data_7181 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Hypothetical protein PA4359: Northeast Structural Genomics Target PaT89 ; _BMRB_accession_number 7181 _BMRB_flat_file_name bmr7181.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 Zhang Q. . . 2 Liu G. . . 3 Yee A. . . 4 Arrowsmith C. . . 5 Szyperski T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 250 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-08 original author . stop_ _Original_release_date 2006-11-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Hypothetical protein PA4359: Northest Structural Genomics Target PaT89' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Q. . . 2 Liu G. . . 3 Yee A. . . 4 Arrowsmith C. . . 5 Szyperski T. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'GFT NMR' NESG 'Northeast Structural Genomics Consortium' PaT89 'Protein Structure Initiative' PSI-2 'Structural Genomics' 'STRUCTURAL GENOMICS' stop_ save_ ################################## # Molecular system description # ################################## save_system_PA4359 _Saveframe_category molecular_system _Mol_system_name 'Hypothetical protein PA4359' _Abbreviation_common 'Hypothetical protein PA4359' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical protein PA4359' $PA4359 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PA4359 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hypothetical protein PA4359' _Abbreviation_common 'Hypothetical protein PA4359' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; MSALQPSRSYRITGYSPAIS NGYRQRLFSMGLLPGAALRV VRIAPLGDPIQVETRQTSLA LRRKDLALLTLVPLD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ALA 4 LEU 5 GLN 6 PRO 7 SER 8 ARG 9 SER 10 TYR 11 ARG 12 ILE 13 THR 14 GLY 15 TYR 16 SER 17 PRO 18 ALA 19 ILE 20 SER 21 ASN 22 GLY 23 TYR 24 ARG 25 GLN 26 ARG 27 LEU 28 PHE 29 SER 30 MET 31 GLY 32 LEU 33 LEU 34 PRO 35 GLY 36 ALA 37 ALA 38 LEU 39 ARG 40 VAL 41 VAL 42 ARG 43 ILE 44 ALA 45 PRO 46 LEU 47 GLY 48 ASP 49 PRO 50 ILE 51 GLN 52 VAL 53 GLU 54 THR 55 ARG 56 GLN 57 THR 58 SER 59 LEU 60 ALA 61 LEU 62 ARG 63 ARG 64 LYS 65 ASP 66 LEU 67 ALA 68 LEU 69 LEU 70 THR 71 LEU 72 VAL 73 PRO 74 LEU 75 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2H3J "Solution Nmr Structure Of Protein Pa4359 From Pseudomonas Aeruginosa: Northeast Structural Genomics Consortium Target Pat89" 100.00 75 100.00 100.00 2.15e-43 DBJ BAK88116 "ferrous iron transport protein A [Pseudomonas aeruginosa NCGM2.S1]" 100.00 75 98.67 100.00 3.08e-43 DBJ BAP21294 "ferrous iron transport protein A [Pseudomonas aeruginosa]" 100.00 75 98.67 100.00 3.08e-43 DBJ BAP52855 "ferrous iron transport protein A [Pseudomonas aeruginosa]" 100.00 75 98.67 100.00 3.08e-43 DBJ GAA21207 "putative iron transport protein [Pseudomonas aeruginosa NCMG1179]" 100.00 75 100.00 100.00 2.15e-43 DBJ GAJ55663 "ferrous iron transport protein A [Pseudomonas aeruginosa RB]" 100.00 75 100.00 100.00 2.15e-43 EMBL CAW29491 "putative iron transport protein [Pseudomonas aeruginosa LESB58]" 100.00 75 100.00 100.00 2.15e-43 EMBL CCQ87292 "Ferrous iron transport protein A [Pseudomonas aeruginosa 18A]" 100.00 75 100.00 100.00 2.15e-43 EMBL CCQ87507 "Ferrous iron transport protein A [Pseudomonas aeruginosa 18A]" 100.00 75 100.00 100.00 2.15e-43 EMBL CDH72943 "hypothetical protein P38_4740 [Pseudomonas aeruginosa MH38]" 100.00 120 100.00 100.00 3.63e-43 EMBL CDH79240 "hypothetical protein PAMH27_4868 [Pseudomonas aeruginosa MH27]" 100.00 75 98.67 100.00 3.08e-43 GB AAG07747 "conserved hypothetical protein [Pseudomonas aeruginosa PAO1]" 100.00 75 100.00 100.00 2.15e-43 GB AAT50626 "PA4359, partial [synthetic construct]" 100.00 76 100.00 100.00 2.23e-43 GB ABJ13629 "putative iron transport protein [Pseudomonas aeruginosa UCBPP-PA14]" 100.00 75 100.00 100.00 2.15e-43 GB ABR85041 "conserved hypothetical protein [Pseudomonas aeruginosa PA7]" 100.00 75 97.33 98.67 2.80e-42 GB AEO76930 "ferrous iron transport protein A [Pseudomonas aeruginosa M18]" 100.00 75 100.00 100.00 2.15e-43 REF NP_253049 "ferrous iron transporter A [Pseudomonas aeruginosa PAO1]" 100.00 75 100.00 100.00 2.15e-43 REF WP_003093986 "iron transporter [Pseudomonas aeruginosa]" 100.00 75 98.67 100.00 3.08e-43 REF WP_003103819 "MULTISPECIES: iron transporter [Pseudomonas]" 100.00 75 100.00 100.00 2.15e-43 REF WP_003157276 "iron transporter [Pseudomonas aeruginosa]" 100.00 75 97.33 98.67 2.80e-42 REF WP_015503515 "ferrous iron transport protein A [Pseudomonas aeruginosa]" 100.00 75 98.67 100.00 6.11e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PA4359 'Pseudomonas aeruginosa' 287 Eubacteria . Pseudomonas aeruginosa 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 $PA4359 'recombinant technology' 'E. coli' Escherichia coli . . 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 $PA4359 0.7 mM '[U-13C; U-15N]' tris 10 mM . NaCl 300 mM . glycerol 5 % . NaN3 0.01 % . benzamidiine 1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Peter Gntert' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details 'F. Delaglio' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task 'structure solution' stop_ _Details 'Peter Gntert' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details A.T.Brunger save_ save_Xeasy _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Task 'data analysis' stop_ _Details 'Christian Bartels and Tai-he Xia' save_ save_Autostructure _Saveframe_category software _Name AutoStruct _Version 2.0.0 loop_ _Task 'data analysis' stop_ _Details 'Huang, Y. J.' save_ save_UBNMR _Saveframe_category software _Name UBNMR _Version 1.0 loop_ _Task 'data analysis' stop_ _Details 'Yang Shen' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_GFT_(4,3)D_HNNCABCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCABCA' _Sample_label $sample_1 save_ save_GFT_(4,3)D_CABCA(CO)NHN_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CABCA(CO)NHN' _Sample_label $sample_1 save_ save_GFT_(4,3)D_HABCAB(CO)NHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HABCAB(CO)NHN' _Sample_label $sample_1 save_ save_GFT_(4,3)D_HCCH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HCCH' _Sample_label $sample_1 save_ save_SIMULTANEOUS_HETERONUCLEAR_RESOLVED_[1H,1H]-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _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 7.0 . pH 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hypothetical protein PA4359' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER CA C 58.6 . 1 2 . 2 SER HA H 4.35 . 1 3 . 2 SER CB C 63.4 . 1 4 . 2 SER HB2 H 3.82 . 2 5 . 2 SER HB3 H 3.88 . 2 6 . 3 ALA N N 124.7 . 1 7 . 3 ALA H H 8.10 . 1 8 . 3 ALA CA C 52.0 . 1 9 . 3 ALA HA H 4.34 . 1 10 . 3 ALA HB H 1.36 . 1 11 . 3 ALA CB C 19.3 . 1 12 . 4 LEU N N 121.0 . 1 13 . 4 LEU H H 7.90 . 1 14 . 4 LEU CA C 54.6 . 1 15 . 4 LEU HA H 4.20 . 1 16 . 4 LEU CB C 42.5 . 1 17 . 4 LEU HB2 H 1.13 . 2 18 . 4 LEU HB3 H 1.50 . 2 19 . 4 LEU CG C 26.4 . 1 20 . 4 LEU HG H 1.40 . 1 21 . 4 LEU HD1 H 0.50 . 2 22 . 4 LEU HD2 H 0.18 . 2 23 . 4 LEU CD1 C 25.5 . 1 24 . 4 LEU CD2 C 22.4 . 1 25 . 6 PRO CD C 50.3 . 1 26 . 6 PRO CA C 62.6 . 1 27 . 6 PRO HA H 4.09 . 1 28 . 6 PRO CB C 32.0 . 1 29 . 6 PRO HB2 H 2.00 . 2 30 . 6 PRO HB3 H 2.11 . 2 31 . 6 PRO CG C 27.8 . 1 32 . 6 PRO HG2 H 1.84 . 2 33 . 6 PRO HG3 H 2.17 . 2 34 . 6 PRO HD2 H 3.70 . 1 35 . 6 PRO HD3 H 3.70 . 1 36 . 7 SER N N 114.0 . 1 37 . 7 SER H H 8.82 . 1 38 . 7 SER CA C 60.4 . 1 39 . 7 SER HA H 4.02 . 1 40 . 7 SER CB C 62.5 . 1 41 . 7 SER HB2 H 4.12 . 2 42 . 7 SER HB3 H 4.07 . 2 43 . 8 ARG N N 120.2 . 1 44 . 8 ARG H H 7.63 . 1 45 . 8 ARG CA C 55.0 . 1 46 . 8 ARG HA H 4.51 . 1 47 . 8 ARG CB C 32.0 . 1 48 . 8 ARG HB2 H 1.96 . 2 49 . 8 ARG HB3 H 1.81 . 2 50 . 8 ARG CG C 27.3 . 1 51 . 8 ARG HG2 H 1.57 . 2 52 . 8 ARG HG3 H 1.43 . 2 53 . 8 ARG CD C 42.8 . 1 54 . 8 ARG HD2 H 3.09 . 2 55 . 8 ARG HD3 H 3.13 . 2 56 . 9 SER N N 116.4 . 1 57 . 9 SER H H 8.42 . 1 58 . 9 SER CA C 57.5 . 1 59 . 9 SER HA H 5.68 . 1 60 . 9 SER CB C 65.6 . 1 61 . 9 SER HB2 H 3.62 . 1 62 . 9 SER HB3 H 3.62 . 1 63 . 10 TYR N N 120.6 . 1 64 . 10 TYR H H 9.38 . 1 65 . 10 TYR CA C 56.8 . 1 66 . 10 TYR HA H 4.98 . 1 67 . 10 TYR CB C 43.9 . 1 68 . 10 TYR HB2 H 2.79 . 2 69 . 10 TYR HB3 H 2.42 . 2 70 . 10 TYR HD1 H 6.70 . 1 71 . 10 TYR HD2 H 6.70 . 1 72 . 10 TYR HE1 H 6.73 . 1 73 . 10 TYR HE2 H 6.73 . 1 74 . 10 TYR CD1 C 132.0 . 1 75 . 10 TYR CE1 C 117.7 . 1 76 . 11 ARG N N 121.5 . 1 77 . 11 ARG H H 9.47 . 1 78 . 11 ARG CA C 53.8 . 1 79 . 11 ARG HA H 4.96 . 1 80 . 11 ARG CB C 32.7 . 1 81 . 11 ARG HB2 H 1.65 . 2 82 . 11 ARG HB3 H 1.60 . 2 83 . 11 ARG CG C 26.9 . 1 84 . 11 ARG HG2 H 1.37 . 2 85 . 11 ARG HG3 H 1.32 . 2 86 . 11 ARG CD C 43.0 . 1 87 . 11 ARG HD2 H 3.08 . 1 88 . 11 ARG HD3 H 3.08 . 1 89 . 12 ILE N N 125.4 . 1 90 . 12 ILE H H 8.70 . 1 91 . 12 ILE CA C 61.2 . 1 92 . 12 ILE HA H 4.44 . 1 93 . 12 ILE CB C 37.7 . 1 94 . 12 ILE HB H 2.03 . 1 95 . 12 ILE HG2 H 0.57 . 1 96 . 12 ILE CG2 C 17.9 . 1 97 . 12 ILE CG1 C 27.5 . 1 98 . 12 ILE HG12 H 0.76 . 2 99 . 12 ILE HG13 H 1.66 . 2 100 . 12 ILE HD1 H 0.79 . 1 101 . 12 ILE CD1 C 14.6 . 1 102 . 13 THR N N 119.4 . 1 103 . 13 THR H H 9.18 . 1 104 . 13 THR CA C 61.0 . 1 105 . 13 THR HA H 4.59 . 1 106 . 13 THR CB C 68.7 . 1 107 . 13 THR HB H 4.30 . 1 108 . 13 THR HG2 H 1.08 . 1 109 . 13 THR CG2 C 22.8 . 1 110 . 14 GLY N N 109.3 . 1 111 . 14 GLY H H 7.37 . 1 112 . 14 GLY CA C 44.8 . 1 113 . 14 GLY HA2 H 3.44 . 2 114 . 14 GLY HA3 H 4.08 . 2 115 . 15 TYR N N 115.8 . 1 116 . 15 TYR H H 8.30 . 1 117 . 15 TYR CA C 55.2 . 1 118 . 15 TYR HA H 5.38 . 1 119 . 15 TYR CB C 42.2 . 1 120 . 15 TYR HB2 H 3.21 . 2 121 . 15 TYR HB3 H 2.68 . 2 122 . 15 TYR HD1 H 7.09 . 1 123 . 15 TYR HD2 H 7.09 . 1 124 . 15 TYR HE1 H 6.76 . 1 125 . 15 TYR HE2 H 6.76 . 1 126 . 15 TYR CD1 C 132.4 . 1 127 . 15 TYR CE1 C 117.1 . 1 128 . 16 SER N N 116.6 . 1 129 . 16 SER H H 8.54 . 1 130 . 16 SER CA C 55.6 . 1 131 . 16 SER HA H 4.53 . 1 132 . 16 SER CB C 64.0 . 1 133 . 16 SER HB2 H 4.16 . 2 134 . 16 SER HB3 H 3.69 . 2 135 . 17 PRO CD C 50.2 . 1 136 . 17 PRO CA C 64.2 . 1 137 . 17 PRO HA H 4.48 . 1 138 . 17 PRO CB C 31.7 . 1 139 . 17 PRO HB2 H 2.39 . 2 140 . 17 PRO HB3 H 1.98 . 2 141 . 17 PRO CG C 27.1 . 1 142 . 17 PRO HG2 H 2.04 . 1 143 . 17 PRO HG3 H 2.04 . 1 144 . 17 PRO HD2 H 3.83 . 1 145 . 17 PRO HD3 H 3.83 . 1 146 . 18 ALA N N 119.2 . 1 147 . 18 ALA H H 7.92 . 1 148 . 18 ALA CA C 51.7 . 1 149 . 18 ALA HA H 4.33 . 1 150 . 18 ALA HB H 1.29 . 1 151 . 18 ALA CB C 18.8 . 1 152 . 19 ILE N N 119.2 . 1 153 . 19 ILE H H 7.44 . 1 154 . 19 ILE CA C 62.3 . 1 155 . 19 ILE HA H 4.06 . 1 156 . 19 ILE CB C 39.4 . 1 157 . 19 ILE HB H 1.94 . 1 158 . 19 ILE HG2 H 0.88 . 1 159 . 19 ILE CG2 C 16.9 . 1 160 . 19 ILE CG1 C 29.2 . 1 161 . 19 ILE HG12 H 1.67 . 2 162 . 19 ILE HG13 H 1.83 . 2 163 . 19 ILE HD1 H 0.76 . 1 164 . 19 ILE CD1 C 15.4 . 1 165 . 20 SER N N 121.7 . 1 166 . 20 SER H H 8.20 . 1 167 . 20 SER CA C 56.8 . 1 168 . 20 SER HA H 4.60 . 1 169 . 20 SER CB C 65.0 . 1 170 . 20 SER HB2 H 4.05 . 2 171 . 20 SER HB3 H 4.30 . 2 172 . 22 GLY CA C 46.8 . 1 173 . 22 GLY HA2 H 3.76 . 2 174 . 22 GLY HA3 H 3.90 . 2 175 . 23 TYR N N 124.5 . 1 176 . 23 TYR H H 7.88 . 1 177 . 23 TYR CA C 60.6 . 1 178 . 23 TYR HA H 4.23 . 1 179 . 23 TYR CB C 37.9 . 1 180 . 23 TYR HB2 H 2.88 . 2 181 . 23 TYR HB3 H 3.00 . 2 182 . 23 TYR HD1 H 7.08 . 1 183 . 23 TYR HD2 H 7.08 . 1 184 . 23 TYR HE1 H 6.81 . 1 185 . 23 TYR HE2 H 6.81 . 1 186 . 23 TYR CD1 C 131.9 . 1 187 . 23 TYR CE1 C 117.8 . 1 188 . 24 ARG N N 120.0 . 1 189 . 24 ARG H H 8.32 . 1 190 . 24 ARG CA C 60.4 . 1 191 . 24 ARG HA H 3.42 . 1 192 . 24 ARG CB C 29.6 . 1 193 . 24 ARG HB2 H 1.77 . 2 194 . 24 ARG HB3 H 1.52 . 2 195 . 24 ARG CG C 27.0 . 1 196 . 24 ARG HG2 H 0.97 . 2 197 . 24 ARG HG3 H 0.72 . 2 198 . 24 ARG CD C 43.1 . 1 199 . 24 ARG HD2 H 2.94 . 2 200 . 24 ARG HD3 H 2.97 . 2 201 . 25 GLN N N 116.0 . 1 202 . 25 GLN H H 7.84 . 1 203 . 25 GLN CA C 58.5 . 1 204 . 25 GLN HA H 3.93 . 1 205 . 25 GLN CB C 27.7 . 1 206 . 25 GLN HB2 H 2.10 . 2 207 . 25 GLN HB3 H 2.08 . 2 208 . 25 GLN CG C 33.5 . 1 209 . 25 GLN HG2 H 2.39 . 2 210 . 25 GLN HG3 H 2.43 . 2 211 . 25 GLN NE2 N 111.6 . 1 212 . 25 GLN HE21 H 7.36 . 2 213 . 25 GLN HE22 H 6.76 . 2 214 . 26 ARG N N 121.1 . 1 215 . 26 ARG H H 7.57 . 1 216 . 26 ARG CA C 59.2 . 1 217 . 26 ARG HA H 4.01 . 1 218 . 26 ARG CB C 29.3 . 1 219 . 26 ARG HB2 H 1.83 . 2 220 . 26 ARG HB3 H 1.79 . 2 221 . 26 ARG CG C 27.3 . 1 222 . 26 ARG HG2 H 1.65 . 1 223 . 26 ARG HG3 H 1.65 . 1 224 . 26 ARG CD C 43.1 . 1 225 . 26 ARG HD2 H 3.03 . 1 226 . 26 ARG HD3 H 3.03 . 1 227 . 27 LEU N N 119.6 . 1 228 . 27 LEU H H 8.15 . 1 229 . 27 LEU CA C 58.4 . 1 230 . 27 LEU HA H 4.11 . 1 231 . 27 LEU CB C 40.3 . 1 232 . 27 LEU HB2 H 2.01 . 2 233 . 27 LEU HB3 H 1.75 . 2 234 . 27 LEU CG C 26.8 . 1 235 . 27 LEU HG H 1.84 . 1 236 . 27 LEU HD1 H 0.89 . 2 237 . 27 LEU HD2 H 0.86 . 2 238 . 27 LEU CD1 C 26.8 . 1 239 . 27 LEU CD2 C 22.3 . 1 240 . 28 PHE N N 121.4 . 1 241 . 28 PHE H H 8.88 . 1 242 . 28 PHE CA C 60.9 . 1 243 . 28 PHE HA H 3.94 . 1 244 . 28 PHE CB C 38.6 . 1 245 . 28 PHE HB2 H 3.37 . 2 246 . 28 PHE HB3 H 3.22 . 2 247 . 28 PHE HD1 H 7.22 . 1 248 . 28 PHE HD2 H 7.22 . 1 249 . 28 PHE HE1 H 7.34 . 1 250 . 28 PHE HE2 H 7.34 . 1 251 . 28 PHE CD1 C 131.0 . 1 252 . 28 PHE CE1 C 130.8 . 1 253 . 28 PHE CZ C 128.9 . 1 254 . 28 PHE HZ H 7.26 . 1 255 . 29 SER N N 116.5 . 1 256 . 29 SER H H 8.43 . 1 257 . 29 SER CA C 61.5 . 1 258 . 29 SER HA H 4.21 . 1 259 . 29 SER CB C 63.0 . 1 260 . 29 SER HB2 H 4.10 . 2 261 . 29 SER HB3 H 4.06 . 2 262 . 30 MET N N 119.2 . 1 263 . 30 MET H H 7.43 . 1 264 . 30 MET CA C 56.2 . 1 265 . 30 MET HA H 4.36 . 1 266 . 30 MET CB C 34.6 . 1 267 . 30 MET HB2 H 2.30 . 2 268 . 30 MET HB3 H 2.11 . 2 269 . 30 MET CG C 31.9 . 1 270 . 30 MET HG2 H 2.71 . 2 271 . 30 MET HG3 H 2.55 . 2 272 . 30 MET HE H 2.00 . 1 273 . 30 MET CE C 17.0 . 1 274 . 31 GLY N N 104.9 . 1 275 . 31 GLY H H 7.87 . 1 276 . 31 GLY CA C 44.7 . 1 277 . 31 GLY HA2 H 3.41 . 2 278 . 31 GLY HA3 H 4.18 . 2 279 . 32 LEU N N 122.7 . 1 280 . 32 LEU H H 7.85 . 1 281 . 32 LEU CA C 52.9 . 1 282 . 32 LEU HA H 4.28 . 1 283 . 32 LEU CB C 38.4 . 1 284 . 32 LEU HB2 H 1.99 . 2 285 . 32 LEU HB3 H 1.19 . 2 286 . 32 LEU CG C 26.8 . 1 287 . 32 LEU HG H 1.42 . 1 288 . 32 LEU HD1 H 0.79 . 2 289 . 32 LEU HD2 H 0.63 . 2 290 . 32 LEU CD1 C 24.0 . 1 291 . 32 LEU CD2 C 23.6 . 1 292 . 33 LEU N N 122.0 . 1 293 . 33 LEU H H 6.79 . 1 294 . 33 LEU CA C 52.3 . 1 295 . 33 LEU HA H 4.67 . 1 296 . 33 LEU CB C 42.6 . 1 297 . 33 LEU HB2 H 1.41 . 2 298 . 33 LEU HB3 H 1.35 . 2 299 . 33 LEU CG C 26.8 . 1 300 . 33 LEU HG H 1.60 . 1 301 . 33 LEU HD1 H 0.54 . 2 302 . 33 LEU HD2 H 0.83 . 2 303 . 33 LEU CD1 C 25.5 . 1 304 . 33 LEU CD2 C 24.4 . 1 305 . 34 PRO CD C 50.1 . 1 306 . 34 PRO CA C 63.8 . 1 307 . 34 PRO HA H 3.77 . 1 308 . 34 PRO CB C 30.9 . 1 309 . 34 PRO HB2 H 1.83 . 2 310 . 34 PRO HB3 H 1.94 . 2 311 . 34 PRO CG C 28.6 . 1 312 . 34 PRO HG2 H 1.31 . 2 313 . 34 PRO HG3 H 2.21 . 2 314 . 34 PRO HD2 H 3.46 . 2 315 . 34 PRO HD3 H 3.50 . 2 316 . 35 GLY N N 113.9 . 1 317 . 35 GLY H H 9.21 . 1 318 . 35 GLY CA C 44.7 . 1 319 . 35 GLY HA2 H 3.51 . 2 320 . 35 GLY HA3 H 4.40 . 2 321 . 36 ALA N N 124.3 . 1 322 . 36 ALA H H 8.20 . 1 323 . 36 ALA CA C 52.1 . 1 324 . 36 ALA HA H 4.48 . 1 325 . 36 ALA HB H 1.58 . 1 326 . 36 ALA CB C 20.0 . 1 327 . 37 ALA N N 121.6 . 1 328 . 37 ALA H H 8.26 . 1 329 . 37 ALA CA C 50.3 . 1 330 . 37 ALA HA H 5.34 . 1 331 . 37 ALA HB H 1.33 . 1 332 . 37 ALA CB C 21.1 . 1 333 . 38 LEU N N 119.9 . 1 334 . 38 LEU H H 9.39 . 1 335 . 38 LEU CA C 53.4 . 1 336 . 38 LEU HA H 5.01 . 1 337 . 38 LEU CB C 45.5 . 1 338 . 38 LEU HB2 H 1.49 . 2 339 . 38 LEU HB3 H 1.41 . 2 340 . 38 LEU CG C 26.4 . 1 341 . 38 LEU HG H 1.61 . 1 342 . 38 LEU HD1 H 0.79 . 2 343 . 38 LEU HD2 H 0.63 . 2 344 . 38 LEU CD1 C 26.6 . 1 345 . 38 LEU CD2 C 26.2 . 1 346 . 39 ARG N N 123.9 . 1 347 . 39 ARG H H 9.03 . 1 348 . 39 ARG CA C 54.3 . 1 349 . 39 ARG HA H 5.19 . 1 350 . 39 ARG CB C 33.3 . 1 351 . 39 ARG HB2 H 1.83 . 2 352 . 39 ARG HB3 H 1.66 . 2 353 . 39 ARG CG C 27.3 . 1 354 . 39 ARG HG2 H 1.32 . 2 355 . 39 ARG HG3 H 1.19 . 2 356 . 39 ARG CD C 43.1 . 1 357 . 39 ARG HD2 H 3.03 . 2 358 . 39 ARG HD3 H 3.07 . 2 359 . 40 VAL N N 127.0 . 1 360 . 40 VAL H H 8.79 . 1 361 . 40 VAL CA C 63.3 . 1 362 . 40 VAL HA H 4.03 . 1 363 . 40 VAL CB C 31.0 . 1 364 . 40 VAL HB H 2.55 . 1 365 . 40 VAL HG1 H 0.88 . 2 366 . 40 VAL HG2 H 0.61 . 2 367 . 40 VAL CG1 C 21.8 . 1 368 . 40 VAL CG2 C 21.3 . 1 369 . 41 VAL N N 128.9 . 1 370 . 41 VAL H H 9.19 . 1 371 . 41 VAL CA C 64.0 . 1 372 . 41 VAL HA H 4.07 . 1 373 . 41 VAL CB C 33.0 . 1 374 . 41 VAL HB H 1.74 . 1 375 . 41 VAL HG1 H 0.88 . 2 376 . 41 VAL HG2 H 0.85 . 2 377 . 41 VAL CG1 C 20.9 . 1 378 . 41 VAL CG2 C 20.9 . 1 379 . 42 ARG N N 115.5 . 1 380 . 42 ARG H H 7.65 . 1 381 . 42 ARG CA C 55.7 . 1 382 . 42 ARG HA H 4.50 . 1 383 . 42 ARG CB C 33.3 . 1 384 . 42 ARG HB2 H 1.78 . 1 385 . 42 ARG HB3 H 1.78 . 1 386 . 42 ARG CG C 27.1 . 1 387 . 42 ARG HG2 H 1.36 . 2 388 . 42 ARG HG3 H 1.51 . 2 389 . 42 ARG CD C 42.9 . 1 390 . 42 ARG HD2 H 3.13 . 1 391 . 42 ARG HD3 H 3.13 . 1 392 . 43 ILE N N 124.2 . 1 393 . 43 ILE H H 8.89 . 1 394 . 43 ILE CA C 61.1 . 1 395 . 43 ILE HA H 4.21 . 1 396 . 43 ILE CB C 39.9 . 1 397 . 43 ILE HB H 1.62 . 1 398 . 43 ILE HG2 H 0.95 . 1 399 . 43 ILE CG2 C 16.8 . 1 400 . 43 ILE CG1 C 27.9 . 1 401 . 43 ILE HG12 H 0.86 . 2 402 . 43 ILE HG13 H 1.29 . 2 403 . 43 ILE HD1 H 0.72 . 1 404 . 43 ILE CD1 C 13.4 . 1 405 . 44 ALA N N 129.9 . 1 406 . 44 ALA H H 7.61 . 1 407 . 44 ALA CA C 51.8 . 1 408 . 44 ALA HA H 4.44 . 1 409 . 44 ALA HB H 1.39 . 1 410 . 44 ALA CB C 17.4 . 1 411 . 45 PRO CD C 50.0 . 1 412 . 45 PRO CA C 65.7 . 1 413 . 45 PRO HA H 4.26 . 1 414 . 45 PRO CB C 31.9 . 1 415 . 45 PRO HB2 H 1.88 . 2 416 . 45 PRO HB3 H 2.38 . 2 417 . 45 PRO CG C 27.6 . 1 418 . 45 PRO HG2 H 2.05 . 2 419 . 45 PRO HG3 H 2.19 . 2 420 . 45 PRO HD2 H 3.83 . 1 421 . 45 PRO HD3 H 3.83 . 1 422 . 46 LEU N N 114.6 . 1 423 . 46 LEU H H 8.30 . 1 424 . 46 LEU CA C 55.2 . 1 425 . 46 LEU HA H 4.33 . 1 426 . 46 LEU CB C 40.9 . 1 427 . 46 LEU HB2 H 1.89 . 2 428 . 46 LEU HB3 H 1.74 . 2 429 . 46 LEU CG C 27.3 . 1 430 . 46 LEU HG H 1.67 . 1 431 . 46 LEU HD1 H 0.87 . 2 432 . 46 LEU HD2 H 0.94 . 2 433 . 46 LEU CD1 C 22.9 . 1 434 . 46 LEU CD2 C 24.9 . 1 435 . 47 GLY N N 107.5 . 1 436 . 47 GLY H H 8.47 . 1 437 . 47 GLY CA C 45.1 . 1 438 . 47 GLY HA2 H 3.40 . 2 439 . 47 GLY HA3 H 4.21 . 2 440 . 48 ASP N N 117.5 . 1 441 . 48 ASP H H 6.86 . 1 442 . 48 ASP CA C 51.4 . 1 443 . 48 ASP HA H 4.78 . 1 444 . 48 ASP CB C 45.0 . 1 445 . 48 ASP HB2 H 2.57 . 2 446 . 48 ASP HB3 H 2.51 . 2 447 . 49 PRO CD C 50.2 . 1 448 . 49 PRO CA C 63.4 . 1 449 . 49 PRO HA H 5.54 . 1 450 . 49 PRO CB C 35.4 . 1 451 . 49 PRO HB2 H 1.90 . 2 452 . 49 PRO HB3 H 2.08 . 2 453 . 49 PRO CG C 24.3 . 1 454 . 49 PRO HG2 H 1.67 . 2 455 . 49 PRO HG3 H 1.91 . 2 456 . 49 PRO HD2 H 3.42 . 2 457 . 49 PRO HD3 H 3.46 . 2 458 . 50 ILE N N 119.2 . 1 459 . 50 ILE H H 9.10 . 1 460 . 50 ILE CA C 61.1 . 1 461 . 50 ILE HA H 4.45 . 1 462 . 50 ILE CB C 40.5 . 1 463 . 50 ILE HB H 1.66 . 1 464 . 50 ILE HG2 H 0.74 . 1 465 . 50 ILE CG2 C 19.1 . 1 466 . 50 ILE CG1 C 29.0 . 1 467 . 50 ILE HG12 H 1.52 . 2 468 . 50 ILE HG13 H 1.07 . 2 469 . 50 ILE HD1 H 0.81 . 1 470 . 50 ILE CD1 C 14.9 . 1 471 . 51 GLN N N 127.6 . 1 472 . 51 GLN H H 8.96 . 1 473 . 51 GLN CA C 55.0 . 1 474 . 51 GLN HA H 5.03 . 1 475 . 51 GLN CB C 28.9 . 1 476 . 51 GLN HB2 H 2.05 . 2 477 . 51 GLN HB3 H 2.01 . 2 478 . 51 GLN CG C 32.6 . 1 479 . 51 GLN HG2 H 2.20 . 2 480 . 51 GLN HG3 H 2.26 . 2 481 . 51 GLN NE2 N 109.9 . 1 482 . 51 GLN HE21 H 6.73 . 2 483 . 51 GLN HE22 H 7.37 . 2 484 . 52 VAL N N 120.8 . 1 485 . 52 VAL H H 9.41 . 1 486 . 52 VAL CA C 58.5 . 1 487 . 52 VAL HA H 5.55 . 1 488 . 52 VAL CB C 35.5 . 1 489 . 52 VAL HB H 2.08 . 1 490 . 52 VAL HG1 H 0.86 . 2 491 . 52 VAL HG2 H 0.84 . 2 492 . 52 VAL CG1 C 22.2 . 1 493 . 52 VAL CG2 C 19.5 . 1 494 . 53 GLU N N 120.6 . 1 495 . 53 GLU H H 9.25 . 1 496 . 53 GLU CA C 54.7 . 1 497 . 53 GLU HA H 5.36 . 1 498 . 53 GLU CB C 33.1 . 1 499 . 53 GLU HB2 H 1.86 . 2 500 . 53 GLU HB3 H 1.99 . 2 501 . 53 GLU CG C 36.3 . 1 502 . 53 GLU HG2 H 2.19 . 1 503 . 53 GLU HG3 H 2.19 . 1 504 . 54 THR N N 117.5 . 1 505 . 54 THR H H 8.88 . 1 506 . 54 THR CA C 60.0 . 1 507 . 54 THR HA H 4.85 . 1 508 . 54 THR CB C 70.6 . 1 509 . 54 THR HB H 4.59 . 1 510 . 54 THR HG2 H 1.08 . 1 511 . 54 THR CG2 C 19.8 . 1 512 . 55 ARG N N 121.9 . 1 513 . 55 ARG H H 9.27 . 1 514 . 55 ARG CA C 58.1 . 1 515 . 55 ARG HA H 4.07 . 1 516 . 55 ARG CB C 29.3 . 1 517 . 55 ARG HB2 H 1.91 . 2 518 . 55 ARG HB3 H 1.96 . 2 519 . 55 ARG CG C 27.2 . 1 520 . 55 ARG HG2 H 1.70 . 2 521 . 55 ARG HG3 H 1.77 . 2 522 . 55 ARG CD C 43.4 . 1 523 . 55 ARG HD2 H 3.29 . 2 524 . 55 ARG HD3 H 3.23 . 2 525 . 56 GLN N N 112.7 . 1 526 . 56 GLN H H 8.29 . 1 527 . 56 GLN CA C 56.7 . 1 528 . 56 GLN HA H 4.30 . 1 529 . 56 GLN CB C 29.5 . 1 530 . 56 GLN HB2 H 2.14 . 2 531 . 56 GLN HB3 H 2.04 . 2 532 . 56 GLN CG C 34.6 . 1 533 . 56 GLN HG2 H 2.29 . 1 534 . 56 GLN HG3 H 2.29 . 1 535 . 56 GLN NE2 N 112.1 . 1 536 . 56 GLN HE21 H 6.87 . 2 537 . 56 GLN HE22 H 7.45 . 2 538 . 57 THR N N 113.9 . 1 539 . 57 THR H H 7.88 . 1 540 . 57 THR CA C 60.7 . 1 541 . 57 THR HA H 4.65 . 1 542 . 57 THR CB C 70.5 . 1 543 . 57 THR HB H 4.09 . 1 544 . 57 THR HG2 H 1.11 . 1 545 . 57 THR CG2 C 19.9 . 1 546 . 58 SER N N 117.9 . 1 547 . 58 SER H H 8.32 . 1 548 . 58 SER CA C 56.8 . 1 549 . 58 SER HA H 5.36 . 1 550 . 58 SER CB C 64.3 . 1 551 . 58 SER HB2 H 3.79 . 2 552 . 58 SER HB3 H 3.82 . 2 553 . 59 LEU N N 125.0 . 1 554 . 59 LEU H H 9.14 . 1 555 . 59 LEU CA C 54.3 . 1 556 . 59 LEU HA H 4.75 . 1 557 . 59 LEU CB C 45.7 . 1 558 . 59 LEU HB2 H 1.56 . 2 559 . 59 LEU HB3 H 1.48 . 2 560 . 59 LEU CG C 26.5 . 1 561 . 59 LEU HG H 1.49 . 1 562 . 59 LEU HD1 H 0.84 . 1 563 . 59 LEU HD2 H 0.84 . 1 564 . 59 LEU CD1 C 26.5 . 1 565 . 59 LEU CD2 C 26.5 . 1 566 . 60 ALA N N 125.0 . 1 567 . 60 ALA H H 8.39 . 1 568 . 60 ALA CA C 50.7 . 1 569 . 60 ALA HA H 4.79 . 1 570 . 60 ALA HB H 1.26 . 1 571 . 60 ALA CB C 18.7 . 1 572 . 61 LEU N N 124.7 . 1 573 . 61 LEU H H 9.04 . 1 574 . 61 LEU CA C 53.1 . 1 575 . 61 LEU HA H 4.70 . 1 576 . 61 LEU CB C 44.6 . 1 577 . 61 LEU HB2 H 1.69 . 2 578 . 61 LEU HB3 H 1.54 . 2 579 . 61 LEU CG C 26.8 . 1 580 . 61 LEU HG H 1.61 . 1 581 . 61 LEU HD1 H 0.83 . 2 582 . 61 LEU HD2 H 0.82 . 2 583 . 61 LEU CD1 C 24.5 . 1 584 . 61 LEU CD2 C 24.4 . 1 585 . 62 ARG N N 120.0 . 1 586 . 62 ARG H H 9.10 . 1 587 . 62 ARG CA C 53.6 . 1 588 . 62 ARG HA H 4.77 . 1 589 . 62 ARG CB C 29.7 . 1 590 . 62 ARG HB2 H 2.21 . 2 591 . 62 ARG HB3 H 1.71 . 2 592 . 62 ARG CG C 26.4 . 1 593 . 62 ARG HG2 H 1.74 . 2 594 . 62 ARG HG3 H 1.86 . 2 595 . 62 ARG CD C 42.6 . 1 596 . 62 ARG HD2 H 3.29 . 2 597 . 62 ARG HD3 H 3.10 . 2 598 . 63 ARG N N 126.0 . 1 599 . 63 ARG H H 9.52 . 1 600 . 63 ARG CA C 60.2 . 1 601 . 63 ARG HA H 3.77 . 1 602 . 63 ARG CB C 29.3 . 1 603 . 63 ARG HB2 H 1.88 . 2 604 . 63 ARG HB3 H 1.78 . 2 605 . 63 ARG CG C 27.6 . 1 606 . 63 ARG HG2 H 1.57 . 2 607 . 63 ARG HG3 H 1.69 . 2 608 . 63 ARG CD C 43.1 . 1 609 . 63 ARG HD2 H 3.16 . 1 610 . 63 ARG HD3 H 3.16 . 1 611 . 64 LYS N N 115.7 . 1 612 . 64 LYS H H 8.52 . 1 613 . 64 LYS CA C 58.7 . 1 614 . 64 LYS HA H 3.97 . 1 615 . 64 LYS CB C 32.1 . 1 616 . 64 LYS HB2 H 1.62 . 2 617 . 64 LYS HB3 H 1.76 . 2 618 . 64 LYS CG C 24.4 . 1 619 . 64 LYS HG2 H 1.29 . 1 620 . 64 LYS HG3 H 1.29 . 1 621 . 64 LYS CD C 29.3 . 1 622 . 64 LYS HD2 H 1.60 . 1 623 . 64 LYS HD3 H 1.60 . 1 624 . 64 LYS CE C 41.9 . 1 625 . 64 LYS HE2 H 2.83 . 2 626 . 64 LYS HE3 H 2.87 . 2 627 . 65 ASP N N 116.7 . 1 628 . 65 ASP H H 7.10 . 1 629 . 65 ASP CA C 56.9 . 1 630 . 65 ASP HA H 4.58 . 1 631 . 65 ASP CB C 41.4 . 1 632 . 65 ASP HB2 H 2.94 . 2 633 . 65 ASP HB3 H 2.53 . 2 634 . 66 LEU N N 118.0 . 1 635 . 66 LEU H H 7.43 . 1 636 . 66 LEU CA C 57.1 . 1 637 . 66 LEU HA H 3.89 . 1 638 . 66 LEU CB C 41.5 . 1 639 . 66 LEU HB2 H 1.61 . 2 640 . 66 LEU HB3 H 1.53 . 2 641 . 66 LEU CG C 27.1 . 1 642 . 66 LEU HG H 1.58 . 1 643 . 66 LEU HD1 H 0.70 . 2 644 . 66 LEU HD2 H 0.71 . 2 645 . 66 LEU CD1 C 25.1 . 1 646 . 66 LEU CD2 C 25.1 . 1 647 . 67 ALA N N 118.0 . 1 648 . 67 ALA H H 7.85 . 1 649 . 67 ALA CA C 53.6 . 1 650 . 67 ALA HA H 4.16 . 1 651 . 67 ALA HB H 1.39 . 1 652 . 67 ALA CB C 18.2 . 1 653 . 68 LEU N N 116.9 . 1 654 . 68 LEU H H 7.32 . 1 655 . 68 LEU CA C 54.9 . 1 656 . 68 LEU HA H 4.35 . 1 657 . 68 LEU CB C 42.3 . 1 658 . 68 LEU HB2 H 2.03 . 2 659 . 68 LEU HB3 H 1.68 . 2 660 . 68 LEU CG C 26.6 . 1 661 . 68 LEU HG H 1.82 . 1 662 . 68 LEU HD1 H 0.70 . 2 663 . 68 LEU HD2 H 0.74 . 2 664 . 68 LEU CD1 C 26.4 . 1 665 . 68 LEU CD2 C 22.5 . 1 666 . 69 LEU N N 118.7 . 1 667 . 69 LEU H H 7.51 . 1 668 . 69 LEU CA C 53.4 . 1 669 . 69 LEU HA H 4.75 . 1 670 . 69 LEU CB C 44.1 . 1 671 . 69 LEU HB2 H 1.90 . 2 672 . 69 LEU HB3 H 1.18 . 2 673 . 69 LEU CG C 26.4 . 1 674 . 69 LEU HG H 2.01 . 1 675 . 69 LEU HD1 H 0.89 . 2 676 . 69 LEU HD2 H 0.83 . 2 677 . 69 LEU CD1 C 24.3 . 1 678 . 69 LEU CD2 C 26.3 . 1 679 . 70 THR N N 116.6 . 1 680 . 70 THR H H 8.22 . 1 681 . 70 THR CA C 61.2 . 1 682 . 70 THR HA H 4.39 . 1 683 . 70 THR CB C 68.4 . 1 684 . 70 THR HB H 3.77 . 1 685 . 70 THR HG2 H 0.90 . 1 686 . 70 THR CG2 C 21.4 . 1 687 . 71 LEU N N 125.1 . 1 688 . 71 LEU H H 8.32 . 1 689 . 71 LEU CA C 53.2 . 1 690 . 71 LEU HA H 5.43 . 1 691 . 71 LEU CB C 45.7 . 1 692 . 71 LEU HB2 H 1.51 . 2 693 . 71 LEU HB3 H 1.15 . 2 694 . 71 LEU CG C 26.4 . 1 695 . 71 LEU HG H 1.35 . 1 696 . 71 LEU HD1 H 0.40 . 2 697 . 71 LEU HD2 H 0.60 . 2 698 . 71 LEU CD1 C 25.6 . 1 699 . 71 LEU CD2 C 25.7 . 1 700 . 72 VAL N N 117.5 . 1 701 . 72 VAL H H 8.81 . 1 702 . 72 VAL CA C 58.2 . 1 703 . 72 VAL HA H 4.94 . 1 704 . 72 VAL CB C 34.5 . 1 705 . 72 VAL HB H 2.12 . 1 706 . 72 VAL HG1 H 0.89 . 2 707 . 72 VAL HG2 H 0.98 . 2 708 . 72 VAL CG1 C 20.1 . 1 709 . 72 VAL CG2 C 21.2 . 1 710 . 73 PRO CD C 51.0 . 1 711 . 73 PRO CA C 63.1 . 1 712 . 73 PRO HA H 4.28 . 1 713 . 73 PRO CB C 32.0 . 1 714 . 73 PRO HB2 H 1.87 . 2 715 . 73 PRO HB3 H 2.18 . 2 716 . 73 PRO CG C 27.6 . 1 717 . 73 PRO HG2 H 2.02 . 2 718 . 73 PRO HG3 H 2.17 . 2 719 . 73 PRO HD2 H 3.89 . 2 720 . 73 PRO HD3 H 3.82 . 2 721 . 74 LEU N N 123.1 . 1 722 . 74 LEU H H 8.06 . 1 723 . 74 LEU CA C 54.6 . 1 724 . 74 LEU HA H 4.29 . 1 725 . 74 LEU CB C 42.5 . 1 726 . 74 LEU HB2 H 1.43 . 2 727 . 74 LEU HB3 H 1.15 . 2 728 . 74 LEU CG C 26.7 . 1 729 . 74 LEU HG H 1.43 . 1 730 . 74 LEU HD1 H 0.73 . 2 731 . 74 LEU HD2 H 0.78 . 2 732 . 74 LEU CD1 C 22.3 . 1 733 . 74 LEU CD2 C 23.8 . 1 734 . 75 ASP N N 120.2 . 1 735 . 75 ASP H H 7.82 . 1 736 . 75 ASP CA C 52.2 . 1 737 . 75 ASP HA H 4.82 . 1 738 . 75 ASP CB C 31.1 . 1 739 . 75 ASP HB2 H 2.06 . 2 740 . 75 ASP HB3 H 1.73 . 2 stop_ save_