data_16599 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments of clytin ; _BMRB_accession_number 16599 _BMRB_flat_file_name bmr16599.str _Entry_type original _Submission_date 2009-11-09 _Accession_date 2009-11-09 _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 Feng Yingang . . 2 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 531 "13C chemical shifts" 542 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-18 update BMRB 'update entry citation' 2010-10-19 update BMRB 'update entry citation' 2010-09-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR-derived topology of a GFP-photoprotein energy transfer complex.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20926380 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Titushin Maxim S. . 2 Feng Yingang . . 3 Stepanyuk Galina A. . 4 Li Yang . . 5 Markova Svetlana V. . 6 Golz Stefan . . 7 Wang Bi-Cheng . . 8 Lee John . . 9 Wang Jinfeng . . 10 Vysotski Eugene S. . 11 Liu Zhi-Jie . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 52 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 40891 _Page_last 40900 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'clytin monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label component1 $clytin component2 $CZH 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_clytin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common clytin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 198 _Mol_residue_sequence ; MTDTASKYAVKLKTNFEDPK WVNRHKFMFNFLDINGNGKI TLDEIVSKASDDICAKLGAT PAQTQRHQEAVEAFFKKIGL DYGKEVEFPAFVNGWKELAK HDLKLWSQNKKSLIRNWGEA VFDIFDKDGSGSISLDEWKT YGGISGICPSDEDAEKTFKH CDLDNSGKLDVDEMTRQHLG FWYTLDPNADGLYGNFVP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ASP 4 THR 5 ALA 6 SER 7 LYS 8 TYR 9 ALA 10 VAL 11 LYS 12 LEU 13 LYS 14 THR 15 ASN 16 PHE 17 GLU 18 ASP 19 PRO 20 LYS 21 TRP 22 VAL 23 ASN 24 ARG 25 HIS 26 LYS 27 PHE 28 MET 29 PHE 30 ASN 31 PHE 32 LEU 33 ASP 34 ILE 35 ASN 36 GLY 37 ASN 38 GLY 39 LYS 40 ILE 41 THR 42 LEU 43 ASP 44 GLU 45 ILE 46 VAL 47 SER 48 LYS 49 ALA 50 SER 51 ASP 52 ASP 53 ILE 54 CYS 55 ALA 56 LYS 57 LEU 58 GLY 59 ALA 60 THR 61 PRO 62 ALA 63 GLN 64 THR 65 GLN 66 ARG 67 HIS 68 GLN 69 GLU 70 ALA 71 VAL 72 GLU 73 ALA 74 PHE 75 PHE 76 LYS 77 LYS 78 ILE 79 GLY 80 LEU 81 ASP 82 TYR 83 GLY 84 LYS 85 GLU 86 VAL 87 GLU 88 PHE 89 PRO 90 ALA 91 PHE 92 VAL 93 ASN 94 GLY 95 TRP 96 LYS 97 GLU 98 LEU 99 ALA 100 LYS 101 HIS 102 ASP 103 LEU 104 LYS 105 LEU 106 TRP 107 SER 108 GLN 109 ASN 110 LYS 111 LYS 112 SER 113 LEU 114 ILE 115 ARG 116 ASN 117 TRP 118 GLY 119 GLU 120 ALA 121 VAL 122 PHE 123 ASP 124 ILE 125 PHE 126 ASP 127 LYS 128 ASP 129 GLY 130 SER 131 GLY 132 SER 133 ILE 134 SER 135 LEU 136 ASP 137 GLU 138 TRP 139 LYS 140 THR 141 TYR 142 GLY 143 GLY 144 ILE 145 SER 146 GLY 147 ILE 148 CYS 149 PRO 150 SER 151 ASP 152 GLU 153 ASP 154 ALA 155 GLU 156 LYS 157 THR 158 PHE 159 LYS 160 HIS 161 CYS 162 ASP 163 LEU 164 ASP 165 ASN 166 SER 167 GLY 168 LYS 169 LEU 170 ASP 171 VAL 172 ASP 173 GLU 174 MET 175 THR 176 ARG 177 GLN 178 HIS 179 LEU 180 GLY 181 PHE 182 TRP 183 TYR 184 THR 185 LEU 186 ASP 187 PRO 188 ASN 189 ALA 190 ASP 191 GLY 192 LEU 193 TYR 194 GLY 195 ASN 196 PHE 197 VAL 198 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-05 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 3KPX "Crystal Structure Analysis Of Photoprotein Clytin" 100.00 198 100.00 100.00 2.01e-143 GB ADI71937 "apophotoprotein clytin-3 [Clytia gregaria]" 100.00 198 100.00 100.00 2.01e-143 GB ADI71938 "apophotoprotein clytin-5 [Clytia gregaria]" 100.00 198 100.00 100.00 2.01e-143 GB ADI71939 "apophotoprotein clytin-6 [Clytia gregaria]" 100.00 198 100.00 100.00 2.01e-143 stop_ save_ ############# # Ligands # ############# save_CZH _Saveframe_category ligand _Mol_type non-polymer _Name_common "CZH (C2-HYDROPEROXY-COELENTERAZINE)" _BMRB_code . _PDB_code CZH _Molecular_mass 455.462 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:38:24 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C19 C19 C . 0 . ? C2 C2 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? C26 C26 C . 0 . ? C27 C27 C . 0 . ? C28 C28 C . 0 . ? C29 C29 C . 0 . ? C3 C3 C . 0 . ? C30 C30 C . 0 . ? C31 C31 C . 0 . ? C32 C32 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? H17 H17 H . 0 . ? H20 H20 H . 0 . ? H21 H21 H . 0 . ? H23 H23 H . 0 . ? H24 H24 H . 0 . ? H25 H25 H . 0 . ? H261 H261 H . 0 . ? H262 H262 H . 0 . ? H28 H28 H . 0 . ? H29 H29 H . 0 . ? H30 H30 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H34 H34 H . 0 . ? H5 H5 H . 0 . ? N1 N1 N . 0 . ? N4 N4 N . 0 . ? N7 N7 N . 0 . ? O17 O17 O . 0 . ? O18 O18 O . 0 . ? O25 O25 O . 0 . ? O33 O33 O . 0 . ? O34 O34 O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? DOUB N1 C9 ? ? SING C2 C3 ? ? SING C2 C10 ? ? SING C2 O33 ? ? SING C3 N4 ? ? DOUB C3 O18 ? ? SING N4 C5 ? ? SING N4 C9 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 N7 ? ? SING C6 C19 ? ? DOUB N7 C8 ? ? SING C8 C9 ? ? SING C8 C26 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? DOUB C11 C12 ? ? SING C11 C16 ? ? SING C12 C13 ? ? SING C12 H12 ? ? DOUB C13 C14 ? ? SING C13 H13 ? ? SING C14 C15 ? ? SING C14 O17 ? ? DOUB C15 C16 ? ? SING C15 H15 ? ? SING C16 H16 ? ? SING O17 H17 ? ? DOUB C19 C20 ? ? SING C19 C24 ? ? SING C20 C21 ? ? SING C20 H20 ? ? DOUB C21 C22 ? ? SING C21 H21 ? ? SING C22 C23 ? ? SING C22 O25 ? ? DOUB C23 C24 ? ? SING C23 H23 ? ? SING C24 H24 ? ? SING O25 H25 ? ? SING C26 C27 ? ? SING C26 H261 ? ? SING C26 H262 ? ? DOUB C27 C28 ? ? SING C27 C32 ? ? SING C28 C29 ? ? SING C28 H28 ? ? DOUB C29 C30 ? ? SING C29 H29 ? ? SING C30 C31 ? ? SING C30 H30 ? ? DOUB C31 C32 ? ? SING C31 H31 ? ? SING C32 H32 ? ? SING O33 O34 ? ? SING O34 H34 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $clytin 'C. gregaria' 27801 Eukaryota Metazoa Clytia gregaria 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 $clytin 'recombinant technology' . Escherichia coli . pET22b 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 $clytin 1.0 mM '[U-13C; U-15N]' Tris-HCl 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' EDTA 2 mM 'natural abundance' DSS 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HBHANH' '3D HN(CA)CO' 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 component1 _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 3 3 ASP H H 8.49 0.02 1 2 3 3 ASP HA H 4.72 0.02 1 3 3 3 ASP HB2 H 2.74 0.02 2 4 3 3 ASP C C 177 0.3 1 5 3 3 ASP CA C 54 0.3 1 6 3 3 ASP CB C 40.9 0.3 1 7 3 3 ASP N N 121.3 0.2 1 8 4 4 THR H H 8.28 0.02 1 9 4 4 THR HA H 4.23 0.02 1 10 4 4 THR C C 174.7 0.3 1 11 4 4 THR CA C 62.5 0.3 1 12 4 4 THR CB C 69.5 0.3 1 13 4 4 THR N N 115.4 0.2 1 14 5 5 ALA H H 8.4 0.02 1 15 5 5 ALA HA H 4.29 0.02 1 16 5 5 ALA HB H 1.41 0.02 1 17 5 5 ALA C C 178.2 0.3 1 18 5 5 ALA CA C 53.1 0.3 1 19 5 5 ALA CB C 19 0.3 1 20 5 5 ALA N N 125.9 0.2 1 21 6 6 SER H H 8.22 0.02 1 22 6 6 SER HA H 4.36 0.02 1 23 6 6 SER HB2 H 3.86 0.02 2 24 6 6 SER C C 175 0.3 1 25 6 6 SER CA C 59 0.3 1 26 6 6 SER CB C 63.7 0.3 1 27 6 6 SER N N 114.8 0.2 1 28 7 7 LYS H H 8.23 0.02 1 29 7 7 LYS HA H 4.16 0.02 1 30 7 7 LYS HB2 H 1.62 0.02 2 31 7 7 LYS C C 176.4 0.3 1 32 7 7 LYS CA C 57.3 0.3 1 33 7 7 LYS CB C 32.7 0.3 1 34 7 7 LYS N N 123.1 0.2 1 35 8 8 TYR H H 7.92 0.02 1 36 8 8 TYR HA H 4.56 0.02 1 37 8 8 TYR HB2 H 2.89 0.02 2 38 8 8 TYR HB3 H 3.1 0.02 2 39 8 8 TYR C C 175.1 0.3 1 40 8 8 TYR CA C 57.4 0.3 1 41 8 8 TYR CB C 38.8 0.3 1 42 8 8 TYR N N 118.5 0.2 1 43 9 9 ALA H H 8.17 0.02 1 44 9 9 ALA HA H 4.46 0.02 1 45 9 9 ALA HB H 1.38 0.02 1 46 9 9 ALA C C 177 0.3 1 47 9 9 ALA CA C 51.7 0.3 1 48 9 9 ALA CB C 18.9 0.3 1 49 9 9 ALA N N 125.6 0.2 1 50 10 10 VAL H H 8.07 0.02 1 51 10 10 VAL HA H 4 0.02 1 52 10 10 VAL HB H 1.93 0.02 1 53 10 10 VAL C C 175.9 0.3 1 54 10 10 VAL CA C 62.4 0.3 1 55 10 10 VAL CB C 33.1 0.3 1 56 10 10 VAL N N 122.3 0.2 1 57 11 11 LYS H H 8.51 0.02 1 58 11 11 LYS HA H 4.22 0.02 1 59 11 11 LYS HB2 H 1.87 0.02 2 60 11 11 LYS C C 175.9 0.3 1 61 11 11 LYS CA C 56.9 0.3 1 62 11 11 LYS CB C 33.4 0.3 1 63 11 11 LYS N N 128.2 0.2 1 64 12 12 LEU H H 8.4 0.02 1 65 12 12 LEU HA H 4.54 0.02 1 66 12 12 LEU HB2 H 1.64 0.02 2 67 12 12 LEU C C 176.4 0.3 1 68 12 12 LEU CA C 54.6 0.3 1 69 12 12 LEU CB C 43 0.3 1 70 12 12 LEU N N 123 0.2 1 71 13 13 LYS H H 7.13 0.02 1 72 13 13 LYS HA H 4.34 0.02 1 73 13 13 LYS HB2 H 1.71 0.02 2 74 13 13 LYS C C 175.6 0.3 1 75 13 13 LYS CA C 55.5 0.3 1 76 13 13 LYS CB C 33.5 0.3 1 77 13 13 LYS N N 119.9 0.2 1 78 14 14 THR H H 7.82 0.02 1 79 14 14 THR HA H 3.73 0.02 1 80 14 14 THR HB H 2.54 0.02 1 81 14 14 THR C C 173.3 0.3 1 82 14 14 THR CA C 60.9 0.3 1 83 14 14 THR CB C 69.8 0.3 1 84 14 14 THR N N 112.9 0.2 1 85 15 15 ASN H H 7.9 0.02 1 86 15 15 ASN HA H 4.84 0.02 1 87 15 15 ASN HB2 H 2.3 0.02 2 88 15 15 ASN HB3 H 2.87 0.02 2 89 15 15 ASN HD21 H 7.88 0.02 2 90 15 15 ASN HD22 H 6.71 0.02 2 91 15 15 ASN C C 175.3 0.3 1 92 15 15 ASN CA C 52.3 0.3 1 93 15 15 ASN CB C 39.5 0.3 1 94 15 15 ASN N N 120.9 0.2 1 95 15 15 ASN ND2 N 113.5 0.2 1 96 16 16 PHE H H 7.9 0.02 1 97 16 16 PHE HA H 3.93 0.02 1 98 16 16 PHE HB2 H 2.73 0.02 2 99 16 16 PHE C C 176.2 0.3 1 100 16 16 PHE CA C 56.7 0.3 1 101 16 16 PHE CB C 38.4 0.3 1 102 16 16 PHE N N 117.7 0.2 1 103 17 17 GLU H H 8.27 0.02 1 104 17 17 GLU HA H 4.46 0.02 1 105 17 17 GLU HB2 H 2.3 0.02 2 106 17 17 GLU HB3 H 1.99 0.02 2 107 17 17 GLU C C 177.1 0.3 1 108 17 17 GLU CA C 55.3 0.3 1 109 17 17 GLU CB C 29 0.3 1 110 17 17 GLU N N 112.3 0.2 1 111 18 18 ASP H H 7.5 0.02 1 112 18 18 ASP HA H 4.84 0.02 1 113 18 18 ASP HB2 H 2.63 0.02 2 114 18 18 ASP HB3 H 3.13 0.02 2 115 18 18 ASP C C 176.1 0.3 1 116 18 18 ASP CA C 51.9 0.3 1 117 18 18 ASP CB C 43.1 0.3 1 118 18 18 ASP N N 124.7 0.2 1 119 19 19 PRO HA H 4.38 0.02 1 120 19 19 PRO HB2 H 2.05 0.02 2 121 19 19 PRO HB3 H 2.48 0.02 2 122 19 19 PRO C C 178 0.3 1 123 19 19 PRO CA C 64.9 0.3 1 124 19 19 PRO CB C 32.3 0.3 1 125 20 20 LYS H H 9.45 0.02 1 126 20 20 LYS HA H 4.07 0.02 1 127 20 20 LYS HB2 H 1.87 0.02 2 128 20 20 LYS C C 179.4 0.3 1 129 20 20 LYS CA C 59.6 0.3 1 130 20 20 LYS CB C 32.7 0.3 1 131 20 20 LYS N N 119 0.2 1 132 21 21 TRP H H 8.08 0.02 1 133 21 21 TRP C C 176.8 0.3 1 134 21 21 TRP CA C 62.5 0.3 1 135 21 21 TRP CB C 28.3 0.3 1 136 21 21 TRP N N 121.2 0.2 1 137 22 22 VAL H H 7.56 0.02 1 138 22 22 VAL HA H 3.35 0.02 1 139 22 22 VAL HB H 2.18 0.02 1 140 22 22 VAL C C 178.5 0.3 1 141 22 22 VAL CA C 67.2 0.3 1 142 22 22 VAL CB C 32.3 0.3 1 143 22 22 VAL N N 117.8 0.2 1 144 23 23 ASN H H 8.86 0.02 1 145 23 23 ASN HA H 4.45 0.02 1 146 23 23 ASN HB2 H 2.62 0.02 2 147 23 23 ASN HB3 H 2.83 0.02 2 148 23 23 ASN HD21 H 7.69 0.02 2 149 23 23 ASN HD22 H 7.01 0.02 2 150 23 23 ASN C C 177 0.3 1 151 23 23 ASN CA C 55.9 0.3 1 152 23 23 ASN CB C 38.4 0.3 1 153 23 23 ASN N N 115.3 0.2 1 154 23 23 ASN ND2 N 112.9 0.2 1 155 24 24 ARG H H 7.41 0.02 1 156 24 24 ARG HA H 3.68 0.02 1 157 24 24 ARG C C 177.4 0.3 1 158 24 24 ARG CA C 60.1 0.3 1 159 24 24 ARG CB C 29.9 0.3 1 160 24 24 ARG N N 124.5 0.2 1 161 25 25 HIS H H 6.91 0.02 1 162 25 25 HIS HA H 4.48 0.02 1 163 25 25 HIS HB2 H 2.5 0.02 2 164 25 25 HIS C C 177.9 0.3 1 165 25 25 HIS CA C 60.3 0.3 1 166 25 25 HIS CB C 30.4 0.3 1 167 25 25 HIS N N 115.1 0.2 1 168 26 26 LYS H H 9.25 0.02 1 169 26 26 LYS HA H 3.72 0.02 1 170 26 26 LYS C C 178.1 0.3 1 171 26 26 LYS CA C 59.5 0.3 1 172 26 26 LYS CB C 32 0.3 1 173 26 26 LYS N N 125.6 0.2 1 174 27 27 PHE H H 8.34 0.02 1 175 27 27 PHE HA H 4.01 0.02 1 176 27 27 PHE C C 179.4 0.3 1 177 27 27 PHE CA C 62.1 0.3 1 178 27 27 PHE CB C 38.3 0.3 1 179 27 27 PHE N N 120.8 0.2 1 180 28 28 MET H H 7.57 0.02 1 181 28 28 MET HA H 4.64 0.02 1 182 28 28 MET C C 178.6 0.3 1 183 28 28 MET CA C 54.9 0.3 1 184 28 28 MET CB C 27.9 0.3 1 185 28 28 MET N N 117.9 0.2 1 186 29 29 PHE H H 9.42 0.02 1 187 29 29 PHE HA H 3.75 0.02 1 188 29 29 PHE HB2 H 3.28 0.02 2 189 29 29 PHE C C 177 0.3 1 190 29 29 PHE CA C 62.7 0.3 1 191 29 29 PHE CB C 39.7 0.3 1 192 29 29 PHE N N 124 0.2 1 193 30 30 ASN H H 8.36 0.02 1 194 30 30 ASN HA H 4.32 0.02 1 195 30 30 ASN HB2 H 2.71 0.02 2 196 30 30 ASN HD21 H 7.54 0.02 2 197 30 30 ASN HD22 H 6.73 0.02 2 198 30 30 ASN C C 177.1 0.3 1 199 30 30 ASN CA C 56.1 0.3 1 200 30 30 ASN CB C 37.8 0.3 1 201 30 30 ASN N N 116.4 0.2 1 202 30 30 ASN ND2 N 111.7 0.2 1 203 31 31 PHE H H 7.81 0.02 1 204 31 31 PHE HA H 4.09 0.02 1 205 31 31 PHE C C 176.8 0.3 1 206 31 31 PHE CA C 59.6 0.3 1 207 31 31 PHE CB C 38.8 0.3 1 208 31 31 PHE N N 121.5 0.2 1 209 32 32 LEU H H 7.8 0.02 1 210 32 32 LEU C C 177.5 0.3 1 211 32 32 LEU CA C 55.5 0.3 1 212 32 32 LEU CB C 42.4 0.3 1 213 32 32 LEU N N 119.2 0.2 1 214 33 33 ASP H H 7.73 0.02 1 215 33 33 ASP HA H 4.57 0.02 1 216 33 33 ASP C C 177.3 0.3 1 217 33 33 ASP CA C 52.4 0.3 1 218 33 33 ASP CB C 39 0.3 1 219 33 33 ASP N N 122.1 0.2 1 220 34 34 ILE H H 7.79 0.02 1 221 34 34 ILE HA H 3.82 0.02 1 222 34 34 ILE HB H 1.81 0.02 1 223 34 34 ILE C C 177.6 0.3 1 224 34 34 ILE CA C 63.4 0.3 1 225 34 34 ILE CB C 38.1 0.3 1 226 34 34 ILE N N 122.5 0.2 1 227 35 35 ASN H H 8.51 0.02 1 228 35 35 ASN HA H 4.68 0.02 1 229 35 35 ASN HB2 H 2.75 0.02 2 230 35 35 ASN HB3 H 2.95 0.02 2 231 35 35 ASN HD21 H 7.6 0.02 2 232 35 35 ASN HD22 H 6.88 0.02 2 233 35 35 ASN C C 176.2 0.3 1 234 35 35 ASN CA C 53.2 0.3 1 235 35 35 ASN CB C 38.2 0.3 1 236 35 35 ASN N N 116.4 0.2 1 237 35 35 ASN ND2 N 113.6 0.2 1 238 36 36 GLY H H 7.8 0.02 1 239 36 36 GLY HA2 H 3.8 0.02 2 240 36 36 GLY C C 175.4 0.3 1 241 36 36 GLY CA C 47.4 0.3 1 242 36 36 GLY N N 110.1 0.2 1 243 37 37 ASN H H 9.11 0.02 1 244 37 37 ASN HA H 4.8 0.02 1 245 37 37 ASN HB2 H 2.7 0.02 2 246 37 37 ASN HB3 H 3.03 0.02 2 247 37 37 ASN HD21 H 7.84 0.02 2 248 37 37 ASN HD22 H 7.02 0.02 2 249 37 37 ASN C C 177.1 0.3 1 250 37 37 ASN CA C 53 0.3 1 251 37 37 ASN CB C 39.3 0.3 1 252 37 37 ASN N N 119.3 0.2 1 253 37 37 ASN ND2 N 112.1 0.2 1 254 38 38 GLY H H 11.04 0.02 1 255 38 38 GLY HA2 H 3.81 0.02 2 256 38 38 GLY HA3 H 4.23 0.02 2 257 38 38 GLY C C 173.3 0.3 1 258 38 38 GLY CA C 45.9 0.3 1 259 38 38 GLY N N 114.1 0.2 1 260 39 39 LYS H H 7.63 0.02 1 261 39 39 LYS HA H 5.28 0.02 1 262 39 39 LYS HB2 H 1.56 0.02 2 263 39 39 LYS C C 174.7 0.3 1 264 39 39 LYS CA C 54.4 0.3 1 265 39 39 LYS CB C 36.1 0.3 1 266 39 39 LYS N N 116.9 0.2 1 267 40 40 ILE H H 8.69 0.02 1 268 40 40 ILE HA H 5.18 0.02 1 269 40 40 ILE HB H 1.66 0.02 1 270 40 40 ILE C C 175.4 0.3 1 271 40 40 ILE CA C 59.2 0.3 1 272 40 40 ILE CB C 42.1 0.3 1 273 40 40 ILE N N 114.8 0.2 1 274 41 41 THR H H 7.97 0.02 1 275 41 41 THR HA H 5.45 0.02 1 276 41 41 THR HB H 4.63 0.02 1 277 41 41 THR C C 175.7 0.3 1 278 41 41 THR CA C 58.9 0.3 1 279 41 41 THR CB C 73.5 0.3 1 280 41 41 THR N N 110.7 0.2 1 281 42 42 LEU H H 7.94 0.02 1 282 42 42 LEU HA H 3.89 0.02 1 283 42 42 LEU C C 176.7 0.3 1 284 42 42 LEU CA C 56.2 0.3 1 285 42 42 LEU CB C 41 0.3 1 286 42 42 LEU N N 120.3 0.2 1 287 43 43 ASP H H 9.6 0.02 1 288 43 43 ASP HA H 4.23 0.02 1 289 43 43 ASP HB2 H 2.71 0.02 2 290 43 43 ASP C C 179.2 0.3 1 291 43 43 ASP CA C 56.5 0.3 1 292 43 43 ASP CB C 39.8 0.3 1 293 43 43 ASP N N 114 0.2 1 294 44 44 GLU H H 7.76 0.02 1 295 44 44 GLU HA H 4.07 0.02 1 296 44 44 GLU C C 179.7 0.3 1 297 44 44 GLU CA C 58.8 0.3 1 298 44 44 GLU CB C 29.7 0.3 1 299 44 44 GLU N N 117.6 0.2 1 300 45 45 ILE H H 7.39 0.02 1 301 45 45 ILE HA H 3.72 0.02 1 302 45 45 ILE HB H 1.89 0.02 1 303 45 45 ILE C C 177.6 0.3 1 304 45 45 ILE CA C 63.9 0.3 1 305 45 45 ILE CB C 37.4 0.3 1 306 45 45 ILE N N 124.3 0.2 1 307 46 46 VAL H H 8.87 0.02 1 308 46 46 VAL HA H 3.7 0.02 1 309 46 46 VAL HB H 2.21 0.02 1 310 46 46 VAL C C 177.6 0.3 1 311 46 46 VAL CA C 67.2 0.3 1 312 46 46 VAL CB C 31.1 0.3 1 313 46 46 VAL N N 120 0.2 1 314 47 47 SER H H 8.04 0.02 1 315 47 47 SER HA H 4.4 0.02 1 316 47 47 SER HB2 H 4.04 0.02 2 317 47 47 SER C C 177.5 0.3 1 318 47 47 SER CA C 61.4 0.3 1 319 47 47 SER CB C 62.9 0.3 1 320 47 47 SER N N 115.5 0.2 1 321 48 48 LYS H H 7.84 0.02 1 322 48 48 LYS HA H 4.22 0.02 1 323 48 48 LYS C C 178.1 0.3 1 324 48 48 LYS CA C 59.3 0.3 1 325 48 48 LYS CB C 32.3 0.3 1 326 48 48 LYS N N 121.5 0.2 1 327 49 49 ALA H H 8.39 0.02 1 328 49 49 ALA HA H 4.58 0.02 1 329 49 49 ALA HB H 2.01 0.02 1 330 49 49 ALA C C 178.1 0.3 1 331 49 49 ALA CA C 56.1 0.3 1 332 49 49 ALA CB C 19.9 0.3 1 333 49 49 ALA N N 118.7 0.2 1 334 50 50 SER H H 9.34 0.02 1 335 50 50 SER HA H 4.58 0.02 1 336 50 50 SER C C 174.6 0.3 1 337 50 50 SER CA C 61.3 0.3 1 338 50 50 SER CB C 63.9 0.3 1 339 50 50 SER N N 112.5 0.2 1 340 51 51 ASP H H 8.6 0.02 1 341 51 51 ASP HA H 4.58 0.02 1 342 51 51 ASP HB2 H 2.71 0.02 2 343 51 51 ASP HB3 H 2.89 0.02 2 344 51 51 ASP C C 175.6 0.3 1 345 51 51 ASP CA C 56.2 0.3 1 346 51 51 ASP CB C 40.6 0.3 1 347 51 51 ASP N N 121.7 0.2 1 348 52 52 ASP H H 7.21 0.02 1 349 52 52 ASP HA H 4.83 0.02 1 350 52 52 ASP HB2 H 3.49 0.02 2 351 52 52 ASP HB3 H 2.8 0.02 2 352 52 52 ASP C C 175.7 0.3 1 353 52 52 ASP CA C 55.5 0.3 1 354 52 52 ASP CB C 41.9 0.3 1 355 52 52 ASP N N 117.9 0.2 1 356 53 53 ILE H H 8.39 0.02 1 357 53 53 ILE HA H 3.64 0.02 1 358 53 53 ILE C C 178.1 0.3 1 359 53 53 ILE CA C 65.8 0.3 1 360 53 53 ILE CB C 37.6 0.3 1 361 53 53 ILE N N 115.8 0.2 1 362 54 54 CYS H H 8.26 0.02 1 363 54 54 CYS HA H 3.87 0.02 1 364 54 54 CYS HB2 H 2.94 0.02 2 365 54 54 CYS HB3 H 3.34 0.02 2 366 54 54 CYS C C 176.9 0.3 1 367 54 54 CYS CA C 67.2 0.3 1 368 54 54 CYS CB C 26.7 0.3 1 369 54 54 CYS N N 114.3 0.2 1 370 55 55 ALA H H 6.72 0.02 1 371 55 55 ALA HA H 4.25 0.02 1 372 55 55 ALA HB H 1.48 0.02 1 373 55 55 ALA C C 181.1 0.3 1 374 55 55 ALA CA C 55 0.3 1 375 55 55 ALA CB C 18.4 0.3 1 376 55 55 ALA N N 119.1 0.2 1 377 56 56 LYS H H 7.87 0.02 1 378 56 56 LYS HA H 4.1 0.02 1 379 56 56 LYS C C 179.2 0.3 1 380 56 56 LYS CA C 59.2 0.3 1 381 56 56 LYS CB C 33.2 0.3 1 382 56 56 LYS N N 118 0.2 1 383 57 57 LEU H H 7.95 0.02 1 384 57 57 LEU HA H 4.25 0.02 1 385 57 57 LEU HB2 H 1.4 0.02 2 386 57 57 LEU HB3 H 1.7 0.02 2 387 57 57 LEU C C 177.2 0.3 1 388 57 57 LEU CA C 55.1 0.3 1 389 57 57 LEU CB C 42.6 0.3 1 390 57 57 LEU N N 116.6 0.2 1 391 58 58 GLY H H 7.65 0.02 1 392 58 58 GLY HA2 H 3.82 0.02 2 393 58 58 GLY HA3 H 3.93 0.02 2 394 58 58 GLY C C 174.9 0.3 1 395 58 58 GLY CA C 46 0.3 1 396 58 58 GLY N N 107.4 0.2 1 397 59 59 ALA H H 7.5 0.02 1 398 59 59 ALA HA H 4.32 0.02 1 399 59 59 ALA HB H 1.31 0.02 1 400 59 59 ALA C C 178 0.3 1 401 59 59 ALA CA C 51.8 0.3 1 402 59 59 ALA CB C 19.5 0.3 1 403 59 59 ALA N N 120.5 0.2 1 404 60 60 THR H H 8.69 0.02 1 405 60 60 THR HA H 4.62 0.02 1 406 60 60 THR C C 175.1 0.3 1 407 60 60 THR CA C 60.8 0.3 1 408 60 60 THR CB C 68.2 0.3 1 409 60 60 THR N N 113.2 0.2 1 410 61 61 PRO HA H 4.34 0.02 1 411 61 61 PRO HB2 H 2.03 0.02 2 412 61 61 PRO HB3 H 2.45 0.02 2 413 61 61 PRO C C 179.5 0.3 1 414 61 61 PRO CA C 66.8 0.3 1 415 61 61 PRO CB C 31.3 0.3 1 416 62 62 ALA H H 8.47 0.02 1 417 62 62 ALA HA H 4.22 0.02 1 418 62 62 ALA HB H 1.43 0.02 1 419 62 62 ALA C C 181.3 0.3 1 420 62 62 ALA CA C 55.5 0.3 1 421 62 62 ALA CB C 18.2 0.3 1 422 62 62 ALA N N 119.9 0.2 1 423 63 63 GLN H H 7.91 0.02 1 424 63 63 GLN HA H 4.05 0.02 1 425 63 63 GLN C C 180.6 0.3 1 426 63 63 GLN CA C 58.4 0.3 1 427 63 63 GLN CB C 29.2 0.3 1 428 63 63 GLN N N 118.3 0.2 1 429 64 64 THR H H 9.04 0.02 1 430 64 64 THR HA H 4.4 0.02 1 431 64 64 THR CA C 66.5 0.3 1 432 64 64 THR CB C 68.5 0.3 1 433 64 64 THR N N 120 0.2 1 434 65 65 GLN H H 8.43 0.02 1 435 65 65 GLN HA H 4.1 0.02 1 436 65 65 GLN HB2 H 2.24 0.02 2 437 65 65 GLN HB3 H 2.11 0.02 2 438 65 65 GLN HE21 H 7.89 0.02 1 439 65 65 GLN HE22 H 6.76 0.02 1 440 65 65 GLN C C 177.6 0.3 1 441 65 65 GLN CA C 59 0.3 1 442 65 65 GLN CB C 27.6 0.3 1 443 65 65 GLN CG C 32.8 0.3 1 444 65 65 GLN N N 124 0.2 1 445 65 65 GLN NE2 N 112.4 0.2 1 446 66 66 ARG H H 8.15 0.02 1 447 66 66 ARG HA H 4.12 0.02 1 448 66 66 ARG C C 179.7 0.3 1 449 66 66 ARG CA C 59.4 0.3 1 450 66 66 ARG CB C 30.1 0.3 1 451 66 66 ARG N N 120.2 0.2 1 452 67 67 HIS H H 8.27 0.02 1 453 67 67 HIS HA H 4.07 0.02 1 454 67 67 HIS C C 175 0.3 1 455 67 67 HIS CA C 61.2 0.3 1 456 67 67 HIS CB C 28.9 0.3 1 457 67 67 HIS N N 119.2 0.2 1 458 68 68 GLN H H 8.92 0.02 1 459 68 68 GLN HA H 3.59 0.02 1 460 68 68 GLN C C 177.8 0.3 1 461 68 68 GLN CA C 61 0.3 1 462 68 68 GLN CB C 29 0.3 1 463 68 68 GLN N N 122.2 0.2 1 464 69 69 GLU H H 8.48 0.02 1 465 69 69 GLU HA H 4.04 0.02 1 466 69 69 GLU HB3 H 2.13 0.02 2 467 69 69 GLU C C 179.5 0.3 1 468 69 69 GLU CA C 59.2 0.3 1 469 69 69 GLU CB C 29.1 0.3 1 470 69 69 GLU N N 118 0.2 1 471 70 70 ALA H H 7.75 0.02 1 472 70 70 ALA HA H 4.04 0.02 1 473 70 70 ALA HB H 1.33 0.02 1 474 70 70 ALA C C 180.5 0.3 1 475 70 70 ALA CA C 54.9 0.3 1 476 70 70 ALA CB C 17.7 0.3 1 477 70 70 ALA N N 122.1 0.2 1 478 71 71 VAL H H 8.05 0.02 1 479 71 71 VAL HA H 4.07 0.02 1 480 71 71 VAL HB H 1.71 0.02 1 481 71 71 VAL C C 177.5 0.3 1 482 71 71 VAL CA C 66.4 0.3 1 483 71 71 VAL CB C 31.6 0.3 1 484 71 71 VAL N N 121.3 0.2 1 485 72 72 GLU H H 9.03 0.02 1 486 72 72 GLU HA H 3.62 0.02 1 487 72 72 GLU HB2 H 1.96 0.02 2 488 72 72 GLU HB3 H 2.27 0.02 2 489 72 72 GLU C C 177.6 0.3 1 490 72 72 GLU CA C 60.6 0.3 1 491 72 72 GLU CB C 30.7 0.3 1 492 72 72 GLU N N 119.9 0.2 1 493 73 73 ALA H H 7.98 0.02 1 494 73 73 ALA HA H 3.92 0.02 1 495 73 73 ALA HB H 1.44 0.02 1 496 73 73 ALA C C 179.8 0.3 1 497 73 73 ALA CA C 55.2 0.3 1 498 73 73 ALA CB C 18.3 0.3 1 499 73 73 ALA N N 118.4 0.2 1 500 74 74 PHE H H 7.43 0.02 1 501 74 74 PHE HA H 3.57 0.02 1 502 74 74 PHE HB2 H 2.49 0.02 2 503 74 74 PHE C C 175.2 0.3 1 504 74 74 PHE CA C 62.3 0.3 1 505 74 74 PHE CB C 40.2 0.3 1 506 74 74 PHE N N 118.4 0.2 1 507 75 75 PHE H H 8.14 0.02 1 508 75 75 PHE HA H 3.92 0.02 1 509 75 75 PHE HB2 H 2.62 0.02 2 510 75 75 PHE HB3 H 2.85 0.02 2 511 75 75 PHE C C 179.3 0.3 1 512 75 75 PHE CA C 61.8 0.3 1 513 75 75 PHE CB C 38.4 0.3 1 514 75 75 PHE N N 111.2 0.2 1 515 76 76 LYS H H 9.06 0.02 1 516 76 76 LYS HA H 4.67 0.02 1 517 76 76 LYS HB2 H 1.83 0.02 2 518 76 76 LYS C C 181.5 0.3 1 519 76 76 LYS CA C 59.5 0.3 1 520 76 76 LYS CB C 32 0.3 1 521 76 76 LYS N N 122 0.2 1 522 77 77 LYS H H 7.13 0.02 1 523 77 77 LYS HA H 3.92 0.02 1 524 77 77 LYS C C 176.6 0.3 1 525 77 77 LYS CA C 56.6 0.3 1 526 77 77 LYS CB C 29.5 0.3 1 527 77 77 LYS N N 121.6 0.2 1 528 78 78 ILE H H 6.3 0.02 1 529 78 78 ILE HA H 3.16 0.02 1 530 78 78 ILE HB H 1.57 0.02 1 531 78 78 ILE C C 174.8 0.3 1 532 78 78 ILE CA C 62.5 0.3 1 533 78 78 ILE CB C 39 0.3 1 534 78 78 ILE N N 116.9 0.2 1 535 79 79 GLY H H 7.29 0.02 1 536 79 79 GLY HA2 H 3.57 0.02 2 537 79 79 GLY HA3 H 4.33 0.02 2 538 79 79 GLY C C 174.4 0.3 1 539 79 79 GLY CA C 44 0.3 1 540 79 79 GLY N N 104.4 0.2 1 541 80 80 LEU H H 7.79 0.02 1 542 80 80 LEU HA H 4.42 0.02 1 543 80 80 LEU C C 174.9 0.3 1 544 80 80 LEU CA C 56.3 0.3 1 545 80 80 LEU CB C 42.9 0.3 1 546 80 80 LEU N N 121.1 0.2 1 547 81 81 ASP H H 8.07 0.02 1 548 81 81 ASP HA H 4.63 0.02 1 549 81 81 ASP HB2 H 2.49 0.02 2 550 81 81 ASP C C 176.4 0.3 1 551 81 81 ASP CA C 52.7 0.3 1 552 81 81 ASP CB C 44 0.3 1 553 81 81 ASP N N 115 0.2 1 554 82 82 TYR H H 9.24 0.02 1 555 82 82 TYR HA H 4.47 0.02 1 556 82 82 TYR HB2 H 2.62 0.02 2 557 82 82 TYR HB3 H 3.15 0.02 2 558 82 82 TYR C C 178.2 0.3 1 559 82 82 TYR CA C 60.4 0.3 1 560 82 82 TYR CB C 37.6 0.3 1 561 82 82 TYR N N 125.2 0.2 1 562 83 83 GLY H H 11.12 0.02 1 563 83 83 GLY HA2 H 3.88 0.02 2 564 83 83 GLY HA3 H 4.12 0.02 2 565 83 83 GLY C C 173.1 0.3 1 566 83 83 GLY CA C 45.9 0.3 1 567 83 83 GLY N N 115.1 0.2 1 568 84 84 LYS H H 7.54 0.02 1 569 84 84 LYS HA H 4.68 0.02 1 570 84 84 LYS HB2 H 1.71 0.02 2 571 84 84 LYS C C 175.4 0.3 1 572 84 84 LYS CA C 54.2 0.3 1 573 84 84 LYS CB C 35.5 0.3 1 574 84 84 LYS N N 120.3 0.2 1 575 85 85 GLU H H 9 0.02 1 576 85 85 GLU HA H 4.45 0.02 1 577 85 85 GLU HB2 H 1.66 0.02 2 578 85 85 GLU C C 176.2 0.3 1 579 85 85 GLU CA C 55.5 0.3 1 580 85 85 GLU CB C 31.1 0.3 1 581 85 85 GLU N N 125.7 0.2 1 582 86 86 VAL H H 8.96 0.02 1 583 86 86 VAL HA H 4.55 0.02 1 584 86 86 VAL HB H 2.09 0.02 1 585 86 86 VAL C C 174.9 0.3 1 586 86 86 VAL CA C 62.3 0.3 1 587 86 86 VAL CB C 34.6 0.3 1 588 86 86 VAL N N 124.8 0.2 1 589 87 87 GLU H H 8.74 0.02 1 590 87 87 GLU HA H 5.23 0.02 1 591 87 87 GLU C C 176.3 0.3 1 592 87 87 GLU CA C 55.3 0.3 1 593 87 87 GLU CB C 32.7 0.3 1 594 87 87 GLU N N 125 0.2 1 595 88 88 PHE H H 8.97 0.02 1 596 88 88 PHE C C 172.6 0.3 1 597 88 88 PHE CA C 63.5 0.3 1 598 88 88 PHE CB C 36.4 0.3 1 599 88 88 PHE N N 119.8 0.2 1 600 89 89 PRO HA H 3.96 0.02 1 601 89 89 PRO C C 179.4 0.3 1 602 89 89 PRO CA C 66.7 0.3 1 603 89 89 PRO CB C 30.3 0.3 1 604 90 90 ALA H H 7.49 0.02 1 605 90 90 ALA HA H 4.25 0.02 1 606 90 90 ALA HB H 1.58 0.02 1 607 90 90 ALA C C 180.8 0.3 1 608 90 90 ALA CA C 54.5 0.3 1 609 90 90 ALA CB C 18.9 0.3 1 610 90 90 ALA N N 118.6 0.2 1 611 91 91 PHE H H 8.25 0.02 1 612 91 91 PHE HA H 4.2 0.02 1 613 91 91 PHE HB2 H 3.57 0.02 2 614 91 91 PHE HB3 H 3.09 0.02 2 615 91 91 PHE C C 176.5 0.3 1 616 91 91 PHE CA C 61.2 0.3 1 617 91 91 PHE CB C 40.4 0.3 1 618 91 91 PHE N N 123.8 0.2 1 619 92 92 VAL H H 8.57 0.02 1 620 92 92 VAL HA H 3.67 0.02 1 621 92 92 VAL HB H 1.53 0.02 1 622 92 92 VAL C C 177.3 0.3 1 623 92 92 VAL CA C 66.1 0.3 1 624 92 92 VAL CB C 31.3 0.3 1 625 92 92 VAL N N 119.3 0.2 1 626 93 93 ASN H H 7.52 0.02 1 627 93 93 ASN HA H 4.38 0.02 1 628 93 93 ASN HB2 H 2.81 0.02 2 629 93 93 ASN HD21 H 7.69 0.02 2 630 93 93 ASN HD22 H 6.9 0.02 2 631 93 93 ASN C C 178.8 0.3 1 632 93 93 ASN CA C 56.7 0.3 1 633 93 93 ASN CB C 38.1 0.3 1 634 93 93 ASN N N 119.3 0.2 1 635 93 93 ASN ND2 N 112.7 0.2 1 636 94 94 GLY H H 8.31 0.02 1 637 94 94 GLY HA2 H 3.74 0.02 2 638 94 94 GLY HA3 H 4.74 0.02 2 639 94 94 GLY C C 176.9 0.3 1 640 94 94 GLY CA C 47.4 0.3 1 641 94 94 GLY N N 110.3 0.2 1 642 95 95 TRP H H 7.97 0.02 1 643 95 95 TRP HA H 3.7 0.02 1 644 95 95 TRP C C 178.6 0.3 1 645 95 95 TRP CA C 62.8 0.3 1 646 95 95 TRP CB C 28.8 0.3 1 647 95 95 TRP N N 123.1 0.2 1 648 96 96 LYS H H 7.5 0.02 1 649 96 96 LYS HA H 3.35 0.02 1 650 96 96 LYS HB2 H 1.87 0.02 2 651 96 96 LYS C C 178.7 0.3 1 652 96 96 LYS CA C 59.2 0.3 1 653 96 96 LYS CB C 32.3 0.3 1 654 96 96 LYS N N 117.7 0.2 1 655 97 97 GLU H H 6.94 0.02 1 656 97 97 GLU HA H 3.92 0.02 1 657 97 97 GLU C C 180 0.3 1 658 97 97 GLU CA C 58.5 0.3 1 659 97 97 GLU CB C 28.8 0.3 1 660 97 97 GLU N N 116.6 0.2 1 661 98 98 LEU H H 8.32 0.02 1 662 98 98 LEU HA H 3.64 0.02 1 663 98 98 LEU C C 176.6 0.3 1 664 98 98 LEU CA C 58.3 0.3 1 665 98 98 LEU CB C 41.6 0.3 1 666 98 98 LEU N N 122.9 0.2 1 667 99 99 ALA H H 8.58 0.02 1 668 99 99 ALA HA H 2.6 0.02 1 669 99 99 ALA HB H 1.73 0.02 1 670 99 99 ALA C C 178.9 0.3 1 671 99 99 ALA CA C 55 0.3 1 672 99 99 ALA CB C 18.5 0.3 1 673 99 99 ALA N N 120.6 0.2 1 674 100 100 LYS H H 7.68 0.02 1 675 100 100 LYS HA H 3.92 0.02 1 676 100 100 LYS HB2 H 1.91 0.02 2 677 100 100 LYS C C 179.3 0.3 1 678 100 100 LYS CA C 60.3 0.3 1 679 100 100 LYS CB C 32.5 0.3 1 680 100 100 LYS N N 114 0.2 1 681 101 101 HIS H H 7.78 0.02 1 682 101 101 HIS HA H 4.22 0.02 1 683 101 101 HIS C C 177.4 0.3 1 684 101 101 HIS CA C 59.6 0.3 1 685 101 101 HIS CB C 32 0.3 1 686 101 101 HIS N N 119.4 0.2 1 687 102 102 ASP H H 9.14 0.02 1 688 102 102 ASP HA H 4.85 0.02 1 689 102 102 ASP C C 180.2 0.3 1 690 102 102 ASP CA C 57.1 0.3 1 691 102 102 ASP CB C 42.4 0.3 1 692 102 102 ASP N N 120.7 0.2 1 693 103 103 LEU H H 8.76 0.02 1 694 103 103 LEU HA H 4.25 0.02 1 695 103 103 LEU C C 180.1 0.3 1 696 103 103 LEU CA C 58.5 0.3 1 697 103 103 LEU CB C 41.4 0.3 1 698 103 103 LEU N N 119.5 0.2 1 699 104 104 LYS H H 7.43 0.02 1 700 104 104 LYS HA H 4.09 0.02 1 701 104 104 LYS HB2 H 1.88 0.02 2 702 104 104 LYS HB3 H 2.01 0.02 2 703 104 104 LYS C C 179.7 0.3 1 704 104 104 LYS CA C 59.3 0.3 1 705 104 104 LYS CB C 31.3 0.3 1 706 104 104 LYS N N 120.3 0.2 1 707 105 105 LEU H H 7.69 0.02 1 708 105 105 LEU HA H 3.9 0.02 1 709 105 105 LEU C C 179.5 0.3 1 710 105 105 LEU CA C 59 0.3 1 711 105 105 LEU CB C 40.9 0.3 1 712 105 105 LEU N N 120.2 0.2 1 713 106 106 TRP H H 9.2 0.02 1 714 106 106 TRP HA H 4.35 0.02 1 715 106 106 TRP C C 181.2 0.3 1 716 106 106 TRP CA C 62.1 0.3 1 717 106 106 TRP CB C 28.7 0.3 1 718 106 106 TRP N N 120.6 0.2 1 719 107 107 SER H H 8.51 0.02 1 720 107 107 SER HA H 4.09 0.02 1 721 107 107 SER HB2 H 4.23 0.02 2 722 107 107 SER C C 174.5 0.3 1 723 107 107 SER CA C 61.6 0.3 1 724 107 107 SER CB C 63.2 0.3 1 725 107 107 SER N N 115.6 0.2 1 726 108 108 GLN H H 7.48 0.02 1 727 108 108 GLN HA H 4.38 0.02 1 728 108 108 GLN HE21 H 7.29 0.02 1 729 108 108 GLN C C 175 0.3 1 730 108 108 GLN CA C 55.2 0.3 1 731 108 108 GLN CB C 29.5 0.3 1 732 108 108 GLN CG C 34.1 0.3 1 733 108 108 GLN N N 119.9 0.2 1 734 108 108 GLN NE2 N 110.3 0.2 1 735 109 109 ASN H H 8.06 0.02 1 736 109 109 ASN HA H 4.22 0.02 1 737 109 109 ASN HB2 H 2.72 0.02 2 738 109 109 ASN HB3 H 3.03 0.02 2 739 109 109 ASN HD21 H 7.45 0.02 2 740 109 109 ASN HD22 H 6.77 0.02 2 741 109 109 ASN C C 174.4 0.3 1 742 109 109 ASN CA C 54 0.3 1 743 109 109 ASN CB C 36.7 0.3 1 744 109 109 ASN N N 115.6 0.2 1 745 109 109 ASN ND2 N 112.7 0.2 1 746 110 110 LYS H H 7.95 0.02 1 747 110 110 LYS HA H 4.53 0.02 1 748 110 110 LYS C C 176.3 0.3 1 749 110 110 LYS CA C 54.2 0.3 1 750 110 110 LYS CB C 35.5 0.3 1 751 110 110 LYS N N 117.5 0.2 1 752 111 111 LYS H H 8.46 0.02 1 753 111 111 LYS HA H 4.01 0.02 1 754 111 111 LYS HB2 H 1.88 0.02 2 755 111 111 LYS C C 175.2 0.3 1 756 111 111 LYS CA C 58.5 0.3 1 757 111 111 LYS CB C 31.5 0.3 1 758 111 111 LYS N N 120.6 0.2 1 759 112 112 SER H H 7.56 0.02 1 760 112 112 SER CA C 56.8 0.3 1 761 112 112 SER CB C 65.8 0.3 1 762 112 112 SER N N 120.1 0.2 1 763 113 113 LEU HA H 4.33 0.02 1 764 113 113 LEU C C 172.1 0.3 1 765 113 113 LEU CA C 59.1 0.3 1 766 113 113 LEU CB C 40.5 0.3 1 767 114 114 ILE H H 10.28 0.02 1 768 114 114 ILE HA H 4.84 0.02 1 769 114 114 ILE C C 179.6 0.3 1 770 114 114 ILE CA C 61.8 0.3 1 771 114 114 ILE CB C 37.6 0.3 1 772 114 114 ILE N N 121.3 0.2 1 773 115 115 ARG H H 7.92 0.02 1 774 115 115 ARG HA H 4.18 0.02 1 775 115 115 ARG C C 176.5 0.3 1 776 115 115 ARG CA C 59.2 0.3 1 777 115 115 ARG CB C 29.7 0.3 1 778 115 115 ARG N N 130.1 0.2 1 779 116 116 ASN H H 8.73 0.02 1 780 116 116 ASN HA H 4.44 0.02 1 781 116 116 ASN HB2 H 2.92 0.02 2 782 116 116 ASN HD21 H 7.92 0.02 2 783 116 116 ASN HD22 H 6.88 0.02 2 784 116 116 ASN C C 178.1 0.3 1 785 116 116 ASN CA C 56.4 0.3 1 786 116 116 ASN CB C 38.1 0.3 1 787 116 116 ASN N N 119.1 0.2 1 788 116 116 ASN ND2 N 110.9 0.2 1 789 117 117 TRP H H 8.17 0.02 1 790 117 117 TRP HA H 4.52 0.02 1 791 117 117 TRP HB2 H 2.77 0.02 2 792 117 117 TRP HB3 H 3.19 0.02 2 793 117 117 TRP C C 176.7 0.3 1 794 117 117 TRP CA C 58.1 0.3 1 795 117 117 TRP CB C 29.4 0.3 1 796 117 117 TRP N N 119.7 0.2 1 797 118 118 GLY H H 7.57 0.02 1 798 118 118 GLY HA2 H 3.42 0.02 2 799 118 118 GLY C C 175 0.3 1 800 118 118 GLY CA C 47.3 0.3 1 801 118 118 GLY N N 106 0.2 1 802 119 119 GLU H H 8.71 0.02 1 803 119 119 GLU HA H 3.8 0.02 1 804 119 119 GLU C C 178.7 0.3 1 805 119 119 GLU CA C 59.5 0.3 1 806 119 119 GLU CB C 29.7 0.3 1 807 119 119 GLU N N 119.1 0.2 1 808 120 120 ALA H H 7.52 0.02 1 809 120 120 ALA HA H 4.18 0.02 1 810 120 120 ALA HB H 1.69 0.02 1 811 120 120 ALA C C 179.8 0.3 1 812 120 120 ALA CA C 54.9 0.3 1 813 120 120 ALA CB C 18.8 0.3 1 814 120 120 ALA N N 119.1 0.2 1 815 121 121 VAL H H 8.03 0.02 1 816 121 121 VAL HA H 3.75 0.02 1 817 121 121 VAL C C 177.6 0.3 1 818 121 121 VAL CA C 66.4 0.3 1 819 121 121 VAL CB C 32.2 0.3 1 820 121 121 VAL N N 117.7 0.2 1 821 122 122 PHE H H 9.15 0.02 1 822 122 122 PHE HA H 4.25 0.02 1 823 122 122 PHE C C 179 0.3 1 824 122 122 PHE CA C 61.1 0.3 1 825 122 122 PHE CB C 37 0.3 1 826 122 122 PHE N N 118.5 0.2 1 827 123 123 ASP H H 8.19 0.02 1 828 123 123 ASP HA H 4.63 0.02 1 829 123 123 ASP HB2 H 2.54 0.02 2 830 123 123 ASP HB3 H 2.97 0.02 2 831 123 123 ASP CA C 57.4 0.3 1 832 123 123 ASP CB C 42.1 0.3 1 833 123 123 ASP N N 116.7 0.2 1 834 124 124 ILE H H 7.24 0.02 1 835 124 124 ILE HA H 3.37 0.02 1 836 124 124 ILE HB H 1.65 0.02 1 837 124 124 ILE C C 176.9 0.3 1 838 124 124 ILE CA C 64.7 0.3 1 839 124 124 ILE CB C 37.9 0.3 1 840 124 124 ILE N N 115.9 0.2 1 841 125 125 PHE H H 7.01 0.02 1 842 125 125 PHE HA H 4.43 0.02 1 843 125 125 PHE C C 176.2 0.3 1 844 125 125 PHE CA C 59.1 0.3 1 845 125 125 PHE CB C 41.4 0.3 1 846 125 125 PHE N N 115.7 0.2 1 847 126 126 ASP H H 7.98 0.02 1 848 126 126 ASP HA H 4.93 0.02 1 849 126 126 ASP HB2 H 2.92 0.02 2 850 126 126 ASP HB3 H 3.03 0.02 2 851 126 126 ASP C C 177.2 0.3 1 852 126 126 ASP CA C 54.6 0.3 1 853 126 126 ASP CB C 41.2 0.3 1 854 126 126 ASP N N 118.2 0.2 1 855 127 127 LYS H H 8.94 0.02 1 856 127 127 LYS HA H 4.48 0.02 1 857 127 127 LYS HB2 H 2.02 0.02 2 858 127 127 LYS HB3 H 1.87 0.02 2 859 127 127 LYS C C 177.8 0.3 1 860 127 127 LYS CA C 57 0.3 1 861 127 127 LYS CB C 32.8 0.3 1 862 127 127 LYS N N 126.6 0.2 1 863 128 128 ASP H H 8.59 0.02 1 864 128 128 ASP HA H 4.83 0.02 1 865 128 128 ASP HB2 H 2.71 0.02 2 866 128 128 ASP HB3 H 2.97 0.02 2 867 128 128 ASP C C 177.1 0.3 1 868 128 128 ASP CA C 53.7 0.3 1 869 128 128 ASP CB C 41.5 0.3 1 870 128 128 ASP N N 118.1 0.2 1 871 129 129 GLY H H 8.57 0.02 1 872 129 129 GLY HA2 H 4.05 0.02 2 873 129 129 GLY C C 175.7 0.3 1 874 129 129 GLY CA C 46.5 0.3 1 875 129 129 GLY N N 111.6 0.2 1 876 130 130 SER H H 9.1 0.02 1 877 130 130 SER HA H 4.35 0.02 1 878 130 130 SER HB2 H 3.92 0.02 2 879 130 130 SER HB3 H 4.05 0.02 2 880 130 130 SER C C 176.5 0.3 1 881 130 130 SER CA C 59.9 0.3 1 882 130 130 SER CB C 64.4 0.3 1 883 130 130 SER N N 117.8 0.2 1 884 131 131 GLY H H 9.97 0.02 1 885 131 131 GLY HA2 H 3.86 0.02 2 886 131 131 GLY HA3 H 4.11 0.02 2 887 131 131 GLY C C 172.8 0.3 1 888 131 131 GLY CA C 46.5 0.3 1 889 131 131 GLY N N 115 0.2 1 890 132 132 SER H H 7.85 0.02 1 891 132 132 SER HA H 5.66 0.02 1 892 132 132 SER HB2 H 3.65 0.02 2 893 132 132 SER HB3 H 3.52 0.02 2 894 132 132 SER C C 173.2 0.3 1 895 132 132 SER CA C 56.4 0.3 1 896 132 132 SER CB C 66.8 0.3 1 897 132 132 SER N N 112.3 0.2 1 898 133 133 ILE H H 8.73 0.02 1 899 133 133 ILE HA H 5 0.02 1 900 133 133 ILE HB H 1.86 0.02 1 901 133 133 ILE C C 174.6 0.3 1 902 133 133 ILE CA C 59.2 0.3 1 903 133 133 ILE CB C 42.1 0.3 1 904 133 133 ILE N N 113 0.2 1 905 134 134 SER H H 9.16 0.02 1 906 134 134 SER HA H 4.9 0.02 1 907 134 134 SER C C 174.8 0.3 1 908 134 134 SER CA C 56 0.3 1 909 134 134 SER CB C 66.7 0.3 1 910 134 134 SER N N 118.6 0.2 1 911 135 135 LEU H H 8.75 0.02 1 912 135 135 LEU HA H 2.96 0.02 1 913 135 135 LEU HB2 H 1.48 0.02 2 914 135 135 LEU HB3 H 0.74 0.02 2 915 135 135 LEU C C 178.1 0.3 1 916 135 135 LEU CA C 57.9 0.3 1 917 135 135 LEU CB C 40.5 0.3 1 918 135 135 LEU N N 123.2 0.2 1 919 136 136 ASP H H 8.14 0.02 1 920 136 136 ASP HA H 4.23 0.02 1 921 136 136 ASP HB2 H 2.62 0.02 2 922 136 136 ASP C C 179.1 0.3 1 923 136 136 ASP CA C 57.5 0.3 1 924 136 136 ASP CB C 40.4 0.3 1 925 136 136 ASP N N 117 0.2 1 926 137 137 GLU H H 7.41 0.02 1 927 137 137 GLU HA H 3.75 0.02 1 928 137 137 GLU C C 177.4 0.3 1 929 137 137 GLU CA C 59.2 0.3 1 930 137 137 GLU CB C 28 0.3 1 931 137 137 GLU N N 122.4 0.2 1 932 138 138 TRP H H 8.43 0.02 1 933 138 138 TRP HA H 4.62 0.02 1 934 138 138 TRP C C 178.1 0.3 1 935 138 138 TRP CA C 59.2 0.3 1 936 138 138 TRP CB C 31.3 0.3 1 937 138 138 TRP N N 121.4 0.2 1 938 139 139 LYS H H 8.9 0.02 1 939 139 139 LYS HA H 3.62 0.02 1 940 139 139 LYS C C 180.5 0.3 1 941 139 139 LYS CA C 59.6 0.3 1 942 139 139 LYS CB C 32.5 0.3 1 943 139 139 LYS N N 117.9 0.2 1 944 140 140 THR H H 7.83 0.02 1 945 140 140 THR HA H 3.95 0.02 1 946 140 140 THR HB H 4.58 0.02 1 947 140 140 THR C C 179.1 0.3 1 948 140 140 THR CA C 66.8 0.3 1 949 140 140 THR CB C 68.1 0.3 1 950 140 140 THR N N 118 0.2 1 951 141 141 TYR H H 8.7 0.02 1 952 141 141 TYR HA H 3.92 0.02 1 953 141 141 TYR C C 179.2 0.3 1 954 141 141 TYR CA C 63.5 0.3 1 955 141 141 TYR CB C 38.1 0.3 1 956 141 141 TYR N N 122 0.2 1 957 142 142 GLY H H 9.52 0.02 1 958 142 142 GLY HA2 H 2.79 0.02 2 959 142 142 GLY HA3 H 3.42 0.02 2 960 142 142 GLY C C 175.7 0.3 1 961 142 142 GLY CA C 47.6 0.3 1 962 142 142 GLY N N 110.9 0.2 1 963 143 143 GLY H H 7.87 0.02 1 964 143 143 GLY HA2 H 3.94 0.02 2 965 143 143 GLY HA3 H 3.74 0.02 2 966 143 143 GLY C C 175.6 0.3 1 967 143 143 GLY CA C 46.2 0.3 1 968 143 143 GLY N N 106.8 0.2 1 969 144 144 ILE H H 7.95 0.02 1 970 144 144 ILE HA H 3.89 0.02 1 971 144 144 ILE HB H 1.79 0.02 1 972 144 144 ILE C C 178.5 0.3 1 973 144 144 ILE CA C 63.3 0.3 1 974 144 144 ILE CB C 38.1 0.3 1 975 144 144 ILE N N 122.1 0.2 1 976 145 145 SER H H 8.5 0.02 1 977 145 145 SER HA H 3.87 0.02 1 978 145 145 SER C C 174.6 0.3 1 979 145 145 SER CA C 60.8 0.3 1 980 145 145 SER CB C 64.4 0.3 1 981 145 145 SER N N 113.7 0.2 1 982 146 146 GLY H H 6.73 0.02 1 983 146 146 GLY HA2 H 3.55 0.02 2 984 146 146 GLY HA3 H 4.47 0.02 2 985 146 146 GLY C C 173 0.3 1 986 146 146 GLY CA C 45.7 0.3 1 987 146 146 GLY N N 109.9 0.2 1 988 147 147 ILE H H 7.48 0.02 1 989 147 147 ILE HA H 3.82 0.02 1 990 147 147 ILE HB H 1.25 0.02 1 991 147 147 ILE C C 171.9 0.3 1 992 147 147 ILE CA C 62.9 0.3 1 993 147 147 ILE CB C 41.6 0.3 1 994 147 147 ILE N N 118.9 0.2 1 995 148 148 CYS H H 7.06 0.02 1 996 148 148 CYS HA H 4.35 0.02 1 997 148 148 CYS CA C 57.5 0.3 1 998 148 148 CYS CB C 26.5 0.3 1 999 148 148 CYS N N 115.9 0.2 1 1000 149 149 PRO HA H 3.91 0.02 1 1001 149 149 PRO HB2 H 2.01 0.02 2 1002 149 149 PRO HB3 H 1.67 0.02 2 1003 149 149 PRO C C 175.3 0.3 1 1004 149 149 PRO CB C 31.9 0.3 1 1005 149 149 PRO CA C 65 0.3 1 1006 150 150 SER H H 7.48 0.02 1 1007 150 150 SER HA H 4.85 0.02 1 1008 150 150 SER HB2 H 3.87 0.02 2 1009 150 150 SER HB3 H 4.13 0.02 2 1010 150 150 SER C C 174.1 0.3 1 1011 150 150 SER CA C 56.4 0.3 1 1012 150 150 SER CB C 66.5 0.3 1 1013 150 150 SER N N 113.5 0.2 1 1014 151 151 ASP H H 8.88 0.02 1 1015 151 151 ASP HA H 4.09 0.02 1 1016 151 151 ASP HB2 H 2.61 0.02 2 1017 151 151 ASP C C 177.7 0.3 1 1018 151 151 ASP CA C 57.7 0.3 1 1019 151 151 ASP CB C 40.5 0.3 1 1020 151 151 ASP N N 124 0.2 1 1021 152 152 GLU H H 8.58 0.02 1 1022 152 152 GLU HA H 3.97 0.02 1 1023 152 152 GLU HB2 H 1.88 0.02 2 1024 152 152 GLU HB3 H 2.03 0.02 2 1025 152 152 GLU C C 179.3 0.3 1 1026 152 152 GLU CA C 59.5 0.3 1 1027 152 152 GLU CB C 29.4 0.3 1 1028 152 152 GLU N N 117 0.2 1 1029 153 153 ASP H H 7.53 0.02 1 1030 153 153 ASP HA H 4.62 0.02 1 1031 153 153 ASP HB2 H 2.47 0.02 2 1032 153 153 ASP HB3 H 2.79 0.02 2 1033 153 153 ASP C C 176.4 0.3 1 1034 153 153 ASP CA C 58.2 0.3 1 1035 153 153 ASP CB C 41.6 0.3 1 1036 153 153 ASP N N 118.8 0.2 1 1037 154 154 ALA H H 7.57 0.02 1 1038 154 154 ALA HA H 4.4 0.02 1 1039 154 154 ALA HB H 1.4 0.02 1 1040 154 154 ALA C C 179.8 0.3 1 1041 154 154 ALA CA C 55.5 0.3 1 1042 154 154 ALA CB C 19.6 0.3 1 1043 154 154 ALA N N 121.8 0.2 1 1044 155 155 GLU H H 8.29 0.02 1 1045 155 155 GLU HA H 3.98 0.02 1 1046 155 155 GLU HB2 H 2.14 0.02 2 1047 155 155 GLU HB3 H 2.03 0.02 2 1048 155 155 GLU C C 180.5 0.3 1 1049 155 155 GLU CA C 59.2 0.3 1 1050 155 155 GLU CB C 29 0.3 1 1051 155 155 GLU N N 114.8 0.2 1 1052 156 156 LYS H H 7.79 0.02 1 1053 156 156 LYS HA H 4 0.02 1 1054 156 156 LYS C C 179.9 0.3 1 1055 156 156 LYS CA C 60.8 0.3 1 1056 156 156 LYS CB C 31.4 0.3 1 1057 156 156 LYS N N 120.8 0.2 1 1058 157 157 THR H H 8.35 0.02 1 1059 157 157 THR HA H 3.95 0.02 1 1060 157 157 THR C C 176.6 0.3 1 1061 157 157 THR CA C 66.9 0.3 1 1062 157 157 THR CB C 69 0.3 1 1063 157 157 THR N N 119.6 0.2 1 1064 158 158 PHE H H 7.38 0.02 1 1065 158 158 PHE HA H 3.75 0.02 1 1066 158 158 PHE CA C 62.8 0.3 1 1067 158 158 PHE CB C 38.8 0.3 1 1068 158 158 PHE C C 176.8 0.3 1 1069 158 158 PHE N N 122.2 0.2 1 1070 165 165 ASN HD21 H 7.63 0.02 2 1071 165 165 ASN HD22 H 6.95 0.02 2 1072 165 165 ASN CA C 55.8 0.3 1 1073 165 165 ASN CB C 37.8 0.3 1 1074 165 165 ASN ND2 N 112.2 0.2 1 1075 166 166 SER H H 8.67 0.02 1 1076 166 166 SER HA H 4.65 0.02 1 1077 166 166 SER HB2 H 4.02 0.02 2 1078 166 166 SER C C 174.6 0.3 1 1079 166 166 SER CA C 58.2 0.3 1 1080 166 166 SER CB C 64.2 0.3 1 1081 166 166 SER N N 115.8 0.2 1 1082 167 167 GLY H H 8.39 0.02 1 1083 167 167 GLY HA2 H 3.95 0.02 2 1084 167 167 GLY C C 173.5 0.3 1 1085 167 167 GLY CA C 45.8 0.3 1 1086 167 167 GLY N N 111.1 0.2 1 1087 168 168 LYS H H 8.28 0.02 1 1088 168 168 LYS C C 173.7 0.3 1 1089 168 168 LYS CA C 55.6 0.3 1 1090 168 168 LYS CB C 34.4 0.3 1 1091 168 168 LYS N N 119.6 0.2 1 1092 169 169 LEU H H 8.67 0.02 1 1093 169 169 LEU C C 174.9 0.3 1 1094 169 169 LEU CA C 53.4 0.3 1 1095 169 169 LEU CB C 45.4 0.3 1 1096 169 169 LEU N N 123.8 0.2 1 1097 170 170 ASP H H 8.68 0.02 1 1098 170 170 ASP HA H 5.38 0.02 1 1099 170 170 ASP HB2 H 3.19 0.02 2 1100 170 170 ASP C C 176.6 0.3 1 1101 170 170 ASP CA C 51.9 0.3 1 1102 170 170 ASP CB C 43.7 0.3 1 1103 170 170 ASP N N 125.8 0.2 1 1104 171 171 VAL H H 8.21 0.02 1 1105 171 171 VAL HA H 3.32 0.02 1 1106 171 171 VAL HB H 1.44 0.02 1 1107 171 171 VAL C C 178.6 0.3 1 1108 171 171 VAL CA C 64.7 0.3 1 1109 171 171 VAL CB C 31.5 0.3 1 1110 171 171 VAL N N 119.7 0.2 1 1111 172 172 ASP H H 8.79 0.02 1 1112 172 172 ASP HA H 4.45 0.02 1 1113 172 172 ASP HB2 H 2.74 0.02 2 1114 172 172 ASP HB3 H 2.97 0.02 2 1115 172 172 ASP C C 178.4 0.3 1 1116 172 172 ASP CA C 58.4 0.3 1 1117 172 172 ASP CB C 40.7 0.3 1 1118 172 172 ASP N N 128.2 0.2 1 1119 173 173 GLU H H 8.39 0.02 1 1120 173 173 GLU HA H 4.42 0.02 1 1121 173 173 GLU C C 178.5 0.3 1 1122 173 173 GLU CA C 58.4 0.3 1 1123 173 173 GLU CB C 28.6 0.3 1 1124 173 173 GLU N N 123.9 0.2 1 1125 174 174 MET H H 8.34 0.02 1 1126 174 174 MET HA H 3.85 0.02 1 1127 174 174 MET C C 178.4 0.3 1 1128 174 174 MET CA C 57.4 0.3 1 1129 174 174 MET CB C 32.8 0.3 1 1130 174 174 MET N N 118.3 0.2 1 1131 175 175 THR H H 8.21 0.02 1 1132 175 175 THR CA C 68.1 0.3 1 1133 175 175 THR N N 114.4 0.2 1 1134 176 176 ARG H H 7.83 0.02 1 1135 176 176 ARG HA H 3.55 0.02 1 1136 176 176 ARG C C 179.9 0.3 1 1137 176 176 ARG CA C 60.8 0.3 1 1138 176 176 ARG CB C 30.6 0.3 1 1139 176 176 ARG N N 121.1 0.2 1 1140 177 177 GLN H H 8.37 0.02 1 1141 177 177 GLN HA H 3.87 0.02 1 1142 177 177 GLN C C 178.5 0.3 1 1143 177 177 GLN CA C 58.7 0.3 1 1144 177 177 GLN CB C 26.4 0.3 1 1145 177 177 GLN N N 118.1 0.2 1 1146 178 178 HIS H H 8.43 0.02 1 1147 178 178 HIS HA H 4.35 0.02 1 1148 178 178 HIS C C 178.2 0.3 1 1149 178 178 HIS CA C 58.1 0.3 1 1150 178 178 HIS CB C 29.4 0.3 1 1151 178 178 HIS N N 117.5 0.2 1 1152 179 179 LEU H H 8.43 0.02 1 1153 179 179 LEU HA H 4.18 0.02 1 1154 179 179 LEU C C 179.6 0.3 1 1155 179 179 LEU CA C 59.4 0.3 1 1156 179 179 LEU CB C 41 0.3 1 1157 179 179 LEU N N 121.7 0.2 1 1158 180 180 GLY H H 7.12 0.02 1 1159 180 180 GLY HA2 H 3.89 0.02 2 1160 180 180 GLY C C 175.5 0.3 1 1161 180 180 GLY CA C 46.8 0.3 1 1162 180 180 GLY N N 104.7 0.2 1 1163 181 181 PHE H H 9.01 0.02 1 1164 181 181 PHE HA H 4.03 0.02 1 1165 181 181 PHE HB2 H 2.06 0.02 2 1166 181 181 PHE HB3 H 3.02 0.02 2 1167 181 181 PHE C C 176.9 0.3 1 1168 181 181 PHE CA C 60.9 0.3 1 1169 181 181 PHE CB C 42.5 0.3 1 1170 181 181 PHE N N 121.2 0.2 1 1171 182 182 TRP H H 8.9 0.02 1 1172 182 182 TRP HA H 5.45 0.02 1 1173 182 182 TRP C C 179.7 0.3 1 1174 182 182 TRP CA C 56.7 0.3 1 1175 182 182 TRP CB C 31.9 0.3 1 1176 182 182 TRP N N 109.7 0.2 1 1177 183 183 TYR H H 7.89 0.02 1 1178 183 183 TYR HA H 6.01 0.02 1 1179 183 183 TYR C C 177.8 0.3 1 1180 183 183 TYR CA C 57.3 0.3 1 1181 183 183 TYR CB C 38.8 0.3 1 1182 183 183 TYR N N 115.8 0.2 1 1183 184 184 THR H H 8.66 0.02 1 1184 184 184 THR HA H 3.97 0.02 1 1185 184 184 THR C C 175 0.3 1 1186 184 184 THR CA C 63 0.3 1 1187 184 184 THR CB C 70 0.3 1 1188 184 184 THR N N 107 0.2 1 1189 185 185 LEU H H 7.73 0.02 1 1190 185 185 LEU CA C 54.8 0.3 1 1191 185 185 LEU CB C 43.1 0.3 1 1192 185 185 LEU N N 123 0.2 1 1193 186 186 ASP H H 8.28 0.02 1 1194 186 186 ASP HA H 4.62 0.02 1 1195 186 186 ASP C C 177.1 0.3 1 1196 186 186 ASP CA C 51.6 0.3 1 1197 186 186 ASP CB C 42.3 0.3 1 1198 186 186 ASP N N 122.3 0.2 1 1199 187 187 PRO HA H 4.42 0.02 1 1200 187 187 PRO HB2 H 2.01 0.02 2 1201 187 187 PRO HB3 H 2.43 0.02 2 1202 187 187 PRO C C 178.9 0.3 1 1203 187 187 PRO CA C 64.8 0.3 1 1204 187 187 PRO CB C 31.9 0.3 1 1205 188 188 ASN H H 8.59 0.02 1 1206 188 188 ASN HA H 4.48 0.02 1 1207 188 188 ASN HB2 H 2.61 0.02 2 1208 188 188 ASN HD21 H 8.07 0.02 2 1209 188 188 ASN HD22 H 6.9 0.02 2 1210 188 188 ASN C C 175.5 0.3 1 1211 188 188 ASN CA C 55.1 0.3 1 1212 188 188 ASN CB C 37.8 0.3 1 1213 188 188 ASN N N 115.7 0.2 1 1214 188 188 ASN ND2 N 115.1 0.2 1 1215 189 189 ALA H H 8.32 0.02 1 1216 189 189 ALA HA H 4.58 0.02 1 1217 189 189 ALA HB H 1.63 0.02 1 1218 189 189 ALA C C 175.8 0.3 1 1219 189 189 ALA CA C 51.9 0.3 1 1220 189 189 ALA CB C 19.2 0.3 1 1221 189 189 ALA N N 120.5 0.2 1 1222 190 190 ASP H H 7.01 0.02 1 1223 190 190 ASP HA H 4.45 0.02 1 1224 190 190 ASP C C 176.9 0.3 1 1225 190 190 ASP CA C 56.7 0.3 1 1226 190 190 ASP CB C 39.6 0.3 1 1227 190 190 ASP N N 118 0.2 1 1228 191 191 GLY H H 8.43 0.02 1 1229 191 191 GLY HA2 H 3.57 0.02 2 1230 191 191 GLY HA3 H 4.27 0.02 2 1231 191 191 GLY C C 176.9 0.3 1 1232 191 191 GLY CA C 44.4 0.3 1 1233 191 191 GLY N N 107.6 0.2 1 1234 192 192 LEU H H 7.11 0.02 1 1235 192 192 LEU HA H 2.96 0.02 1 1236 192 192 LEU C C 174 0.3 1 1237 192 192 LEU CA C 57.5 0.3 1 1238 192 192 LEU CB C 42.1 0.3 1 1239 192 192 LEU N N 122.6 0.2 1 1240 193 193 TYR H H 7.24 0.02 1 1241 193 193 TYR HA H 4.1 0.02 1 1242 193 193 TYR C C 175.5 0.3 1 1243 193 193 TYR CA C 57.2 0.3 1 1244 193 193 TYR CB C 37.5 0.3 1 1245 193 193 TYR N N 113.2 0.2 1 1246 194 194 GLY H H 7.4 0.02 1 1247 194 194 GLY HA2 H 3.52 0.02 2 1248 194 194 GLY HA3 H 4.05 0.02 2 1249 194 194 GLY C C 175.1 0.3 1 1250 194 194 GLY CA C 46.7 0.3 1 1251 194 194 GLY N N 104.3 0.2 1 1252 195 195 ASN H H 9.4 0.02 1 1253 195 195 ASN HA H 4.73 0.02 1 1254 195 195 ASN HB2 H 2.81 0.02 2 1255 195 195 ASN HB3 H 2.98 0.02 2 1256 195 195 ASN HD21 H 7.73 0.02 2 1257 195 195 ASN HD22 H 6.97 0.02 2 1258 195 195 ASN C C 175.2 0.3 1 1259 195 195 ASN CA C 52.9 0.3 1 1260 195 195 ASN CB C 39.1 0.3 1 1261 195 195 ASN N N 125.4 0.2 1 1262 195 195 ASN ND2 N 113.1 0.2 1 1263 196 196 PHE H H 7.82 0.02 1 1264 196 196 PHE C C 174 0.3 1 1265 196 196 PHE CA C 62.2 0.3 1 1266 196 196 PHE CB C 39.5 0.3 1 1267 196 196 PHE N N 120.1 0.2 1 stop_ save_