data_6073 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A functional SOD-like protein in Bacillus subtilis ; _BMRB_accession_number 6073 _BMRB_flat_file_name bmr6073.str _Entry_type original _Submission_date 2004-01-13 _Accession_date 2004-01-14 _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 Banci L. . . 2 Bertini I. . . 3 Cramaro F. . . 4 'Del Conte' R. . . 5 Fantoni A. . . 6 Quattrone A. . . 7 Viezzoli 'M. Silvia' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 710 "13C chemical shifts" 588 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-18 original author . stop_ _Original_release_date 2005-08-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A prokaryotic superoxide dismutase paralog lacking two Cu ligands: From largely unstructured in solution to ordered in the crystal ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15897454 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci L. . . 2 Bertini I. . . 3 Calderone V. . . 4 Cramaro F. . . 5 'Del Conte' R. . . 6 Fantoni A. . . 7 Mangani S. . . 8 Quattrone A. . . 9 Viezzoli M. Silvia . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 102 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7541 _Page_last 7546 _Year 2005 _Details . loop_ _Keyword SOD-like 'bacillus subtilis' BsSOD 'solution structure' NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_BsSOD _Saveframe_category molecular_system _Mol_system_name 'Hypothetical superoxide dismutase-like protein yojM' _Abbreviation_common BsSOD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical superoxide dismutase-like protein' $BsSOD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BsSOD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hypothetical superoxide dismutase-like protein' _Abbreviation_common BsSOD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; VVETSAFGHHVQLVNREGKA VGFIEIKESDDEGLDIHISA NSLRPGASLGFHIYEKGSCV RPDFESAGGPFNPLNKEHGF NNPMGHHAGDLPNLEVGADG KVDVIMNAPDTSLKKGSKLN ILDEDGSAFIIHEQADDYLT NPSGNSGARIVCGALLGNNE KQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 35 VAL 2 36 VAL 3 37 GLU 4 38 THR 5 39 SER 6 40 ALA 7 41 PHE 8 42 GLY 9 43 HIS 10 44 HIS 11 45 VAL 12 46 GLN 13 47 LEU 14 48 VAL 15 49 ASN 16 50 ARG 17 51 GLU 18 52 GLY 19 53 LYS 20 54 ALA 21 55 VAL 22 56 GLY 23 57 PHE 24 58 ILE 25 59 GLU 26 60 ILE 27 61 LYS 28 62 GLU 29 63 SER 30 64 ASP 31 65 ASP 32 66 GLU 33 67 GLY 34 68 LEU 35 69 ASP 36 70 ILE 37 71 HIS 38 72 ILE 39 73 SER 40 74 ALA 41 75 ASN 42 76 SER 43 77 LEU 44 78 ARG 45 79 PRO 46 80 GLY 47 81 ALA 48 82 SER 49 83 LEU 50 84 GLY 51 85 PHE 52 86 HIS 53 87 ILE 54 88 TYR 55 89 GLU 56 90 LYS 57 91 GLY 58 92 SER 59 93 CYS 60 94 VAL 61 95 ARG 62 96 PRO 63 97 ASP 64 98 PHE 65 99 GLU 66 100 SER 67 101 ALA 68 102 GLY 69 103 GLY 70 104 PRO 71 105 PHE 72 106 ASN 73 107 PRO 74 108 LEU 75 109 ASN 76 110 LYS 77 111 GLU 78 112 HIS 79 113 GLY 80 114 PHE 81 115 ASN 82 116 ASN 83 117 PRO 84 118 MET 85 119 GLY 86 120 HIS 87 121 HIS 88 122 ALA 89 123 GLY 90 124 ASP 91 125 LEU 92 126 PRO 93 127 ASN 94 128 LEU 95 129 GLU 96 130 VAL 97 131 GLY 98 132 ALA 99 133 ASP 100 134 GLY 101 135 LYS 102 136 VAL 103 137 ASP 104 138 VAL 105 139 ILE 106 140 MET 107 141 ASN 108 142 ALA 109 143 PRO 110 144 ASP 111 145 THR 112 146 SER 113 147 LEU 114 148 LYS 115 149 LYS 116 150 GLY 117 151 SER 118 152 LYS 119 153 LEU 120 154 ASN 121 155 ILE 122 156 LEU 123 157 ASP 124 158 GLU 125 159 ASP 126 160 GLY 127 161 SER 128 162 ALA 129 163 PHE 130 164 ILE 131 165 ILE 132 166 HIS 133 167 GLU 134 168 GLN 135 169 ALA 136 170 ASP 137 171 ASP 138 172 TYR 139 173 LEU 140 174 THR 141 175 ASN 142 176 PRO 143 177 SER 144 178 GLY 145 179 ASN 146 180 SER 147 181 GLY 148 182 ALA 149 183 ARG 150 184 ILE 151 185 VAL 152 186 CYS 153 187 GLY 154 188 ALA 155 189 LEU 156 190 LEU 157 191 GLY 158 192 ASN 159 193 ASN 160 194 GLU 161 195 LYS 162 196 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-21 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 1S4I "Crystal Structure Of A Sod-like Protein From Bacillus Subtilis" 100.00 175 100.00 100.00 5.75e-112 PDB 1U3N "A Sod-Like Protein From B. Subtilis, Unstructured In Solution, Becomes Ordered In The Crystal: Implications For Function And Fo" 100.00 162 100.00 100.00 2.23e-112 PDB 1XTL "Crystal Structure Of P104h Mutant Of Sod-Like Protein From Bacillus Subtilis" 100.00 175 99.38 99.38 2.16e-110 PDB 1XTM "Crystal Structure Of The Double Mutant Y88h-p104h Of A Sod-like Protein From Bacillus Subtilis" 100.00 175 98.77 99.38 2.01e-109 DBJ BAI85608 "hypothetical protein BSNT_08503 [Bacillus subtilis subsp. natto BEST195]" 100.00 196 100.00 100.00 4.93e-112 DBJ BAM52604 "superoxide dismutase [Bacillus subtilis BEST7613]" 100.00 196 100.00 100.00 4.93e-112 DBJ BAM58179 "superoxide dismutase [Bacillus subtilis BEST7003]" 100.00 196 100.00 100.00 4.93e-112 DBJ GAK81228 "superoxide dismutase [Bacillus subtilis Miyagi-4]" 100.00 196 100.00 100.00 4.93e-112 EMBL CAB13832 "superoxide dismutase (exported lipoprotein) [Bacillus subtilis subsp. subtilis str. 168]" 100.00 196 100.00 100.00 4.93e-112 EMBL CCU58617 "Superoxide dismutase [Cu-Zn] precursor [Bacillus subtilis E1]" 100.00 196 100.00 100.00 4.93e-112 EMBL CEI57142 "superoxide dismutase-like protein YojM [Bacillus subtilis]" 100.00 196 100.00 100.00 4.93e-112 EMBL CEJ77567 "superoxide dismutase-like protein YojM [Bacillus sp.]" 100.00 196 100.00 100.00 4.93e-112 GB AAC17861 "YojM [Bacillus subtilis subsp. subtilis str. 168]" 100.00 196 100.00 100.00 4.93e-112 GB ADV92843 "superoxide dismutase (exported lipoprotein) [Bacillus subtilis BSn5]" 100.00 196 100.00 100.00 3.92e-112 GB AEP91136 "copper/zinc superoxide dismutase [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 196 100.00 100.00 3.44e-112 GB AFI28656 "superoxide dismutase [Bacillus sp. JS]" 100.00 196 98.77 99.38 3.57e-110 GB AFQ57880 "Superoxide dismutase (exported lipoprotein) [Bacillus subtilis QB928]" 100.00 196 100.00 100.00 4.93e-112 REF NP_389822 "superoxide dismutase-like protein YojM [Bacillus subtilis subsp. subtilis str. 168]" 100.00 196 100.00 100.00 4.93e-112 REF WP_004399243 "MULTISPECIES: superoxide dismutase [Bacillales]" 100.00 196 100.00 100.00 4.93e-112 REF WP_014477080 "superoxide dismutase [Bacillus subtilis]" 100.00 196 100.00 100.00 3.44e-112 REF WP_014664276 "superoxide dismutase [Bacillus sp. JS]" 100.00 196 98.77 99.38 3.57e-110 REF WP_015251895 "superoxide dismutase [Bacillus subtilis]" 100.00 196 100.00 100.00 3.92e-112 SP O31851 "RecName: Full=Superoxide dismutase-like protein YojM; Flags: Precursor [Bacillus subtilis subsp. subtilis str. 168]" 100.00 196 100.00 100.00 4.93e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BsSOD 'Bacillus subtilis' 1423 Eubacteria . Bacillus subtilis 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 $BsSOD '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 $BsSOD 1.5 mM [U-15N] H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BsSOD 1.5 mM '[U-15N; U-13C]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CALIBA _Saveframe_category software _Name CALIBA _Version . loop_ _Task 'structure solution' stop_ _Details 'Guenter et al.' save_ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Task 'structure solution' stop_ _Details 'Guenter et al' save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Task refinement stop_ _Details 'Pearlman et al.' save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . loop_ _Task collection stop_ _Details . save_ save_PROCHECK _Saveframe_category software _Name PROCHECK _Version . loop_ _Task 'data analysis' stop_ _Details 'Laskowski et al.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_15N-CLEANEX_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-CLEANEX _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_15N-HSQC-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _Sample_label . save_ save_2D_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_13C-HSQC-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-NOESY _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CBCANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_13C_H(C)CH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C H(C)CH-TOCSY' _Sample_label . save_ save_13C-(H)CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-(H)CCH-TOCSY _Sample_label . save_ save_13C-CC(CO)NH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-CC(CO)NH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-CLEANEX _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C H(C)CH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-(H)CCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 pH temperature 298 0.1 K pressure 1 . atm stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 pH temperature 284 0.1 K pressure 1 . atm 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 15N-HSQC 15N-CLEANEX HNHA HNHB 15N-HSQC-NOESY '2D NOESY' 13C-HSQC-NOESY CBCA(CO)NH CBCANH HN(CA)CO HNCO '13C H(C)CH-TOCSY' 13C-(H)CCH-TOCSY 13C-CC(CO)NH-TOCSY stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hypothetical superoxide dismutase-like protein' _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 35 1 VAL CA C 59.49 . . 2 35 1 VAL CB C 30.07 . . 3 36 2 VAL H H 8.12 . . 4 36 2 VAL N N 123.25 . . 5 36 2 VAL CA C 59.25 . . 6 36 2 VAL C C 173.05 . . 7 36 2 VAL CB C 29.77 . . 8 36 2 VAL CG1 C 18.32 . . 9 36 2 VAL HG1 H 0.81 . . 10 36 2 VAL CG2 C 17.78 . . 11 36 2 VAL HG2 H 0.83 . . 12 36 2 VAL HB H 1.93 . . 13 37 3 GLU H H 8.48 . . 14 37 3 GLU N N 125.39 . . 15 37 3 GLU CA C 53.59 . . 16 37 3 GLU C C 173.71 . . 17 37 3 GLU CB C 27.43 . . 18 38 4 THR H H 8.15 . . 19 38 4 THR N N 114.68 . . 20 38 4 THR CA C 58.96 . . 21 38 4 THR C C 171.68 . . 22 38 4 THR CB C 66.74 . . 23 38 4 THR CG2 C 18.85 . . 24 38 4 THR HG2 H 1.06 . . 25 38 4 THR HB H 4.10 . . 26 39 5 SER H H 8.27 . . 27 39 5 SER N N 117.32 . . 28 39 5 SER CA C 55.59 . . 29 39 5 SER C C 171.15 . . 30 39 5 SER CB C 61.01 . . 31 39 5 SER HB2 H 3.79 . . 32 39 5 SER HB3 H 3.74 . . 33 40 6 ALA H H 8.25 . . 34 40 6 ALA N N 124.24 . . 35 40 6 ALA CA C 49.21 . . 36 40 6 ALA C C 174.68 . . 37 40 6 ALA CB C 16.77 . . 38 40 6 ALA HA H 4.34 . . 39 40 6 ALA HB H 1.22 . . 40 41 7 PHE H H 8.22 . . 41 41 7 PHE N N 116.78 . . 42 41 7 PHE CA C 55.85 . . 43 41 7 PHE C C 173.35 . . 44 41 7 PHE CB C 37.43 . . 45 41 7 PHE HB2 H 2.90 . . 46 41 7 PHE CD1 C 129.02 . . 47 41 7 PHE HD1 H 7.08 . . 48 41 7 PHE HE1 H 7.23 . . 49 41 7 PHE HA H 4.22 . . 50 41 7 PHE CE1 C 132.95 . . 51 42 8 GLY H H 8.26 . . 52 42 8 GLY N N 108.87 . . 53 42 8 GLY CA C 42.38 . . 54 42 8 GLY C C 169.73 . . 55 43 9 HIS CA C 53.40 . . 56 43 9 HIS CB C 30.07 . . 57 44 10 HIS H H 7.92 . . 58 44 10 HIS N N 126.72 . . 59 44 10 HIS CA C 54.74 . . 60 44 10 HIS C C 172.87 . . 61 44 10 HIS CB C 27.97 . . 62 44 10 HIS HA H 4.78 . . 63 45 11 VAL H H 9.18 . . 64 45 11 VAL N N 127.80 . . 65 45 11 VAL CA C 57.96 . . 66 45 11 VAL C C 171.98 . . 67 45 11 VAL CB C 32.67 . . 68 45 11 VAL CG1 C 18.56 . . 69 45 11 VAL HG1 H 0.84 . . 70 45 11 VAL CG2 C 18.21 . . 71 45 11 VAL HG2 H 0.64 . . 72 45 11 VAL HA H 4.18 . . 73 45 11 VAL HB H 1.74 . . 74 46 12 GLN H H 8.77 . . 75 46 12 GLN N N 124.70 . . 76 46 12 GLN CA C 53.12 . . 77 46 12 GLN C C 172.23 . . 78 46 12 GLN CB C 27.64 . . 79 46 12 GLN HB2 H 2.15 . . 80 46 12 GLN HB3 H 2.05 . . 81 46 12 GLN CG C 31.73 . . 82 46 12 GLN HG3 H 2.30 . . 83 46 12 GLN HA H 4.37 . . 84 46 12 GLN HG2 H 2.41 . . 85 47 13 LEU H H 8.10 . . 86 47 13 LEU N N 122.29 . . 87 47 13 LEU CA C 50.62 . . 88 47 13 LEU C C 173.67 . . 89 47 13 LEU CB C 40.08 . . 90 47 13 LEU HB2 H 1.19 . . 91 47 13 LEU HB3 H 0.71 . . 92 47 13 LEU CG C 23.31 . . 93 47 13 LEU CD1 C 18.47 . . 94 47 13 LEU CD2 C 22.74 . . 95 47 13 LEU HD1 H 0.44 . . 96 47 13 LEU HD2 H 0.38 . . 97 47 13 LEU HA H 4.48 . . 98 47 13 LEU HG H 1.14 . . 99 48 14 VAL H H 8.32 . . 100 48 14 VAL N N 118.85 . . 101 48 14 VAL CA C 56.40 . . 102 48 14 VAL C C 171.80 . . 103 48 14 VAL CB C 32.54 . . 104 48 14 VAL CG1 C 17.17 . . 105 48 14 VAL HG1 H 0.96 . . 106 48 14 VAL CG2 C 17.87 . . 107 48 14 VAL HG2 H 0.93 . . 108 48 14 VAL HA H 5.19 . . 109 48 14 VAL HB H 1.94 . . 110 49 15 ASN H H 8.43 . . 111 49 15 ASN N N 120.57 . . 112 49 15 ASN ND2 N 109.90 . . 113 49 15 ASN CA C 47.61 . . 114 49 15 ASN C C 175.14 . . 115 49 15 ASN CB C 36.41 . . 116 49 15 ASN HB2 H 3.82 . . 117 49 15 ASN HB3 H 2.71 . . 118 49 15 ASN HD21 H 7.67 . . 119 49 15 ASN HD22 H 7.02 . . 120 49 15 ASN HA H 5.53 . . 121 50 16 ARG H H 7.82 . . 122 50 16 ARG N N 114.37 . . 123 50 16 ARG CA C 57.43 . . 124 50 16 ARG C C 174.66 . . 125 50 16 ARG CB C 28.24 . . 126 50 16 ARG HB2 H 1.85 . . 127 50 16 ARG HG2 H 1.95 . . 128 50 16 ARG HA H 3.79 . . 129 51 17 GLU H H 7.44 . . 130 51 17 GLU N N 114.03 . . 131 51 17 GLU CA C 53.71 . . 132 51 17 GLU C C 174.15 . . 133 51 17 GLU CB C 26.97 . . 134 51 17 GLU HB2 H 2.17 . . 135 51 17 GLU HB3 H 1.98 . . 136 51 17 GLU CG C 34.29 . . 137 51 17 GLU HG3 H 2.13 . . 138 51 17 GLU HA H 4.22 . . 139 51 17 GLU HG2 H 2.24 . . 140 52 18 GLY H H 8.34 . . 141 52 18 GLY N N 106.80 . . 142 52 18 GLY CA C 42.24 . . 143 52 18 GLY HA2 H 4.06 . . 144 52 18 GLY HA3 H 3.42 . . 145 52 18 GLY C C 170.57 . . 146 53 19 LYS H H 7.87 . . 147 53 19 LYS N N 121.26 . . 148 53 19 LYS CA C 52.47 . . 149 53 19 LYS C C 172.54 . . 150 53 19 LYS CB C 30.46 . . 151 53 19 LYS HB2 H 1.65 . . 152 53 19 LYS HB3 H 1.56 . . 153 53 19 LYS CG C 22.03 . . 154 53 19 LYS HA H 4.20 . . 155 54 20 ALA H H 8.51 . . 156 54 20 ALA N N 126.07 . . 157 54 20 ALA CA C 49.44 . . 158 54 20 ALA C C 176.41 . . 159 54 20 ALA CB C 15.28 . . 160 54 20 ALA HA H 4.91 . . 161 54 20 ALA HB H 1.42 . . 162 55 21 VAL H H 8.12 . . 163 55 21 VAL N N 114.72 . . 164 55 21 VAL CA C 57.58 . . 165 55 21 VAL C C 170.50 . . 166 55 21 VAL CB C 28.32 . . 167 55 21 VAL CG1 C 18.91 . . 168 55 21 VAL HG1 H 0.73 . . 169 55 21 VAL CG2 C 16.13 . . 170 55 21 VAL HG2 H 0.47 . . 171 55 21 VAL HA H 4.51 . . 172 55 21 VAL HB H 2.92 . . 173 56 22 GLY H H 7.20 . . 174 56 22 GLY N N 103.71 . . 175 56 22 GLY CA C 41.96 . . 176 56 22 GLY HA2 H 5.15 . . 177 56 22 GLY HA3 H 3.75 . . 178 56 22 GLY C C 170.13 . . 179 57 23 PHE H H 8.91 . . 180 57 23 PHE N N 118.16 . . 181 57 23 PHE CA C 53.08 . . 182 57 23 PHE C C 168.77 . . 183 57 23 PHE CB C 39.18 . . 184 57 23 PHE HB2 H 2.87 . . 185 57 23 PHE HB3 H 2.30 . . 186 57 23 PHE CD1 C 129.42 . . 187 57 23 PHE HD1 H 6.63 . . 188 57 23 PHE HE1 H 6.85 . . 189 57 23 PHE HA H 5.40 . . 190 57 23 PHE CE1 C 127.4 . . 191 58 24 ILE H H 8.75 . . 192 58 24 ILE N N 116.44 . . 193 58 24 ILE CA C 55.55 . . 194 58 24 ILE C C 170.80 . . 195 58 24 ILE CB C 39.77 . . 196 58 24 ILE CG2 C 14.74 . . 197 58 24 ILE HG2 H 0.14 . . 198 58 24 ILE CG1 C 25.49 . . 199 58 24 ILE CD1 C 12.66 . . 200 58 24 ILE HD1 H 0.38 . . 201 58 24 ILE HA H 4.90 . . 202 58 24 ILE HB H 0.96 . . 203 58 24 ILE HG12 H 1.16 . . 204 58 24 ILE HG13 H 0.61 . . 205 59 25 GLU H H 8.85 . . 206 59 25 GLU N N 121.26 . . 207 59 25 GLU CA C 51.59 . . 208 59 25 GLU C C 172.70 . . 209 59 25 GLU CB C 30.08 . . 210 59 25 GLU HB2 H 2.06 . . 211 59 25 GLU HB3 H 1.86 . . 212 59 25 GLU CG C 33.82 . . 213 59 25 GLU HG3 H 2.07 . . 214 59 25 GLU HA H 5.19 . . 215 59 25 GLU HG2 H 2.15 . . 216 60 26 ILE H H 8.92 . . 217 60 26 ILE N N 119.54 . . 218 60 26 ILE CA C 58.12 . . 219 60 26 ILE C C 172.39 . . 220 60 26 ILE CB C 40.13 . . 221 60 26 ILE CG2 C 17.24 . . 222 60 26 ILE HG2 H 0.81 . . 223 60 26 ILE CG1 C 25.05 . . 224 60 26 ILE CD1 C 12.61 . . 225 60 26 ILE HD1 H 0.67 . . 226 60 26 ILE HA H 5.21 . . 227 60 26 ILE HB H 1.53 . . 228 60 26 ILE HG12 H 1.38 . . 229 60 26 ILE HG13 H 0.79 . . 230 61 27 LYS H H 8.93 . . 231 61 27 LYS N N 123.32 . . 232 61 27 LYS CA C 51.55 . . 233 61 27 LYS C C 171.60 . . 234 61 27 LYS CB C 33.52 . . 235 61 27 LYS HB2 H 1.29 . . 236 61 27 LYS HG2 H 0.88 . . 237 61 27 LYS HA H 4.72 . . 238 61 27 LYS HD2 H 1.00 . . 239 61 27 LYS HD3 H 0.66 . . 240 62 28 GLU H H 8.80 . . 241 62 28 GLU N N 120.57 . . 242 62 28 GLU CA C 54.99 . . 243 62 28 GLU C C 173.32 . . 244 62 28 GLU CB C 26.69 . . 245 62 28 GLU HB2 H 1.89 . . 246 62 28 GLU HB3 H 1.81 . . 247 62 28 GLU CG C 34.43 . . 248 62 28 GLU HG3 H 2.13 . . 249 62 28 GLU HA H 4.13 . . 250 62 28 GLU HG2 H 2.24 . . 251 63 29 SER H H 8.06 . . 252 63 29 SER N N 117.13 . . 253 63 29 SER CA C 54.73 . . 254 63 29 SER C C 172.69 . . 255 63 29 SER CB C 60.90 . . 256 63 29 SER HB2 H 3.21 . . 257 63 29 SER HB3 H 2.99 . . 258 63 29 SER HA H 4.13 . . 259 64 30 ASP H H 8.75 . . 260 64 30 ASP N N 124.70 . . 261 64 30 ASP CA C 53.28 . . 262 64 30 ASP C C 173.16 . . 263 64 30 ASP CB C 37.64 . . 264 64 30 ASP HB2 H 2.61 . . 265 64 30 ASP HB3 H 2.40 . . 266 64 30 ASP HA H 4.37 . . 267 65 31 ASP H H 8.31 . . 268 65 31 ASP N N 119.19 . . 269 65 31 ASP CA C 51.68 . . 270 65 31 ASP C C 171.40 . . 271 65 31 ASP CB C 38.17 . . 272 65 31 ASP HB2 H 2.63 . . 273 65 31 ASP HB3 H 2.40 . . 274 65 31 ASP HA H 4.66 . . 275 66 32 GLU H H 7.58 . . 276 66 32 GLU N N 116.44 . . 277 66 32 GLU CA C 52.85 . . 278 66 32 GLU C C 172.87 . . 279 66 32 GLU CB C 29.42 . . 280 66 32 GLU HB2 H 1.97 . . 281 66 32 GLU HB3 H 1.86 . . 282 66 32 GLU CG C 33.12 . . 283 66 32 GLU HG2 H 2.20 . . 284 66 32 GLU HA H 4.47 . . 285 67 33 GLY H H 8.51 . . 286 67 33 GLY N N 109.21 . . 287 67 33 GLY CA C 43.41 . . 288 67 33 GLY HA2 H 4.33 . . 289 67 33 GLY HA3 H 4.08 . . 290 67 33 GLY C C 171.84 . . 291 68 34 LEU H H 7.46 . . 292 68 34 LEU N N 121.26 . . 293 68 34 LEU CA C 50.30 . . 294 68 34 LEU C C 172.34 . . 295 68 34 LEU CB C 41.58 . . 296 68 34 LEU HB2 H 1.61 . . 297 68 34 LEU HB3 H 1.02 . . 298 68 34 LEU CG C 23.19 . . 299 68 34 LEU CD1 C 20.56 . . 300 68 34 LEU CD2 C 20.54 . . 301 68 34 LEU HD1 H 0.69 . . 302 68 34 LEU HD2 H 0.69 . . 303 68 34 LEU HA H 4.84 . . 304 68 34 LEU HG H 0.51 . . 305 69 35 ASP H H 8.98 . . 306 69 35 ASP N N 119.88 . . 307 69 35 ASP CA C 50.60 . . 308 69 35 ASP C C 171.99 . . 309 69 35 ASP CB C 39.32 . . 310 69 35 ASP HB2 H 2.29 . . 311 69 35 ASP HA H 5.41 . . 312 70 36 ILE H H 9.28 . . 313 70 36 ILE N N 120.91 . . 314 70 36 ILE CA C 56.61 . . 315 70 36 ILE C C 171.59 . . 316 70 36 ILE CB C 37.44 . . 317 70 36 ILE CG2 C 15.00 . . 318 70 36 ILE HG2 H 0.64 . . 319 70 36 ILE CG1 C 24.46 . . 320 70 36 ILE CD1 C 11.20 . . 321 70 36 ILE HD1 H 0.077 . . 322 70 36 ILE HA H 4.58 . . 323 70 36 ILE HB H 1.85 . . 324 70 36 ILE HG12 H 1.45 . . 325 70 36 ILE HG13 H 1.00 . . 326 71 37 HIS H H 9.24 . . 327 71 37 HIS N N 124.35 . . 328 71 37 HIS CA C 49.13 . . 329 71 37 HIS C C 169.90 . . 330 71 37 HIS HA H 5.51 . . 331 71 37 HIS CB C 27.58 . . 332 71 37 HIS CD2 C 116.89 . . 333 71 37 HIS HD2 H 6.89 . . 334 71 37 HIS CE1 C 133.70 . . 335 71 37 HIS HE1 H 8.32 . . 336 72 38 ILE N N 125.39 . . 337 72 38 ILE H H 8.88 . . 338 72 38 ILE C C 169.05 . . 339 72 38 ILE CA C 55.96 . . 340 72 38 ILE HA H 4.31 . . 341 72 38 ILE CB C 37.50 . . 342 72 38 ILE HB H 1.26 . . 343 72 38 ILE CG1 C 26.53 . . 344 72 38 ILE HG12 H 1.04 . . 345 72 38 ILE HG13 H 0.54 . . 346 72 38 ILE CG2 C 14.23 . . 347 72 38 ILE HG2 H 0.49 . . 348 72 38 ILE CD1 C 13.23 . . 349 72 38 ILE HD1 H 0.39 . . 350 73 39 SER H H 7.47 . . 351 73 39 SER N N 118.50 . . 352 73 39 SER CA C 51.81 . . 353 73 39 SER C C 170.23 . . 354 73 39 SER CB C 60.50 . . 355 73 39 SER HB2 H 2.42 . . 356 73 39 SER HB3 H 2.17 . . 357 73 39 SER HA H 4.93 . . 358 74 40 ALA H H 8.80 . . 359 74 40 ALA N N 125.39 . . 360 74 40 ALA CA C 47.40 . . 361 74 40 ALA C C 172.76 . . 362 74 40 ALA CB C 19.51 . . 363 74 40 ALA HA H 5.42 . . 364 74 40 ALA HB H 0.88 . . 365 75 41 ASN H H 8.60 . . 366 75 41 ASN N N 115.75 . . 367 75 41 ASN CA C 48.60 . . 368 75 41 ASN C C 169.05 . . 369 75 41 ASN ND2 N 115.06 . . 370 75 41 ASN HD21 H 7.37 . . 371 75 41 ASN HD22 H 6.96 . . 372 75 41 ASN CB C 39.18 . . 373 75 41 ASN HB2 H 2.72 . . 374 75 41 ASN HB3 H 2.53 . . 375 75 41 ASN HA H 5.11 . . 376 76 42 SER H H 8.37 . . 377 76 42 SER N N 103.36 . . 378 76 42 SER CA C 55.76 . . 379 76 42 SER C C 172.06 . . 380 76 42 SER CB C 57.86 . . 381 76 42 SER HB2 H 4.23 . . 382 76 42 SER HB3 H 3.90 . . 383 76 42 SER HA H 3.96 . . 384 77 43 LEU H H 8.36 . . 385 77 43 LEU N N 119.54 . . 386 77 43 LEU CA C 49.39 . . 387 77 43 LEU C C 173.77 . . 388 77 43 LEU CB C 41.00 . . 389 77 43 LEU HB2 H 1.40 . . 390 77 43 LEU HB3 H 1.09 . . 391 77 43 LEU CG C 23.38 . . 392 77 43 LEU CD1 C 23.23 . . 393 77 43 LEU HD1 H 0.41 . . 394 77 43 LEU CD2 C 19.15 . . 395 77 43 LEU HD2 H 0.55 . . 396 77 43 LEU HA H 4.44 . . 397 77 43 LEU HG H 1.38 . . 398 78 44 ARG H H 8.00 . . 399 78 44 ARG N N 121.95 . . 400 78 44 ARG CA C 51.94 . . 401 78 44 ARG C C 170.18 . . 402 78 44 ARG CB C 28.02 . . 403 78 44 ARG HB2 H 1.61 . . 404 78 44 ARG HA H 4.26 . . 405 78 44 ARG HG2 H 1.39 . . 406 78 44 ARG HD2 H 3.34 . . 407 79 45 PRO CA C 61.02 . . 408 79 45 PRO C C 175.87 . . 409 79 45 PRO CB C 29.32 . . 410 79 45 PRO HB2 H 2.09 . . 411 79 45 PRO HG3 H 1.60 . . 412 79 45 PRO HA H 4.05 . . 413 80 46 GLY H H 6.95 . . 414 80 46 GLY N N 109.56 . . 415 80 46 GLY CA C 43.05 . . 416 80 46 GLY HA2 H 3.86 . . 417 80 46 GLY HA3 H 3.72 . . 418 80 46 GLY C C 170.80 . . 419 81 47 ALA H H 7.33 . . 420 81 47 ALA N N 121.26 . . 421 81 47 ALA CA C 49.42 . . 422 81 47 ALA C C 172.61 . . 423 81 47 ALA CB C 18.10 . . 424 81 47 ALA HA H 4.12 . . 425 81 47 ALA HB H 1.17 . . 426 82 48 SER H H 7.39 . . 427 82 48 SER N N 114.03 . . 428 82 48 SER CA C 53.86 . . 429 82 48 SER C C 171.14 . . 430 82 48 SER CB C 60.80 . . 431 82 48 SER HB2 H 3.56 . . 432 82 48 SER HB3 H 3.46 . . 433 82 48 SER HA H 5.31 . . 434 83 49 LEU H H 8.96 . . 435 83 49 LEU N N 122.98 . . 436 83 49 LEU CA C 50.11 . . 437 83 49 LEU C C 173.16 . . 438 83 49 LEU CB C 41.39 . . 439 83 49 LEU HB2 H 1.96 . . 440 83 49 LEU HB3 H 1.27 . . 441 83 49 LEU HD1 H 0.72 . . 442 83 49 LEU HD2 H 0.72 . . 443 83 49 LEU HA H 4.30 . . 444 84 50 GLY H H 8.30 . . 445 84 50 GLY N N 108.87 . . 446 84 50 GLY CA C 43.39 . . 447 84 50 GLY HA2 H 4.82 . . 448 84 50 GLY HA3 H 3.44 . . 449 84 50 GLY C C 169.07 . . 450 85 51 PHE H H 10.25 . . 451 85 51 PHE N N 126.42 . . 452 85 51 PHE CA C 51.15 . . 453 85 51 PHE C C 171.56 . . 454 85 51 PHE CB C 38.80 . . 455 85 51 PHE HB2 H 3.42 . . 456 85 51 PHE HB3 H 2.99 . . 457 85 51 PHE CD1 C 129.02 . . 458 85 51 PHE HD1 H 7.40 . . 459 85 51 PHE HE1 H 7.00 . . 460 85 51 PHE HA H 6.10 . . 461 85 51 PHE CE1 C 127.07 . . 462 86 52 HIS H H 9.01 . . 463 86 52 HIS N N 126.76 . . 464 86 52 HIS CA C 51.26 . . 465 86 52 HIS CB C 32.16 . . 466 86 52 HIS HB2 H 3.23 . . 467 86 52 HIS CD2 C 125.12 . . 468 86 52 HIS HD2 H 7.37 . . 469 86 52 HIS HA H 5.02 . . 470 86 52 HIS CE1 C 138.90 . . 471 86 52 HIS HE1 H 7.89 . . 472 87 53 ILE H H 8.82 . . 473 87 53 ILE N N 119.88 . . 474 87 53 ILE CA C 57.89 . . 475 87 53 ILE C C 174.16 . . 476 87 53 ILE CB C 35.15 . . 477 87 53 ILE CG2 C 10.84 . . 478 87 53 ILE HG2 H 0.48 . . 479 87 53 ILE CG1 C 23.99 . . 480 87 53 ILE CD1 C 13.39 . . 481 87 53 ILE HD1 H 0.13 . . 482 87 53 ILE HA H 4.73 . . 483 87 53 ILE HB H 1.41 . . 484 88 54 TYR H H 9.86 . . 485 88 54 TYR N N 129.86 . . 486 88 54 TYR CA C 56.39 . . 487 88 54 TYR C C 174.11 . . 488 88 54 TYR CB C 38.30 . . 489 88 54 TYR HB2 H 2.28 . . 490 88 54 TYR CD1 C 134.80 . . 491 88 54 TYR HD1 H 6.78 . . 492 88 54 TYR HE1 H 7.60 . . 493 88 54 TYR HA H 4.68 . . 494 88 54 TYR CE1 C 118.20 . . 495 89 55 GLU H H 8.59 . . 496 89 55 GLU N N 116.10 . . 497 89 55 GLU CA C 55.93 . . 498 89 55 GLU C C 170.93 . . 499 89 55 GLU CB C 28.11 . . 500 89 55 GLU HB2 H 2.54 . . 501 89 55 GLU HB3 H 1.82 . . 502 89 55 GLU HG3 H 2.29 . . 503 89 55 GLU HA H 4.27 . . 504 89 55 GLU HG2 H 2.70 . . 505 90 56 LYS H H 8.64 . . 506 90 56 LYS N N 120.91 . . 507 90 56 LYS CA C 52.51 . . 508 90 56 LYS C C 172.87 . . 509 90 56 LYS CB C 31.70 . . 510 90 56 LYS HB2 H 1.60 . . 511 90 56 LYS HB3 H 1.51 . . 512 90 56 LYS CG C 22.75 . . 513 90 56 LYS HG2 H 1.17 . . 514 90 56 LYS HA H 4.33 . . 515 90 56 LYS CD C 26.34 . . 516 90 56 LYS HD2 H 1.56 . . 517 91 57 GLY H H 8.63 . . 518 91 57 GLY N N 109.56 . . 519 91 57 GLY CA C 44.68 . . 520 91 57 GLY HA2 H 3.88 . . 521 91 57 GLY HA3 H 3.02 . . 522 91 57 GLY C C 170.60 . . 523 92 58 SER H H 7.59 . . 524 92 58 SER N N 116.78 . . 525 92 58 SER CA C 54.18 . . 526 92 58 SER C C 171.98 . . 527 92 58 SER CB C 60.78 . . 528 92 58 SER HB2 H 3.40 . . 529 92 58 SER HB3 H 3.13 . . 530 92 58 SER HA H 4.22 . . 531 94 60 VAL CA C 59.79 . . 532 94 60 VAL C C 173.26 . . 533 94 60 VAL CB C 28.88 . . 534 94 60 VAL HG1 H 0.89 . . 535 94 60 VAL HG2 H 0.77 . . 536 94 60 VAL HA H 4.09 . . 537 94 60 VAL HB H 1.80 . . 538 95 61 ARG H H 8.63 . . 539 95 61 ARG N N 129.52 . . 540 95 61 ARG CA C 52.19 . . 541 95 61 ARG C C 171.16 . . 542 95 61 ARG CB C 26.17 . . 543 95 61 ARG HB2 H 1.64 . . 544 95 61 ARG HB3 H 1.48 . . 545 95 61 ARG HG2 H 1.50 . . 546 95 61 ARG HA H 2.97 . . 547 96 62 PRO CA C 60.23 . . 548 96 62 PRO C C 171.27 . . 549 96 62 PRO CB C 32.07 . . 550 96 62 PRO HB2 H 2.12 . . 551 96 62 PRO HB3 H 1.86 . . 552 96 62 PRO HD2 H 3.50 . . 553 96 62 PRO HD3 H 3.34 . . 554 96 62 PRO CG C 21.16 . . 555 96 62 PRO HG2 H 1.82 . . 556 96 62 PRO HA H 4.04 . . 557 96 62 PRO CD C 47.66 . . 558 97 63 ASP H H 7.33 . . 559 97 63 ASP N N 112.31 . . 560 97 63 ASP CA C 51.31 . . 561 97 63 ASP C C 173.35 . . 562 97 63 ASP CB C 39.50 . . 563 97 63 ASP HB2 H 2.66 . . 564 97 63 ASP HB3 H 2.45 . . 565 97 63 ASP HA H 4.45 . . 566 98 64 PHE H H 7.33 . . 567 98 64 PHE N N 109.21 . . 568 98 64 PHE CA C 55.10 . . 569 98 64 PHE C C 173.85 . . 570 98 64 PHE CB C 32.73 . . 571 98 64 PHE HB2 H 3.05 . . 572 98 64 PHE HB3 H 2.70 . . 573 98 64 PHE HD1 H 6.52 . . 574 98 64 PHE HE1 H 5.58 . . 575 98 64 PHE HA H 4.33 . . 576 98 64 PHE CE1 C 127.46 . . 577 99 65 GLU H H 8.39 . . 578 99 65 GLU N N 121.26 . . 579 99 65 GLU CA C 55.99 . . 580 99 65 GLU C C 176.45 . . 581 99 65 GLU CB C 25.81 . . 582 99 65 GLU HB2 H 1.94 . . 583 99 65 GLU HB3 H 1.74 . . 584 99 65 GLU CG C 33.43 . . 585 99 65 GLU HG3 H 2.00 . . 586 99 65 GLU HA H 3.90 . . 587 99 65 GLU HG2 H 2.19 . . 588 100 66 SER H H 8.61 . . 589 100 66 SER N N 115.41 . . 590 100 66 SER CA C 59.36 . . 591 100 66 SER C C 171.17 . . 592 100 66 SER CB C 59.36 . . 593 100 66 SER HB2 H 3.75 . . 594 100 66 SER HA H 3.93 . . 595 101 67 ALA H H 6.77 . . 596 101 67 ALA N N 123.67 . . 597 101 67 ALA CA C 50.28 . . 598 101 67 ALA C C 173.25 . . 599 101 67 ALA CB C 16.67 . . 600 101 67 ALA HA H 4.56 . . 601 101 67 ALA HB H 1.23 . . 602 102 68 GLY H H 7.79 . . 603 102 68 GLY N N 100.95 . . 604 102 68 GLY CA C 42.23 . . 605 102 68 GLY HA2 H 4.00 . . 606 102 68 GLY HA3 H 3.73 . . 607 102 68 GLY C C 171.51 . . 608 103 69 GLY H H 8.92 . . 609 103 69 GLY N N 105.43 . . 610 103 69 GLY CA C 41.65 . . 611 103 69 GLY HA2 H 4.55 . . 612 103 69 GLY HA3 H 3.76 . . 613 103 69 GLY C C 168.61 . . 614 104 70 PRO C C 173.56 . . 615 105 71 PHE H H 8.25 . . 616 105 71 PHE N N 120.57 . . 617 105 71 PHE CA C 55.79 . . 618 105 71 PHE C C 171.04 . . 619 105 71 PHE CB C 35.90 . . 620 105 71 PHE HB2 H 2.30 . . 621 105 71 PHE HB3 H 2.21 . . 622 105 71 PHE CD1 C 127.80 . . 623 105 71 PHE HD1 H 6.79 . . 624 105 71 PHE HE1 H 7.13 . . 625 105 71 PHE HA H 4.31 . . 626 105 71 PHE CE1 C 128.63 . . 627 106 72 ASN H H 8.95 . . 628 106 72 ASN N N 126.42 . . 629 106 72 ASN CA C 48.09 . . 630 106 72 ASN C C 171.24 . . 631 106 72 ASN CB C 35.70 . . 632 106 72 ASN HB2 H 2.54 . . 633 106 72 ASN HB3 H 1.45 . . 634 106 72 ASN HA H 4.91 . . 635 107 73 PRO CA C 61.18 . . 636 107 73 PRO C C 174.00 . . 637 107 73 PRO CB C 29.40 . . 638 107 73 PRO HA H 4.19 . . 639 108 74 LEU H H 7.70 . . 640 108 74 LEU N N 113.69 . . 641 108 74 LEU CA C 50.70 . . 642 108 74 LEU C C 173.19 . . 643 108 74 LEU CB C 36.66 . . 644 108 74 LEU HB2 H 1.54 . . 645 108 74 LEU HB3 H 1.44 . . 646 108 74 LEU CG C 25.14 . . 647 108 74 LEU CD1 C 21.69 . . 648 108 74 LEU CD2 C 19.59 . . 649 108 74 LEU HD1 H 0.74 . . 650 108 74 LEU HD2 H 0.60 . . 651 108 74 LEU HA H 4.32 . . 652 109 75 ASN H H 7.50 . . 653 109 75 ASN N N 114.37 . . 654 109 75 ASN CA C 51.96 . . 655 109 75 ASN C C 171.34 . . 656 109 75 ASN CB C 33.71 . . 657 109 75 ASN HB2 H 2.90 . . 658 109 75 ASN HB3 H 2.52 . . 659 109 75 ASN ND2 N 110.93 . . 660 109 75 ASN HD22 H 7.34 . . 661 109 75 ASN HD21 H 6.63 . . 662 109 75 ASN HA H 4.20 . . 663 110 76 LYS H H 8.35 . . 664 110 76 LYS N N 117.13 . . 665 110 76 LYS CA C 50.74 . . 666 110 76 LYS C C 174.70 . . 667 110 76 LYS CB C 31.78 . . 668 110 76 LYS HB2 H 1.64 . . 669 110 76 LYS CG C 22.04 . . 670 110 76 LYS HG3 H 0.91 . . 671 110 76 LYS CE C 39.26 . . 672 110 76 LYS HA H 4.71 . . 673 110 76 LYS HG2 H 1.10 . . 674 110 76 LYS CD C 25.03 . . 675 110 76 LYS HD2 H 1.37 . . 676 111 77 GLU H H 7.09 . . 677 111 77 GLU N N 113.69 . . 678 111 77 GLU CA C 53.05 . . 679 111 77 GLU C C 172.50 . . 680 111 77 GLU CB C 28.46 . . 681 111 77 GLU HB2 H 0.93 . . 682 111 77 GLU CG C 34.54 . . 683 111 77 GLU HG3 H 2.05 . . 684 111 77 GLU HA H 4.32 . . 685 111 77 GLU HG2 H 2.15 . . 686 112 78 HIS H H 7.97 . . 687 112 78 HIS N N 115.06 . . 688 112 78 HIS CA C 54.51 . . 689 112 78 HIS C C 173.16 . . 690 112 78 HIS CB C 29.72 . . 691 112 78 HIS HB2 H 2.54 . . 692 112 78 HIS CD2 C 116.81 . . 693 112 78 HIS HD1 H 6.90 . . 694 112 78 HIS CE1 C 139.57 . . 695 112 78 HIS HE1 H 8.74 . . 696 112 78 HIS HA H 2.80 . . 697 113 79 GLY H H 7.14 . . 698 113 79 GLY N N 108.52 . . 699 113 79 GLY CA C 41.97 . . 700 113 79 GLY HA2 H 3.60 . . 701 113 79 GLY HA3 H 2.68 . . 702 113 79 GLY C C 174.46 . . 703 114 80 PHE H H 7.83 . . 704 114 80 PHE N N 125.39 . . 705 114 80 PHE CA C 57.42 . . 706 114 80 PHE C C 173.95 . . 707 114 80 PHE CB C 36.59 . . 708 114 80 PHE HB2 H 1.93 . . 709 114 80 PHE CD1 C 127.40 . . 710 114 80 PHE HD1 H 6.93 . . 711 114 80 PHE HE1 H 6.70 . . 712 114 80 PHE HA H 3.87 . . 713 114 80 PHE CE1 C 125.12 . . 714 115 81 ASN H H 8.83 . . 715 115 81 ASN N N 111.28 . . 716 115 81 ASN ND2 N 110.24 . . 717 115 81 ASN HD21 H 7.03 . . 718 115 81 ASN HD22 H 7.75 . . 719 115 81 ASN CA C 49.45 . . 720 115 81 ASN C C 171.18 . . 721 115 81 ASN CB C 35.27 . . 722 115 81 ASN HB2 H 3.02 . . 723 115 81 ASN HB3 H 2.58 . . 724 115 81 ASN HA H 4.87 . . 725 116 82 ASN H H 7.45 . . 726 116 82 ASN N N 121.26 . . 727 116 82 ASN CA C 46.84 . . 728 116 82 ASN C C 173.05 . . 729 116 82 ASN CB C 37.49 . . 730 116 82 ASN HB2 H 3.17 . . 731 116 82 ASN HB3 H 2.99 . . 732 116 82 ASN HA H 4.71 . . 733 117 83 PRO CA C 62.01 . . 734 117 83 PRO C C 174.92 . . 735 117 83 PRO CB C 29.19 . . 736 117 83 PRO HB2 H 2.35 . . 737 117 83 PRO HB3 H 1.88 . . 738 117 83 PRO CG C 24.56 . . 739 117 83 PRO HG2 H 1.99 . . 740 117 83 PRO HA H 4.31 . . 741 117 83 PRO CD C 48.32 . . 742 117 83 PRO HD2 H 3.92 . . 743 118 84 MET H H 8.00 . . 744 118 84 MET N N 113.00 . . 745 118 84 MET CA C 50.73 . . 746 118 84 MET C C 174.32 . . 747 118 84 MET CB C 28.06 . . 748 118 84 MET HB2 H 2.11 . . 749 118 84 MET HB3 H 1.58 . . 750 118 84 MET CG C 29.92 . . 751 118 84 MET HG3 H 2.30 . . 752 118 84 MET HA H 4.65 . . 753 118 84 MET HG2 H 2.62 . . 754 119 85 GLY H H 8.14 . . 755 119 85 GLY N N 108.18 . . 756 119 85 GLY CA C 39.93 . . 757 119 85 GLY HA2 H 4.30 . . 758 119 85 GLY HA3 H 3.56 . . 759 119 85 GLY C C 169.74 . . 760 120 86 HIS H H 7.13 . . 761 120 86 HIS N N 113.70 . . 762 120 86 HIS CA C 51.62 . . 763 120 86 HIS C C 170.54 . . 764 120 86 HIS CB C 27.59 . . 765 120 86 HIS HB2 H 3.21 . . 766 120 86 HIS HB3 H 2.46 . . 767 120 86 HIS HA H 4.83 . . 768 121 87 HIS H H 6.66 . . 769 121 87 HIS N N 117.47 . . 770 121 87 HIS CA C 51.95 . . 771 121 87 HIS C C 173.92 . . 772 121 87 HIS CB C 26.93 . . 773 121 87 HIS HB2 H 3.61 . . 774 121 87 HIS HB3 H 3.10 . . 775 121 87 HIS HA H 4.21 . . 776 122 88 ALA H H 8.03 . . 777 122 88 ALA N N 126.07 . . 778 122 88 ALA CA C 52.08 . . 779 122 88 ALA C C 173.67 . . 780 122 88 ALA CB C 15.61 . . 781 122 88 ALA HA H 4.20 . . 782 122 88 ALA HB H 1.42 . . 783 123 89 GLY H H 7.41 . . 784 123 89 GLY N N 94.07 . . 785 123 89 GLY CA C 42.67 . . 786 123 89 GLY HA2 H 4.07 . . 787 123 89 GLY HA3 H 3.50 . . 788 123 89 GLY C C 168.79 . . 789 124 90 ASP H H 7.25 . . 790 124 90 ASP N N 121.26 . . 791 124 90 ASP CA C 52.88 . . 792 124 90 ASP C C 170.46 . . 793 124 90 ASP CB C 36.80 . . 794 124 90 ASP HB2 H 2.21 . . 795 124 90 ASP HB3 H 1.78 . . 796 124 90 ASP HA H 4.06 . . 797 125 91 LEU H H 6.92 . . 798 125 91 LEU N N 121.60 . . 799 125 91 LEU CA C 49.30 . . 800 125 91 LEU C C 171.18 . . 801 125 91 LEU CD2 C 22.16 . . 802 125 91 LEU HD2 H 0.07 . . 803 125 91 LEU CB C 39.73 . . 804 125 91 LEU HB2 H 1.53 . . 805 125 91 LEU CG C 23.84 . . 806 125 91 LEU CD1 C 20.57 . . 807 125 91 LEU HD1 H 0.82 . . 808 125 91 LEU HA H 5.06 . . 809 125 91 LEU HG H 1.38 . . 810 126 92 PRO CA C 59.77 . . 811 126 92 PRO C C 170.92 . . 812 126 92 PRO CB C 29.12 . . 813 126 92 PRO HB2 H 2.34 . . 814 126 92 PRO HB3 H 1.91 . . 815 126 92 PRO HA H 4.71 . . 816 126 92 PRO HD2 H 3.92 . . 817 127 93 ASN H H 8.25 . . 818 127 93 ASN N N 112.65 . . 819 127 93 ASN CA C 50.96 . . 820 127 93 ASN C C 174.51 . . 821 127 93 ASN CB C 36.59 . . 822 127 93 ASN HB2 H 2.45 . . 823 127 93 ASN HB3 H 2.27 . . 824 127 93 ASN HA H 4.96 . . 825 127 93 ASN ND2 N 111.97 . . 826 127 93 ASN HD21 H 7.63 . . 827 127 93 ASN HD22 H 6.93 . . 828 128 94 LEU H H 9.45 . . 829 128 94 LEU N N 120.57 . . 830 128 94 LEU CA C 50.84 . . 831 128 94 LEU C C 173.24 . . 832 128 94 LEU CB C 40.70 . . 833 128 94 LEU HB2 H 1.56 . . 834 128 94 LEU HB3 H 0.90 . . 835 128 94 LEU CG C 23.55 . . 836 128 94 LEU CD1 C 20.63 . . 837 128 94 LEU HD1 H 0.40 . . 838 128 94 LEU CD2 C 23.49 . . 839 128 94 LEU HD2 H 0.07 . . 840 128 94 LEU HA H 4.21 . . 841 128 94 LEU HG H 1.49 . . 842 129 95 GLU H H 8.62 . . 843 129 95 GLU N N 120.91 . . 844 129 95 GLU CA C 51.42 . . 845 129 95 GLU C C 172.71 . . 846 129 95 GLU CB C 25.48 . . 847 129 95 GLU HB2 H 1.74 . . 848 129 95 GLU CG C 32.07 . . 849 129 95 GLU HG3 H 2.04 . . 850 129 95 GLU HA H 4.78 . . 851 129 95 GLU HG2 H 2.12 . . 852 130 96 VAL H H 8.72 . . 853 130 96 VAL N N 125.73 . . 854 130 96 VAL CA C 60.14 . . 855 130 96 VAL C C 175.39 . . 856 130 96 VAL CB C 28.89 . . 857 130 96 VAL CG1 C 20.57 . . 858 130 96 VAL HG1 H 0.74 . . 859 130 96 VAL CG2 C 19.33 . . 860 130 96 VAL HG2 H 0.58 . . 861 130 96 VAL HA H 3.43 . . 862 130 96 VAL HB H 2.08 . . 863 131 97 GLY H H 8.33 . . 864 131 97 GLY N N 112.31 . . 865 131 97 GLY CA C 42.23 . . 866 131 97 GLY HA2 H 4.28 . . 867 131 97 GLY HA3 H 4.11 . . 868 131 97 GLY C C 173.51 . . 869 132 98 ALA CA C 51.75 . . 870 132 98 ALA C C 174.25 . . 871 132 98 ALA CB C 15.34 . . 872 132 98 ALA HA H 4.00 . . 873 132 98 ALA HB H 1.36 . . 874 133 99 ASP H H 8.19 . . 875 133 99 ASP N N 112.31 . . 876 133 99 ASP CA C 49.35 . . 877 133 99 ASP C C 174.84 . . 878 133 99 ASP CB C 37.38 . . 879 133 99 ASP HB2 H 2.90 . . 880 133 99 ASP HB3 H 2.53 . . 881 133 99 ASP HA H 4.40 . . 882 134 100 GLY H H 7.93 . . 883 134 100 GLY N N 106.80 . . 884 134 100 GLY CA C 43.80 . . 885 134 100 GLY HA2 H 4.01 . . 886 134 100 GLY HA3 H 3.34 . . 887 134 100 GLY C C 169.21 . . 888 135 101 LYS H H 7.10 . . 889 135 101 LYS N N 113.34 . . 890 135 101 LYS CA C 51.68 . . 891 135 101 LYS C C 173.61 . . 892 135 101 LYS CB C 32.64 . . 893 135 101 LYS HB2 H 1.74 . . 894 135 101 LYS HB3 H 1.66 . . 895 135 101 LYS CG C 23.14 . . 896 135 101 LYS HG3 H 1.04 . . 897 135 101 LYS HA H 5.09 . . 898 135 101 LYS HG2 H 1.14 . . 899 135 101 LYS CD C 26.66 . . 900 135 101 LYS HD2 H 1.53 . . 901 136 102 VAL H H 8.33 . . 902 136 102 VAL N N 117.13 . . 903 136 102 VAL CA C 57.46 . . 904 136 102 VAL C C 173.07 . . 905 136 102 VAL CB C 33.10 . . 906 136 102 VAL CG1 C 19.66 . . 907 136 102 VAL HG1 H 0.66 . . 908 136 102 VAL CG2 C 18.57 . . 909 136 102 VAL HG2 H 0.65 . . 910 136 102 VAL HA H 4.25 . . 911 136 102 VAL HB H 1.65 . . 912 137 103 ASP H H 8.50 . . 913 137 103 ASP N N 125.73 . . 914 137 103 ASP CA C 51.11 . . 915 137 103 ASP C C 172.21 . . 916 137 103 ASP CB C 38.29 . . 917 137 103 ASP HB2 H 2.76 . . 918 137 103 ASP HB3 H 2.44 . . 919 137 103 ASP HA H 5.55 . . 920 138 104 VAL H H 8.63 . . 921 138 104 VAL N N 119.88 . . 922 138 104 VAL CA C 57.13 . . 923 138 104 VAL C C 170.22 . . 924 138 104 VAL CB C 33.65 . . 925 138 104 VAL CG1 C 18.24 . . 926 138 104 VAL HG1 H 0.88 . . 927 138 104 VAL CG2 C 18.24 . . 928 138 104 VAL HG2 H 0.81 . . 929 138 104 VAL HA H 4.66 . . 930 138 104 VAL HB H 1.95 . . 931 139 105 ILE H H 8.13 . . 932 139 105 ILE N N 123.32 . . 933 139 105 ILE CA C 56.96 . . 934 139 105 ILE C C 173.00 . . 935 139 105 ILE CB C 36.37 . . 936 139 105 ILE CG2 C 14.64 . . 937 139 105 ILE HG2 H 0.78 . . 938 139 105 ILE CG1 C 25.32 . . 939 139 105 ILE CD1 C 10.64 . . 940 139 105 ILE HD1 H 0.58 . . 941 139 105 ILE HA H 5.21 . . 942 139 105 ILE HB H 1.53 . . 943 139 105 ILE HG12 H 1.50 . . 944 140 106 MET H H 9.25 . . 945 140 106 MET N N 124.35 . . 946 140 106 MET CA C 50.78 . . 947 140 106 MET C C 170.59 . . 948 140 106 MET CB C 33.70 . . 949 140 106 MET HB2 H 2.09 . . 950 140 106 MET HB3 H 1.85 . . 951 140 106 MET CG C 28.34 . . 952 140 106 MET HG3 H 2.34 . . 953 140 106 MET HA H 4.83 . . 954 140 106 MET HG2 H 2.53 . . 955 141 107 ASN H H 8.71 . . 956 141 107 ASN N N 120.22 . . 957 141 107 ASN CA C 50.41 . . 958 141 107 ASN C C 170.00 . . 959 141 107 ASN CB C 39.68 . . 960 141 107 ASN HB2 H 2.84 . . 961 141 107 ASN HB3 H 2.36 . . 962 141 107 ASN HA H 5.41 . . 963 141 107 ASN ND2 N 109.21 . . 964 141 107 ASN HD21 H 7.20 . . 965 141 107 ASN HD22 H 7.40 . . 966 142 108 ALA H H 9.27 . . 967 142 108 ALA N N 128.14 . . 968 142 108 ALA CA C 45.95 . . 969 142 108 ALA C C 173.01 . . 970 142 108 ALA CB C 16.99 . . 971 142 108 ALA HA H 5.01 . . 972 142 108 ALA HB H 1.24 . . 973 143 109 PRO CA C 62.28 . . 974 143 109 PRO C C 173.63 . . 975 143 109 PRO CB C 29.59 . . 976 143 109 PRO HB2 H 2.17 . . 977 143 109 PRO HB3 H 1.83 . . 978 143 109 PRO HD2 H 3.87 . . 979 143 109 PRO HD3 H 3.56 . . 980 143 109 PRO CG C 24.09 . . 981 143 109 PRO HG2 H 1.94 . . 982 143 109 PRO HA H 4.21 . . 983 143 109 PRO CD C 48.36 . . 984 144 110 ASP H H 8.39 . . 985 144 110 ASP N N 118.16 . . 986 144 110 ASP CA C 50.64 . . 987 144 110 ASP C C 169.71 . . 988 144 110 ASP CB C 38.18 . . 989 144 110 ASP HB2 H 2.88 . . 990 144 110 ASP HB3 H 2.69 . . 991 144 110 ASP HA H 4.92 . . 992 145 111 THR H H 6.68 . . 993 145 111 THR N N 98.54 . . 994 145 111 THR CA C 57.18 . . 995 145 111 THR C C 171.00 . . 996 145 111 THR CB C 70.72 . . 997 145 111 THR HG2 H 0.84 . . 998 145 111 THR HA H 4.92 . . 999 145 111 THR HB H 3.72 . . 1000 145 111 THR CG2 C 20.66 . . 1001 146 112 SER H H 7.23 . . 1002 146 112 SER N N 110.93 . . 1003 146 112 SER CA C 53.59 . . 1004 146 112 SER C C 169.23 . . 1005 146 112 SER CB C 62.66 . . 1006 146 112 SER HB2 H 3.74 . . 1007 146 112 SER HB3 H 2.87 . . 1008 146 112 SER HA H 4.27 . . 1009 147 113 LEU H H 9.06 . . 1010 147 113 LEU N N 122.29 . . 1011 147 113 LEU CA C 51.32 . . 1012 147 113 LEU C C 174.94 . . 1013 147 113 LEU CB C 39.64 . . 1014 147 113 LEU HB2 H 1.64 . . 1015 147 113 LEU HB3 H 1.35 . . 1016 147 113 LEU CD1 C 22.79 . . 1017 147 113 LEU HD1 H 0.67 . . 1018 147 113 LEU CD2 C 20.43 . . 1019 147 113 LEU HD2 H 0.53 . . 1020 147 113 LEU HA H 4.81 . . 1021 147 113 LEU HG H 1.52 . . 1022 148 114 LYS H H 8.46 . . 1023 148 114 LYS N N 121.26 . . 1024 148 114 LYS CA C 53.27 . . 1025 148 114 LYS C C 173.55 . . 1026 148 114 LYS CB C 29.77 . . 1027 148 114 LYS HB2 H 1.60 . . 1028 148 114 LYS CG C 21.86 . . 1029 148 114 LYS HG2 H 1.36 . . 1030 148 114 LYS CE C 39.44 . . 1031 148 114 LYS HA H 4.05 . . 1032 148 114 LYS CD C 26.13 . . 1033 148 114 LYS HD2 H 1.53 . . 1034 148 114 LYS HE2 H 2.88 . . 1035 149 115 LYS H H 8.36 . . 1036 149 115 LYS N N 124.01 . . 1037 149 115 LYS CA C 55.38 . . 1038 149 115 LYS C C 175.31 . . 1039 149 115 LYS CB C 29.20 . . 1040 149 115 LYS HB2 H 1.72 . . 1041 149 115 LYS HB3 H 1.63 . . 1042 149 115 LYS CG C 22.17 . . 1043 149 115 LYS HG2 H 1.38 . . 1044 149 115 LYS HG3 H 1.31 . . 1045 149 115 LYS CE C 39.19 . . 1046 149 115 LYS HA H 4.04 . . 1047 149 115 LYS CD C 26.11 . . 1048 149 115 LYS HD2 H 1.57 . . 1049 150 116 GLY CA C 42.11 . . 1050 150 116 GLY HA2 H 4.26 . . 1051 150 116 GLY HA3 H 3.76 . . 1052 150 116 GLY C C 171.74 . . 1053 151 117 SER H H 7.59 . . 1054 151 117 SER N N 113.00 . . 1055 151 117 SER CA C 54.16 . . 1056 151 117 SER C C 175.03 . . 1057 151 117 SER CB C 60.90 . . 1058 151 117 SER HB2 H 3.81 . . 1059 151 117 SER HB3 H 3.72 . . 1060 151 117 SER HA H 4.45 . . 1061 152 118 LYS CA C 55.59 . . 1062 152 118 LYS C C 173.67 . . 1063 152 118 LYS CB C 29.41 . . 1064 152 118 LYS HB2 H 1.69 . . 1065 152 118 LYS HB3 H 1.62 . . 1066 152 118 LYS CG C 22.17 . . 1067 152 118 LYS HG2 H 1.42 . . 1068 152 118 LYS CE C 39.72 . . 1069 152 118 LYS HA H 4.06 . . 1070 152 118 LYS CD C 26.11 . . 1071 152 118 LYS HD2 H 1.58 . . 1072 152 118 LYS HD3 H 1.35 . . 1073 152 118 LYS HE2 H 2.84 . . 1074 153 119 LEU H H 8.02 . . 1075 153 119 LEU N N 114.37 . . 1076 153 119 LEU CA C 50.57 . . 1077 153 119 LEU C C 172.37 . . 1078 153 119 LEU CB C 36.69 . . 1079 153 119 LEU HB2 H 1.70 . . 1080 153 119 LEU HB3 H 1.15 . . 1081 153 119 LEU CG C 23.87 . . 1082 153 119 LEU CD1 C 21.94 . . 1083 153 119 LEU HD1 H 0.69 . . 1084 153 119 LEU HA H 4.21 . . 1085 153 119 LEU HG H 1.35 . . 1086 153 119 LEU CD2 C 17.97 . . 1087 153 119 LEU HD2 H 0.50 . . 1088 154 120 ASN H H 6.79 . . 1089 154 120 ASN N N 114.03 . . 1090 154 120 ASN CA C 49.67 . . 1091 154 120 ASN C C 173.77 . . 1092 154 120 ASN CB C 35.94 . . 1093 154 120 ASN HB2 H 3.07 . . 1094 154 120 ASN HB3 H 2.58 . . 1095 154 120 ASN HA H 4.26 . . 1096 154 120 ASN ND2 N 106.46 . . 1097 154 120 ASN HD21 H 5.68 . . 1098 154 120 ASN HD22 H 7.47 . . 1099 155 121 ILE H H 8.38 . . 1100 155 121 ILE N N 116.78 . . 1101 155 121 ILE CA C 57.82 . . 1102 155 121 ILE C C 173.69 . . 1103 155 121 ILE CB C 35.95 . . 1104 155 121 ILE CG2 C 14.67 . . 1105 155 121 ILE HG2 H 0.50 . . 1106 155 121 ILE CG1 C 21.84 . . 1107 155 121 ILE CD1 C 12.65 . . 1108 155 121 ILE HD1 H 0.04 . . 1109 155 121 ILE HA H 3.71 . . 1110 155 121 ILE HB H 1.31 . . 1111 155 121 ILE HG12 H 1.00 . . 1112 156 122 LEU H H 7.97 . . 1113 156 122 LEU N N 131.58 . . 1114 156 122 LEU CA C 48.86 . . 1115 156 122 LEU C C 172.80 . . 1116 156 122 LEU CB C 39.11 . . 1117 156 122 LEU HB2 H 2.02 . . 1118 156 122 LEU HB3 H 0.77 . . 1119 156 122 LEU CG C 24.20 . . 1120 156 122 LEU CD1 C 23.32 . . 1121 156 122 LEU HD1 H 0.76 . . 1122 156 122 LEU CD2 C 20.91 . . 1123 156 122 LEU HD2 H 0.57 . . 1124 156 122 LEU HA H 4.43 . . 1125 156 122 LEU HG H 1.61 . . 1126 157 123 ASP H H 6.87 . . 1127 157 123 ASP N N 119.19 . . 1128 157 123 ASP CA C 48.99 . . 1129 157 123 ASP C C 174.16 . . 1130 157 123 ASP CB C 36.43 . . 1131 157 123 ASP HB2 H 3.09 . . 1132 157 123 ASP HB3 H 2.38 . . 1133 157 123 ASP HA H 4.42 . . 1134 158 124 GLU CA C 57.90 . . 1135 158 124 GLU C C 174.49 . . 1136 158 124 GLU CB C 26.25 . . 1137 158 124 GLU HB2 H 1.97 . . 1138 158 124 GLU HB3 H 1.89 . . 1139 158 124 GLU CG C 33.94 . . 1140 158 124 GLU HG2 H 2.29 . . 1141 158 124 GLU HG3 H 2.23 . . 1142 158 124 GLU HA H 3.87 . . 1143 159 125 ASP H H 7.43 . . 1144 159 125 ASP N N 111.28 . . 1145 159 125 ASP CA C 48.93 . . 1146 159 125 ASP C C 174.62 . . 1147 159 125 ASP CB C 37.49 . . 1148 159 125 ASP HB2 H 2.96 . . 1149 159 125 ASP HB3 H 2.46 . . 1150 159 125 ASP HA H 4.66 . . 1151 160 126 GLY H H 7.53 . . 1152 160 126 GLY N N 109.56 . . 1153 160 126 GLY CA C 42.26 . . 1154 160 126 GLY HA2 H 4.63 . . 1155 160 126 GLY HA3 H 3.65 . . 1156 160 126 GLY C C 170.19 . . 1157 161 127 SER H H 8.60 . . 1158 161 127 SER N N 112.31 . . 1159 161 127 SER CA C 54.99 . . 1160 161 127 SER C C 167.05 . . 1161 161 127 SER CB C 63.91 . . 1162 161 127 SER HB2 H 3.45 . . 1163 161 127 SER HB3 H 2.76 . . 1164 161 127 SER HA H 4.56 . . 1165 162 128 ALA H H 7.92 . . 1166 162 128 ALA N N 122.29 . . 1167 162 128 ALA CA C 47.03 . . 1168 162 128 ALA C C 172.86 . . 1169 162 128 ALA CB C 19.60 . . 1170 162 128 ALA HA H 5.40 . . 1171 162 128 ALA HB H 1.34 . . 1172 163 129 PHE H H 9.24 . . 1173 163 129 PHE N N 120.57 . . 1174 163 129 PHE CA C 54.53 . . 1175 163 129 PHE C C 171.48 . . 1176 163 129 PHE CB C 38.31 . . 1177 163 129 PHE HB2 H 2.67 . . 1178 163 129 PHE CD1 C 128.60 . . 1179 163 129 PHE HD1 H 6.80 . . 1180 163 129 PHE HE1 H 6.82 . . 1181 163 129 PHE HA H 4.47 . . 1182 163 129 PHE CE1 C 127.82 . . 1183 164 130 ILE H H 8.78 . . 1184 164 130 ILE N N 122.29 . . 1185 164 130 ILE CA C 56.06 . . 1186 164 130 ILE C C 171.68 . . 1187 164 130 ILE CB C 38.09 . . 1188 164 130 ILE CG2 C 13.47 . . 1189 164 130 ILE HG2 H 0.27 . . 1190 164 130 ILE CG1 C 26.39 . . 1191 164 130 ILE CD1 C 10.75 . . 1192 164 130 ILE HD1 H 0.35 . . 1193 164 130 ILE HA H 5.23 . . 1194 164 130 ILE HB H 1.98 . . 1195 164 130 ILE HG12 H 1.39 . . 1196 165 131 ILE H H 8.06 . . 1197 165 131 ILE N N 123.67 . . 1198 165 131 ILE CA C 56.97 . . 1199 165 131 ILE C C 172.45 . . 1200 165 131 ILE CB C 36.90 . . 1201 165 131 ILE CG2 C 15.73 . . 1202 165 131 ILE HG2 H 0.99 . . 1203 165 131 ILE CG1 C 24.47 . . 1204 165 131 ILE CD1 C 10.31 . . 1205 165 131 ILE HD1 H 0.29 . . 1206 165 131 ILE HA H 5.15 . . 1207 165 131 ILE HB H 1.33 . . 1208 165 131 ILE HG12 H 1.42 . . 1209 166 132 HIS H H 9.46 . . 1210 166 132 HIS N N 127.80 . . 1211 166 132 HIS CA C 53.23 . . 1212 166 132 HIS C C 170.95 . . 1213 166 132 HIS CB C 29.22 . . 1214 166 132 HIS HB2 H 3.81 . . 1215 166 132 HIS HB3 H 2.71 . . 1216 166 132 HIS HA H 5.23 . . 1217 167 133 GLU H H 8.13 . . 1218 167 133 GLU N N 113.00 . . 1219 167 133 GLU CA C 55.23 . . 1220 167 133 GLU C C 172.86 . . 1221 167 133 GLU CB C 28.84 . . 1222 167 133 GLU HB2 H 2.14 . . 1223 167 133 GLU HB3 H 2.04 . . 1224 167 133 GLU CG C 33.47 . . 1225 167 133 GLU HG2 H 2.56 . . 1226 167 133 GLU HG3 H 2.20 . . 1227 167 133 GLU HA H 3.99 . . 1228 168 134 GLN H H 8.48 . . 1229 168 134 GLN N N 114.72 . . 1230 168 134 GLN CA C 50.32 . . 1231 168 134 GLN C C 171.21 . . 1232 168 134 GLN CB C 27.43 . . 1233 168 134 GLN HB2 H 2.19 . . 1234 168 134 GLN HB3 H 1.83 . . 1235 168 134 GLN CG C 29.65 . . 1236 168 134 GLN HG2 H 2.36 . . 1237 168 134 GLN HG3 H 2.16 . . 1238 168 134 GLN NE2 N 109.56 . . 1239 168 134 GLN HE22 H 7.42 . . 1240 168 134 GLN HE21 H 6.65 . . 1241 168 134 GLN HA H 4.59 . . 1242 169 135 ALA H H 7.67 . . 1243 169 135 ALA N N 121.26 . . 1244 169 135 ALA CA C 50.54 . . 1245 169 135 ALA C C 173.34 . . 1246 169 135 ALA CB C 16.12 . . 1247 169 135 ALA HA H 3.65 . . 1248 169 135 ALA HB H 1.01 . . 1249 170 136 ASP H H 8.49 . . 1250 170 136 ASP N N 119.88 . . 1251 170 136 ASP CA C 49.90 . . 1252 170 136 ASP C C 174.24 . . 1253 170 136 ASP CB C 40.41 . . 1254 170 136 ASP HB2 H 3.42 . . 1255 170 136 ASP HB3 H 2.68 . . 1256 170 136 ASP HA H 4.55 . . 1257 171 137 ASP H H 9.76 . . 1258 171 137 ASP N N 127.11 . . 1259 171 137 ASP CA C 51.18 . . 1260 171 137 ASP C C 173.64 . . 1261 171 137 ASP CB C 36.53 . . 1262 171 137 ASP HB2 H 2.94 . . 1263 171 137 ASP HB3 H 2.61 . . 1264 171 137 ASP HA H 3.96 . . 1265 172 138 TYR H H 10.09 . . 1266 172 138 TYR N N 113.34 . . 1267 172 138 TYR CA C 52.34 . . 1268 172 138 TYR C C 172.82 . . 1269 172 138 TYR CB C 32.38 . . 1270 172 138 TYR HB2 H 3.61 . . 1271 172 138 TYR HB3 H 3.19 . . 1272 172 138 TYR CD1 C 130.52 . . 1273 172 138 TYR HD1 H 6.98 . . 1274 172 138 TYR HE1 H 7.36 . . 1275 172 138 TYR HA H 4.28 . . 1276 172 138 TYR CE1 C 111.80 . . 1277 173 139 LEU H H 9.11 . . 1278 173 139 LEU N N 117.47 . . 1279 173 139 LEU CA C 54.75 . . 1280 173 139 LEU C C 172.90 . . 1281 173 139 LEU CB C 45.17 . . 1282 173 139 LEU CD2 C 20.98 . . 1283 173 139 LEU HD2 H 0.75 . . 1284 173 139 LEU HB2 H 1.32 . . 1285 173 139 LEU HB3 H 1.22 . . 1286 173 139 LEU CG C 23.72 . . 1287 173 139 LEU CD1 C 22.37 . . 1288 173 139 LEU HD1 H 0.74 . . 1289 173 139 LEU HA H 4.48 . . 1290 173 139 LEU HG H 1.37 . . 1291 174 140 THR H H 9.92 . . 1292 174 140 THR N N 116.78 . . 1293 174 140 THR CA C 61.24 . . 1294 174 140 THR C C 171.66 . . 1295 174 140 THR CB C 65.82 . . 1296 174 140 THR HG2 H 1.16 . . 1297 174 140 THR HA H 3.89 . . 1298 174 140 THR HB H 3.80 . . 1299 174 140 THR CG2 C 19.17 . . 1300 175 141 ASN H H 9.06 . . 1301 175 141 ASN N N 124.01 . . 1302 175 141 ASN CA C 49.04 . . 1303 175 141 ASN C C 172.30 . . 1304 175 141 ASN CB C 37.62 . . 1305 175 141 ASN HB2 H 2.70 . . 1306 175 141 ASN HB3 H 2.55 . . 1307 175 141 ASN ND2 N 111.28 . . 1308 175 141 ASN HD21 H 6.84 . . 1309 175 141 ASN HD22 H 7.52 . . 1310 175 141 ASN HA H 4.81 . . 1311 176 142 PRO CA C 61.43 . . 1312 176 142 PRO C C 173.75 . . 1313 176 142 PRO CB C 32.37 . . 1314 177 143 SER H H 7.89 . . 1315 177 143 SER N N 115.01 . . 1316 177 143 SER CA C 54.39 . . 1317 177 143 SER C C 171.27 . . 1318 177 143 SER CB C 61.94 . . 1319 177 143 SER HB2 H 3.53 . . 1320 177 143 SER HB3 H 3.48 . . 1321 177 143 SER HA H 3.68 . . 1322 178 144 GLY H H 8.49 . . 1323 178 144 GLY N N 111.62 . . 1324 178 144 GLY CA C 43.98 . . 1325 178 144 GLY HA2 H 4.37 . . 1326 178 144 GLY HA3 H 4.13 . . 1327 178 144 GLY C C 171.73 . . 1328 179 145 ASN H H 8.60 . . 1329 179 145 ASN N N 110.93 . . 1330 179 145 ASN CA C 50.74 . . 1331 179 145 ASN C C 172.64 . . 1332 179 145 ASN CB C 34.34 . . 1333 179 145 ASN HB2 H 2.47 . . 1334 179 145 ASN HB3 H 3.19 . . 1335 179 145 ASN ND2 N 111.62 . . 1336 179 145 ASN HD21 H 7.46 . . 1337 179 145 ASN HD22 H 6.71 . . 1338 179 145 ASN HA H 4.18 . . 1339 180 146 SER H H 6.83 . . 1340 180 146 SER N N 108.52 . . 1341 180 146 SER CA C 56.04 . . 1342 180 146 SER C C 171.45 . . 1343 180 146 SER CB C 60.88 . . 1344 180 146 SER HB2 H 3.19 . . 1345 180 146 SER HA H 3.88 . . 1346 181 147 GLY H H 7.88 . . 1347 181 147 GLY N N 106.80 . . 1348 181 147 GLY CA C 42.45 . . 1349 181 147 GLY HA2 H 4.02 . . 1350 181 147 GLY HA3 H 3.64 . . 1351 181 147 GLY C C 173.02 . . 1352 182 148 ALA H H 9.07 . . 1353 182 148 ALA N N 123.67 . . 1354 182 148 ALA CA C 49.86 . . 1355 182 148 ALA C C 173.97 . . 1356 182 148 ALA CB C 16.40 . . 1357 182 148 ALA HA H 4.11 . . 1358 182 148 ALA HB H 1.24 . . 1359 183 149 ARG H H 8.38 . . 1360 183 149 ARG N N 118.50 . . 1361 183 149 ARG CA C 53.16 . . 1362 183 149 ARG C C 173.06 . . 1363 183 149 ARG CB C 27.02 . . 1364 183 149 ARG HB2 H 1.26 . . 1365 183 149 ARG HG2 H 1.01 . . 1366 183 149 ARG HA H 3.53 . . 1367 184 150 ILE H H 8.72 . . 1368 184 150 ILE N N 115.06 . . 1369 184 150 ILE CA C 59.58 . . 1370 184 150 ILE C C 172.53 . . 1371 184 150 ILE CB C 37.56 . . 1372 184 150 ILE CG2 C 16.21 . . 1373 184 150 ILE HG2 H 0.82 . . 1374 184 150 ILE CG1 C 24.33 . . 1375 184 150 ILE CD1 C 11.83 . . 1376 184 150 ILE HD1 H 0.70 . . 1377 184 150 ILE HA H 4.73 . . 1378 184 150 ILE HB H 1.91 . . 1379 184 150 ILE HG12 H 1.22 . . 1380 185 151 VAL H H 7.60 . . 1381 185 151 VAL N N 120.22 . . 1382 185 151 VAL CA C 57.63 . . 1383 185 151 VAL C C 170.33 . . 1384 185 151 VAL CB C 33.47 . . 1385 185 151 VAL CG1 C 19.76 . . 1386 185 151 VAL HG1 H 0.75 . . 1387 185 151 VAL CG2 C 21.70 . . 1388 185 151 VAL HG2 H 0.53 . . 1389 185 151 VAL HA H 4.64 . . 1390 185 151 VAL HB H 1.59 . . 1391 186 152 CYS H H 8.49 . . 1392 186 152 CYS N N 125.46 . . 1393 186 152 CYS CA C 51.88 . . 1394 186 152 CYS C C 170.07 . . 1395 186 152 CYS CB C 34.18 . . 1396 186 152 CYS HB2 H 1.40 . . 1397 186 152 CYS HB3 H 0.52 . . 1398 186 152 CYS HA H 5.06 . . 1399 187 153 GLY H H 9.09 . . 1400 187 153 GLY N N 115.41 . . 1401 187 153 GLY CA C 44.03 . . 1402 187 153 GLY HA2 H 4.79 . . 1403 187 153 GLY HA3 H 3.15 . . 1404 187 153 GLY C C 168.66 . . 1405 188 154 ALA H H 8.85 . . 1406 188 154 ALA N N 127.80 . . 1407 188 154 ALA CA C 48.85 . . 1408 188 154 ALA C C 171.39 . . 1409 188 154 ALA CB C 16.90 . . 1410 188 154 ALA HA H 4.52 . . 1411 188 154 ALA HB H 1.04 . . 1412 189 155 LEU H H 9.01 . . 1413 189 155 LEU N N 126.07 . . 1414 189 155 LEU CA C 51.13 . . 1415 189 155 LEU C C 170.80 . . 1416 189 155 LEU CB C 40.62 . . 1417 189 155 LEU HB2 H 1.84 . . 1418 189 155 LEU HB3 H 1.02 . . 1419 189 155 LEU CG C 23.99 . . 1420 189 155 LEU CD1 C 20.49 . . 1421 189 155 LEU HD1 H 0.84 . . 1422 189 155 LEU CD2 C 23.77 . . 1423 189 155 LEU HD2 H 0.53 . . 1424 189 155 LEU HA H 4.54 . . 1425 189 155 LEU HG H 1.32 . . 1426 190 156 LEU H H 8.13 . . 1427 190 156 LEU N N 125.04 . . 1428 190 156 LEU CA C 51.72 . . 1429 190 156 LEU C C 174.12 . . 1430 190 156 LEU CB C 41.66 . . 1431 190 156 LEU HB2 H 1.55 . . 1432 190 156 LEU CG C 24.23 . . 1433 190 156 LEU CD1 C 22.05 . . 1434 190 156 LEU HD1 H 0.87 . . 1435 190 156 LEU CD2 C 21.23 . . 1436 190 156 LEU HD2 H 0.84 . . 1437 190 156 LEU HA H 4.36 . . 1438 190 156 LEU HG H 1.58 . . 1439 191 157 GLY H H 8.43 . . 1440 191 157 GLY N N 106.80 . . 1441 191 157 GLY CA C 42.07 . . 1442 191 157 GLY HA2 H 4.01 . . 1443 191 157 GLY HA3 H 3.68 . . 1444 191 157 GLY C C 170.74 . . 1445 192 158 ASN H H 8.11 . . 1446 192 158 ASN N N 117.13 . . 1447 192 158 ASN CA C 50.34 . . 1448 192 158 ASN HA H 4.62 . . 1449 192 158 ASN CB C 36.31 . . 1450 192 158 ASN HB2 H 2.73 . . stop_ save_