data_5067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Lipoyl Domain of the Chimeric Dihydrolipoyl Dehydrogenase P64K from Neisseria meningitidis ; _BMRB_accession_number 5067 _BMRB_flat_file_name bmr5067.str _Entry_type original _Submission_date 2001-07-02 _Accession_date 2001-07-02 _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 Tozawa Kaeko . . 2 Broadhurst Richard W. . 3 Raine Andrew R.C. . 4 Fuller Christopher . . 5 Alvarez Anabel . . 6 Guillen Gerardo . . 7 Padron Gabriel . . 8 Perham Richard N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 429 "13C chemical shifts" 265 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-14 original author . stop_ _Original_release_date 2001-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Lipoyl Domain of the Chimeric Dihydrolipoyl Dehydrogenase P64K from Neisseria meningitidis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21443460 _PubMed_ID 11559360 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tozawa Kaeko . . 2 Broadhurst Richard W. . 3 Raine Andrew R.C. . 4 Fuller Christopher . . 5 Alvarez Anabel . . 6 Guillen Gerardo . . 7 Padron Gabriel . . 8 Perham Richard N. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 268 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4908 _Page_last 4917 _Year 2001 _Details . loop_ _Keyword 'lipoyl domain' 'dihydrolipoyl dehydrogenase' 'multienzyme complex' 'Neisseria meningitidis' 'post-translational modification' stop_ save_ ################################## # Molecular system description # ################################## save_system_p64K_lipoyl_domain _Saveframe_category molecular_system _Mol_system_name 'lipoyl domain of dihydrolipoyl dehydrogenase P64K' _Abbreviation_common 'p64K lipoyl domain' _Enzyme_commission_number 1.8.1.4 loop_ _Mol_system_component_name _Mol_label 'p64K lipoyl domain' $lip 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_lip _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'lipoyl domain' _Abbreviation_common lip _Molecular_mass 8323 _Mol_thiol_state 'not present' _Details 'Unlabelled mass' ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; ALVELKVPDIGGHENVDIIA VEVNVGDTIAVDDTLITLET DKATMDVPAEVAGVVKEVKV KVGDKISEGGLIVVVEAEGT A ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LEU 3 VAL 4 GLU 5 LEU 6 LYS 7 VAL 8 PRO 9 ASP 10 ILE 11 GLY 12 GLY 13 HIS 14 GLU 15 ASN 16 VAL 17 ASP 18 ILE 19 ILE 20 ALA 21 VAL 22 GLU 23 VAL 24 ASN 25 VAL 26 GLY 27 ASP 28 THR 29 ILE 30 ALA 31 VAL 32 ASP 33 ASP 34 THR 35 LEU 36 ILE 37 THR 38 LEU 39 GLU 40 THR 41 ASP 42 LYS 43 ALA 44 THR 45 MET 46 ASP 47 VAL 48 PRO 49 ALA 50 GLU 51 VAL 52 ALA 53 GLY 54 VAL 55 VAL 56 LYS 57 GLU 58 VAL 59 LYS 60 VAL 61 LYS 62 VAL 63 GLY 64 ASP 65 LYS 66 ILE 67 SER 68 GLU 69 GLY 70 GLY 71 LEU 72 ILE 73 VAL 74 VAL 75 VAL 76 GLU 77 ALA 78 GLU 79 GLY 80 THR 81 ALA 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 1GJX "Solution Structure Of The Lipoyl Domain Of The Chimeric Dihydrolipoyl Dehydrogenase P64k From Neisseria Meningitidis" 100.00 81 100.00 100.00 1.57e-43 EMBL CAA54878 "outer membrane protein p64k or PM-6 [Neisseria meningitidis]" 100.00 594 100.00 100.00 1.94e-40 EMBL CAA57206 "outer membrane protein P64k or PM-6 [Neisseria meningitidis]" 100.00 593 97.53 98.77 1.34e-39 EMBL CAA59171 "outer mambrane protein P64k or PM-6 [Neisseria meningitidis]" 100.00 594 100.00 100.00 2.06e-40 EMBL CAA61894 "outer membrane protein P64k or PM-6 [Neisseria meningitidis]" 96.30 593 98.72 98.72 1.69e-26 EMBL CAA61895 "outer membrane protein P64k or PM-6 [Neisseria meningitidis]" 100.00 594 97.53 97.53 1.22e-38 GB AAF41719 "pyruvate dehydrogenase, E3 component, lipoamide dehydrogenase [Neisseria meningitidis MC58]" 100.00 594 100.00 100.00 1.98e-40 GB AAW89295 "putative dihydrolipoamide dehydrogenase [Neisseria gonorrhoeae FA 1090]" 100.00 594 97.53 98.77 1.54e-39 GB ABX73429 "dihydrolipoamide dehydrogenase (E3 component of pyruvate and 2-oxoglutarate dehydrogenase complexes) [Neisseria meningitidis 05" 100.00 594 98.77 100.00 4.44e-40 GB ACF30036 "putative dihydrolipoamide dehydrogenase [Neisseria gonorrhoeae NCCP11945]" 100.00 594 97.53 98.77 1.34e-39 GB ADO31781 "dihydrolipoamide dehydrogenase (E3 component of pyruvate and 2-oxoglutarate dehydrogenase complexes) [Neisseria meningitidis al" 100.00 595 100.00 100.00 1.99e-40 REF NP_274363 "dihydrolipoamide dehydrogenase (E3 component of pyruvate and 2-oxoglutarate dehydrogenase complexes) [Neisseria meningitidis MC" 100.00 594 100.00 100.00 1.98e-40 REF WP_002213261 "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" 100.00 594 98.77 100.00 4.90e-40 REF WP_002217021 "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" 100.00 594 98.77 100.00 4.81e-40 REF WP_002219145 "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" 100.00 595 100.00 100.00 1.99e-40 REF WP_002220847 "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" 100.00 595 97.53 98.77 2.10e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lip 'Neisseria meningitidis' 487 Eubacteria . Neisseria meningitidis 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 $lip '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 $lip 2 mM '[U-2H; U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_ansig _Saveframe_category software _Name ansig _Version 3.3 loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_1H-13C_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY' _Sample_label . save_ save_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 5.5 0.1 n/a temperature 298 1 K 'ionic strength' 20 . mM 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 . . . 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N NOESY' '1H-15N TOCSY' HNCA '1H-13C TOCSY' '1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p64K lipoyl domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ALA HA H 4.09 0.01 1 2 . 1 ALA HB H 1.45 0.01 1 3 . 1 ALA CA C 51.38 0.02 1 4 . 1 ALA CB C 19.87 0.02 1 5 . 2 LEU H H 8.64 0.01 1 6 . 2 LEU HA H 5.04 0.01 1 7 . 2 LEU HB2 H 1.10 0.01 2 8 . 2 LEU HB3 H 1.71 0.01 2 9 . 2 LEU HG H 1.65 0.01 1 10 . 2 LEU HD1 H 0.84 0.01 2 11 . 2 LEU HD2 H 0.73 0.01 2 12 . 2 LEU CA C 54.11 0.02 1 13 . 2 LEU CB C 41.96 0.02 1 14 . 2 LEU CG C 26.58 0.02 1 15 . 2 LEU CD1 C 26.27 0.02 2 16 . 2 LEU CD2 C 23.04 0.02 2 17 . 2 LEU N N 120.34 0.05 1 18 . 3 VAL H H 9.53 0.01 1 19 . 3 VAL HA H 4.41 0.01 1 20 . 3 VAL HB H 1.81 0.01 1 21 . 3 VAL HG1 H 0.85 0.01 1 22 . 3 VAL HG2 H 0.85 0.01 1 23 . 3 VAL CA C 60.94 0.02 1 24 . 3 VAL CB C 35.09 0.02 1 25 . 3 VAL CG1 C 21.13 0.02 1 26 . 3 VAL CG2 C 21.13 0.02 1 27 . 3 VAL N N 122.88 0.05 1 28 . 4 GLU H H 8.65 0.01 1 29 . 4 GLU HA H 4.45 0.01 1 30 . 4 GLU HB2 H 1.65 0.01 2 31 . 4 GLU HB3 H 1.99 0.01 2 32 . 4 GLU HG2 H 2.04 0.01 2 33 . 4 GLU HG3 H 2.40 0.01 2 34 . 4 GLU CA C 55.57 0.02 1 35 . 4 GLU CB C 30.54 0.02 1 36 . 4 GLU CG C 36.51 0.02 1 37 . 4 GLU N N 123.78 0.05 1 38 . 5 LEU H H 8.64 0.01 1 39 . 5 LEU HA H 4.79 0.01 1 40 . 5 LEU HB2 H 1.57 0.01 2 41 . 5 LEU HB3 H 1.73 0.01 2 42 . 5 LEU HG H 2.22 0.01 1 43 . 5 LEU HD1 H 0.90 0.01 2 44 . 5 LEU HD2 H 0.86 0.01 2 45 . 5 LEU CA C 54.14 0.02 1 46 . 5 LEU CB C 39.89 0.02 1 47 . 5 LEU CG C 25.76 0.02 1 48 . 5 LEU CD1 C 25.52 0.02 2 49 . 5 LEU CD2 C 23.28 0.02 2 50 . 5 LEU N N 121.82 0.05 1 51 . 6 LYS H H 8.59 0.01 1 52 . 6 LYS HA H 5.21 0.01 1 53 . 6 LYS HB2 H 1.38 0.01 2 54 . 6 LYS HB3 H 1.50 0.01 2 55 . 6 LYS HG2 H 1.06 0.01 2 56 . 6 LYS HG3 H 1.15 0.01 2 57 . 6 LYS HD2 H 1.58 0.01 2 58 . 6 LYS HD3 H 1.67 0.01 2 59 . 6 LYS HE2 H 2.87 0.01 1 60 . 6 LYS HE3 H 2.87 0.01 1 61 . 6 LYS CA C 53.97 0.02 1 62 . 6 LYS CB C 36.51 0.02 1 63 . 6 LYS CG C 25.51 0.02 1 64 . 6 LYS CD C 29.06 0.02 1 65 . 6 LYS CE C 42.11 0.02 1 66 . 6 LYS N N 121.11 0.05 1 67 . 7 VAL H H 8.79 0.01 1 68 . 7 VAL HA H 3.87 0.01 1 69 . 7 VAL HB H 2.25 0.01 1 70 . 7 VAL HG1 H 1.14 0.01 2 71 . 7 VAL HG2 H 0.98 0.01 2 72 . 7 VAL CA C 61.58 0.02 1 73 . 7 VAL CB C 32.59 0.02 1 74 . 7 VAL CG1 C 21.13 0.02 2 75 . 7 VAL CG2 C 24.14 0.02 2 76 . 7 VAL N N 120.94 0.05 1 77 . 8 PRO HA H 4.79 0.01 1 78 . 8 PRO HB2 H 2.25 0.01 1 79 . 8 PRO HB3 H 2.25 0.01 1 80 . 8 PRO HG2 H 1.62 0.01 2 81 . 8 PRO HG3 H 2.22 0.01 2 82 . 8 PRO HD2 H 3.43 0.01 2 83 . 8 PRO HD3 H 3.79 0.01 2 84 . 8 PRO CA C 62.76 0.02 1 85 . 8 PRO CB C 32.71 0.02 1 86 . 8 PRO CG C 25.76 0.02 1 87 . 8 PRO CD C 51.13 0.02 1 88 . 9 ASP H H 7.81 0.01 1 89 . 9 ASP HA H 4.16 0.01 1 90 . 9 ASP HB2 H 2.64 0.01 1 91 . 9 ASP HB3 H 2.64 0.01 1 92 . 9 ASP CA C 55.96 0.02 1 93 . 9 ASP CB C 40.85 0.02 1 94 . 9 ASP N N 112.44 0.05 1 95 . 10 ILE H H 8.73 0.01 1 96 . 10 ILE HA H 4.55 0.01 1 97 . 10 ILE HB H 2.16 0.01 1 98 . 10 ILE HG12 H 1.16 0.01 2 99 . 10 ILE HG13 H 1.50 0.01 2 100 . 10 ILE HG2 H 0.74 0.01 1 101 . 10 ILE HD1 H 0.82 0.01 1 102 . 10 ILE CA C 60.08 0.02 1 103 . 10 ILE CB C 38.43 0.02 1 104 . 10 ILE CG1 C 26.35 0.02 1 105 . 10 ILE CG2 C 17.20 0.02 1 106 . 10 ILE CD1 C 15.65 0.02 1 107 . 10 ILE N N 121.91 0.05 1 108 . 11 GLY H H 8.91 0.01 1 109 . 11 GLY HA2 H 3.81 0.01 2 110 . 11 GLY HA3 H 4.04 0.01 2 111 . 11 GLY CA C 46.21 0.02 1 112 . 11 GLY N N 109.15 0.05 1 113 . 12 GLY H H 8.95 0.01 1 114 . 12 GLY HA2 H 3.68 0.01 2 115 . 12 GLY HA3 H 3.96 0.01 2 116 . 12 GLY CA C 45.06 0.02 1 117 . 12 GLY N N 107.34 0.05 1 118 . 13 HIS H H 6.97 0.01 1 119 . 13 HIS HA H 4.48 0.01 1 120 . 13 HIS HB2 H 2.86 0.01 2 121 . 13 HIS HB3 H 3.10 0.01 2 122 . 13 HIS HD2 H 7.54 0.01 1 123 . 13 HIS HE1 H 8.53 0.01 1 124 . 13 HIS CA C 55.84 0.02 1 125 . 13 HIS CB C 29.29 0.02 1 126 . 13 HIS CD2 C 120.77 0.02 1 127 . 13 HIS CE1 C 137.31 0.02 1 128 . 13 HIS N N 115.79 0.05 1 129 . 14 GLU H H 8.79 0.01 1 130 . 14 GLU HA H 4.60 0.01 1 131 . 14 GLU HB2 H 1.86 0.01 2 132 . 14 GLU HB3 H 1.95 0.01 2 133 . 14 GLU HG2 H 2.15 0.01 2 134 . 14 GLU HG3 H 2.28 0.01 2 135 . 14 GLU CA C 54.84 0.02 1 136 . 14 GLU CB C 32.67 0.02 1 137 . 14 GLU CG C 36.22 0.02 1 138 . 14 GLU N N 120.76 0.05 1 139 . 15 ASN H H 8.80 0.01 1 140 . 15 ASN HA H 3.98 0.01 1 141 . 15 ASN HB2 H 2.63 0.01 2 142 . 15 ASN HB3 H 2.82 0.01 2 143 . 15 ASN HD21 H 6.94 0.01 2 144 . 15 ASN HD22 H 7.66 0.01 2 145 . 15 ASN CA C 54.03 0.02 1 146 . 15 ASN CB C 37.23 0.02 1 147 . 15 ASN N N 118.00 0.05 1 148 . 15 ASN ND2 N 113.50 0.05 1 149 . 16 VAL H H 8.81 0.01 1 150 . 16 VAL HA H 4.32 0.01 1 151 . 16 VAL HB H 2.24 0.01 1 152 . 16 VAL HG1 H 0.85 0.01 2 153 . 16 VAL HG2 H 0.78 0.01 2 154 . 16 VAL CA C 60.77 0.02 1 155 . 16 VAL CB C 31.88 0.02 1 156 . 16 VAL CG1 C 23.63 0.02 2 157 . 16 VAL CG2 C 21.57 0.02 2 158 . 16 VAL N N 114.09 0.05 1 159 . 17 ASP H H 7.92 0.01 1 160 . 17 ASP HA H 4.69 0.01 1 161 . 17 ASP HB2 H 2.39 0.01 2 162 . 17 ASP HB3 H 2.59 0.01 2 163 . 17 ASP CA C 55.46 0.02 1 164 . 17 ASP CB C 42.41 0.02 1 165 . 17 ASP N N 118.97 0.05 1 166 . 18 ILE H H 8.53 0.01 1 167 . 18 ILE HA H 4.27 0.01 1 168 . 18 ILE HB H 1.93 0.01 1 169 . 18 ILE HG12 H 0.65 0.01 2 170 . 18 ILE HG13 H 1.69 0.01 2 171 . 18 ILE HG2 H 0.66 0.01 1 172 . 18 ILE HD1 H 0.75 0.01 1 173 . 18 ILE CA C 62.10 0.02 1 174 . 18 ILE CB C 37.46 0.02 1 175 . 18 ILE CG1 C 27.23 0.02 1 176 . 18 ILE CG2 C 18.50 0.02 1 177 . 18 ILE CD1 C 14.19 0.02 1 178 . 18 ILE N N 119.26 0.05 1 179 . 19 ILE H H 8.63 0.01 1 180 . 19 ILE HA H 4.60 0.01 1 181 . 19 ILE HB H 2.00 0.01 1 182 . 19 ILE HG12 H 0.72 0.01 2 183 . 19 ILE HG13 H 1.07 0.01 2 184 . 19 ILE HG2 H 0.87 0.01 1 185 . 19 ILE HD1 H 0.81 0.01 1 186 . 19 ILE CA C 61.16 0.02 1 187 . 19 ILE CB C 39.24 0.02 1 188 . 19 ILE CG1 C 26.65 0.02 1 189 . 19 ILE CG2 C 18.63 0.02 1 190 . 19 ILE CD1 C 14.44 0.02 1 191 . 19 ILE N N 120.81 0.05 1 192 . 20 ALA H H 7.72 0.01 1 193 . 20 ALA HA H 4.44 0.01 1 194 . 20 ALA HB H 1.29 0.01 1 195 . 20 ALA CA C 52.79 0.02 1 196 . 20 ALA CB C 21.96 0.02 1 197 . 20 ALA N N 120.95 0.05 1 198 . 21 VAL H H 8.69 0.01 1 199 . 21 VAL HA H 4.36 0.01 1 200 . 21 VAL HB H 2.04 0.01 1 201 . 21 VAL HG1 H 1.01 0.01 2 202 . 21 VAL HG2 H 0.69 0.01 2 203 . 21 VAL CA C 62.40 0.02 1 204 . 21 VAL CB C 33.37 0.02 1 205 . 21 VAL CG1 C 20.86 0.02 2 206 . 21 VAL CG2 C 21.08 0.02 2 207 . 21 VAL N N 120.38 0.05 1 208 . 22 GLU H H 8.28 0.01 1 209 . 22 GLU HA H 4.34 0.01 1 210 . 22 GLU HB2 H 1.68 0.01 2 211 . 22 GLU HB3 H 2.18 0.01 2 212 . 22 GLU HG2 H 2.10 0.01 1 213 . 22 GLU HG3 H 2.10 0.01 1 214 . 22 GLU CA C 57.49 0.02 1 215 . 22 GLU CB C 28.76 0.02 1 216 . 22 GLU CG C 34.19 0.02 1 217 . 22 GLU N N 123.61 0.05 1 218 . 23 VAL H H 6.89 0.01 1 219 . 23 VAL HA H 4.70 0.01 1 220 . 23 VAL HB H 2.04 0.01 1 221 . 23 VAL HG1 H 0.98 0.01 2 222 . 23 VAL HG2 H 0.83 0.01 2 223 . 23 VAL CA C 58.75 0.02 1 224 . 23 VAL CB C 35.14 0.02 1 225 . 23 VAL CG1 C 21.95 0.02 2 226 . 23 VAL CG2 C 18.90 0.02 2 227 . 23 VAL N N 107.13 0.05 1 228 . 24 ASN H H 8.56 0.01 1 229 . 24 ASN HA H 4.89 0.01 1 230 . 24 ASN HB2 H 2.56 0.01 1 231 . 24 ASN HB3 H 2.56 0.01 1 232 . 24 ASN HD21 H 6.89 0.01 2 233 . 24 ASN HD22 H 8.05 0.01 2 234 . 24 ASN CA C 51.07 0.02 1 235 . 24 ASN CB C 42.60 0.02 1 236 . 24 ASN N N 117.56 0.05 1 237 . 24 ASN ND2 N 114.69 0.05 1 238 . 25 VAL H H 8.61 0.01 1 239 . 25 VAL HA H 3.17 0.01 1 240 . 25 VAL HB H 1.88 0.01 1 241 . 25 VAL HG1 H 1.00 0.01 2 242 . 25 VAL HG2 H 0.90 0.01 2 243 . 25 VAL CA C 65.74 0.02 1 244 . 25 VAL CB C 31.37 0.02 1 245 . 25 VAL CG1 C 23.28 0.02 2 246 . 25 VAL CG2 C 21.08 0.02 2 247 . 25 VAL N N 118.93 0.05 1 248 . 26 GLY H H 9.10 0.01 1 249 . 26 GLY HA2 H 3.52 0.01 2 250 . 26 GLY HA3 H 4.42 0.01 2 251 . 26 GLY CA C 44.47 0.02 1 252 . 26 GLY N N 114.97 0.05 1 253 . 27 ASP H H 7.95 0.01 1 254 . 27 ASP HA H 4.58 0.01 1 255 . 27 ASP HB2 H 2.63 0.01 2 256 . 27 ASP HB3 H 2.74 0.01 2 257 . 27 ASP CA C 55.09 0.02 1 258 . 27 ASP CB C 40.90 0.02 1 259 . 27 ASP N N 120.07 0.05 1 260 . 28 THR H H 8.74 0.01 1 261 . 28 THR HA H 4.84 0.01 1 262 . 28 THR HB H 4.01 0.01 1 263 . 28 THR HG2 H 1.09 0.01 1 264 . 28 THR CA C 62.71 0.02 1 265 . 28 THR CB C 69.07 0.02 1 266 . 28 THR CG2 C 21.57 0.02 1 267 . 28 THR N N 116.54 0.05 1 268 . 29 ILE H H 9.21 0.01 1 269 . 29 ILE HA H 4.76 0.01 1 270 . 29 ILE HB H 1.84 0.01 1 271 . 29 ILE HG12 H 1.00 0.01 2 272 . 29 ILE HG13 H 1.45 0.01 2 273 . 29 ILE HG2 H 0.80 0.01 1 274 . 29 ILE HD1 H 0.66 0.01 1 275 . 29 ILE CA C 59.06 0.02 1 276 . 29 ILE CB C 41.64 0.02 1 277 . 29 ILE CG1 C 24.83 0.02 1 278 . 29 ILE CG2 C 17.86 0.02 1 279 . 29 ILE CD1 C 15.09 0.02 1 280 . 29 ILE N N 120.06 0.05 1 281 . 30 ALA H H 8.93 0.01 1 282 . 30 ALA HA H 4.56 0.01 1 283 . 30 ALA HB H 1.32 0.01 1 284 . 30 ALA CA C 49.11 0.02 1 285 . 30 ALA CB C 21.60 0.02 1 286 . 30 ALA N N 126.92 0.05 1 287 . 31 VAL H H 8.17 0.01 1 288 . 31 VAL HA H 3.13 0.01 1 289 . 31 VAL HB H 1.72 0.01 1 290 . 31 VAL HG1 H 0.86 0.01 2 291 . 31 VAL HG2 H 0.82 0.01 2 292 . 31 VAL CA C 65.36 0.02 1 293 . 31 VAL CB C 30.95 0.02 1 294 . 31 VAL CG1 C 21.12 0.02 2 295 . 31 VAL CG2 C 23.07 0.02 2 296 . 31 VAL N N 117.70 0.05 1 297 . 32 ASP H H 9.17 0.01 1 298 . 32 ASP HA H 4.27 0.01 1 299 . 32 ASP HB2 H 2.87 0.01 2 300 . 32 ASP HB3 H 3.26 0.01 2 301 . 32 ASP CA C 57.57 0.02 1 302 . 32 ASP CB C 38.76 0.02 1 303 . 32 ASP N N 117.71 0.05 1 304 . 33 ASP H H 8.24 0.01 1 305 . 33 ASP HA H 4.55 0.01 1 306 . 33 ASP HB2 H 2.56 0.01 2 307 . 33 ASP HB3 H 2.79 0.01 2 308 . 33 ASP CA C 54.95 0.02 1 309 . 33 ASP CB C 40.39 0.02 1 310 . 33 ASP N N 121.60 0.05 1 311 . 34 THR H H 8.77 0.01 1 312 . 34 THR HA H 3.83 0.01 1 313 . 34 THR HB H 3.75 0.01 1 314 . 34 THR HG2 H 0.79 0.01 1 315 . 34 THR CA C 64.38 0.02 1 316 . 34 THR CB C 68.76 0.02 1 317 . 34 THR CG2 C 23.01 0.02 1 318 . 34 THR N N 117.98 0.05 1 319 . 35 LEU H H 9.06 0.01 1 320 . 35 LEU HA H 4.24 0.01 1 321 . 35 LEU HB2 H 1.21 0.01 2 322 . 35 LEU HB3 H 1.86 0.01 2 323 . 35 LEU HG H 1.77 0.01 1 324 . 35 LEU HD1 H 0.81 0.01 2 325 . 35 LEU HD2 H 0.75 0.01 2 326 . 35 LEU CA C 56.16 0.02 1 327 . 35 LEU CB C 45.57 0.02 1 328 . 35 LEU CG C 26.44 0.02 1 329 . 35 LEU CD1 C 27.37 0.02 2 330 . 35 LEU CD2 C 23.84 0.02 2 331 . 35 LEU N N 122.52 0.05 1 332 . 36 ILE H H 6.81 0.01 1 333 . 36 ILE HA H 5.08 0.01 1 334 . 36 ILE HB H 2.12 0.01 1 335 . 36 ILE HG12 H 1.31 0.01 1 336 . 36 ILE HG13 H 1.31 0.01 1 337 . 36 ILE HG2 H 0.96 0.01 1 338 . 36 ILE HD1 H 0.78 0.01 1 339 . 36 ILE CA C 58.04 0.02 1 340 . 36 ILE CB C 43.76 0.02 1 341 . 36 ILE CG1 C 24.81 0.02 1 342 . 36 ILE CG2 C 20.17 0.02 1 343 . 36 ILE CD1 C 14.89 0.02 1 344 . 36 ILE N N 104.35 0.05 1 345 . 37 THR H H 8.44 0.01 1 346 . 37 THR HA H 5.23 0.01 1 347 . 37 THR HB H 3.60 0.01 1 348 . 37 THR HG2 H 1.22 0.01 1 349 . 37 THR CA C 62.13 0.02 1 350 . 37 THR CB C 71.32 0.02 1 351 . 37 THR CG2 C 21.85 0.02 1 352 . 37 THR N N 115.84 0.05 1 353 . 38 LEU H H 9.37 0.01 1 354 . 38 LEU HA H 5.36 0.01 1 355 . 38 LEU HB2 H 1.34 0.01 2 356 . 38 LEU HB3 H 1.69 0.01 2 357 . 38 LEU HG H 1.61 0.01 1 358 . 38 LEU HD1 H 0.72 0.01 2 359 . 38 LEU HD2 H 0.66 0.01 2 360 . 38 LEU CA C 52.24 0.02 1 361 . 38 LEU CB C 44.37 0.02 1 362 . 38 LEU CG C 26.73 0.02 1 363 . 38 LEU CD1 C 25.59 0.02 2 364 . 38 LEU CD2 C 24.96 0.02 2 365 . 38 LEU N N 125.10 0.05 1 366 . 39 GLU H H 8.74 0.01 1 367 . 39 GLU HA H 4.97 0.01 1 368 . 39 GLU HB2 H 1.81 0.01 2 369 . 39 GLU HB3 H 1.98 0.01 2 370 . 39 GLU HG2 H 2.11 0.01 2 371 . 39 GLU HG3 H 2.22 0.01 2 372 . 39 GLU CA C 55.55 0.02 1 373 . 39 GLU CB C 33.21 0.02 1 374 . 39 GLU CG C 35.98 0.02 1 375 . 39 GLU N N 119.77 0.05 1 376 . 40 THR H H 8.47 0.01 1 377 . 40 THR HA H 4.53 0.01 1 378 . 40 THR HB H 4.08 0.01 1 379 . 40 THR HG2 H 0.84 0.01 1 380 . 40 THR CA C 59.41 0.02 1 381 . 40 THR CB C 69.62 0.02 1 382 . 40 THR CG2 C 20.47 0.02 1 383 . 40 THR N N 116.30 0.05 1 384 . 41 ASP H H 8.87 0.01 1 385 . 41 ASP HA H 4.28 0.01 1 386 . 41 ASP HB2 H 2.61 0.01 2 387 . 41 ASP HB3 H 2.79 0.01 2 388 . 41 ASP CA C 55.89 0.02 1 389 . 41 ASP CB C 39.64 0.02 1 390 . 41 ASP N N 119.94 0.05 1 391 . 42 LYS H H 8.25 0.01 1 392 . 42 LYS HA H 4.20 0.01 1 393 . 42 LYS HB2 H 1.78 0.01 2 394 . 42 LYS HB3 H 1.88 0.01 2 395 . 42 LYS HG2 H 1.33 0.01 2 396 . 42 LYS HG3 H 1.38 0.01 2 397 . 42 LYS HD2 H 1.62 0.01 2 398 . 42 LYS HD3 H 1.66 0.01 2 399 . 42 LYS HE2 H 2.96 0.01 1 400 . 42 LYS HE3 H 2.96 0.01 1 401 . 42 LYS CA C 56.39 0.02 1 402 . 42 LYS CB C 32.64 0.02 1 403 . 42 LYS CG C 24.58 0.02 1 404 . 42 LYS CD C 28.70 0.02 1 405 . 42 LYS CE C 42.03 0.02 1 406 . 42 LYS N N 113.30 0.05 1 407 . 43 ALA H H 7.79 0.01 1 408 . 43 ALA HA H 4.66 0.01 1 409 . 43 ALA HB H 1.33 0.01 1 410 . 43 ALA CA C 51.55 0.02 1 411 . 43 ALA CB C 21.48 0.02 1 412 . 43 ALA N N 121.20 0.05 1 413 . 44 THR H H 8.09 0.01 1 414 . 44 THR HA H 5.27 0.01 1 415 . 44 THR HB H 4.00 0.01 1 416 . 44 THR HG2 H 1.09 0.01 1 417 . 44 THR CA C 60.20 0.02 1 418 . 44 THR CB C 70.98 0.02 1 419 . 44 THR CG2 C 21.94 0.02 1 420 . 44 THR N N 109.78 0.05 1 421 . 45 MET H H 8.90 0.01 1 422 . 45 MET HA H 4.68 0.01 1 423 . 45 MET HB2 H 1.88 0.01 1 424 . 45 MET HB3 H 1.88 0.01 1 425 . 45 MET HG2 H 2.35 0.01 1 426 . 45 MET HG3 H 2.35 0.01 1 427 . 45 MET HE H 1.98 0.01 1 428 . 45 MET CA C 54.87 0.02 1 429 . 45 MET CB C 36.37 0.02 1 430 . 45 MET CG C 31.52 0.02 1 431 . 45 MET CE C 17.37 0.02 1 432 . 45 MET N N 119.08 0.05 1 433 . 46 ASP H H 8.89 0.01 1 434 . 46 ASP HA H 5.18 0.01 1 435 . 46 ASP HB2 H 2.51 0.01 1 436 . 46 ASP HB3 H 2.51 0.01 1 437 . 46 ASP CA C 53.52 0.02 1 438 . 46 ASP CB C 41.60 0.02 1 439 . 46 ASP N N 125.30 0.05 1 440 . 47 VAL H H 8.78 0.01 1 441 . 47 VAL HA H 4.47 0.01 1 442 . 47 VAL HB H 2.04 0.01 1 443 . 47 VAL HG1 H 0.89 0.01 2 444 . 47 VAL HG2 H 0.85 0.01 2 445 . 47 VAL CA C 59.55 0.02 1 446 . 47 VAL CB C 33.07 0.02 1 447 . 47 VAL CG1 C 21.50 0.02 2 448 . 47 VAL CG2 C 21.37 0.02 2 449 . 47 VAL N N 121.98 0.05 1 450 . 48 PRO HA H 4.93 0.01 1 451 . 48 PRO HB2 H 1.83 0.01 2 452 . 48 PRO HB3 H 2.11 0.01 2 453 . 48 PRO HG2 H 2.03 0.01 1 454 . 48 PRO HG3 H 2.03 0.01 1 455 . 48 PRO HD2 H 3.81 0.01 2 456 . 48 PRO HD3 H 3.99 0.01 2 457 . 48 PRO CA C 60.95 0.02 1 458 . 48 PRO CB C 33.10 0.02 1 459 . 48 PRO CG C 26.29 0.02 1 460 . 48 PRO CD C 51.40 0.02 1 461 . 49 ALA H H 9.13 0.01 1 462 . 49 ALA HA H 4.23 0.01 1 463 . 49 ALA HB H 1.45 0.01 1 464 . 49 ALA CA C 52.04 0.02 1 465 . 49 ALA CB C 19.55 0.02 1 466 . 49 ALA N N 120.84 0.05 1 467 . 50 GLU H H 9.07 0.01 1 468 . 50 GLU HA H 4.34 0.01 1 469 . 50 GLU HB2 H 1.92 0.01 2 470 . 50 GLU HB3 H 2.25 0.01 2 471 . 50 GLU HG2 H 2.28 0.01 2 472 . 50 GLU HG3 H 2.40 0.01 2 473 . 50 GLU CA C 56.97 0.02 1 474 . 50 GLU CB C 30.89 0.02 1 475 . 50 GLU CG C 36.45 0.02 1 476 . 50 GLU N N 120.58 0.05 1 477 . 51 VAL H H 7.00 0.01 1 478 . 51 VAL HA H 4.14 0.01 1 479 . 51 VAL HB H 1.84 0.01 1 480 . 51 VAL HG1 H 0.86 0.01 2 481 . 51 VAL HG2 H 0.78 0.01 2 482 . 51 VAL CA C 60.01 0.02 1 483 . 51 VAL CB C 35.98 0.02 1 484 . 51 VAL CG1 C 21.14 0.02 2 485 . 51 VAL CG2 C 20.93 0.02 2 486 . 51 VAL N N 113.14 0.05 1 487 . 52 ALA H H 7.89 0.01 1 488 . 52 ALA HA H 4.39 0.01 1 489 . 52 ALA HB H 1.46 0.01 1 490 . 52 ALA CA C 49.84 0.02 1 491 . 52 ALA CB C 21.20 0.02 1 492 . 52 ALA N N 120.49 0.05 1 493 . 53 GLY H H 8.03 0.01 1 494 . 53 GLY HA2 H 3.92 0.01 2 495 . 53 GLY HA3 H 4.54 0.01 2 496 . 53 GLY CA C 45.17 0.02 1 497 . 53 GLY N N 104.04 0.05 1 498 . 54 VAL H H 7.90 0.01 1 499 . 54 VAL HA H 4.82 0.01 1 500 . 54 VAL HB H 1.84 0.01 1 501 . 54 VAL HG1 H 0.97 0.01 2 502 . 54 VAL HG2 H 0.74 0.01 2 503 . 54 VAL CA C 60.65 0.02 1 504 . 54 VAL CB C 34.30 0.02 1 505 . 54 VAL CG1 C 21.48 0.02 2 506 . 54 VAL CG2 C 20.64 0.02 2 507 . 54 VAL N N 117.75 0.05 1 508 . 55 VAL H H 9.32 0.01 1 509 . 55 VAL HA H 3.67 0.01 1 510 . 55 VAL HB H 2.35 0.01 1 511 . 55 VAL HG1 H 0.66 0.01 2 512 . 55 VAL HG2 H 0.90 0.01 2 513 . 55 VAL CA C 64.76 0.02 1 514 . 55 VAL CB C 31.44 0.02 1 515 . 55 VAL CG1 C 22.87 0.02 2 516 . 55 VAL CG2 C 22.29 0.02 2 517 . 55 VAL N N 126.11 0.05 1 518 . 56 LYS H H 9.32 0.01 1 519 . 56 LYS HA H 4.55 0.01 1 520 . 56 LYS HB2 H 1.56 0.01 2 521 . 56 LYS HB3 H 1.88 0.01 2 522 . 56 LYS HG2 H 1.44 0.01 2 523 . 56 LYS HG3 H 1.56 0.01 2 524 . 56 LYS HD2 H 1.57 0.01 2 525 . 56 LYS HD3 H 1.65 0.01 2 526 . 56 LYS HE2 H 2.81 0.01 2 527 . 56 LYS HE3 H 2.99 0.01 2 528 . 56 LYS CA C 55.23 0.02 1 529 . 56 LYS CB C 33.05 0.02 1 530 . 56 LYS CG C 23.96 0.02 1 531 . 56 LYS CD C 27.29 0.02 1 532 . 56 LYS CE C 41.54 0.02 1 533 . 56 LYS N N 128.82 0.05 1 534 . 57 GLU H H 7.71 0.01 1 535 . 57 GLU HA H 4.54 0.01 1 536 . 57 GLU HB2 H 2.10 0.01 1 537 . 57 GLU HB3 H 2.10 0.01 1 538 . 57 GLU HG2 H 1.71 0.01 2 539 . 57 GLU HG3 H 1.85 0.01 2 540 . 57 GLU CA C 55.66 0.02 1 541 . 57 GLU CB C 36.05 0.02 1 542 . 57 GLU CG C 34.73 0.02 1 543 . 57 GLU N N 113.69 0.05 1 544 . 58 VAL H H 9.06 0.01 1 545 . 58 VAL HA H 4.41 0.01 1 546 . 58 VAL HB H 2.07 0.01 1 547 . 58 VAL HG1 H 1.09 0.01 2 548 . 58 VAL HG2 H 0.78 0.01 2 549 . 58 VAL CA C 62.21 0.02 1 550 . 58 VAL CB C 33.29 0.02 1 551 . 58 VAL CG1 C 21.36 0.02 2 552 . 58 VAL CG2 C 21.61 0.02 2 553 . 58 VAL N N 123.03 0.05 1 554 . 59 LYS H H 8.34 0.01 1 555 . 59 LYS HA H 4.45 0.01 1 556 . 59 LYS HB2 H 1.51 0.01 2 557 . 59 LYS HB3 H 2.00 0.01 2 558 . 59 LYS HG2 H 1.04 0.01 2 559 . 59 LYS HG3 H 1.23 0.01 2 560 . 59 LYS HD2 H 1.49 0.01 2 561 . 59 LYS HD3 H 1.58 0.01 2 562 . 59 LYS HE2 H 2.71 0.01 2 563 . 59 LYS HE3 H 2.92 0.01 2 564 . 59 LYS CA C 54.86 0.02 1 565 . 59 LYS CB C 31.53 0.02 1 566 . 59 LYS CG C 23.82 0.02 1 567 . 59 LYS CD C 27.24 0.02 1 568 . 59 LYS CE C 41.51 0.02 1 569 . 59 LYS N N 121.99 0.05 1 570 . 60 VAL H H 6.84 0.01 1 571 . 60 VAL HA H 4.79 0.01 1 572 . 60 VAL HB H 2.07 0.01 1 573 . 60 VAL HG1 H 1.00 0.01 2 574 . 60 VAL HG2 H 0.80 0.01 2 575 . 60 VAL CA C 58.23 0.02 1 576 . 60 VAL CB C 35.97 0.02 1 577 . 60 VAL CG1 C 23.31 0.02 2 578 . 60 VAL CG2 C 18.12 0.02 2 579 . 60 VAL N N 106.05 0.05 1 580 . 61 LYS H H 8.39 0.01 1 581 . 61 LYS HA H 4.54 0.01 1 582 . 61 LYS HB2 H 1.69 0.01 1 583 . 61 LYS HB3 H 1.69 0.01 1 584 . 61 LYS HG2 H 1.18 0.01 2 585 . 61 LYS HG3 H 1.45 0.01 2 586 . 61 LYS HD2 H 1.63 0.01 1 587 . 61 LYS HD3 H 1.63 0.01 1 588 . 61 LYS HE2 H 3.00 0.01 1 589 . 61 LYS HE3 H 3.00 0.01 1 590 . 61 LYS CA C 54.09 0.02 1 591 . 61 LYS CB C 36.20 0.02 1 592 . 61 LYS CG C 23.54 0.02 1 593 . 61 LYS CD C 29.10 0.02 1 594 . 61 LYS CE C 42.01 0.02 1 595 . 61 LYS N N 117.13 0.05 1 596 . 62 VAL H H 8.30 0.01 1 597 . 62 VAL HA H 3.25 0.01 1 598 . 62 VAL HB H 1.86 0.01 1 599 . 62 VAL HG1 H 0.93 0.01 2 600 . 62 VAL HG2 H 0.89 0.01 2 601 . 62 VAL CA C 65.42 0.02 1 602 . 62 VAL CB C 31.43 0.02 1 603 . 62 VAL CG1 C 23.37 0.02 2 604 . 62 VAL CG2 C 21.22 0.02 2 605 . 62 VAL N N 118.44 0.05 1 606 . 63 GLY H H 8.82 0.01 1 607 . 63 GLY HA2 H 3.73 0.01 2 608 . 63 GLY HA3 H 4.45 0.01 2 609 . 63 GLY CA C 44.51 0.02 1 610 . 63 GLY N N 115.16 0.05 1 611 . 64 ASP H H 7.92 0.01 1 612 . 64 ASP HA H 4.62 0.01 1 613 . 64 ASP HB2 H 2.66 0.01 2 614 . 64 ASP HB3 H 2.98 0.01 2 615 . 64 ASP CA C 54.93 0.02 1 616 . 64 ASP CB C 41.87 0.02 1 617 . 64 ASP N N 120.52 0.05 1 618 . 65 LYS H H 8.16 0.01 1 619 . 65 LYS HA H 5.29 0.01 1 620 . 65 LYS HB2 H 1.19 0.01 2 621 . 65 LYS HB3 H 1.57 0.01 2 622 . 65 LYS HG2 H 1.36 0.01 1 623 . 65 LYS HG3 H 1.36 0.01 1 624 . 65 LYS HD2 H 1.54 0.01 1 625 . 65 LYS HD3 H 1.54 0.01 1 626 . 65 LYS HE2 H 2.95 0.01 2 627 . 65 LYS HE3 H 3.01 0.01 2 628 . 65 LYS CA C 54.04 0.02 1 629 . 65 LYS CB C 35.15 0.02 1 630 . 65 LYS CG C 25.34 0.02 1 631 . 65 LYS CD C 29.00 0.02 1 632 . 65 LYS CE C 42.42 0.02 1 633 . 65 LYS N N 115.65 0.05 1 634 . 66 ILE H H 9.22 0.01 1 635 . 66 ILE HA H 4.68 0.01 1 636 . 66 ILE HB H 1.47 0.01 1 637 . 66 ILE HG12 H 1.56 0.01 2 638 . 66 ILE HG13 H 1.86 0.01 2 639 . 66 ILE HG2 H 0.64 0.01 1 640 . 66 ILE HD1 H 0.67 0.01 1 641 . 66 ILE CA C 61.32 0.02 1 642 . 66 ILE CB C 44.71 0.02 1 643 . 66 ILE CG1 C 29.75 0.02 1 644 . 66 ILE CG2 C 15.78 0.02 2 645 . 66 ILE CD1 C 15.58 0.02 2 646 . 66 ILE N N 121.63 0.05 1 647 . 67 SER H H 7.70 0.01 1 648 . 67 SER HA H 5.04 0.01 1 649 . 67 SER HB2 H 3.57 0.01 2 650 . 67 SER HB3 H 4.16 0.01 2 651 . 67 SER CA C 55.84 0.02 1 652 . 67 SER CB C 66.21 0.02 1 653 . 67 SER N N 115.44 0.05 1 654 . 68 GLU H H 8.82 0.01 1 655 . 68 GLU HA H 3.75 0.01 1 656 . 68 GLU HB2 H 1.74 0.01 2 657 . 68 GLU HB3 H 2.19 0.01 2 658 . 68 GLU HG2 H 2.04 0.01 2 659 . 68 GLU HG3 H 2.17 0.01 2 660 . 68 GLU CA C 58.22 0.02 1 661 . 68 GLU CB C 29.35 0.02 1 662 . 68 GLU CG C 34.68 0.02 1 663 . 68 GLU N N 121.08 0.05 1 664 . 69 GLY H H 9.39 0.01 1 665 . 69 GLY HA2 H 3.55 0.01 2 666 . 69 GLY HA3 H 4.38 0.01 2 667 . 69 GLY CA C 44.64 0.02 1 668 . 69 GLY N N 114.93 0.05 1 669 . 70 GLY H H 8.55 0.01 1 670 . 70 GLY HA2 H 3.48 0.01 2 671 . 70 GLY HA3 H 4.01 0.01 2 672 . 70 GLY CA C 45.43 0.02 1 673 . 70 GLY N N 107.17 0.05 1 674 . 71 LEU H H 8.52 0.01 1 675 . 71 LEU HA H 4.01 0.01 1 676 . 71 LEU HB2 H 1.49 0.01 2 677 . 71 LEU HB3 H 1.59 0.01 2 678 . 71 LEU HG H 1.25 0.01 1 679 . 71 LEU HD1 H 0.81 0.01 2 680 . 71 LEU HD2 H 0.77 0.01 2 681 . 71 LEU CA C 56.06 0.02 1 682 . 71 LEU CB C 42.50 0.02 1 683 . 71 LEU CG C 27.22 0.02 1 684 . 71 LEU CD1 C 24.28 0.02 2 685 . 71 LEU CD2 C 25.85 0.02 2 686 . 71 LEU N N 124.45 0.05 1 687 . 72 ILE H H 8.88 0.01 1 688 . 72 ILE HA H 4.20 0.01 1 689 . 72 ILE HB H 1.57 0.01 1 690 . 72 ILE HG12 H 0.53 0.01 2 691 . 72 ILE HG13 H 0.91 0.01 2 692 . 72 ILE HG2 H 0.91 0.01 1 693 . 72 ILE HD1 H 0.65 0.01 1 694 . 72 ILE CA C 63.17 0.02 1 695 . 72 ILE CB C 40.59 0.02 1 696 . 72 ILE CG1 C 27.76 0.02 1 697 . 72 ILE CG2 C 19.67 0.02 1 698 . 72 ILE CD1 C 15.31 0.02 1 699 . 72 ILE N N 119.80 0.05 1 700 . 73 VAL H H 7.23 0.01 1 701 . 73 VAL HA H 5.10 0.01 1 702 . 73 VAL HB H 2.24 0.01 1 703 . 73 VAL HG1 H 1.05 0.01 2 704 . 73 VAL HG2 H 0.82 0.01 2 705 . 73 VAL CA C 57.71 0.02 1 706 . 73 VAL CB C 37.55 0.02 1 707 . 73 VAL CG1 C 24.29 0.02 2 708 . 73 VAL CG2 C 21.78 0.02 2 709 . 73 VAL N N 105.52 0.05 1 710 . 74 VAL H H 8.33 0.01 1 711 . 74 VAL HA H 4.78 0.01 1 712 . 74 VAL HB H 1.77 0.01 1 713 . 74 VAL HG1 H 0.89 0.01 1 714 . 74 VAL HG2 H 0.89 0.01 1 715 . 74 VAL CA C 61.76 0.02 1 716 . 74 VAL CB C 33.82 0.02 1 717 . 74 VAL CG1 C 21.98 0.02 1 718 . 74 VAL CG2 C 21.98 0.02 1 719 . 74 VAL N N 119.12 0.05 1 720 . 75 VAL H H 9.35 0.01 1 721 . 75 VAL HA H 4.87 0.01 1 722 . 75 VAL HB H 1.64 0.01 1 723 . 75 VAL HG1 H 0.69 0.01 2 724 . 75 VAL HG2 H 0.59 0.01 2 725 . 75 VAL CA C 59.09 0.02 1 726 . 75 VAL CB C 35.88 0.02 1 727 . 75 VAL CG1 C 21.49 0.02 2 728 . 75 VAL CG2 C 20.53 0.02 2 729 . 75 VAL N N 124.85 0.05 1 730 . 76 GLU H H 9.29 0.01 1 731 . 76 GLU HA H 4.81 0.01 1 732 . 76 GLU HB2 H 1.75 0.01 2 733 . 76 GLU HB3 H 2.04 0.01 2 734 . 76 GLU HG2 H 1.92 0.01 2 735 . 76 GLU HG3 H 2.18 0.01 2 736 . 76 GLU CA C 55.11 0.02 1 737 . 76 GLU CB C 30.02 0.02 1 738 . 76 GLU CG C 35.87 0.02 1 739 . 76 GLU N N 124.87 0.05 1 740 . 77 ALA H H 8.74 0.01 1 741 . 77 ALA HA H 4.74 0.01 1 742 . 77 ALA HB H 1.39 0.01 1 743 . 77 ALA CA C 51.68 0.02 1 744 . 77 ALA CB C 21.06 0.02 1 745 . 77 ALA N N 132.32 0.05 1 746 . 78 GLU H H 8.83 0.01 1 747 . 78 GLU HA H 4.28 0.01 1 748 . 78 GLU HB2 H 1.90 0.01 2 749 . 78 GLU HB3 H 1.98 0.01 2 750 . 78 GLU HG2 H 2.24 0.01 1 751 . 78 GLU HG3 H 2.24 0.01 1 752 . 78 GLU CA C 56.68 0.02 1 753 . 78 GLU CB C 30.31 0.02 1 754 . 78 GLU CG C 35.98 0.02 1 755 . 78 GLU N N 121.43 0.05 1 756 . 79 GLY H H 8.62 0.01 1 757 . 79 GLY HA2 H 4.00 0.01 1 758 . 79 GLY HA3 H 4.00 0.01 1 759 . 79 GLY CA C 45.20 0.02 1 760 . 79 GLY N N 109.34 0.05 1 761 . 80 THR H H 8.05 0.01 1 762 . 80 THR HA H 4.39 0.01 1 763 . 80 THR HB H 4.24 0.01 1 764 . 80 THR HG2 H 1.15 0.01 1 765 . 80 THR CA C 61.37 0.02 1 766 . 80 THR CB C 70.10 0.02 1 767 . 80 THR CG2 C 21.37 0.02 1 768 . 80 THR N N 111.40 0.05 1 769 . 81 ALA H H 8.10 0.01 1 770 . 81 ALA HA H 4.13 0.01 1 771 . 81 ALA HB H 1.31 0.01 1 772 . 81 ALA CA C 53.83 0.02 1 773 . 81 ALA CB C 20.03 0.02 1 774 . 81 ALA N N 130.21 0.05 1 stop_ save_