data_7179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Dispersin Solution Structure ; _BMRB_accession_number 7179 _BMRB_flat_file_name bmr7179.str _Entry_type original _Submission_date 2006-06-21 _Accession_date 2006-07-14 _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 Velarde J. J. . 2 Varney K. M. . 3 Inman K. G. . 4 Weber D. J. . 5 Nataro J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 447 "13C chemical shifts" 380 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-11-21 original author 'original release' 2008-07-16 update BMRB 'update entry citation' stop_ _Original_release_date 2006-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the novel dispersin protein of enteroaggregative Escherichia coli. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17986189 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Velarde J. J. . 2 Varney K. M. . 3 Farfan M. . . 4 Dudley E. . . 5 Inman K. G. . 6 Fletcher J. . . 7 Weber D. J. . 8 Nataro J. P. . stop_ _Journal_abbreviation 'Mol. Microbiol.' _Journal_volume 66 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1123 _Page_last 1135 _Year 2007 _Details . loop_ _Keyword 'Beta sandwich' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Dispersin, Aap' _Abbreviation_common 'Dispersin, Aap' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Dispersin, Aap' $Aap stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bond' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Aap _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Dispersin, Aap' _Abbreviation_common 'Dispersin, Aap' _Molecular_mass . _Mol_thiol_state 'all disulfide bond' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GGSGWNADNVDPSQCIKQSG VQYTYNSGVSVCMQGLNEGK VRGVSVSGVFYYNDGTTSNF KGVVTPSTPVNTNQDINKTN KVGVQKYRALTEWVGSRSHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 SER 4 GLY 5 TRP 6 ASN 7 ALA 8 ASP 9 ASN 10 VAL 11 ASP 12 PRO 13 SER 14 GLN 15 CYS 16 ILE 17 LYS 18 GLN 19 SER 20 GLY 21 VAL 22 GLN 23 TYR 24 THR 25 TYR 26 ASN 27 SER 28 GLY 29 VAL 30 SER 31 VAL 32 CYS 33 MET 34 GLN 35 GLY 36 LEU 37 ASN 38 GLU 39 GLY 40 LYS 41 VAL 42 ARG 43 GLY 44 VAL 45 SER 46 VAL 47 SER 48 GLY 49 VAL 50 PHE 51 TYR 52 TYR 53 ASN 54 ASP 55 GLY 56 THR 57 THR 58 SER 59 ASN 60 PHE 61 LYS 62 GLY 63 VAL 64 VAL 65 THR 66 PRO 67 SER 68 THR 69 PRO 70 VAL 71 ASN 72 THR 73 ASN 74 GLN 75 ASP 76 ILE 77 ASN 78 LYS 79 THR 80 ASN 81 LYS 82 VAL 83 GLY 84 VAL 85 GLN 86 LYS 87 TYR 88 ARG 89 ALA 90 LEU 91 THR 92 GLU 93 TRP 94 VAL 95 GLY 96 SER 97 ARG 98 SER 99 HIS 100 HIS 101 HIS 102 HIS 103 HIS 104 HIS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 2JVU 'Solution Structure Of Dispersin From Enteroaggregative Escherichia Coli' 100.00 104 100.00 100.00 6.29e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Aap 'Escherichia coli' 562 Bacteria . 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 $Aap 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Aap 1 mM '[U-15N; U-13C]' Phosphate 45 mM . NaCl 45 mM . EDTA 0.2 mM . NaN3 0.2 mM . DTT 0.1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.1 loop_ _Task refinement stop_ _Details 'Schwieters, C.D., Clore, G.M.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.8 loop_ _Task processing stop_ _Details 'Delaglio, F. et al.' save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_4D_13C-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated NOESY' _Sample_label $sample_1 save_ save_4D_13C/15N-separated_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-edited_HOHAHA-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited HOHAHA-HSQC' _Sample_label $sample_1 save_ save_3D_15N_edited_HMQC-NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited HMQC-NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_15N_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N HNHA' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCA(CO)N_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCA(CO)N' _Sample_label $sample_1 save_ save_IPAP-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP-HSQC _Sample_label $sample_1 save_ save_3D_HN(CO)CA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '2D TOCSY' '3D 13C-separated NOESY' '3D 15N-separated NOESY' '4D 13C-separated NOESY' '4D 13C/15N-separated NOESY' '3D 15N-edited HOHAHA-HSQC' '3D 15N edited HMQC-NOESY-HSQC' '3D 15N HNHA' '3D HNCO' '3D C(CO)NH' '3D CBCA(CO)NH' '3D HNCACB' '3D HCA(CO)N' IPAP-HSQC '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Dispersin, Aap' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 GLY CA C 44.99 . 1 2 . 3 SER HA H 4.51 . 1 3 . 3 SER HB2 H 3.93 . 2 4 . 3 SER HB3 H 3.86 . 2 5 . 3 SER CA C 58.11 . 1 6 . 3 SER CB C 63.97 . 1 7 . 4 GLY H H 8.49 . 1 8 . 4 GLY HA2 H 3.95 . 2 9 . 4 GLY C C 173.47 . 1 10 . 4 GLY CA C 44.75 . 1 11 . 4 GLY N N 111.36 . 1 12 . 5 TRP H H 9.05 . 1 13 . 5 TRP HA H 3.93 . 1 14 . 5 TRP HB2 H 2.97 . 2 15 . 5 TRP HB3 H 2.81 . 2 16 . 5 TRP HD1 H 7.16 . 1 17 . 5 TRP HE1 H 10.64 . 1 18 . 5 TRP HE3 H 7.06 . 1 19 . 5 TRP HZ2 H 6.84 . 1 20 . 5 TRP HZ3 H 6.37 . 1 21 . 5 TRP HH2 H 5.19 . 1 22 . 5 TRP C C 175.97 . 1 23 . 5 TRP CA C 60.69 . 1 24 . 5 TRP CB C 30.22 . 1 25 . 5 TRP CD1 C 127.35 . 1 26 . 5 TRP CZ2 C 113.89 . 1 27 . 5 TRP CZ3 C 121.36 . 1 28 . 5 TRP CH2 C 123.23 . 1 29 . 5 TRP N N 125.8 . 1 30 . 5 TRP NE1 N 130.31 . 1 31 . 6 ASN H H 7.49 . 1 32 . 6 ASN HA H 4.61 . 1 33 . 6 ASN HB2 H 2.59 . 2 34 . 6 ASN HB3 H 2.42 . 2 35 . 6 ASN C C 173.47 . 1 36 . 6 ASN CA C 51.78 . 1 37 . 6 ASN CB C 41 . 1 38 . 6 ASN N N 126.45 . 1 39 . 7 ALA H H 8.61 . 1 40 . 7 ALA HA H 2.66 . 1 41 . 7 ALA HB H 1.02 . 1 42 . 7 ALA C C 177.93 . 1 43 . 7 ALA CA C 54.36 . 1 44 . 7 ALA CB C 18.27 . 1 45 . 7 ALA N N 130.7 . 1 46 . 8 ASP H H 7.95 . 1 47 . 8 ASP HA H 4.34 . 1 48 . 8 ASP HB2 H 2.59 . 2 49 . 8 ASP HB3 H 2.37 . 2 50 . 8 ASP C C 176.86 . 1 51 . 8 ASP CA C 56 . 1 52 . 8 ASP CB C 40.06 . 1 53 . 8 ASP N N 113.94 . 1 54 . 9 ASN H H 7.52 . 1 55 . 9 ASN HA H 4.75 . 1 56 . 9 ASN HB2 H 2.89 . 2 57 . 9 ASN HB3 H 2.51 . 2 58 . 9 ASN C C 174.18 . 1 59 . 9 ASN CA C 52.25 . 1 60 . 9 ASN CB C 39.6 . 1 61 . 9 ASN N N 114.97 . 1 62 . 10 VAL H H 7.18 . 1 63 . 10 VAL HA H 4.12 . 1 64 . 10 VAL HB H 1.8 . 1 65 . 10 VAL HG1 H 0.32 . 1 66 . 10 VAL HG2 H 1.09 . 1 67 . 10 VAL C C 174.18 . 1 68 . 10 VAL CA C 60.92 . 1 69 . 10 VAL CB C 33.97 . 1 70 . 10 VAL CG1 C 19.44 . 1 71 . 10 VAL CG2 C 21.9 . 1 72 . 10 VAL N N 121.93 . 1 73 . 11 ASP H H 8.64 . 1 74 . 11 ASP HA H 4.75 . 1 75 . 11 ASP HB2 H 2.74 . 2 76 . 11 ASP HB3 H 2.8 . 2 77 . 11 ASP CA C 51.78 . 1 78 . 11 ASP CB C 41.24 . 1 79 . 11 ASP N N 130.57 . 1 80 . 12 PRO HA H 3.43 . 1 81 . 12 PRO HB2 H 0.98 . 2 82 . 12 PRO HB3 H 0.0 . 2 83 . 12 PRO HG2 H 1.59 . 2 84 . 12 PRO HG3 H 1.73 . 2 85 . 12 PRO HD2 H 4.09 . 2 86 . 12 PRO C C 178.47 . 1 87 . 12 PRO CA C 64.52 . 1 88 . 12 PRO CB C 30.06 . 1 89 . 12 PRO CG C 26.01 . 1 90 . 12 PRO CD C 50.03 . 1 91 . 12 PRO N N 140.46 . 1 92 . 13 SER H H 8.19 . 1 93 . 13 SER HA H 3.79 . 1 94 . 13 SER HB2 H 3.92 . 2 95 . 13 SER C C 175.61 . 1 96 . 13 SER CA C 61.63 . 1 97 . 13 SER CB C 62.33 . 1 98 . 13 SER N N 115.1 . 1 99 . 14 GLN H H 7.45 . 1 100 . 14 GLN HA H 4.42 . 1 101 . 14 GLN HB2 H 2.15 . 2 102 . 14 GLN HB3 H 2.29 . 2 103 . 14 GLN HG2 H 2.29 . 2 104 . 14 GLN HG3 H 2.53 . 2 105 . 14 GLN C C 177.04 . 1 106 . 14 GLN CA C 56 . 1 107 . 14 GLN CB C 28.81 . 1 108 . 14 GLN CG C 34.03 . 1 109 . 14 GLN N N 117.68 . 1 110 . 15 CYS H H 7.72 . 1 111 . 15 CYS HA H 5.02 . 1 112 . 15 CYS HB2 H 3.03 . 2 113 . 15 CYS HB3 H 2.34 . 2 114 . 15 CYS C C 172.76 . 1 115 . 15 CYS CA C 53.19 . 1 116 . 15 CYS CB C 37.72 . 1 117 . 15 CYS N N 116.26 . 1 118 . 16 ILE H H 7.16 . 1 119 . 16 ILE HA H 5.05 . 1 120 . 16 ILE HB H 1.74 . 1 121 . 16 ILE HG12 H 1.3 . 2 122 . 16 ILE HG13 H 0.93 . 2 123 . 16 ILE HG2 H 0.55 . 1 124 . 16 ILE HD1 H 0.32 . 1 125 . 16 ILE C C 173.29 . 1 126 . 16 ILE CA C 58.58 . 1 127 . 16 ILE CB C 42.41 . 1 128 . 16 ILE CG1 C 24.01 . 1 129 . 16 ILE CG2 C 17.92 . 1 130 . 16 ILE CD1 C 14.4 . 1 131 . 16 ILE N N 113.17 . 1 132 . 17 LYS H H 9.02 . 1 133 . 17 LYS HA H 4.64 . 1 134 . 17 LYS HB2 H 1.63 . 2 135 . 17 LYS HG2 H 1.11 . 2 136 . 17 LYS HE2 H 2.95 . 2 137 . 17 LYS C C 174.36 . 1 138 . 17 LYS CA C 54.36 . 1 139 . 17 LYS CB C 35.38 . 1 140 . 17 LYS CG C 23.54 . 1 141 . 17 LYS CD C 28.94 . 1 142 . 17 LYS CE C 41.83 . 1 143 . 17 LYS N N 120.13 . 1 144 . 18 GLN H H 8.8 . 1 145 . 18 GLN HA H 3.9 . 1 146 . 18 GLN HB2 H 1.82 . 2 147 . 18 GLN HB3 H 1.35 . 2 148 . 18 GLN HG2 H 1.63 . 2 149 . 18 GLN HG3 H 1.44 . 2 150 . 18 GLN C C 175.26 . 1 151 . 18 GLN CA C 55.53 . 1 152 . 18 GLN CB C 28.58 . 1 153 . 18 GLN CG C 33.51 . 1 154 . 18 GLN N N 126.58 . 1 155 . 19 SER H H 8.64 . 1 156 . 19 SER HA H 4.53 . 1 157 . 19 SER HB2 H 3.57 . 2 158 . 19 SER HB3 H 3.74 . 2 159 . 19 SER C C 174.54 . 1 160 . 19 SER CA C 56.24 . 1 161 . 19 SER CB C 63.27 . 1 162 . 19 SER N N 124.9 . 1 163 . 20 GLY H H 8.84 . 1 164 . 20 GLY HA2 H 3.54 . 2 165 . 20 GLY HA3 H 4.04 . 2 166 . 20 GLY C C 175.26 . 1 167 . 20 GLY CA C 46.86 . 1 168 . 20 GLY N N 116.65 . 1 169 . 21 VAL H H 8.53 . 1 170 . 21 VAL HA H 4.53 . 1 171 . 21 VAL HB H 2.48 . 1 172 . 21 VAL HG1 H 0.79 . 2 173 . 21 VAL HG2 H 0.76 . 2 174 . 21 VAL C C 174.54 . 1 175 . 21 VAL CA C 60.22 . 1 176 . 21 VAL CB C 30.11 . 1 177 . 21 VAL CG1 C 18.04 . 2 178 . 21 VAL CG2 C 20.97 . 2 179 . 21 VAL N N 121.42 . 1 180 . 22 GLN H H 7.61 . 1 181 . 22 GLN HA H 5.46 . 1 182 . 22 GLN HB2 H 1.88 . 2 183 . 22 GLN HG2 H 2.37 . 2 184 . 22 GLN HG3 H 2.18 . 2 185 . 22 GLN C C 175.08 . 1 186 . 22 GLN CA C 54.36 . 1 187 . 22 GLN CB C 33.74 . 1 188 . 22 GLN CG C 34.03 . 1 189 . 22 GLN N N 118.58 . 1 190 . 23 TYR H H 9.22 . 1 191 . 23 TYR HA H 5.29 . 1 192 . 23 TYR HB2 H 2.62 . 2 193 . 23 TYR HB3 H 1.78 . 2 194 . 23 TYR HD1 H 6.62 . 3 195 . 23 TYR HE1 H 6.72 . 3 196 . 23 TYR C C 175.79 . 1 197 . 23 TYR CA C 58.11 . 1 198 . 23 TYR CB C 42.41 . 1 199 . 23 TYR CD1 C 132.28 . 3 200 . 23 TYR CE1 C 118 . 3 201 . 23 TYR N N 119.74 . 1 202 . 24 THR H H 8.9 . 1 203 . 24 THR HA H 4.94 . 1 204 . 24 THR HB H 4.28 . 1 205 . 24 THR HG2 H 1.12 . 1 206 . 24 THR C C 173.65 . 1 207 . 24 THR CA C 58.34 . 1 208 . 24 THR CB C 71.7 . 1 209 . 24 THR CG2 C 21.9 . 1 210 . 24 THR N N 110.85 . 1 211 . 25 TYR H H 9.28 . 1 212 . 25 TYR HA H 4.23 . 1 213 . 25 TYR HB2 H 2.71 . 2 214 . 25 TYR HB3 H 2.52 . 2 215 . 25 TYR HD1 H 6.7 . 3 216 . 25 TYR HE1 H 6.59 . 3 217 . 25 TYR C C 176.33 . 1 218 . 25 TYR CA C 59.52 . 1 219 . 25 TYR CB C 40.38 . 1 220 . 25 TYR CD1 C 133.03 . 3 221 . 25 TYR CE1 C 118 . 3 222 . 25 TYR N N 123.48 . 1 223 . 26 ASN H H 7.94 . 1 224 . 26 ASN HA H 4.96 . 1 225 . 26 ASN HB2 H 3.03 . 2 226 . 26 ASN HB3 H 2.02 . 2 227 . 26 ASN C C 174.18 . 1 228 . 26 ASN CA C 50.84 . 1 229 . 26 ASN CB C 35.61 . 1 230 . 26 ASN N N 129.02 . 1 231 . 27 SER H H 7.93 . 1 232 . 27 SER HA H 4.55 . 1 233 . 27 SER HB2 H 4.12 . 2 234 . 27 SER HB3 H 3.9 . 2 235 . 27 SER C C 174.54 . 1 236 . 27 SER CA C 59.52 . 1 237 . 27 SER CB C 63.5 . 1 238 . 27 SER N N 117.03 . 1 239 . 28 GLY H H 8.64 . 1 240 . 28 GLY HA2 H 4.16 . 2 241 . 28 GLY HA3 H 3.69 . 2 242 . 28 GLY C C 173.29 . 1 243 . 28 GLY CA C 44.75 . 1 244 . 28 GLY N N 108.78 . 1 245 . 29 VAL H H 7.12 . 1 246 . 29 VAL HA H 4.25 . 1 247 . 29 VAL HB H 2.04 . 1 248 . 29 VAL HG1 H 0.92 . 1 249 . 29 VAL HG2 H 1.09 . 1 250 . 29 VAL CA C 61.39 . 1 251 . 29 VAL CB C 32.56 . 1 252 . 29 VAL CG1 C 20.87 . 1 253 . 29 VAL CG2 C 21.99 . 1 254 . 29 VAL N N 121.8 . 1 255 . 30 SER C C 178.47 . 1 256 . 30 SER CA C 61.63 . 1 257 . 30 SER CB C 62.81 . 1 258 . 31 VAL H H 8.7 . 1 259 . 31 VAL HA H 4.42 . 1 260 . 31 VAL HB H 2.43 . 1 261 . 31 VAL HG1 H 1.12 . 1 262 . 31 VAL HG2 H 1.31 . 1 263 . 31 VAL C C 176.86 . 1 264 . 31 VAL CA C 65.61 . 1 265 . 31 VAL CB C 31.86 . 1 266 . 31 VAL CG1 C 20.38 . 1 267 . 31 VAL CG2 C 21.9 . 1 268 . 31 VAL N N 119.61 . 1 269 . 32 CYS H H 7.6 . 1 270 . 32 CYS HA H 5.07 . 1 271 . 32 CYS HB2 H 3.46 . 2 272 . 32 CYS HB3 H 2.97 . 2 273 . 32 CYS C C 177.93 . 1 274 . 32 CYS CA C 56.47 . 1 275 . 32 CYS CB C 37.49 . 1 276 . 32 CYS N N 117.42 . 1 277 . 33 MET H H 7.78 . 1 278 . 33 MET HA H 5.05 . 1 279 . 33 MET HB2 H 2.12 . 2 280 . 33 MET HG2 H 2.85 . 2 281 . 33 MET HG3 H 2.48 . 2 282 . 33 MET HE H 2.11 . 1 283 . 33 MET C C 178.29 . 1 284 . 33 MET CA C 54.36 . 1 285 . 33 MET CB C 30.45 . 1 286 . 33 MET CG C 31.75 . 1 287 . 33 MET CE C 15 . 1 288 . 33 MET N N 121.93 . 1 289 . 34 GLN H H 8.17 . 1 290 . 34 GLN HA H 3.81 . 1 291 . 34 GLN HB2 H 2.05 . 2 292 . 34 GLN HB3 H 1.59 . 2 293 . 34 GLN HG2 H 2.38 . 2 294 . 34 GLN HG3 H 2.05 . 2 295 . 34 GLN C C 176.51 . 1 296 . 34 GLN CA C 59.52 . 1 297 . 34 GLN CB C 28.11 . 1 298 . 34 GLN CG C 32.33 . 1 299 . 34 GLN N N 121.8 . 1 300 . 35 GLY H H 5.74 . 1 301 . 35 GLY HA2 H 2.05 . 2 302 . 35 GLY HA3 H 0.98 . 2 303 . 35 GLY C C 175.26 . 1 304 . 35 GLY CA C 46.16 . 1 305 . 35 GLY N N 101.7 . 1 306 . 36 LEU H H 6.27 . 1 307 . 36 LEU HA H 4.15 . 1 308 . 36 LEU HB2 H 1.72 . 2 309 . 36 LEU HB3 H 1.47 . 2 310 . 36 LEU HG H 1.47 . 1 311 . 36 LEU HD1 H 0.6 . 2 312 . 36 LEU HD2 H 0.62 . 2 313 . 36 LEU C C 180.79 . 1 314 . 36 LEU CA C 56.94 . 1 315 . 36 LEU CB C 41.7 . 1 316 . 36 LEU CG C 26.85 . 1 317 . 36 LEU CD1 C 23.49 . 2 318 . 36 LEU CD2 C 26.85 . 2 319 . 36 LEU N N 121.42 . 1 320 . 37 ASN H H 8.3 . 1 321 . 37 ASN HA H 4.31 . 1 322 . 37 ASN HB2 H 2.78 . 2 323 . 37 ASN C C 177.58 . 1 324 . 37 ASN CA C 55.3 . 1 325 . 37 ASN CB C 37.49 . 1 326 . 37 ASN N N 120.77 . 1 327 . 38 GLU H H 7.72 . 1 328 . 38 GLU HA H 4.2 . 1 329 . 38 GLU HB2 H 2.21 . 2 330 . 38 GLU HB3 H 1.63 . 2 331 . 38 GLU HG2 H 2.51 . 2 332 . 38 GLU HG3 H 2.21 . 2 333 . 38 GLU C C 176.68 . 1 334 . 38 GLU CA C 56.47 . 1 335 . 38 GLU CB C 30.45 . 1 336 . 38 GLU CG C 36.67 . 1 337 . 38 GLU N N 116.26 . 1 338 . 39 GLY H H 7.65 . 1 339 . 39 GLY HA2 H 3.98 . 2 340 . 39 GLY HA3 H 3.82 . 2 341 . 39 GLY C C 174.72 . 1 342 . 39 GLY CA C 45.69 . 1 343 . 39 GLY N N 108.27 . 1 344 . 40 LYS H H 7.82 . 1 345 . 40 LYS HA H 4.15 . 1 346 . 40 LYS HB2 H 2.02 . 2 347 . 40 LYS HB3 H 1.44 . 2 348 . 40 LYS HG2 H 1.44 . 2 349 . 40 LYS HD2 H 1.72 . 2 350 . 40 LYS HE2 H 3.28 . 2 351 . 40 LYS C C 176.86 . 1 352 . 40 LYS CA C 57.64 . 1 353 . 40 LYS CB C 34.67 . 1 354 . 40 LYS CG C 26.1 . 1 355 . 40 LYS CD C 29.76 . 1 356 . 40 LYS CE C 42.53 . 1 357 . 40 LYS N N 118.45 . 1 358 . 41 VAL H H 6.9 . 1 359 . 41 VAL HA H 4.91 . 1 360 . 41 VAL HB H 2.43 . 1 361 . 41 VAL HG1 H 0.13 . 1 362 . 41 VAL HG2 H 0.74 . 1 363 . 41 VAL C C 174.72 . 1 364 . 41 VAL CA C 58.58 . 1 365 . 41 VAL CB C 37.02 . 1 366 . 41 VAL CG1 C 16.86 . 1 367 . 41 VAL CG2 C 22.74 . 1 368 . 41 VAL N N 109.04 . 1 369 . 42 ARG H H 9.03 . 1 370 . 42 ARG HA H 4.53 . 1 371 . 42 ARG HB2 H 1.74 . 2 372 . 42 ARG HB3 H 1.58 . 2 373 . 42 ARG HG2 H 1.41 . 2 374 . 42 ARG HD2 H 3.18 . 2 375 . 42 ARG C C 175.08 . 1 376 . 42 ARG CA C 55.06 . 1 377 . 42 ARG CB C 32.1 . 1 378 . 42 ARG CG C 26.83 . 1 379 . 42 ARG CD C 43.12 . 1 380 . 42 ARG N N 116.39 . 1 381 . 43 GLY H H 7.35 . 1 382 . 43 GLY HA2 H 4.31 . 2 383 . 43 GLY HA3 H 3.84 . 2 384 . 43 GLY C C 170.43 . 1 385 . 43 GLY CA C 44.75 . 1 386 . 43 GLY N N 103.24 . 1 387 . 44 VAL H H 8.55 . 1 388 . 44 VAL HA H 4.5 . 1 389 . 44 VAL HB H 1.55 . 1 390 . 44 VAL HG1 H 0.38 . 1 391 . 44 VAL HG2 H 0.38 . 1 392 . 44 VAL C C 175.26 . 1 393 . 44 VAL CA C 61.39 . 1 394 . 44 VAL CB C 35.38 . 1 395 . 44 VAL CG1 C 22.72 . 2 396 . 44 VAL CG2 C 21.44 . 2 397 . 44 VAL N N 120.46 . 1 398 . 45 SER H H 9.43 . 1 399 . 45 SER HA H 4.94 . 1 400 . 45 SER HB2 H 3.76 . 2 401 . 45 SER HB3 H 3.65 . 2 402 . 45 SER C C 173.11 . 1 403 . 45 SER CA C 56.7 . 1 404 . 45 SER CB C 63.27 . 1 405 . 45 SER N N 124.0 . 1 406 . 46 VAL H H 9.02 . 1 407 . 46 VAL HA H 5.1 . 1 408 . 46 VAL HB H 1.39 . 1 409 . 46 VAL HG1 H 0.32 . 2 410 . 46 VAL HG2 H 0.57 . 2 411 . 46 VAL C C 172.4 . 1 412 . 46 VAL CA C 58.34 . 1 413 . 46 VAL CB C 35.14 . 1 414 . 46 VAL CG1 C 20.73 . 2 415 . 46 VAL CG2 C 19.33 . 2 416 . 46 VAL N N 127.22 . 1 417 . 47 SER H H 8.09 . 1 418 . 47 SER HA H 4.64 . 1 419 . 47 SER HB2 H 3.63 . 2 420 . 47 SER C C 172.93 . 1 421 . 47 SER CA C 55.53 . 1 422 . 47 SER CB C 65.14 . 1 423 . 47 SER N N 120.39 . 1 424 . 48 GLY H H 7.22 . 1 425 . 48 GLY HA2 H 4.58 . 2 426 . 48 GLY HA3 H 3.44 . 2 427 . 48 GLY C C 171.33 . 1 428 . 48 GLY CA C 45.22 . 1 429 . 48 GLY N N 110.46 . 1 430 . 49 VAL H H 7.98 . 1 431 . 49 VAL HA H 4.85 . 1 432 . 49 VAL HB H 1.72 . 1 433 . 49 VAL HG1 H 0.43 . 1 434 . 49 VAL HG2 H 0.7 . 1 435 . 49 VAL C C 174.18 . 1 436 . 49 VAL CA C 60.69 . 1 437 . 49 VAL CB C 36.08 . 1 438 . 49 VAL CG1 C 20.15 . 1 439 . 49 VAL CG2 C 21.08 . 1 440 . 49 VAL N N 118.84 . 1 441 . 50 PHE H H 9.06 . 1 442 . 50 PHE HA H 4.55 . 1 443 . 50 PHE HB2 H 2.92 . 2 444 . 50 PHE HB3 H 1.93 . 2 445 . 50 PHE HD1 H 7.12 . 3 446 . 50 PHE HE1 H 7.01 . 3 447 . 50 PHE HZ H 6.79 . 1 448 . 50 PHE C C 174.18 . 1 449 . 50 PHE CA C 57.64 . 1 450 . 50 PHE CB C 41.47 . 1 451 . 50 PHE CE1 C 131.16 . 3 452 . 50 PHE CZ C 129.59 . 1 453 . 50 PHE N N 123.35 . 1 454 . 51 TYR H H 8.66 . 1 455 . 51 TYR HA H 4.8 . 1 456 . 51 TYR HB2 H 3.0 . 2 457 . 51 TYR HB3 H 3.13 . 2 458 . 51 TYR HD1 H 7.05 . 3 459 . 51 TYR HE1 H 6.63 . 3 460 . 51 TYR C C 175.79 . 1 461 . 51 TYR CA C 56.0 . 1 462 . 51 TYR CB C 37.49 . 1 463 . 51 TYR CD1 C 134.15 . 3 464 . 51 TYR CE1 C 118.0 . 3 465 . 51 TYR N N 120.52 . 1 466 . 52 TYR H H 8.96 . 1 467 . 52 TYR HA H 5.05 . 1 468 . 52 TYR HB2 H 3.22 . 2 469 . 52 TYR HB3 H 2.89 . 2 470 . 52 TYR HD1 H 6.92 . 3 471 . 52 TYR HE1 H 6.62 . 3 472 . 52 TYR C C 178.11 . 1 473 . 52 TYR CA C 58.34 . 1 474 . 52 TYR CB C 39.13 . 1 475 . 52 TYR CD1 C 133.4 . 3 476 . 52 TYR CE1 C 118.37 . 3 477 . 52 TYR N N 123.09 . 1 478 . 53 ASN H H 8.54 . 1 479 . 53 ASN HA H 4.69 . 1 480 . 53 ASN HB2 H 2.75 . 2 481 . 53 ASN HB3 H 2.94 . 2 482 . 53 ASN C C 174.18 . 1 483 . 53 ASN CA C 55.77 . 1 484 . 53 ASN CB C 37.95 . 1 485 . 53 ASN N N 118.45 . 1 486 . 54 ASP H H 7.52 . 1 487 . 54 ASP HA H 4.75 . 1 488 . 54 ASP HB2 H 3.19 . 2 489 . 54 ASP HB3 H 2.51 . 2 490 . 54 ASP C C 176.68 . 1 491 . 54 ASP CA C 53.19 . 1 492 . 54 ASP CB C 40.53 . 1 493 . 54 ASP N N 117.42 . 1 494 . 55 GLY H H 8.1 . 1 495 . 55 GLY HA2 H 4.36 . 2 496 . 55 GLY HA3 H 3.98 . 2 497 . 55 GLY C C 174.72 . 1 498 . 55 GLY CA C 45.92 . 1 499 . 55 GLY N N 107.75 . 1 500 . 56 THR H H 7.83 . 1 501 . 56 THR HA H 4.83 . 1 502 . 56 THR HB H 4.53 . 1 503 . 56 THR HG2 H 1.12 . 1 504 . 56 THR C C 174.36 . 1 505 . 56 THR CA C 60.92 . 1 506 . 56 THR CB C 71.94 . 1 507 . 56 THR CG2 C 21.55 . 1 508 . 56 THR N N 112.14 . 1 509 . 57 THR H H 8.47 . 1 510 . 57 THR HA H 5.92 . 1 511 . 57 THR HB H 4.01 . 1 512 . 57 THR HG2 H 0.93 . 1 513 . 57 THR C C 175.08 . 1 514 . 57 THR CA C 59.52 . 1 515 . 57 THR CB C 73.34 . 1 516 . 57 THR CG2 C 22.14 . 1 517 . 57 THR N N 110.07 . 1 518 . 58 SER H H 8.94 . 1 519 . 58 SER HA H 4.94 . 1 520 . 58 SER HB2 H 4.54 . 2 521 . 58 SER HB3 H 4.26 . 2 522 . 58 SER C C 171.5 . 1 523 . 58 SER CA C 58.81 . 1 524 . 58 SER CB C 66.08 . 1 525 . 58 SER N N 115.49 . 1 526 . 59 ASN H H 9.0 . 1 527 . 59 ASN HA H 5.92 . 1 528 . 59 ASN HB2 H 2.97 . 2 529 . 59 ASN HB3 H 2.81 . 2 530 . 59 ASN C C 174.54 . 1 531 . 59 ASN CA C 52.49 . 1 532 . 59 ASN CB C 42.64 . 1 533 . 59 ASN N N 118.58 . 1 534 . 60 PHE H H 8.21 . 1 535 . 60 PHE HA H 5.05 . 1 536 . 60 PHE HB2 H 3.44 . 2 537 . 60 PHE HB3 H 3.14 . 2 538 . 60 PHE C C 173.11 . 1 539 . 60 PHE CA C 57.17 . 1 540 . 60 PHE CB C 41.47 . 1 541 . 60 PHE N N 116.65 . 1 542 . 61 LYS H H 8.51 . 1 543 . 61 LYS HA H 5.26 . 1 544 . 61 LYS HB2 H 1.87 . 2 545 . 61 LYS HB3 H 1.77 . 2 546 . 61 LYS HG2 H 1.25 . 2 547 . 61 LYS HD2 H 1.55 . 2 548 . 61 LYS HE2 H 2.9 . 2 549 . 61 LYS C C 175.26 . 1 550 . 61 LYS CA C 55.77 . 1 551 . 61 LYS CB C 35.15 . 1 552 . 61 LYS CG C 23.66 . 1 553 . 61 LYS CD C 29.52 . 1 554 . 61 LYS CE C 41.95 . 1 555 . 61 LYS N N 119.36 . 1 556 . 62 GLY H H 8.68 . 1 557 . 62 GLY HA2 H 4.2 . 2 558 . 62 GLY HA3 H 4.31 . 2 559 . 62 GLY C C 170.43 . 1 560 . 62 GLY CA C 45.92 . 1 561 . 62 GLY N N 109.94 . 1 562 . 63 VAL H H 8.32 . 1 563 . 63 VAL HA H 4.5 . 1 564 . 63 VAL HB H 1.96 . 1 565 . 63 VAL HG1 H 0.6 . 1 566 . 63 VAL HG2 H 0.87 . 1 567 . 63 VAL C C 174.36 . 1 568 . 63 VAL CA C 62.09 . 1 569 . 63 VAL CB C 32.8 . 1 570 . 63 VAL CG1 C 20.73 . 1 571 . 63 VAL CG2 C 21.55 . 1 572 . 63 VAL N N 120.64 . 1 573 . 64 VAL H H 9.58 . 1 574 . 64 VAL HA H 4.47 . 1 575 . 64 VAL HB H 2.1 . 1 576 . 64 VAL HG1 H 0.9 . 2 577 . 64 VAL HG2 H 1.06 . 2 578 . 64 VAL C C 176.15 . 1 579 . 64 VAL CA C 61.39 . 1 580 . 64 VAL CB C 32.1 . 1 581 . 64 VAL CG1 C 22.84 . 2 582 . 64 VAL CG2 C 23.12 . 2 583 . 64 VAL N N 129.93 . 1 584 . 65 THR H H 8.09 . 1 585 . 65 THR HA H 4.58 . 1 586 . 65 THR HB H 4.45 . 1 587 . 65 THR HG2 H 1.31 . 1 588 . 65 THR CA C 59.28 . 1 589 . 65 THR CB C 69.36 . 1 590 . 65 THR CG2 C 21.63 . 1 591 . 65 THR N N 117.55 . 1 592 . 66 PRO HA H 4.31 . 1 593 . 66 PRO HB2 H 2.48 . 2 594 . 66 PRO HG2 H 2.01 . 2 595 . 66 PRO HG3 H 1.55 . 2 596 . 66 PRO HD2 H 3.7 . 2 597 . 66 PRO HD3 H 2.48 . 2 598 . 66 PRO C C 175.97 . 1 599 . 66 PRO CA C 66.21 . 1 600 . 66 PRO CB C 31.5 . 1 601 . 66 PRO CG C 27.76 . 1 602 . 66 PRO CD C 49.45 . 1 603 . 66 PRO N N 135.4 . 1 604 . 67 SER H H 7.63 . 1 605 . 67 SER HA H 4.66 . 1 606 . 67 SER HB2 H 3.97 . 2 607 . 67 SER HB3 H 3.82 . 2 608 . 67 SER C C 174.36 . 1 609 . 67 SER CA C 58.34 . 1 610 . 67 SER CB C 64.44 . 1 611 . 67 SER N N 107.75 . 1 612 . 68 THR H H 7.67 . 1 613 . 68 THR HA H 4.94 . 1 614 . 68 THR HB H 4.39 . 1 615 . 68 THR HG2 H 1.12 . 1 616 . 68 THR CA C 56.94 . 1 617 . 68 THR CB C 71.7 . 1 618 . 68 THR CG2 C 20.12 . 1 619 . 68 THR N N 115.49 . 1 620 . 69 PRO HA H 5.05 . 1 621 . 69 PRO HB2 H 2.34 . 2 622 . 69 PRO HB3 H 1.75 . 2 623 . 69 PRO HG2 H 1.93 . 2 624 . 69 PRO HD2 H 3.84 . 2 625 . 69 PRO HD3 H 3.65 . 2 626 . 69 PRO C C 176.51 . 1 627 . 69 PRO CA C 62.1 . 1 628 . 69 PRO CB C 33.5 . 1 629 . 69 PRO CG C 26.71 . 1 630 . 69 PRO CD C 50.5 . 1 631 . 69 PRO N N 138.14 . 1 632 . 70 VAL H H 8.66 . 1 633 . 70 VAL HA H 4.42 . 1 634 . 70 VAL HB H 1.66 . 1 635 . 70 VAL HG1 H 0.9 . 1 636 . 70 VAL HG2 H 0.88 . 1 637 . 70 VAL C C 174.9 . 1 638 . 70 VAL CA C 61.16 . 1 639 . 70 VAL CB C 35.85 . 1 640 . 70 VAL CG1 C 20.26 . 1 641 . 70 VAL CG2 C 23.66 . 1 642 . 70 VAL N N 120.52 . 1 643 . 71 ASN H H 8.96 . 1 644 . 71 ASN HA H 5.02 . 1 645 . 71 ASN HB2 H 2.94 . 2 646 . 71 ASN HB3 H 2.73 . 2 647 . 71 ASN C C 175.08 . 1 648 . 71 ASN CA C 52.95 . 1 649 . 71 ASN CB C 38.66 . 1 650 . 71 ASN N N 128.12 . 1 651 . 72 THR H H 8.25 . 1 652 . 72 THR HA H 2.92 . 1 653 . 72 THR HB H 3.85 . 1 654 . 72 THR HG2 H 0.55 . 1 655 . 72 THR C C 174.36 . 1 656 . 72 THR CA C 61.16 . 1 657 . 72 THR CB C 68.66 . 1 658 . 72 THR CG2 C 21.2 . 1 659 . 72 THR N N 113.3 . 1 660 . 73 ASN H H 8.81 . 1 661 . 73 ASN HA H 4.15 . 1 662 . 73 ASN HB2 H 3.05 . 2 663 . 73 ASN HB3 H 2.97 . 2 664 . 73 ASN C C 173.83 . 1 665 . 73 ASN CA C 53.66 . 1 666 . 73 ASN CB C 37.25 . 1 667 . 73 ASN N N 114.46 . 1 668 . 74 GLN H H 7.18 . 1 669 . 74 GLN HA H 2.73 . 1 670 . 74 GLN HB2 H 1.21 . 2 671 . 74 GLN HG2 H 1.21 . 2 672 . 74 GLN HG3 H 0.88 . 2 673 . 74 GLN C C 174.72 . 1 674 . 74 GLN CA C 56.94 . 1 675 . 74 GLN CB C 27.64 . 1 676 . 74 GLN CG C 31.78 . 1 677 . 74 GLN N N 118.32 . 1 678 . 75 ASP H H 7.68 . 1 679 . 75 ASP HA H 4.45 . 1 680 . 75 ASP HB2 H 2.48 . 2 681 . 75 ASP HB3 H 2.37 . 2 682 . 75 ASP C C 177.4 . 1 683 . 75 ASP CA C 52.95 . 1 684 . 75 ASP CB C 40.3 . 1 685 . 75 ASP N N 125.16 . 1 686 . 76 ILE H H 8.69 . 1 687 . 76 ILE HA H 3.49 . 1 688 . 76 ILE HB H 1.88 . 1 689 . 76 ILE HG12 H 1.37 . 2 690 . 76 ILE HG2 H 0.81 . 1 691 . 76 ILE HD1 H 0.43 . 1 692 . 76 ILE C C 177.04 . 1 693 . 76 ILE CA C 62.33 . 1 694 . 76 ILE CB C 36.08 . 1 695 . 76 ILE CG1 C 26.85 . 1 696 . 76 ILE CG2 C 17.1 . 1 697 . 76 ILE CD1 C 8.91 . 1 698 . 76 ILE N N 133.79 . 1 699 . 77 ASN H H 8.02 . 1 700 . 77 ASN HA H 4.39 . 1 701 . 77 ASN HB2 H 2.84 . 2 702 . 77 ASN HB3 H 2.78 . 2 703 . 77 ASN C C 177.76 . 1 704 . 77 ASN CA C 56.47 . 1 705 . 77 ASN CB C 37.95 . 1 706 . 77 ASN N N 120.9 . 1 707 . 78 LYS H H 8.24 . 1 708 . 78 LYS HA H 3.82 . 1 709 . 78 LYS HB2 H 1.12 . 2 710 . 78 LYS HB3 H 0.88 . 2 711 . 78 LYS HG2 H 1.09 . 2 712 . 78 LYS HG3 H 0.88 . 2 713 . 78 LYS HD2 H 1.27 . 2 714 . 78 LYS HD3 H 0.47 . 2 715 . 78 LYS HE2 H 2.62 . 2 716 . 78 LYS C C 179.36 . 1 717 . 78 LYS CA C 59.52 . 1 718 . 78 LYS CB C 32.1 . 1 719 . 78 LYS CG C 25.07 . 1 720 . 78 LYS CD C 28.94 . 1 721 . 78 LYS CE C 40.54 . 1 722 . 78 LYS N N 121.29 . 1 723 . 79 THR H H 8.25 . 1 724 . 79 THR HA H 3.44 . 1 725 . 79 THR HB H 4.4 . 1 726 . 79 THR HG2 H 1.12 . 1 727 . 79 THR C C 174.9 . 1 728 . 79 THR CA C 68.42 . 1 729 . 79 THR CB C 68.5 . 1 730 . 79 THR CG2 C 19.75 . 1 731 . 79 THR N N 118.07 . 1 732 . 80 ASN H H 8.04 . 1 733 . 80 ASN HA H 4.45 . 1 734 . 80 ASN HB2 H 2.87 . 2 735 . 80 ASN HB3 H 2.8 . 2 736 . 80 ASN C C 175.97 . 1 737 . 80 ASN CA C 55.06 . 1 738 . 80 ASN CB C 38.19 . 1 739 . 80 ASN N N 118.71 . 1 740 . 81 LYS H H 7.97 . 1 741 . 81 LYS HA H 4.25 . 1 742 . 81 LYS HB2 H 1.85 . 2 743 . 81 LYS HG2 H 1.51 . 2 744 . 81 LYS HG3 H 1.44 . 2 745 . 81 LYS HD2 H 1.58 . 2 746 . 81 LYS HE2 H 2.9 . 2 747 . 81 LYS C C 177.4 . 1 748 . 81 LYS CA C 58.81 . 1 749 . 81 LYS CB C 34.03 . 1 750 . 81 LYS CG C 24.95 . 1 751 . 81 LYS CD C 28.82 . 1 752 . 81 LYS CE C 41.83 . 1 753 . 81 LYS N N 119.61 . 1 754 . 82 VAL H H 8.32 . 1 755 . 82 VAL HA H 4.61 . 1 756 . 82 VAL HB H 2.29 . 1 757 . 82 VAL HG1 H 1.02 . 1 758 . 82 VAL HG2 H 1.02 . 1 759 . 82 VAL C C 176.86 . 1 760 . 82 VAL CA C 61.39 . 1 761 . 82 VAL CB C 34 . 1 762 . 82 VAL CG1 C 19.56 . 1 763 . 82 VAL CG2 C 21.9 . 1 764 . 82 VAL N N 111.75 . 1 765 . 83 GLY H H 7.98 . 1 766 . 83 GLY HA2 H 4.47 . 2 767 . 83 GLY C C 172.93 . 1 768 . 83 GLY CA C 44.75 . 1 769 . 83 GLY N N 111.88 . 1 770 . 84 VAL H H 8.84 . 1 771 . 84 VAL HA H 4.09 . 1 772 . 84 VAL HB H 2.02 . 1 773 . 84 VAL HG1 H 0.9 . 1 774 . 84 VAL HG2 H 1.01 . 1 775 . 84 VAL C C 175.43 . 1 776 . 84 VAL CA C 62.8 . 1 777 . 84 VAL CB C 33.74 . 1 778 . 84 VAL CG1 C 21.67 . 1 779 . 84 VAL CG2 C 22.84 . 1 780 . 84 VAL N N 121.8 . 1 781 . 85 GLN H H 9.54 . 1 782 . 85 GLN HA H 4.17 . 1 783 . 85 GLN HB2 H 1.96 . 2 784 . 85 GLN HG2 H 2.5 . 2 785 . 85 GLN HG3 H 2.0 . 2 786 . 85 GLN C C 176.15 . 1 787 . 85 GLN CA C 58.11 . 1 788 . 85 GLN CB C 30.45 . 1 789 . 85 GLN CG C 34.21 . 1 790 . 85 GLN N N 131.6 . 1 791 . 86 LYS H H 7.94 . 1 792 . 86 LYS HA H 4.58 . 1 793 . 86 LYS HB2 H 1.77 . 2 794 . 86 LYS HG2 H 1.07 . 2 795 . 86 LYS HD2 H 1.28 . 2 796 . 86 LYS HE2 H 2.25 . 2 797 . 86 LYS C C 172.22 . 1 798 . 86 LYS CA C 55.3 . 1 799 . 86 LYS CB C 34.91 . 1 800 . 86 LYS CG C 23.9 . 1 801 . 86 LYS CD C 29.17 . 1 802 . 86 LYS CE C 41.24 . 1 803 . 86 LYS N N 115.36 . 1 804 . 87 TYR H H 8.42 . 1 805 . 87 TYR HA H 5.35 . 1 806 . 87 TYR HB2 H 2.81 . 2 807 . 87 TYR HB3 H 2.59 . 2 808 . 87 TYR HD1 H 6.43 . 3 809 . 87 TYR HE1 H 6.29 . 3 810 . 87 TYR C C 174.18 . 1 811 . 87 TYR CA C 55.77 . 1 812 . 87 TYR CB C 41.7 . 1 813 . 87 TYR CD1 C 133.03 . 3 814 . 87 TYR CE1 C 117.63 . 3 815 . 87 TYR N N 122.97 . 1 816 . 88 ARG H H 7.97 . 1 817 . 88 ARG HA H 4.34 . 1 818 . 88 ARG HB2 H 1.61 . 2 819 . 88 ARG HG2 H 1.61 . 2 820 . 88 ARG HG3 H 1.33 . 2 821 . 88 ARG HD2 H 3.18 . 2 822 . 88 ARG HD3 H 3.12 . 2 823 . 88 ARG C C 172.93 . 1 824 . 88 ARG CA C 54.13 . 1 825 . 88 ARG CB C 33.5 . 1 826 . 88 ARG CG C 26.47 . 1 827 . 88 ARG CD C 43.0 . 1 828 . 88 ARG N N 127.35 . 1 829 . 89 ALA H H 8.3 . 1 830 . 89 ALA HA H 4.96 . 1 831 . 89 ALA HB H 1.09 . 1 832 . 89 ALA C C 175.79 . 1 833 . 89 ALA CA C 50.84 . 1 834 . 89 ALA CB C 21.08 . 1 835 . 89 ALA N N 126.7 . 1 836 . 90 LEU H H 8.81 . 1 837 . 90 LEU HA H 4.64 . 1 838 . 90 LEU HB2 H 1.44 . 2 839 . 90 LEU HG H 1.37 . 1 840 . 90 LEU HD1 H 0.76 . 2 841 . 90 LEU C C 176.51 . 1 842 . 90 LEU CA C 54.13 . 1 843 . 90 LEU CB C 44.28 . 1 844 . 90 LEU CG C 26.94 . 1 845 . 90 LEU CD1 C 24.23 . 2 846 . 90 LEU N N 124.64 . 1 847 . 91 THR H H 8.31 . 1 848 . 91 THR HA H 5.4 . 1 849 . 91 THR HB H 3.41 . 1 850 . 91 THR HG2 H 0.76 . 1 851 . 91 THR C C 174.01 . 1 852 . 91 THR CA C 58.58 . 1 853 . 91 THR CB C 71.86 . 1 854 . 91 THR CG2 C 22.61 . 1 855 . 91 THR N N 114.71 . 1 856 . 92 GLU H H 8.35 . 1 857 . 92 GLU HA H 4.64 . 1 858 . 92 GLU HB2 H 2.07 . 2 859 . 92 GLU HB3 H 1.91 . 2 860 . 92 GLU HG2 H 2.21 . 2 861 . 92 GLU C C 175.26 . 1 862 . 92 GLU CA C 54.83 . 1 863 . 92 GLU CB C 34.2 . 1 864 . 92 GLU CG C 35.73 . 1 865 . 92 GLU N N 118.71 . 1 866 . 93 TRP H H 9.18 . 1 867 . 93 TRP HA H 4.94 . 1 868 . 93 TRP HB2 H 3.27 . 2 869 . 93 TRP HD1 H 7.5 . 1 870 . 93 TRP HE1 H 10.6 . 1 871 . 93 TRP HE3 H 7.87 . 1 872 . 93 TRP HZ2 H 7.44 . 1 873 . 93 TRP HZ3 H 7.34 . 1 874 . 93 TRP HH2 H 7.67 . 1 875 . 93 TRP C C 177.04 . 1 876 . 93 TRP CA C 58.81 . 1 877 . 93 TRP CB C 31.16 . 1 878 . 93 TRP CD1 C 128.84 . 1 879 . 93 TRP CE3 C 121.74 . 1 880 . 93 TRP CZ2 C 113.61 . 1 881 . 93 TRP CZ3 C 123.61 . 1 882 . 93 TRP CH2 C 125.48 . 1 883 . 93 TRP N N 124.0 . 1 884 . 93 TRP NE1 N 130.83 . 1 885 . 94 VAL H H 8.53 . 1 886 . 94 VAL HA H 4.39 . 1 887 . 94 VAL HB H 1.82 . 1 888 . 94 VAL HG1 H 0.61 . 2 889 . 94 VAL HG2 H 0.95 . 2 890 . 94 VAL C C 176.15 . 1 891 . 94 VAL CA C 61.63 . 1 892 . 94 VAL CB C 32.53 . 1 893 . 94 VAL CG1 C 21.24 . 2 894 . 94 VAL CG2 C 21.44 . 2 895 . 94 VAL N N 121.42 . 1 896 . 95 GLY H H 8.95 . 1 897 . 95 GLY HA2 H 4.28 . 2 898 . 95 GLY HA3 H 4.07 . 2 899 . 95 GLY C C 173.29 . 1 900 . 95 GLY CA C 45.45 . 1 901 . 95 GLY N N 115.62 . 1 902 . 96 SER H H 7.97 . 1 903 . 96 SER HA H 4.36 . 1 904 . 96 SER HB2 H 3.76 . 2 905 . 96 SER C C 174.54 . 1 906 . 96 SER CA C 58.34 . 1 907 . 96 SER CB C 63.74 . 1 908 . 96 SER N N 116.26 . 1 909 . 97 ARG H H 8.54 . 1 910 . 97 ARG HA H 4.39 . 1 911 . 97 ARG C C 176.15 . 1 912 . 97 ARG CA C 56 . 1 913 . 97 ARG CB C 30.69 . 1 914 . 97 ARG CG C 26.47 . 1 915 . 97 ARG CD C 43.12 . 1 916 . 97 ARG N N 123.09 . 1 917 . 98 SER H H 8.31 . 1 918 . 98 SER HA H 4.36 . 1 919 . 98 SER HB2 H 3.79 . 2 920 . 98 SER HB3 H 1.25 . 2 921 . 98 SER CA C 58.34 . 1 922 . 98 SER CB C 63.74 . 1 923 . 98 SER N N 117.42 . 1 stop_ save_