CB C 32.386 . 1 655 64 64 LYS N N 122.428 . 1 656 65 65 ASP H H 8.602 . 1 657 65 65 ASP HA H 4.961 . 1 658 65 65 ASP HB2 H 3.060 . 2 659 65 65 ASP HB3 H 3.060 . 2 660 65 65 ASP C C 174.762 . 1 661 65 65 ASP CA C 54.800 . 1 662 65 65 ASP CB C 42.660 . 1 663 65 65 ASP N N 118.860 . 1 664 66 66 ILE H H 7.094 . 1 665 66 66 ILE HA H 4.293 . 1 666 66 66 ILE HB H 1.643 . 1 667 66 66 ILE HD1 H 0.745 . 1 668 66 66 ILE HG12 H 0.849 . 1 669 66 66 ILE HG13 H 0.849 . 1 670 66 66 ILE HG2 H 0.601 . 2 671 66 66 ILE C C 175.389 . 1 672 66 66 ILE CA C 60.238 . 1 673 66 66 ILE CB C 39.848 . 1 674 66 66 ILE CD1 C 13.605 . 1 675 66 66 ILE CG1 C 27.488 . 2 676 66 66 ILE CG2 C 17.786 . 1 677 66 66 ILE N N 119.288 . 1 678 67 67 ASP H H 8.600 . 1 679 67 67 ASP HA H 4.461 . 1 680 67 67 ASP HB2 H 2.608 . 2 681 67 67 ASP HB3 H 2.608 . 2 682 67 67 ASP C C 177.135 . 1 683 67 67 ASP CA C 55.442 . 1 684 67 67 ASP CB C 41.340 . 1 685 67 67 ASP N N 127.996 . 1 686 68 68 GLY H H 8.645 . 1 687 68 68 GLY HA2 H 4.170 . 2 688 68 68 GLY HA3 H 3.678 . 2 689 68 68 GLY C C 174.673 . 1 690 68 68 GLY CA C 45.668 . 1 691 68 68 GLY N N 110.803 . 1 692 69 69 VAL H H 7.245 . 1 693 69 69 VAL HA H 4.438 . 1 694 69 69 VAL HB H 2.191 . 1 695 69 69 VAL HG1 H 0.915 . 2 696 69 69 VAL HG2 H 1.04 . 2 697 69 69 VAL C C 174.106 . 1 698 69 69 VAL CA C 60.568 . 1 699 69 69 VAL CB C 33.506 . 1 700 69 69 VAL CG1 C 21.577 . 1 701 69 69 VAL CG2 C 21.4 . 1 702 69 69 VAL N N 122.149 . 1 703 70 70 PRO HA H 4.438 . 1 704 70 70 PRO HB2 H 2.354 . 2 705 70 70 PRO HB3 H 1.833 . 2 706 70 70 PRO HD2 H 3.992 . 2 707 70 70 PRO HD3 H 4.08 . 2 708 70 70 PRO HG2 H 2.04 . 2 709 70 70 PRO HG3 H 2.063 . 2 710 70 70 PRO C C 178.941 . 1 711 70 70 PRO CA C 63.203 . 1 712 70 70 PRO CB C 32.231 . 1 713 70 70 PRO CD C 51.3 . 1 714 70 70 PRO CG C 27.20 . 1 715 71 71 SER H H 8.896 . 1 716 71 71 SER HA H 4.148 . 1 717 71 71 SER HB2 H 3.980 . 2 718 71 71 SER HB3 H 3.980 . 2 719 71 71 SER C C 175.568 . 1 720 71 71 SER CA C 61.200 . 1 721 71 71 SER CB C 62.756 . 1 722 71 71 SER N N 120.026 . 1 723 72 72 ASP H H 8.686 . 1 724 72 72 ASP HA H 4.444 . 1 725 72 72 ASP HB2 H 2.661 . 2 726 72 72 ASP HB3 H 2.661 . 2 727 72 72 ASP C C 175.852 . 1 728 72 72 ASP CA C 55.219 . 1 729 72 72 ASP CB C 39.550 . 1 730 72 72 ASP N N 117.611 . 1 731 73 73 LYS H H 7.420 . 1 732 73 73 LYS HA H 4.313 . 1 733 73 73 LYS HB2 H 0.907 . 2 734 73 73 LYS HB3 H 0.907 . 2 735 73 73 LYS HD2 H 0.66 . 2 736 73 73 LYS HD3 H 0.66 . 2 737 73 73 LYS HE2 H 2.37 . 2 738 73 73 LYS HE3 H 2.37 . 2 739 73 73 LYS HG2 H 0.79 . 2 740 73 73 LYS HG3 H 0.79 . 2 741 73 73 LYS C C 174.926 . 1 742 73 73 LYS CA C 56.264 . 1 743 73 73 LYS CB C 34.476 . 1 744 73 73 LYS CD C 28.473 . 1 745 73 73 LYS CE C 41.92 . 1 746 73 73 LYS CG C 24.8 . 1 747 73 73 LYS N N 116.540 . 1 748 74 74 ALA H H 7.121 . 1 749 74 74 ALA HA H 3.646 . 1 750 74 74 ALA HB H 1.420 . 1 751 74 74 ALA C C 178.418 . 1 752 74 74 ALA CA C 54.804 . 1 753 74 74 ALA CB C 19.427 . 1 754 74 74 ALA N N 119.554 . 1 755 75 75 GLY H H 7.772 . 1 756 75 75 GLY HA2 H 4.371 . 2 757 75 75 GLY HA3 H 4.181 . 2 758 75 75 GLY C C 173.300 . 1 759 75 75 GLY CA C 46.662 . 1 760 75 75 GLY N N 111.924 . 1 761 76 76 LYS H H 8.236 . 1 762 76 76 LYS HA H 4.751 . 1 763 76 76 LYS HB2 H 1.956 . 2 764 76 76 LYS HB3 H 1.420 . 2 765 76 76 LYS HD2 H 1.49 . 2 766 76 76 LYS HD3 H 1.61 . 2 767 76 76 LYS HE2 H 2.966 . 2 768 76 76 LYS HE3 H 3.03 . 2 769 76 76 LYS HG2 H 1.70 . 2 770 76 76 LYS HG3 H 1.66 . 2 771 76 76 LYS HZ H 3.03 . 1 772 76 76 LYS C C 174.986 . 1 773 76 76 LYS CA C 55.392 . 1 774 76 76 LYS CB C 37.386 . 1 775 76 76 LYS CD C 25.3 . 1 776 76 76 LYS CE C 41.7 . 1 777 76 76 LYS CG C 28.9 . 1 778 76 76 LYS N N 120.134 . 1 779 77 77 CYS H H 8.333 . 1 780 77 77 CYS HA H 6.238 . 1 781 77 77 CYS HB2 H 2.962 . 2 782 77 77 CYS HB3 H 2.582 . 2 783 77 77 CYS C C 172.580 . 1 784 77 77 CYS CA C 55.542 . 1 785 77 77 CYS CB C 50.817 . 1 786 77 77 CYS N N 115.633 . 1 787 78 78 PHE H H 9.423 . 1 788 78 78 PHE HA H 5.14 . 1 789 78 78 PHE HB2 H 2.83 . 2 790 78 78 PHE HB3 H 2.83 . 2 791 78 78 PHE HD1 H 7.150 . 3 792 78 78 PHE HD2 H 7.15 . 3 793 78 78 PHE HE1 H 7.11 . 3 794 78 78 PHE HE2 H 7.11 . 3 795 78 78 PHE C C 173.941 . 1 796 78 78 PHE CA C 56.910 . 1 797 78 78 PHE CB C 43.801 . 1 798 78 78 PHE CD1 C 131.72 . 3 799 78 78 PHE CD2 C 131.72 . 3 800 78 78 PHE N N 117.314 . 1 801 79 79 LEU H H 9.506 . 1 802 79 79 LEU HA H 5.346 . 1 803 79 79 LEU HB2 H 1.86 . 2 804 79 79 LEU HB3 H 1.25 . 2 805 79 79 LEU HD1 H 1.08 . 2 806 79 79 LEU HD2 H 1.08 . 2 807 79 79 LEU HG H 1.46 . 1 808 79 79 LEU C C 175.389 . 1 809 79 79 LEU CA C 53.876 . 1 810 79 79 LEU CB C 46.140 . 1 811 79 79 LEU CD1 C 22.293 . 1 812 79 79 LEU CD2 C 28.76 . 1 813 79 79 LEU CG C 27.98 . 1 814 79 79 LEU N N 125.001 . 1 815 80 80 LYS H H 9.579 . 1 816 80 80 LYS HA H 5.120 . 1 817 80 80 LYS HB2 H 1.618 . 2 818 80 80 LYS HB3 H 1.618 . 2 819 80 80 LYS HD2 H 1.460 . 2 820 80 80 LYS HD3 H 1.460 . 2 821 80 80 LYS HE3 H 2.709 . 2 822 80 80 LYS HG2 H 1.273 . 2 823 80 80 LYS HG3 H 1.273 . 2 824 80 80 LYS C C 174.598 . 1 825 80 80 LYS CA C 54.972 . 1 826 80 80 LYS CB C 35.774 . 1 827 80 80 LYS CD C 29.96 . 1 828 80 80 LYS CE C 41.7 . 1 829 80 80 LYS CG C 25.502 . 1 830 80 80 LYS N N 128.403 . 1 831 81 81 ASN H H 8.508 . 1 832 81 81 ASN HA H 5.127 . 1 833 81 81 ASN HB2 H 2.975 . 2 834 81 81 ASN HB3 H 2.975 . 2 835 81 81 ASN HD21 H 7.500 . 2 836 81 81 ASN HD22 H 7.500 . 2 837 81 81 ASN C C 173.643 . 1 838 81 81 ASN CA C 53.279 . 1 839 81 81 ASN CB C 42.00 . 1 840 81 81 ASN N N 121.296 . 1 841 81 81 ASN ND2 N 109.242 . 1 842 82 82 PHE H H 8.156 . 1 843 82 82 PHE HA H 4.927 . 1 844 82 82 PHE HB2 H 2.995 . 2 845 82 82 PHE HB3 H 2.874 . 2 846 82 82 PHE HD1 H 7.02 . 3 847 82 82 PHE HD2 H 7.02 . 3 848 82 82 PHE HE1 H 7.02 . 3 849 82 82 PHE HE2 H 7.02 . 3 850 82 82 PHE C C 175.732 . 1 851 82 82 PHE CA C 57.383 . 1 852 82 82 PHE CB C 40.669 . 1 853 82 82 PHE CD1 C 131.72 . 3 854 82 82 PHE CD2 C 131.72 . 3 855 82 82 PHE CE1 C 131.72 . 3 856 82 82 PHE CE2 C 131.72 . 3 857 82 82 PHE N N 120.713 . 1 858 83 83 SER H H 8.831 . 1 859 83 83 SER HA H 4.627 . 1 860 83 83 SER HB2 H 3.92 . 2 861 83 83 SER HB3 H 4.08 . 2 862 83 83 SER C C 174.941 . 1 863 83 83 SER CA C 58.428 . 1 864 83 83 SER CB C 63.94 . 1 865 83 83 SER N N 116.911 . 1 866 84 84 GLY H H 8.351 . 1 867 84 84 GLY HA2 H 4.161 . 2 868 84 84 GLY HA3 H 3.968 . 2 869 84 84 GLY C C 174.732 . 1 870 84 84 GLY CA C 45.594 . 1 871 84 84 GLY N N 110.308 . 1 872 85 85 GLU H H 8.533 . 1 873 85 85 GLU HA H 4.200 . 1 874 85 85 GLU HB2 H 2.060 . 2 875 85 85 GLU HB3 H 1.957 . 2 876 85 85 GLU HG2 H 2.237 . 2 877 85 85 GLU HG3 H 2.242 . 2 878 85 85 GLU C C 176.822 . 1 879 85 85 GLU CA C 57.780 . 1 880 85 85 GLU CB C 29.999 . 1 881 85 85 GLU CG C 36.176 . 1 882 85 85 GLU N N 120.362 . 1 883 86 86 ASP H H 8.232 . 1 884 86 86 ASP HA H 4.697 . 1 885 86 86 ASP HB2 H 2.758 . 2 886 86 86 ASP HB3 H 2.758 . 2 887 86 86 ASP C C 176.210 . 1 888 86 86 ASP CA C 53.876 . 1 889 86 86 ASP CB C 41.042 . 1 890 86 86 ASP N N 118.213 . 1 891 87 87 SER H H 8.013 . 1 892 87 87 SER HA H 4.19 . 1 893 87 87 SER HB2 H 3.97 . 2 894 87 87 SER HB3 H 3.970 . 2 895 87 87 SER C C 174.180 . 1 896 87 87 SER CA C 59.270 . 1 897 87 87 SER CB C 62.572 . 1 898 87 87 SER N N 113.535 . 1 899 88 88 SER H H 8.092 . 1 900 88 88 SER HA H 4.42 . 1 901 88 88 SER HB2 H 3.969 . 2 902 88 88 SER HB3 H 3.841 . 2 903 88 88 SER C C 174.494 . 1 904 88 88 SER CA C 59.123 . 1 905 88 88 SER CB C 64.173 . 1 906 88 88 SER N N 114.923 . 1 907 89 89 GLU H H 8.324 . 1 908 89 89 GLU HA H 4.294 . 1 909 89 89 GLU HB2 H 1.880 . 2 910 89 89 GLU HB3 H 1.889 . 2 911 89 89 GLU HG2 H 2.132 . 2 912 89 89 GLU HG3 H 2.132 . 2 913 89 89 GLU C C 175.643 . 1 914 89 89 GLU CA C 56.592 . 1 915 89 89 GLU CB C 29.729 . 1 916 89 89 GLU CG C 35.997 . 1 917 89 89 GLU N N 123.265 . 1 918 90 90 ILE H H 8.179 . 1 919 90 90 ILE HA H 4.304 . 1 920 90 90 ILE HB H 1.616 . 1 921 90 90 ILE HD1 H 0.742 . 1 922 90 90 ILE HG12 H 1.323 . 1 923 90 90 ILE HG13 H 1.323 . 1 924 90 90 ILE HG2 H 0.585 . 2 925 90 90 ILE C C 175.419 . 1 926 90 90 ILE CA C 60.840 . 1 927 90 90 ILE CB C 39.973 . 1 928 90 90 ILE CD1 C 13.695 . 1 929 90 90 ILE CG1 C 27.399 . 2 930 90 90 ILE CG2 C 17.746 . 1 931 90 90 ILE N N 123.140 . 1 932 91 91 ASP H H 8.118 . 1 933 91 91 ASP HA H 4.773 . 1 934 91 91 ASP HB2 H 2.657 . 2 935 91 91 ASP HB3 H 2.537 . 2 936 91 91 ASP C C 174.329 . 1 937 91 91 ASP CA C 53.603 . 1 938 91 91 ASP CB C 43.182 . 1 939 91 91 ASP N N 124.945 . 1 940 92 92 GLU H H 8.310 . 1 941 92 92 GLU HA H 5.203 . 1 942 92 92 GLU HB2 H 1.883 . 2 943 92 92 GLU HB3 H 1.770 . 2 944 92 92 GLU HG2 H 1.988 . 2 945 92 92 GLU HG3 H 1.988 . 2 946 92 92 GLU C C 174.852 . 1 947 92 92 GLU CA C 55.219 . 1 948 92 92 GLU CB C 32.983 . 1 949 92 92 GLU CG C 36.982 . 1 950 92 92 GLU N N 122.401 . 1 951 93 93 LYS H H 8.804 . 1 952 93 93 LYS HA H 4.883 . 1 953 93 93 LYS HB2 H 1.912 . 2 954 93 93 LYS HB3 H 1.800 . 2 955 93 93 LYS HD2 H 1.7 . 2 956 93 93 LYS HD3 H 1.7 . 2 957 93 93 LYS HE2 H 2.995 . 2 958 93 93 LYS HE3 H 2.995 . 2 959 93 93 LYS HG2 H 1.501 . 2 960 93 93 LYS HG3 H 1.41 . 2 961 93 93 LYS C C 174.762 . 1 962 93 93 LYS CA C 54.795 . 1 963 93 93 LYS CB C 35.669 . 1 964 93 93 LYS CD C 29.16 . 1 965 93 93 LYS CE C 41.99 . 1 966 93 93 LYS CG C 23.758 . 1 967 93 93 LYS N N 123.294 . 1 968 94 94 GLU H H 8.960 . 1 969 94 94 GLU HA H 4.074 . 1 970 94 94 GLU HB2 H 1.781 . 2 971 94 94 GLU HB3 H 1.805 . 2 972 94 94 GLU HG2 H 1.923 . 2 973 94 94 GLU HG3 H 1.923 . 2 974 94 94 GLU C C 176.150 . 1 975 94 94 GLU CA C 57.258 . 1 976 94 94 GLU CB C 29.727 . 1 977 94 94 GLU CG C 36.28 . 1 978 94 94 GLU N N 126.272 . 1 979 95 95 VAL H H 8.140 . 1 980 95 95 VAL HA H 4.627 . 1 981 95 95 VAL HB H 1.933 . 1 982 95 95 VAL HG1 H 0.65 . 2 983 95 95 VAL HG2 H 0.65 . 2 984 95 95 VAL C C 174.673 . 1 985 95 95 VAL CA C 59.249 . 1 986 95 95 VAL CB C 35.147 . 1 987 95 95 VAL CG1 C 21.5 . 1 988 95 95 VAL CG2 C 21.5 . 1 989 95 95 VAL N N 119.312 . 1 990 96 96 SER H H 8.469 . 1 991 96 96 SER HA H 4.461 . 1 992 96 96 SER HB2 H 3.756 . 2 993 96 96 SER HB3 H 3.673 . 2 994 96 96 SER C C 172.897 . 1 995 96 96 SER CA C 57.581 . 1 996 96 96 SER CB C 62.397 . 1 997 96 96 SER N N 119.167 . 1 998 97 97 LEU H H 8.210 . 1 999 97 97 LEU HA H 4.7 . 1 1000 97 97 LEU HB2 H 1.81 . 2 1001 97 97 LEU HB3 H 1.14 . 2 1002 97 97 LEU HD1 H 0.852 . 2 1003 97 97 LEU HD2 H 0.852 . 2 1004 97 97 LEU HG H 1.48 . 1 1005 97 97 LEU C C 175.896 . 1 1006 97 97 LEU CA C 51.787 . 1 1007 97 97 LEU CB C 44.8 . 1 1008 97 97 LEU CD1 C 25.1 . 1 1009 97 97 LEU CD2 C 25.1 . 1 1010 97 97 LEU CG C 27.3 . 1 1011 97 97 LEU N N 125.505 . 1 1012 98 98 PRO HA H 4.435 . 1 1013 98 98 PRO HB2 H 1.86 . 2 1014 98 98 PRO HB3 H 2.37 . 2 1015 98 98 PRO HD2 H 3.76 . 2 1016 98 98 PRO HD3 H 3.76 . 2 1017 98 98 PRO HG2 H 2.078 . 2 1018 98 98 PRO HG3 H 2.034 . 2 1019 98 98 PRO C C 175.255 . 1 1020 98 98 PRO CA C 63.383 . 1 1021 98 98 PRO CB C 32.139 . 1 1022 98 98 PRO CD C 50.3 . 1 1023 98 98 PRO CG C 27.219 . 1 1024 99 99 ILE H H 5.743 . 1 1025 99 99 ILE HA H 3.85 . 1 1026 99 99 ILE HB H 1.658 . 1 1027 99 99 ILE HD1 H 0.562 . 1 1028 99 99 ILE HG12 H 1.048 . 1 1029 99 99 ILE HG13 H 1.048 . 1 1030 99 99 ILE HG2 H 1.0 . 2 1031 99 99 ILE C C 174.270 . 1 1032 99 99 ILE CA C 62.419 . 1 1033 99 99 ILE CB C 39.4 . 1 1034 99 99 ILE CD1 C 15.26 . 1 1035 99 99 ILE CG1 C 28.781 . 2 1036 99 99 ILE CG2 C 17.122 . 1 1037 99 99 ILE N N 118.729 . 1 1038 100 100 LYS H H 9.142 . 1 1039 100 100 LYS HA H 4.776 . 1 1040 100 100 LYS HB2 H 1.879 . 2 1041 100 100 LYS HB3 H 1.82 . 2 1042 100 100 LYS HD2 H 1.60 . 2 1043 100 100 LYS HD3 H 1.50 . 2 1044 100 100 LYS HE2 H 2.97 . 2 1045 100 100 LYS HE3 H 3.01 . 2 1046 100 100 LYS HG2 H 1.66 . 2 1047 100 100 LYS HG3 H 1.71 . 2 1048 100 100 LYS C C 175.270 . 1 1049 100 100 LYS CA C 55.791 . 1 1050 100 100 LYS CB C 35.853 . 1 1051 100 100 LYS CG C 29 . 1 1052 100 100 LYS N N 125.316 . 1 1053 101 101 SER H H 8.002 . 1 1054 101 101 SER HA H 4.932 . 1 1055 101 101 SER HB2 H 3.418 . 2 1056 101 101 SER HB3 H 3.63 . 2 1057 101 101 SER C C 173.479 . 1 1058 101 101 SER CA C 56.040 . 1 1059 101 101 SER CB C 64.845 . 1 1060 101 101 SER N N 112.093 . 1 1061 102 102 HIS C C 173.971 . 1 1062 102 102 HIS CA C 56.413 . 1 1063 102 102 HIS CB C 26.790 . 1 1064 103 103 ASN H H 7.568 . 1 1065 103 103 ASN HA H 4.569 . 1 1066 103 103 ASN HB2 H 2.257 . 2 1067 103 103 ASN HB3 H 2.71 . 2 1068 103 103 ASN C C 174.598 . 1 1069 103 103 ASN CA C 52.983 . 1 1070 103 103 ASN CB C 39.251 . 1 1071 103 103 ASN N N 115.814 . 1 1072 104 104 ASP H H 7.410 . 1 1073 104 104 ASP HA H 4.81 . 1 1074 104 104 ASP HB2 H 2.78 . 2 1075 104 104 ASP HB3 H 3.05 . 2 1076 104 104 ASP C C 175.180 . 1 1077 104 104 ASP CA C 54.846 . 1 1078 104 104 ASP CB C 41.564 . 1 1079 104 104 ASP N N 121.759 . 1 1080 105 105 ALA H H 7.769 . 1 1081 105 105 ALA HA H 4.55 . 1 1082 105 105 ALA HB H 1.479 . 1 1083 105 105 ALA C C 176.090 . 1 1084 105 105 ALA CA C 51.450 . 1 1085 105 105 ALA CB C 20.200 . 1 1086 105 105 ALA N N 120.909 . 1 1087 106 106 PHE H H 8.315 . 1 1088 106 106 PHE HA H 6.2 . 1 1089 106 106 PHE HB2 H 3.114 . 2 1090 106 106 PHE HB3 H 3.04 . 2 1091 106 106 PHE HD1 H 7.36 . 3 1092 106 106 PHE HD2 H 7.36 . 3 1093 106 106 PHE HE1 H 7.308 . 3 1094 106 106 PHE HE2 H 7.308 . 3 1095 106 106 PHE HZ H 6.614 . 1 1096 106 106 PHE C C 175.016 . 1 1097 106 106 PHE CA C 56.089 . 1 1098 106 106 PHE CB C 43.280 . 1 1099 106 106 PHE CD1 C 132.8 . 3 1100 106 106 PHE CD2 C 132.8 . 3 1101 106 106 PHE CE1 C 133.8 . 3 1102 106 106 PHE CZ C 129.5 . 1 1103 106 106 PHE N N 114.099 . 1 1104 107 107 MET H H 8.874 . 1 1105 107 107 MET HA H 5.380 . 1 1106 107 107 MET HB2 H 1.815 . 2 1107 107 107 MET HB3 H 1.441 . 2 1108 107 107 MET HE H 0.148 . 1 1109 107 107 MET HG2 H 2.22 . 2 1110 107 107 MET HG3 H 1.96 . 2 1111 107 107 MET C C 173.732 . 1 1112 107 107 MET CA C 55.294 . 1 1113 107 107 MET CB C 38.8 . 1 1114 107 107 MET CE C 14.5 . 1 1115 107 107 MET CG C 31.4 . 1 1116 107 107 MET N N 115.099 . 1 1117 108 108 PHE H H 9.609 . 1 1118 108 108 PHE HA H 5.002 . 1 1119 108 108 PHE HB2 H 2.8 . 2 1120 108 108 PHE HB3 H 2.26 . 2 1121 108 108 PHE HD1 H 6.68 . 3 1122 108 108 PHE HD2 H 6.68 . 3 1123 108 108 PHE HE1 H 7.28 . 3 1124 108 108 PHE HE2 H 7.28 . 3 1125 108 108 PHE HZ H 7.22 . 1 1126 108 108 PHE C C 175.046 . 1 1127 108 108 PHE CA C 57.398 . 1 1128 108 108 PHE CB C 41.963 . 1 1129 108 108 PHE CD1 C 132.8 . 3 1130 108 108 PHE CD2 C 132.8 . 3 1131 108 108 PHE CE1 C 130.5 . 3 1132 108 108 PHE CE2 C 130.5 . 3 1133 108 108 PHE CZ C 132.8 . 1 1134 108 108 PHE N N 122.006 . 1 1135 109 109 VAL H H 9.406 . 1 1136 109 109 VAL HA H 5.012 . 1 1137 109 109 VAL HB H 2.336 . 1 1138 109 109 VAL HG1 H 0.79 . 2 1139 109 109 VAL HG2 H 0.919 . 2 1140 109 109 VAL C C 176.807 . 1 1141 109 109 VAL CA C 61.8 . 1 1142 109 109 VAL CB C 33.580 . 1 1143 109 109 VAL CG1 C 20.9 . 1 1144 109 109 VAL CG2 C 22.08 . 1 1145 109 109 VAL N N 123.891 . 1 1146 110 110 CYS H H 9.345 . 1 1147 110 110 CYS HA H 5.914 . 1 1148 110 110 CYS HB2 H 2.916 . 2 1149 110 110 CYS HB3 H 2.6 . 2 1150 110 110 CYS C C 172.076 . 1 1151 110 110 CYS CA C 55.791 . 1 1152 110 110 CYS CB C 48.280 . 1 1153 110 110 CYS N N 126.465 . 1 1154 111 111 SER H H 9.180 . 1 1155 111 111 SER HA H 4.638 . 1 1156 111 111 SER HB2 H 3.82 . 2 1157 111 111 SER HB3 H 3.82 . 2 1158 111 111 SER C C 171.986 . 1 1159 111 111 SER CA C 57.607 . 1 1160 111 111 SER CB C 66.263 . 1 1161 111 111 SER N N 114.252 . 1 1162 112 112 SER H H 9.305 . 1 1163 112 112 SER HA H 5.248 . 1 1164 112 112 SER HB2 H 3.512 . 2 1165 112 112 SER HB3 H 3.449 . 2 1166 112 112 SER C C 175.613 . 1 1167 112 112 SER CA C 56.115 . 1 1168 112 112 SER CB C 65.316 . 1 1169 112 112 SER N N 114.194 . 1 1170 113 113 ASN H H 8.913 . 1 1171 113 113 ASN HA H 4.756 . 1 1172 113 113 ASN HB2 H 3.004 . 2 1173 113 113 ASN HB3 H 2.806 . 2 1174 113 113 ASN HD21 H 6.830 . 2 1175 113 113 ASN HD22 H 6.830 . 2 1176 113 113 ASN C C 176.523 . 1 1177 113 113 ASN CA C 54.005 . 1 1178 113 113 ASN CB C 38.580 . 1 1179 113 113 ASN N N 124.943 . 1 1180 113 113 ASN ND2 N 111.297 . 1 1181 114 114 ASP H H 8.249 . 1 1182 114 114 ASP HA H 4.61 . 1 1183 114 114 ASP HB2 H 2.91 . 2 1184 114 114 ASP HB3 H 2.595 . 2 1185 114 114 ASP C C 177.195 . 1 1186 114 114 ASP CA C 54.298 . 1 1187 114 114 ASP CB C 41.340 . 1 1188 114 114 ASP N N 116.477 . 1 1189 115 115 GLY H H 8.034 . 1 1190 115 115 GLY HA2 H 4.107 . 2 1191 115 115 GLY HA3 H 3.802 . 2 1192 115 115 GLY C C 173.568 . 1 1193 115 115 GLY CA C 45.892 . 1 1194 115 115 GLY N N 109.844 . 1 1195 116 116 SER H H 8.378 . 1 1196 116 116 SER HA H 4.481 . 1 1197 116 116 SER HB2 H 3.889 . 2 1198 116 116 SER HB3 H 3.889 . 2 1199 116 116 SER C C 173.106 . 1 1200 116 116 SER CA C 59.547 . 1 1201 116 116 SER CB C 63.950 . 1 1202 116 116 SER N N 114.224 . 1 1203 117 117 ALA H H 8.867 . 1 1204 117 117 ALA HA H 4.747 . 1 1205 117 117 ALA HB H 1.490 . 1 1206 117 117 ALA C C 177.225 . 1 1207 117 117 ALA CA C 51.960 . 1 1208 117 117 ALA CB C 21.094 . 1 1209 117 117 ALA N N 125.138 . 1 1210 118 118 LEU H H 8.433 . 1 1211 118 118 LEU HA H 4.84 . 1 1212 118 118 LEU HB2 H 1.608 . 2 1213 118 118 LEU HB3 H 1.46 . 2 1214 118 118 LEU HD1 H 0.893 . 2 1215 118 118 LEU HD2 H 0.893 . 2 1216 118 118 LEU HG H 1.57 . 1 1217 118 118 LEU C C 175.255 . 1 1218 118 118 LEU CA C 54.821 . 1 1219 118 118 LEU CB C 45.270 . 1 1220 118 118 LEU CD1 C 25.2 . 1 1221 118 118 LEU CD2 C 25.2 . 1 1222 118 118 LEU CG C 27.509 . 1 1223 118 118 LEU N N 121.989 . 1 1224 119 119 GLN H H 8.861 . 1 1225 119 119 GLN HA H 5.258 . 1 1226 119 119 GLN HB2 H 2.018 . 2 1227 119 119 GLN HB3 H 2.018 . 2 1228 119 119 GLN HG2 H 2.326 . 2 1229 119 119 GLN HG3 H 2.255 . 2 1230 119 119 GLN C C 174.688 . 1 1231 119 119 GLN CA C 54.473 . 1 1232 119 119 GLN CB C 32.661 . 1 1233 119 119 GLN CG C 33.400 . 1 1234 119 119 GLN N N 122.289 . 1 1235 120 120 CYS H H 8.971 . 1 1236 120 120 CYS HA H 5.681 . 1 1237 120 120 CYS HB2 H 2.759 . 2 1238 120 120 CYS HB3 H 2.562 . 2 1239 120 120 CYS C C 172.718 . 1 1240 120 120 CYS CA C 55.692 . 1 1241 120 120 CYS CB C 49.548 . 1 1242 120 120 CYS N N 115.343 . 1 1243 121 121 ASP H H 9.375 . 1 1244 121 121 ASP HA H 4.963 . 1 1245 121 121 ASP HB2 H 2.565 . 2 1246 121 121 ASP HB3 H 1.996 . 2 1247 121 121 ASP C C 174.523 . 1 1248 121 121 ASP CA C 53.876 . 1 1249 121 121 ASP CB C 42.161 . 1 1250 121 121 ASP N N 125.683 . 1 1251 122 122 VAL H H 8.816 . 1 1252 122 122 VAL HA H 4.64 . 1 1253 122 122 VAL HB H 1.795 . 1 1254 122 122 VAL HG1 H 0.371 . 2 1255 122 122 VAL HG2 H 0.655 . 2 1256 122 122 VAL C C 173.016 . 1 1257 122 122 VAL CA C 61.6 . 1 1258 122 122 VAL CB C 32.8 . 1 1259 122 122 VAL CG1 C 20.97 . 1 1260 122 122 VAL CG2 C 21.58 . 1 1261 122 122 VAL N N 124.277 . 1 1262 123 123 PHE H H 9.304 . 1 1263 123 123 PHE HA H 5.943 . 1 1264 123 123 PHE HB2 H 3.162 . 2 1265 123 123 PHE HB3 H 2.617 . 2 1266 123 123 PHE HD1 H 6.866 . 3 1267 123 123 PHE HD2 H 6.866 . 3 1268 123 123 PHE HE1 H 7.013 . 3 1269 123 123 PHE HE2 H 7.013 . 3 1270 123 123 PHE C C 176.583 . 1 1271 123 123 PHE CA C 55.019 . 1 1272 123 123 PHE CB C 43.341 . 1 1273 123 123 PHE CD1 C 132.7 . 3 1274 123 123 PHE CD2 C 132.7 . 3 1275 123 123 PHE CE1 C 132.7 . 3 1276 123 123 PHE CE2 C 132.7 . 3 1277 123 123 PHE N N 124.876 . 1 1278 124 124 ALA H H 9.154 . 1 1279 124 124 ALA HA H 5.789 . 1 1280 124 124 ALA HB H 1.332 . 1 1281 124 124 ALA C C 175.553 . 1 1282 124 124 ALA CA C 51.9 . 1 1283 124 124 ALA CB C 23.971 . 1 1284 124 124 ALA N N 119.636 . 1 1285 125 125 LEU H H 8.102 . 1 1286 125 125 LEU HA H 4.058 . 1 1287 125 125 LEU HB2 H 0.7 . 2 1288 125 125 LEU HB3 H 0.7 . 2 1289 125 125 LEU HD1 H 0.2 . 2 1290 125 125 LEU HD2 H -0.03 . 2 1291 125 125 LEU HG H -0.762 . 1 1292 125 125 LEU C C 174.553 . 1 1293 125 125 LEU CA C 53.627 . 1 1294 125 125 LEU CB C 43.728 . 1 1295 125 125 LEU CD1 C 24.980 . 1 1296 125 125 LEU CD2 C 22.752 . 1 1297 125 125 LEU CG C 43.7 . 1 1298 125 125 LEU N N 125.444 . 1 1299 126 126 ASP H H 8.130 . 1 1300 126 126 ASP HA H 4.638 . 1 1301 126 126 ASP HB2 H 2.759 . 2 1302 126 126 ASP HB3 H 2.641 . 2 1303 126 126 ASP C C 176.807 . 1 1304 126 126 ASP CA C 53.354 . 1 1305 126 126 ASP CB C 41.340 . 1 1306 126 126 ASP N N 125.911 . 1 1307 127 127 ASN H H 8.594 . 1 1308 127 127 ASN HA H 4.500 . 1 1309 127 127 ASN HB2 H 2.769 . 2 1310 127 127 ASN HB3 H 2.769 . 2 1311 127 127 ASN HD21 H 6.612 . 2 1312 127 127 ASN HD22 H 6.612 . 2 1313 127 127 ASN C C 176.434 . 1 1314 127 127 ASN CA C 55.145 . 1 1315 127 127 ASN CB C 39.251 . 1 1316 127 127 ASN N N 123.715 . 1 1317 127 127 ASN ND2 N 112.605 . 1 1318 128 128 THR H H 8.496 . 1 1319 128 128 THR HA H 4.232 . 1 1320 128 128 THR HB H 4.235 . 1 1321 128 128 THR HG2 H 1.155 . 1 1322 128 128 THR C C 174.673 . 1 1323 128 128 THR CA C 63.303 . 1 1324 128 128 THR CB C 69.397 . 1 1325 128 128 THR CG2 C 21.846 . 1 1326 128 128 THR N N 112.323 . 1 1327 129 129 ASN H H 7.885 . 1 1328 129 129 ASN HA H 4.815 . 1 1329 129 129 ASN HB2 H 2.794 . 2 1330 129 129 ASN HB3 H 2.582 . 2 1331 129 129 ASN HD21 H 7.532 . 2 1332 129 129 ASN HD22 H 7.532 . 2 1333 129 129 ASN C C 175.449 . 1 1334 129 129 ASN CA C 52.906 . 1 1335 129 129 ASN CB C 38.953 . 1 1336 129 129 ASN N N 120.909 . 1 1337 129 129 ASN ND2 N 112.067 . 1 1338 130 130 SER H H 8.243 . 1 1339 130 130 SER HA H 4.195 . 1 1340 130 130 SER HB2 H 3.870 . 2 1341 130 130 SER HB3 H 3.811 . 2 1342 130 130 SER C C 176.120 . 1 1343 130 130 SER CA C 59.864 . 1 1344 130 130 SER CB C 63.353 . 1 1345 130 130 SER N N 117.077 . 1 1346 131 131 SER H H 8.303 . 1 1347 131 131 SER HA H 4.304 . 1 1348 131 131 SER HB2 H 3.930 . 2 1349 131 131 SER HB3 H 3.88 . 2 1350 131 131 SER C C 174.822 . 1 1351 131 131 SER CA C 60.95 . 1 1352 131 131 SER CB C 63.353 . 1 1353 131 131 SER N N 117.570 . 1 1354 132 132 ASP H H 7.871 . 1 1355 132 132 ASP HA H 4.599 . 1 1356 132 132 ASP HB2 H 2.680 . 2 1357 132 132 ASP HB3 H 2.680 . 2 1358 132 132 ASP C C 176.762 . 1 1359 132 132 ASP CA C 55.070 . 1 1360 132 132 ASP CB C 41.739 . 1 1361 132 132 ASP N N 120.909 . 1 1362 133 133 GLY H H 7.712 . 1 1363 133 133 GLY HA2 H 4.097 . 2 1364 133 133 GLY HA3 H 3.753 . 2 1365 133 133 GLY C C 173.225 . 1 1366 133 133 GLY CA C 44.922 . 1 1367 133 133 GLY N N 106.126 . 1 1368 134 134 TRP H H 8.191 . 1 1369 134 134 TRP HA H 4.481 . 1 1370 134 134 TRP HB2 H 3.098 . 2 1371 134 134 TRP HB3 H 3.162 . 2 1372 134 134 TRP HD1 H 7.416 . 1 1373 134 134 TRP HE1 H 10.1 . 3 1374 134 134 TRP HE3 H 6.590 . 3 1375 134 134 TRP HH2 H 6.970 . 1 1376 134 134 TRP HZ2 H 7.04 . 3 1377 134 134 TRP HZ3 H 6.86 . 3 1378 134 134 TRP C C 177.254 . 1 1379 134 134 TRP CA C 58.353 . 1 1380 134 134 TRP CB C 30.2 . 1 1381 134 134 TRP CD1 C 120.7 . 3 1382 134 134 TRP CH2 C 124.9 . 1 1383 134 134 TRP CZ2 C 115.2 . 3 1384 134 134 TRP CZ3 C 124.9 . 3 1385 134 134 TRP N N 119.836 . 1 1386 134 134 TRP NE1 N 129.1 . 1 1387 135 135 LYS H H 8.932 . 1 1388 135 135 LYS HA H 4.786 . 1 1389 135 135 LYS HB2 H 1.92 . 2 1390 135 135 LYS HB3 H 1.77 . 2 1391 135 135 LYS HD2 H 1.46 . 2 1392 135 135 LYS HD3 H 1.46 . 2 1393 135 135 LYS HE2 H 3 . 2 1394 135 135 LYS HG2 H 1.77 . 2 1395 135 135 LYS HG3 H 1.65 . 2 1396 135 135 LYS C C 175.016 . 1 1397 135 135 LYS CA C 55.019 . 1 1398 135 135 LYS CB C 35.371 . 1 1399 135 135 LYS CD C 24 . 1 1400 135 135 LYS CE C 41.990 . 1 1401 135 135 LYS CG C 28.9 . 1 1402 135 135 LYS N N 124.161 . 1 1403 136 136 VAL H H 8.230 . 1 1404 136 136 VAL HA H 5.356 . 1 1405 136 136 VAL HB H 1.391 . 1 1406 136 136 VAL HG1 H -0.222 . 2 1407 136 136 VAL HG2 H 0.477 . 2 1408 136 136 VAL C C 174.240 . 1 1409 136 136 VAL CA C 59.222 . 1 1410 136 136 VAL CB C 35.680 . 1 1411 136 136 VAL CG1 C 20.713 . 1 1412 136 136 VAL CG2 C 18.084 . 1 1413 136 136 VAL N N 118.667 . 1 1414 137 137 ASN H H 8.204 . 1 1415 137 137 ASN HA H 4.855 . 1 1416 137 137 ASN HB2 H 2.694 . 2 1417 137 137 ASN HB3 H 2.444 . 2 1418 137 137 ASN HD21 H 7.513 . 2 1419 137 137 ASN HD22 H 7.513 . 2 1420 137 137 ASN C C 172.986 . 1 1421 137 137 ASN CA C 53.205 . 1 1422 137 137 ASN CB C 44.325 . 1 1423 137 137 ASN N N 121.395 . 1 1424 138 138 THR H H 8.361 . 1 1425 138 138 THR HA H 5.179 . 1 1426 138 138 THR HB H 3.654 . 1 1427 138 138 THR HG2 H 1.106 . 1 1428 138 138 THR C C 173.792 . 1 1429 138 138 THR CA C 62.308 . 1 1430 138 138 THR CB C 70.814 . 1 1431 138 138 THR CG2 C 21.577 . 1 1432 138 138 THR N N 118.581 . 1 1433 139 139 VAL H H 9.333 . 1 1434 139 139 VAL HA H 4.579 . 1 1435 139 139 VAL HB H 1.952 . 1 1436 139 139 VAL HG1 H 0.909 . 2 1437 139 139 VAL HG2 H 0.909 . 2 1438 139 139 VAL C C 172.494 . 1 1439 139 139 VAL CA C 59.229 . 1 1440 139 139 VAL CB C 35.819 . 1 1441 139 139 VAL CG1 C 21.756 . 1 1442 139 139 VAL CG2 C 20.412 . 1 1443 139 139 VAL N N 124.995 . 1 1444 140 140 ASP H H 8.507 . 1 1445 140 140 ASP HA H 4.79 . 1 1446 140 140 ASP HB2 H 2.81 . 2 1447 140 140 ASP HB3 H 2.523 . 2 1448 140 140 ASP C C 176.628 . 1 1449 140 140 ASP CA C 53.802 . 1 1450 140 140 ASP CB C 41.863 . 1 1451 140 140 ASP N N 128.523 . 1 1452 141 141 LEU H H 8.155 . 1 1453 141 141 LEU HA H 4.235 . 1 1454 141 141 LEU HB2 H 1.72 . 2 1455 141 141 LEU HB3 H 1.628 . 2 1456 141 141 LEU HD1 H 0.93 . 2 1457 141 141 LEU HD2 H 1.006 . 2 1458 141 141 LEU HG H 1.008 . 1 1459 141 141 LEU C C 176.553 . 1 1460 141 141 LEU CA C 57 . 1 1461 141 141 LEU CB C 42.609 . 1 1462 141 141 LEU CD1 C 27.2 . 1 1463 141 141 LEU CD2 C 23.8 . 1 1464 141 141 LEU CG C 26.4 . 1 1465 141 141 LEU N N 123.606 . 1 1466 142 142 GLY H H 8.939 . 1 1467 142 142 GLY HA2 H 3.999 . 2 1468 142 142 GLY HA3 H 3.699 . 2 1469 142 142 GLY C C 174.180 . 1 1470 142 142 GLY CA C 46.414 . 1 1471 142 142 GLY N N 106.037 . 1 1472 143 143 VAL H H 7.226 . 1 1473 143 143 VAL HA H 4.579 . 1 1474 143 143 VAL HB H 2.041 . 1 1475 143 143 VAL HG1 H 0.919 . 2 1476 143 143 VAL HG2 H 0.732 . 2 1477 143 143 VAL C C 174.255 . 1 1478 143 143 VAL CA C 59.153 . 1 1479 143 143 VAL CB C 35.744 . 1 1480 143 143 VAL CG1 C 21.858 . 1 1481 143 143 VAL CG2 C 20.401 . 1 1482 143 143 VAL N N 112.058 . 1 1483 144 144 SER H H 8.361 . 1 1484 144 144 SER HA H 5.111 . 1 1485 144 144 SER HB2 H 3.901 . 2 1486 144 144 SER HB3 H 3.753 . 2 1487 144 144 SER C C 174.300 . 1 1488 144 144 SER CA C 57.158 . 1 1489 144 144 SER CB C 64.545 . 1 1490 144 144 SER N N 118.581 . 1 1491 145 145 VAL H H 8.487 . 1 1492 145 145 VAL HA H 3.644 . 1 1493 145 145 VAL HB H 2.027 . 1 1494 145 145 VAL HG1 H 0.866 . 2 1495 145 145 VAL HG2 H 0.909 . 2 1496 145 145 VAL C C 174.762 . 1 1497 145 145 VAL CA C 64.796 . 1 1498 145 145 VAL CB C 32.386 . 1 1499 145 145 VAL CG1 C 22.1 . 1 1500 145 145 VAL CG2 C 22.1 . 1 1501 145 145 VAL N N 120.026 . 1 1502 146 146 SER H H 6.862 . 1 1503 146 146 SER HA H 4.864 . 1 1504 146 146 SER HB2 H 3.841 . 2 1505 146 146 SER HB3 H 3.761 . 2 1506 146 146 SER C C 170.912 . 1 1507 146 146 SER CA C 56.861 . 1 1508 146 146 SER CB C 63.743 . 1 1509 146 146 SER N N 119.542 . 1 1510 147 147 PRO HA H 4.205 . 1 1511 147 147 PRO HB2 H 2.129 . 2 1512 147 147 PRO HB3 H 1.805 . 2 1513 147 147 PRO HD2 H 3.76 . 2 1514 147 147 PRO HD3 H 3.66 . 2 1515 147 147 PRO HG2 H 1.803 . 2 1516 147 147 PRO HG3 H 1.803 . 2 1517 147 147 PRO C C 175.628 . 1 1518 147 147 PRO CA C 64.126 . 1 1519 147 147 PRO CB C 32.064 . 1 1520 147 147 PRO CD C 51 . 1 1521 147 147 PRO CG C 28 . 1 1522 148 148 ASP H H 8.460 . 1 1523 148 148 ASP HA H 4.973 . 1 1524 148 148 ASP HB2 H 2.85 . 2 1525 148 148 ASP HB3 H 2.773 . 2 1526 148 148 ASP C C 175.747 . 1 1527 148 148 ASP CA C 54.756 . 1 1528 148 148 ASP CB C 38.878 . 1 1529 148 148 ASP N N 116.313 . 1 1530 149 149 LEU H H 7.561 . 1 1531 149 149 LEU HA H 4.481 . 1 1532 149 149 LEU HB2 H 1.698 . 2 1533 149 149 LEU HB3 H 0.9 . 2 1534 149 149 LEU HD1 H 0.952 . 2 1535 149 149 LEU HD2 H 0.633 . 2 1536 149 149 LEU HG H 0.84 . 1 1537 149 149 LEU C C 175.120 . 1 1538 149 149 LEU CA C 55.290 . 1 1539 149 149 LEU CB C 43.952 . 1 1540 149 149 LEU CD1 C 27.219 . 1 1541 149 149 LEU CD2 C 23.316 . 1 1542 149 149 LEU N N 117.994 . 1 1543 150 150 ALA H H 7.941 . 1 1544 150 150 ALA HA H 5.615 . 1 1545 150 150 ALA HB H 0.624 . 1 1546 150 150 ALA C C 175.180 . 1 1547 150 150 ALA CA C 49.700 . 1 1548 150 150 ALA CB C 21.398 . 1 1549 150 150 ALA N N 118.843 . 1 1550 151 151 PHE H H 8.538 . 1 1551 151 151 PHE HA H 5.032 . 1 1552 151 151 PHE HB2 H 2.690 . 2 1553 151 151 PHE HB3 H 2.63 . 2 1554 151 151 PHE HD1 H 7.24 . 3 1555 151 151 PHE HD2 H 7.24 . 3 1556 151 151 PHE HE1 H 7.115 . 3 1557 151 151 PHE HE2 H 7.115 . 3 1558 151 151 PHE HZ H 7.244 . 1 1559 151 151 PHE C C 175.061 . 1 1560 151 151 PHE CA C 55.592 . 1 1561 151 151 PHE CB C 42.758 . 1 1562 151 151 PHE CD1 C 132.8 . 3 1563 151 151 PHE CD2 C 132.8 . 3 1564 151 151 PHE CE1 C 132.8 . 3 1565 151 151 PHE CE2 C 132.8 . 3 1566 151 151 PHE N N 117.045 . 1 1567 152 152 GLY H H 7.546 . 1 1568 152 152 GLY HA2 H 3.893 . 2 1569 152 152 GLY HA3 H 3.147 . 2 1570 152 152 GLY C C 182.075 . 1 1571 152 152 GLY CA C 44.176 . 1 1572 152 152 GLY N N 107.829 . 1 1573 153 153 LEU H H 7.933 . 1 1574 153 153 LEU HA H 5.366 . 1 1575 153 153 LEU HB2 H 1.569 . 2 1576 153 153 LEU HB3 H 1.440 . 2 1577 153 153 LEU HD1 H 0.906 . 2 1578 153 153 LEU HD2 H 0.906 . 2 1579 153 153 LEU HG H 1.51 . 1 1580 153 153 LEU C C 175.926 . 1 1581 153 153 LEU CA C 53.300 . 1 1582 153 153 LEU CB C 47.161 . 1 1583 153 153 LEU CD1 C 25.90 . 1 1584 153 153 LEU CD2 C 25.90 . 1 1585 153 153 LEU CG C 26.960 . 1 1586 153 153 LEU N N 116.664 . 1 1587 154 154 THR H H 9.610 . 1 1588 154 154 THR HA H 4.65 . 1 1589 154 154 THR HB H 4.107 . 1 1590 154 154 THR HG2 H 1.205 . 1 1591 154 154 THR C C 172.628 . 1 1592 154 154 THR CA C 61.862 . 1 1593 154 154 THR CB C 70.995 . 1 1594 154 154 THR CG2 C 21.676 . 1 1595 154 154 THR N N 122.745 . 1 1596 155 155 ALA H H 8.104 . 1 1597 155 155 ALA HA H 4.402 . 1 1598 155 155 ALA HB H 1.146 . 1 1599 155 155 ALA C C 175.687 . 1 1600 155 155 ALA CA C 52.184 . 1 1601 155 155 ALA CB C 21.044 . 1 1602 155 155 ALA N N 125.911 . 1 1603 156 156 ASP H H 9.069 . 1 1604 156 156 ASP HA H 4.667 . 1 1605 156 156 ASP HB2 H 2.902 . 2 1606 156 156 ASP HB3 H 2.683 . 2 1607 156 156 ASP C C 177.269 . 1 1608 156 156 ASP CA C 55.443 . 1 1609 156 156 ASP CB C 40.759 . 1 1610 156 156 ASP N N 123.464 . 1 1611 157 157 GLY H H 8.723 . 1 1612 157 157 GLY HA2 H 4.094 . 2 1613 157 157 GLY HA3 H 3.929 . 2 1614 157 157 GLY C C 174.896 . 1 1615 157 157 GLY CA C 47.235 . 1 1616 157 157 GLY N N 113.184 . 1 1617 158 158 VAL H H 8.117 . 1 1618 158 158 VAL HA H 4.618 . 1 1619 158 158 VAL HB H 2.327 . 1 1620 158 158 VAL HG1 H 1.21 . 2 1621 158 158 VAL HG2 H 1.255 . 2 1622 158 158 VAL C C 175.747 . 1 1623 158 158 VAL CA C 63.032 . 1 1624 158 158 VAL CB C 31.819 . 1 1625 158 158 VAL CG1 C 22.831 . 1 1626 158 158 VAL CG2 C 21.5 . 1 1627 158 158 VAL N N 119.742 . 1 1628 159 159 LYS H H 8.494 . 1 1629 159 159 LYS HA H 4.46 . 1 1630 159 159 LYS HB2 H 1.84 . 2 1631 159 159 LYS HB3 H 1.84 . 2 1632 159 159 LYS C C 174.852 . 1 1633 159 159 LYS CA C 55.754 . 1 1634 159 159 LYS CB C 34.326 . 1 1635 159 159 LYS CD C 29.055 . 1 1636 159 159 LYS CE C 42.081 . 1 1637 159 159 LYS CG C 24.773 . 1 1638 159 159 LYS N N 129.878 . 1 1639 160 160 VAL H H 8.988 . 1 1640 160 160 VAL HA H 3.4 . 1 1641 160 160 VAL HB H 2.26 . 1 1642 160 160 VAL HG1 H 0.919 . 2 1643 160 160 VAL HG2 H 0.849 . 2 1644 160 160 VAL C C 175.837 . 1 1645 160 160 VAL CA C 61.935 . 1 1646 160 160 VAL CB C 29.849 . 1 1647 160 160 VAL CG1 C 23.607 . 1 1648 160 160 VAL CG2 C 21.312 . 1 1649 160 160 VAL N N 122.308 . 1 1650 162 162 LYS H H 8.353 . 1 1651 162 162 LYS C C 173.941 . 1 1652 162 162 LYS CA C 56.264 . 1 1653 162 162 LYS CB C 33.207 . 1 1654 162 162 LYS N N 122.710 . 1 1655 163 163 LEU H H 8.474 . 1 1656 163 163 LEU HA H 5.317 . 1 1657 163 163 LEU HB2 H 1.933 . 2 1658 163 163 LEU HB3 H 1.37 . 2 1659 163 163 LEU HD1 H 0.894 . 2 1660 163 163 LEU HD2 H 0.894 . 2 1661 163 163 LEU HG H 1.77 . 1 1662 163 163 LEU C C 175.344 . 1 1663 163 163 LEU CA C 53.951 . 1 1664 163 163 LEU CB C 44.027 . 1 1665 163 163 LEU CD1 C 26.4 . 1 1666 163 163 LEU CD2 C 26.4 . 1 1667 163 163 LEU CG C 28.5 . 1 1668 163 163 LEU N N 122.390 . 1 1669 164 164 TYR H H 9.426 . 1 1670 164 164 TYR HA H 5.504 . 1 1671 164 164 TYR HB2 H 2.781 . 2 1672 164 164 TYR HB3 H 2.582 . 2 1673 164 164 TYR HD1 H 7.34 . 3 1674 164 164 TYR HD2 H 7.34 . 3 1675 164 164 TYR HE1 H 6.70 . 3 1676 164 164 TYR HE2 H 6.70 . 3 1677 164 164 TYR C C 174.523 . 1 1678 164 164 TYR CA C 56.057 . 1 1679 164 164 TYR CB C 44.778 . 1 1680 164 164 TYR CD1 C 131.7 . 3 1681 164 164 TYR CD2 C 131.7 . 3 1682 164 164 TYR CE1 C 116.4 . 3 1683 164 164 TYR CE2 C 116.4 . 3 1684 164 164 TYR N N 116.766 . 1 1685 165 165 ALA H H 8.974 . 1 1686 165 165 ALA HA H 5.209 . 1 1687 165 165 ALA HB H 1.365 . 1 1688 165 165 ALA C C 176.941 . 1 1689 165 165 ALA CA C 50.597 . 1 1690 165 165 ALA CB C 22.980 . 1 1691 165 165 ALA N N 120.465 . 1 1692 166 166 SER H H 8.690 . 1 1693 166 166 SER HA H 4.737 . 1 1694 166 166 SER HB2 H 4.100 . 2 1695 166 166 SER HB3 H 3.944 . 2 1696 166 166 SER C C 175.807 . 1 1697 166 166 SER CA C 60.200 . 1 1698 166 166 SER CB C 64.148 . 1 1699 166 166 SER N N 117.319 . 1 1700 167 167 SER H H 8.780 . 1 1701 167 167 SER HA H 4.147 . 1 1702 167 167 SER HB2 H 3.991 . 2 1703 167 167 SER HB3 H 3.878 . 2 1704 167 167 SER C C 175.568 . 1 1705 167 167 SER CA C 60.990 . 1 1706 167 167 SER CB C 63.202 . 1 1707 167 167 SER N N 117.695 . 1 1708 168 168 GLY H H 8.375 . 1 1709 168 168 GLY HA2 H 3.956 . 2 1710 168 168 GLY HA3 H 3.956 . 2 1711 168 168 GLY C C 174.076 . 1 1712 168 168 GLY CA C 45.592 . 1 1713 168 168 GLY N N 111.116 . 1 1714 169 169 LEU H H 7.766 . 1 1715 169 169 LEU HA H 4.469 . 1 1716 169 169 LEU HB2 H 1.667 . 2 1717 169 169 LEU HB3 H 1.667 . 2 1718 169 169 LEU HD1 H 0.838 . 2 1719 169 169 LEU HD2 H 0.838 . 2 1720 169 169 LEU HG H 1.613 . 1 1721 169 169 LEU C C 177.463 . 1 1722 169 169 LEU CA C 54.45 . 1 1723 169 169 LEU CB C 43.2 . 1 1724 169 169 LEU CD1 C 24.773 . 1 1725 169 169 LEU CD2 C 24.773 . 1 1726 169 169 LEU CG C 27. . 1 1727 169 169 LEU N N 120.884 . 1 1728 170 170 THR H H 8.100 . 1 1729 170 170 THR HA H 4.30 . 1 1730 170 170 THR HB H 4.173 . 1 1731 170 170 THR HG2 H 1.155 . 1 1732 170 170 THR C C 172.986 . 1 1733 170 170 THR CA C 61.562 . 1 1734 170 170 THR CB C 69.695 . 1 1735 170 170 THR CG2 C 21.403 . 1 1736 170 170 THR N N 114.923 . 1 1737 171 171 ALA H H 8.313 . 1 1738 171 171 ALA HA H 4.95 . 1 1739 171 171 ALA HB H 1.178 . 1 1740 171 171 ALA C C 177.433 . 1 1741 171 171 ALA CA C 50.200 . 1 1742 171 171 ALA CB C 20.229 . 1 1743 171 171 ALA N N 127.031 . 1 1744 172 172 ILE H H 8.203 . 1 1745 172 172 ILE HA H 4.000 . 1 1746 172 172 ILE HB H 1.846 . 1 1747 172 172 ILE HD1 H 0.704 . 1 1748 172 172 ILE HG12 H 1.451 . 1 1749 172 172 ILE HG13 H 1.451 . 1 1750 172 172 ILE HG2 H 0.998 . 2 1751 172 172 ILE C C 176.105 . 1 1752 172 172 ILE CA C 61.611 . 1 1753 172 172 ILE CB C 37.833 . 1 1754 172 172 ILE CD1 C 12.3 . 1 1755 172 172 ILE CG1 C 27.615 . 2 1756 172 172 ILE CG2 C 19.00 . 1 1757 172 172 ILE N N 122.113 . 1 1758 173 173 ASN H H 8.228 . 1 1759 173 173 ASN HA H 4.547 . 1 1760 173 173 ASN HB2 H 2.680 . 2 1761 173 173 ASN HB3 H 2.680 . 2 1762 173 173 ASN C C 175.792 . 1 1763 173 173 ASN CA C 52.981 . 1 1764 173 173 ASN CB C 39.15 . 1 1765 173 173 ASN N N 121.65 . 1 1766 174 174 ASP H H 8.023 . 1 1767 174 174 ASP HA H 4.566 . 1 1768 174 174 ASP HB2 H 2.697 . 2 1769 174 174 ASP HB3 H 2.544 . 2 1770 174 174 ASP C C 175.434 . 1 1771 174 174 ASP CA C 53.503 . 1 1772 174 174 ASP CB C 40.967 . 1 1773 174 174 ASP N N 117.736 . 1 1774 175 175 ASP H H 8.115 . 1 1775 175 175 ASP HA H 4.472 . 1 1776 175 175 ASP HB2 H 1.678 . 2 1777 175 175 ASP HB3 H 1.987 . 2 1778 175 175 ASP C C 178.105 . 1 1779 175 175 ASP CA C 55.255 . 1 1780 175 175 ASP CB C 42.25 . 1 1781 175 175 ASP N N 123.119 . 1 1782 176 176 PRO HA H 4.444 . 1 1783 176 176 PRO HB2 H 2.383 . 2 1784 176 176 PRO HB3 H 2.052 . 2 1785 176 176 PRO HD2 H 4.095 . 2 1786 176 176 PRO HD3 H 4.005 . 2 1787 176 176 PRO HG2 H 2.062 . 2 1788 176 176 PRO HG3 H 2.03 . 2 1789 176 176 PRO C C 179.463 . 1 1790 176 176 PRO CA C 64.623 . 1 1791 176 176 PRO CB C 32.089 . 1 1792 176 176 PRO CD C 51.602 . 1 1793 176 176 PRO CG C 27.233 . 1 1794 177 177 SER H H 8.760 . 1 1795 177 177 SER HA H 4.322 . 1 1796 177 177 SER HB2 H 3.988 . 2 1797 177 177 SER HB3 H 3.878 . 2 1798 177 177 SER C C 175.508 . 1 1799 177 177 SER CA C 60.965 . 1 1800 177 177 SER CB C 62.930 . 1 1801 177 177 SER N N 116.575 . 1 1802 178 178 LEU H H 7.437 . 1 1803 178 178 LEU HA H 4.477 . 1 1804 178 178 LEU HB2 H 1.984 . 2 1805 178 178 LEU HB3 H 1.668 . 2 1806 178 178 LEU HD1 H 0.65 . 2 1807 178 178 LEU HD2 H 0.502 . 2 1808 178 178 LEU HG H 1.406 . 1 1809 178 178 LEU C C 177.359 . 1 1810 178 178 LEU CA C 54.427 . 1 1811 178 178 LEU CB C 42.317 . 1 1812 178 178 LEU CD1 C 23.5 . 1 1813 178 178 LEU CD2 C 22.5 . 1 1814 178 178 LEU CG C 26.58 . 1 1815 178 178 LEU N N 121.089 . 1 1816 179 179 GLY H H 7.970 . 1 1817 179 179 GLY HA2 H 3.932 . 2 1818 179 179 GLY HA3 H 3.932 . 2 1819 179 179 GLY C C 174.389 . 1 1820 179 179 GLY CA C 46.340 . 1 1821 179 179 GLY N N 108.064 . 1 1822 180 180 CYS H H 7.524 . 1 1823 180 180 CYS HA H 5.180 . 1 1824 180 180 CYS HB2 H 2.893 . 2 1825 180 180 CYS HB3 H 2.429 . 2 1826 180 180 CYS C C 175.016 . 1 1827 180 180 CYS CA C 55.589 . 1 1828 180 180 CYS CB C 41.510 . 1 1829 180 180 CYS N N 116.942 . 1 1830 181 181 LYS H H 8.206 . 1 1831 181 181 LYS HA H 4.342 . 1 1832 181 181 LYS HB2 H 1.867 . 2 1833 181 181 LYS HB3 H 1.753 . 2 1834 181 181 LYS C C 174.538 . 1 1835 181 181 LYS CA C 56.003 . 1 1836 181 181 LYS CB C 33.341 . 1 1837 181 181 LYS CD C 29.100 . 1 1838 181 181 LYS CE C 42.267 . 1 1839 181 181 LYS CG C 24.533 . 1 1840 181 181 LYS N N 124.083 . 1 1841 182 182 ALA H H 7.915 . 1 1842 182 182 ALA HA H 4.14 . 1 1843 182 182 ALA HB H 1.3 . 1 1844 182 182 ALA C C 182.343 . 1 1845 182 182 ALA CA C 53.788 . 1 1846 182 182 ALA CB C 20.149 . 1 1847 182 182 ALA N N 131.820 . 1 stop_ save_