data_6212 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria ; _BMRB_accession_number 6212 _BMRB_flat_file_name bmr6212.str _Entry_type original _Submission_date 2004-05-24 _Accession_date 2004-05-24 _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 Carbajo Rodrigo J. . 2 Silvester Jocelyn A. . 3 Runswick Michael J. . 4 Walker John E. . 5 Neuhaus David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 494 "13C chemical shifts" 274 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-07 original author . stop_ _Original_release_date 2004-09-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of subunit f(6) from the peripheral stalk region of ATP synthase from bovine heart mitochondria ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15327958 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carbajo Rodrigo J. . 2 Silvester Jocelyn A. . 3 Runswick Michael J. . 4 Walker John E. . 5 Neuhaus David . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 342 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 593 _Page_last 603 _Year 2004 _Details . loop_ _Keyword 'ATP synthase' 'peripheral stalk' 'F6 subunit' NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_F6 _Saveframe_category molecular_system _Mol_system_name 'F6 monomer' _Abbreviation_common F6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'F6 monomer' $F6_monomer 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_F6_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Bovine coupling factor 6' _Abbreviation_common F6 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; NKELDPVQKLFVDKIREYRT KRQTSGGPVDAGPEYQQDLD RELFKLKQMYGKADMNTFPN FTFEDPKFEVVEKPQS ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 LYS 3 GLU 4 LEU 5 ASP 6 PRO 7 VAL 8 GLN 9 LYS 10 LEU 11 PHE 12 VAL 13 ASP 14 LYS 15 ILE 16 ARG 17 GLU 18 TYR 19 ARG 20 THR 21 LYS 22 ARG 23 GLN 24 THR 25 SER 26 GLY 27 GLY 28 PRO 29 VAL 30 ASP 31 ALA 32 GLY 33 PRO 34 GLU 35 TYR 36 GLN 37 GLN 38 ASP 39 LEU 40 ASP 41 ARG 42 GLU 43 LEU 44 PHE 45 LYS 46 LEU 47 LYS 48 GLN 49 MET 50 TYR 51 GLY 52 LYS 53 ALA 54 ASP 55 MET 56 ASN 57 THR 58 PHE 59 PRO 60 ASN 61 PHE 62 THR 63 PHE 64 GLU 65 ASP 66 PRO 67 LYS 68 PHE 69 GLU 70 VAL 71 VAL 72 GLU 73 LYS 74 PRO 75 GLN 76 SER 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 1VZS "Solution Structure Of Subunit F6 From The Peripheral Stalk Region Of Atp Synthase From Bovine Heart Mitochondria" 100.00 76 100.00 100.00 1.09e-46 PDB 2CLY "Subcomplex Of The Stator Of Bovine Mitochondrial Atp Synthase" 100.00 77 100.00 100.00 1.21e-46 PDB 2WSS "The Structure Of The Membrane Extrinsic Region Of Bovine Atp Synthase" 100.00 76 97.37 97.37 1.50e-44 PDB 4B2Q "Model Of The Yeast F1fo-atp Synthase Dimer Based On Subtomogram Average" 86.84 66 100.00 100.00 1.84e-39 GB AAA30511 "factor 6 precursor [Bos taurus]" 100.00 108 100.00 100.00 1.38e-47 GB AAI03430 "ATP synthase, H+ transporting, mitochondrial F0 complex, subunit F6 [Bos taurus]" 100.00 108 100.00 100.00 1.38e-47 GB AAW79005 "GekBS159P [Gekko japonicus]" 100.00 108 98.68 98.68 9.63e-47 GB ELR54329 "ATP synthase-coupling factor 6, mitochondrial [Bos mutus]" 100.00 108 100.00 100.00 1.38e-47 REF NP_777142 "ATP synthase-coupling factor 6, mitochondrial precursor [Bos taurus]" 100.00 108 100.00 100.00 1.38e-47 REF XP_003361573 "PREDICTED: ATP synthase-coupling factor 6, mitochondrial-like isoformX1 [Sus scrofa]" 100.00 108 98.68 98.68 6.10e-47 REF XP_003361574 "PREDICTED: ATP synthase-coupling factor 6, mitochondrial-like isoformX2 [Sus scrofa]" 100.00 116 98.68 98.68 9.10e-47 REF XP_004002856 "PREDICTED: ATP synthase-coupling factor 6, mitochondrial isoform 1 [Ovis aries]" 100.00 108 100.00 100.00 1.47e-47 REF XP_004002857 "PREDICTED: ATP synthase-coupling factor 6, mitochondrial isoform 2 [Ovis aries]" 100.00 108 100.00 100.00 1.47e-47 SP P02721 "RecName: Full=ATP synthase-coupling factor 6, mitochondrial; Short=ATPase subunit F6; Flags: Precursor [Bos taurus]" 100.00 108 100.00 100.00 1.38e-47 SP P13618 "RecName: Full=ATP synthase-coupling factor 6, mitochondrial; Short=ATPase subunit F6 [Sus scrofa]" 100.00 76 98.68 98.68 3.43e-46 TPG DAA33656 "TPA: ATP synthase-coupling factor 6, mitochondrial precursor [Bos taurus]" 100.00 108 100.00 100.00 1.38e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organelle _Plasmid $F6_monomer Cow 9913 Eukaryota Metazoa Bos taurus mitochondria pRKF6 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $F6_monomer 'recombinant technology' 'E. coli' Escherichia coli 'C41 (DE3)' plasmid pMW7 ; Supplementation of media with glycerol (5-10% v/v) dramatically increased yield of over-expressed protein. ; 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $F6_monomer . mM 1.0 1.5 '[U-95% 13C; U-90% 15N]' NaCl 50 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Saveframe_category software _Name Xwinnmr _Version 2.8 loop_ _Task acquisition processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.87 loop_ _Task analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'Cryoprobe in the 500 MHz' save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0.0 external direct cylindrical external parallel 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'F6 monomer' _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 ASN HA H 4.68 0.01 1 2 . 1 ASN HB2 H 2.81 0.01 2 3 . 1 ASN HB3 H 2.89 0.01 2 4 . 1 ASN HD21 H 7.03 0.01 2 5 . 1 ASN HD22 H 7.71 0.01 2 6 . 1 ASN CA C 53.3 0.2 1 7 . 1 ASN CB C 38.8 0.2 1 8 . 1 ASN ND2 N 113.2 0.2 1 9 . 2 LYS H H 8.54 0.01 1 10 . 2 LYS HA H 4.33 0.01 1 11 . 2 LYS HB2 H 1.78 0.01 2 12 . 2 LYS HB3 H 1.87 0.01 2 13 . 2 LYS HG2 H 1.46 0.01 1 14 . 2 LYS HG3 H 1.46 0.01 1 15 . 2 LYS HD2 H 1.73 0.01 1 16 . 2 LYS HD3 H 1.73 0.01 1 17 . 2 LYS HE2 H 3.04 0.01 1 18 . 2 LYS HE3 H 3.04 0.01 1 19 . 2 LYS CA C 56.6 0.2 1 20 . 2 LYS CB C 33.0 0.2 1 21 . 2 LYS CG C 25.7 0.2 1 22 . 2 LYS CD C 29.2 0.2 1 23 . 2 LYS CE C 42.1 0.2 1 24 . 2 LYS N N 122.6 0.2 1 25 . 3 GLU H H 8.46 0.01 1 26 . 3 GLU HA H 4.32 0.01 1 27 . 3 GLU HB2 H 1.87 0.01 2 28 . 3 GLU HB3 H 1.97 0.01 2 29 . 3 GLU HG2 H 2.30 0.01 1 30 . 3 GLU HG3 H 2.30 0.01 1 31 . 3 GLU CA C 56.3 0.2 1 32 . 3 GLU CB C 30.1 0.2 1 33 . 3 GLU CG C 36.1 0.2 1 34 . 3 GLU N N 121.7 0.2 1 35 . 4 LEU H H 8.25 0.01 1 36 . 4 LEU HA H 4.37 0.01 1 37 . 4 LEU HB2 H 1.56 0.01 2 38 . 4 LEU HB3 H 1.64 0.01 2 39 . 4 LEU HG H 1.56 0.01 1 40 . 4 LEU HD1 H 0.86 0.01 2 41 . 4 LEU HD2 H 0.92 0.01 2 42 . 4 LEU CA C 54.7 0.2 1 43 . 4 LEU CB C 42.7 0.2 1 44 . 4 LEU CG C 26.9 0.2 1 45 . 4 LEU CD1 C 23.4 0.2 2 46 . 4 LEU CD2 C 25.1 0.2 2 47 . 4 LEU N N 122.8 0.2 1 48 . 5 ASP H H 8.39 0.01 1 49 . 5 ASP HA H 4.84 0.01 1 50 . 5 ASP HB2 H 2.75 0.01 1 51 . 5 ASP HB3 H 2.75 0.01 1 52 . 5 ASP CA C 52.6 0.2 1 53 . 5 ASP CB C 40.9 0.2 1 54 . 5 ASP N N 123.2 0.2 1 55 . 6 PRO HA H 4.33 0.01 1 56 . 6 PRO HB2 H 1.94 0.01 2 57 . 6 PRO HB3 H 2.37 0.01 2 58 . 6 PRO HG2 H 2.07 0.01 1 59 . 6 PRO HG3 H 2.07 0.01 1 60 . 6 PRO HD2 H 3.83 0.01 2 61 . 6 PRO HD3 H 3.92 0.01 2 62 . 6 PRO CA C 64.6 0.2 1 63 . 6 PRO CB C 32.2 0.2 1 64 . 6 PRO CG C 27.4 0.2 1 65 . 6 PRO CD C 50.7 0.2 1 66 . 7 VAL H H 8.15 0.01 1 67 . 7 VAL HA H 3.85 0.01 1 68 . 7 VAL HB H 2.17 0.01 1 69 . 7 VAL HG1 H 0.92 0.01 2 70 . 7 VAL HG2 H 0.99 0.01 2 71 . 7 VAL CA C 64.4 0.2 1 72 . 7 VAL CB C 32.0 0.2 1 73 . 7 VAL CG1 C 21.4 0.2 2 74 . 7 VAL CG2 C 22.0 0.2 2 75 . 7 VAL N N 119.0 0.2 1 76 . 8 GLN H H 8.15 0.01 1 77 . 8 GLN HA H 4.12 0.01 1 78 . 8 GLN HB2 H 1.99 0.01 1 79 . 8 GLN HB3 H 1.99 0.01 1 80 . 8 GLN HG2 H 2.31 0.01 2 81 . 8 GLN HG3 H 2.48 0.01 2 82 . 8 GLN HE21 H 6.84 0.01 2 83 . 8 GLN HE22 H 7.51 0.01 2 84 . 8 GLN CA C 57.2 0.2 1 85 . 8 GLN CB C 29.1 0.2 1 86 . 8 GLN CG C 34.1 0.2 1 87 . 8 GLN N N 121.2 0.2 1 88 . 8 GLN NE2 N 111.7 0.2 1 89 . 9 LYS H H 8.26 0.01 1 90 . 9 LYS HA H 4.07 0.01 1 91 . 9 LYS HB2 H 1.80 0.01 1 92 . 9 LYS HB3 H 1.80 0.01 1 93 . 9 LYS HG2 H 1.43 0.01 1 94 . 9 LYS HG3 H 1.43 0.01 1 95 . 9 LYS HD2 H 1.69 0.01 1 96 . 9 LYS HD3 H 1.69 0.01 1 97 . 9 LYS HE2 H 3.02 0.01 1 98 . 9 LYS HE3 H 3.02 0.01 1 99 . 9 LYS CA C 58.2 0.2 1 100 . 9 LYS CB C 33.0 0.2 1 101 . 9 LYS CG C 24.8 0.2 1 102 . 9 LYS CD C 29.1 0.2 1 103 . 9 LYS CE C 42.1 0.2 1 104 . 9 LYS N N 119.8 0.2 1 105 . 10 LEU H H 7.78 0.01 1 106 . 10 LEU HA H 4.25 0.01 1 107 . 10 LEU HB2 H 1.58 0.01 2 108 . 10 LEU HB3 H 1.73 0.01 2 109 . 10 LEU HG H 1.65 0.01 1 110 . 10 LEU HD1 H 0.87 0.01 2 111 . 10 LEU HD2 H 0.92 0.01 2 112 . 10 LEU CA C 56.6 0.2 1 113 . 10 LEU CB C 42.1 0.2 1 114 . 10 LEU CG C 26.9 0.2 1 115 . 10 LEU CD1 C 23.8 0.2 2 116 . 10 LEU CD2 C 24.9 0.2 2 117 . 10 LEU N N 119.9 0.2 1 118 . 11 PHE H H 8.03 0.01 1 119 . 11 PHE HA H 4.39 0.01 1 120 . 11 PHE HB2 H 3.15 0.01 1 121 . 11 PHE HB3 H 3.15 0.01 1 122 . 11 PHE HD1 H 7.21 0.01 1 123 . 11 PHE HD2 H 7.21 0.01 1 124 . 11 PHE HE1 H 7.25 0.01 1 125 . 11 PHE HE2 H 7.25 0.01 1 126 . 11 PHE CA C 59.6 0.2 1 127 . 11 PHE CB C 39.3 0.2 1 128 . 11 PHE CD1 C 131.5 0.2 1 129 . 11 PHE CD2 C 131.5 0.2 1 130 . 11 PHE N N 119.3 0.2 1 131 . 12 VAL H H 8.12 0.01 1 132 . 12 VAL HA H 3.76 0.01 1 133 . 12 VAL HB H 2.15 0.01 1 134 . 12 VAL HG1 H 0.97 0.01 2 135 . 12 VAL HG2 H 1.05 0.01 2 136 . 12 VAL CA C 64.9 0.2 1 137 . 12 VAL CB C 32.0 0.2 1 138 . 12 VAL CG1 C 21.3 0.2 2 139 . 12 VAL CG2 C 21.9 0.2 2 140 . 12 VAL N N 119.5 0.2 1 141 . 13 ASP H H 8.37 0.01 1 142 . 13 ASP HA H 4.50 0.01 1 143 . 13 ASP HB2 H 2.70 0.01 2 144 . 13 ASP HB3 H 2.78 0.01 2 145 . 13 ASP CA C 56.2 0.2 1 146 . 13 ASP CB C 40.5 0.2 1 147 . 13 ASP N N 121.5 0.2 1 148 . 14 LYS H H 8.11 0.01 1 149 . 14 LYS HA H 4.21 0.01 1 150 . 14 LYS HB2 H 1.81 0.01 2 151 . 14 LYS HB3 H 1.91 0.01 2 152 . 14 LYS HG2 H 1.48 0.01 1 153 . 14 LYS HG3 H 1.48 0.01 1 154 . 14 LYS HD2 H 1.55 0.01 1 155 . 14 LYS HD3 H 1.55 0.01 1 156 . 14 LYS HE2 H 2.95 0.01 1 157 . 14 LYS HE3 H 2.95 0.01 1 158 . 14 LYS CA C 57.4 0.2 1 159 . 14 LYS CB C 32.8 0.2 1 160 . 14 LYS CG C 24.6 0.2 1 161 . 14 LYS CD C 29.1 0.2 1 162 . 14 LYS CE C 41.9 0.2 1 163 . 14 LYS N N 120.7 0.2 1 164 . 15 ILE H H 8.13 0.01 1 165 . 15 ILE HA H 3.90 0.01 1 166 . 15 ILE HB H 1.91 0.01 1 167 . 15 ILE HG12 H 1.47 0.01 2 168 . 15 ILE HG13 H 1.08 0.01 2 169 . 15 ILE HG2 H 0.88 0.01 1 170 . 15 ILE HD1 H 0.73 0.01 1 171 . 15 ILE CA C 63.3 0.2 1 172 . 15 ILE CB C 37.6 0.2 1 173 . 15 ILE CG1 C 28.3 0.2 1 174 . 15 ILE CG2 C 17.6 0.2 1 175 . 15 ILE CD1 C 12.9 0.2 1 176 . 15 ILE N N 120.6 0.2 1 177 . 16 ARG H H 8.19 0.01 1 178 . 16 ARG HA H 4.12 0.01 1 179 . 16 ARG HB2 H 1.91 0.01 1 180 . 16 ARG HB3 H 1.91 0.01 1 181 . 16 ARG HG2 H 1.33 0.01 1 182 . 16 ARG HG3 H 1.33 0.01 1 183 . 16 ARG HD2 H 3.23 0.01 1 184 . 16 ARG HD3 H 3.23 0.01 1 185 . 16 ARG CA C 58.3 0.2 1 186 . 16 ARG CB C 30.4 0.2 1 187 . 16 ARG CG C 27.5 0.2 1 188 . 16 ARG CD C 43.3 0.2 1 189 . 16 ARG N N 121.8 0.2 1 190 . 17 GLU H H 8.19 0.01 1 191 . 17 GLU HA H 4.15 0.01 1 192 . 17 GLU HB2 H 2.09 0.01 1 193 . 17 GLU HB3 H 2.09 0.01 1 194 . 17 GLU HG2 H 2.18 0.01 2 195 . 17 GLU HG3 H 2.34 0.01 2 196 . 17 GLU CA C 58.1 0.2 1 197 . 17 GLU CB C 30.1 0.2 1 198 . 17 GLU CG C 36.1 0.2 1 199 . 17 GLU N N 120.5 0.2 1 200 . 18 TYR H H 8.19 0.01 1 201 . 18 TYR HA H 4.39 0.01 1 202 . 18 TYR HB2 H 3.12 0.01 1 203 . 18 TYR HB3 H 3.12 0.01 1 204 . 18 TYR HD1 H 7.10 0.01 1 205 . 18 TYR HD2 H 7.10 0.01 1 206 . 18 TYR HE1 H 6.80 0.01 1 207 . 18 TYR HE2 H 6.80 0.01 1 208 . 18 TYR CA C 59.6 0.2 1 209 . 18 TYR CB C 38.8 0.2 1 210 . 18 TYR CD1 C 132.8 0.2 1 211 . 18 TYR CD2 C 132.8 0.2 1 212 . 18 TYR CE1 C 118.2 0.2 1 213 . 18 TYR CE2 C 118.2 0.2 1 214 . 18 TYR N N 120.6 0.2 1 215 . 19 ARG H H 8.32 0.01 1 216 . 19 ARG HA H 4.18 0.01 1 217 . 19 ARG HB2 H 1.89 0.01 2 218 . 19 ARG HB3 H 1.94 0.01 2 219 . 19 ARG HG2 H 1.65 0.01 2 220 . 19 ARG HG3 H 1.78 0.01 2 221 . 19 ARG HD2 H 3.19 0.01 1 222 . 19 ARG HD3 H 3.19 0.01 1 223 . 19 ARG CA C 57.6 0.2 1 224 . 19 ARG CB C 30.3 0.2 1 225 . 19 ARG CG C 27.2 0.2 1 226 . 19 ARG CD C 43.4 0.2 1 227 . 19 ARG N N 119.9 0.2 1 228 . 20 THR H H 8.10 0.01 1 229 . 20 THR HA H 4.24 0.01 1 230 . 20 THR HB H 4.30 0.01 1 231 . 20 THR HG2 H 1.28 0.01 1 232 . 20 THR CA C 63.5 0.2 1 233 . 20 THR CB C 69.5 0.2 1 234 . 20 THR CG2 C 21.6 0.2 1 235 . 20 THR N N 114.0 0.2 1 236 . 21 LYS H H 8.12 0.01 1 237 . 21 LYS HA H 4.28 0.01 1 238 . 21 LYS HB2 H 1.83 0.01 1 239 . 21 LYS HB3 H 1.83 0.01 1 240 . 21 LYS HG2 H 1.43 0.01 2 241 . 21 LYS HG3 H 1.51 0.01 2 242 . 21 LYS HD2 H 1.65 0.01 1 243 . 21 LYS HD3 H 1.65 0.01 1 244 . 21 LYS HE2 H 2.98 0.01 1 245 . 21 LYS HE3 H 2.98 0.01 1 246 . 21 LYS CA C 57.2 0.2 1 247 . 21 LYS CB C 32.6 0.2 1 248 . 21 LYS CG C 25.0 0.2 1 249 . 21 LYS CD C 29.2 0.2 1 250 . 21 LYS CE C 42.0 0.2 1 251 . 21 LYS N N 122.8 0.2 1 252 . 22 ARG H H 8.16 0.01 1 253 . 22 ARG HA H 4.30 0.01 1 254 . 22 ARG HB2 H 1.76 0.01 2 255 . 22 ARG HB3 H 1.85 0.01 2 256 . 22 ARG HG2 H 1.57 0.01 1 257 . 22 ARG HG3 H 1.57 0.01 1 258 . 22 ARG HD2 H 3.13 0.01 1 259 . 22 ARG HD3 H 3.13 0.01 1 260 . 22 ARG CA C 56.5 0.2 1 261 . 22 ARG CB C 30.5 0.2 1 262 . 22 ARG CG C 27.1 0.2 1 263 . 22 ARG CD C 43.1 0.2 1 264 . 22 ARG N N 120.8 0.2 1 265 . 23 GLN H H 8.33 0.01 1 266 . 23 GLN HA H 4.41 0.01 1 267 . 23 GLN HB2 H 2.09 0.01 2 268 . 23 GLN HB3 H 2.19 0.01 2 269 . 23 GLN HG2 H 2.43 0.01 1 270 . 23 GLN HG3 H 2.43 0.01 1 271 . 23 GLN HE21 H 6.89 0.01 2 272 . 23 GLN HE22 H 7.54 0.01 2 273 . 23 GLN CA C 56.2 0.2 1 274 . 23 GLN CB C 29.3 0.2 1 275 . 23 GLN CG C 33.9 0.2 1 276 . 23 GLN N N 120.8 0.2 1 277 . 23 GLN NE2 N 112.0 0.2 1 278 . 24 THR H H 8.21 0.01 1 279 . 24 THR HA H 4.45 0.01 1 280 . 24 THR HB H 4.34 0.01 1 281 . 24 THR HG2 H 1.25 0.01 1 282 . 24 THR CA C 61.9 0.2 1 283 . 24 THR CB C 69.9 0.2 1 284 . 24 THR CG2 C 21.5 0.2 1 285 . 24 THR N N 114.3 0.2 1 286 . 25 SER H H 8.36 0.01 1 287 . 25 SER HA H 4.54 0.01 1 288 . 25 SER HB2 H 3.95 0.01 1 289 . 25 SER HB3 H 3.95 0.01 1 290 . 25 SER CA C 58.6 0.2 1 291 . 25 SER CB C 63.8 0.2 1 292 . 25 SER N N 117.5 0.2 1 293 . 26 GLY H H 8.46 0.01 1 294 . 26 GLY HA2 H 4.02 0.01 2 295 . 26 GLY HA3 H 4.08 0.01 2 296 . 26 GLY CA C 45.2 0.2 1 297 . 26 GLY N N 110.7 0.2 1 298 . 27 GLY H H 8.15 0.01 1 299 . 27 GLY HA2 H 4.07 0.01 2 300 . 27 GLY HA3 H 4.18 0.01 2 301 . 27 GLY CA C 44.3 0.2 1 302 . 27 GLY N N 108.9 0.2 1 303 . 28 PRO HA H 4.51 0.01 1 304 . 28 PRO HB2 H 1.95 0.01 2 305 . 28 PRO HB3 H 2.28 0.01 2 306 . 28 PRO HG2 H 2.03 0.01 1 307 . 28 PRO HG3 H 2.03 0.01 1 308 . 28 PRO HD2 H 3.62 0.01 1 309 . 28 PRO HD3 H 3.62 0.01 1 310 . 28 PRO CA C 63.1 0.2 1 311 . 28 PRO CB C 32.2 0.2 1 312 . 28 PRO CG C 27.1 0.2 1 313 . 28 PRO CD C 49.6 0.2 1 314 . 29 VAL H H 8.28 0.01 1 315 . 29 VAL HA H 4.12 0.01 1 316 . 29 VAL HB H 2.10 0.01 1 317 . 29 VAL HG1 H 0.96 0.01 1 318 . 29 VAL HG2 H 0.96 0.01 1 319 . 29 VAL CA C 62.3 0.2 1 320 . 29 VAL CB C 32.9 0.2 1 321 . 29 VAL CG1 C 20.4 0.2 1 322 . 29 VAL CG2 C 20.4 0.2 1 323 . 29 VAL N N 119.7 0.2 1 324 . 30 ASP H H 8.29 0.01 1 325 . 30 ASP HA H 4.58 0.01 1 326 . 30 ASP HB2 H 2.61 0.01 2 327 . 30 ASP HB3 H 2.66 0.01 2 328 . 30 ASP CA C 54.0 0.2 1 329 . 30 ASP CB C 41.1 0.2 1 330 . 30 ASP N N 123.1 0.2 1 331 . 31 ALA H H 8.13 0.01 1 332 . 31 ALA HA H 4.35 0.01 1 333 . 31 ALA HB H 1.36 0.01 1 334 . 31 ALA CA C 52.2 0.2 1 335 . 31 ALA CB C 19.6 0.2 1 336 . 31 ALA N N 124.2 0.2 1 337 . 32 GLY H H 8.33 0.01 1 338 . 32 GLY HA2 H 4.18 0.01 1 339 . 32 GLY HA3 H 4.18 0.01 1 340 . 32 GLY CA C 44.6 0.2 1 341 . 32 GLY N N 108.2 0.2 1 342 . 33 PRO HA H 4.42 0.01 1 343 . 33 PRO HB2 H 1.89 0.01 2 344 . 33 PRO HB3 H 2.29 0.01 2 345 . 33 PRO HG2 H 2.03 0.01 1 346 . 33 PRO HG3 H 2.03 0.01 1 347 . 33 PRO HD2 H 3.66 0.01 2 348 . 33 PRO HD3 H 3.73 0.01 2 349 . 33 PRO CA C 63.9 0.2 1 350 . 33 PRO CB C 32.0 0.2 1 351 . 33 PRO CG C 27.2 0.2 1 352 . 33 PRO CD C 49.8 0.2 1 353 . 34 GLU H H 8.83 0.01 1 354 . 34 GLU HA H 4.20 0.01 1 355 . 34 GLU HB2 H 1.94 0.01 2 356 . 34 GLU HB3 H 2.00 0.01 2 357 . 34 GLU HG2 H 2.22 0.01 2 358 . 34 GLU HG3 H 2.27 0.01 2 359 . 34 GLU CA C 57.7 0.2 1 360 . 34 GLU CB C 29.3 0.2 1 361 . 34 GLU CG C 36.2 0.2 1 362 . 34 GLU N N 120.0 0.2 1 363 . 35 TYR H H 7.98 0.01 1 364 . 35 TYR HA H 4.52 0.01 1 365 . 35 TYR HB2 H 3.06 0.01 1 366 . 35 TYR HB3 H 3.06 0.01 1 367 . 35 TYR HD1 H 7.12 0.01 1 368 . 35 TYR HD2 H 7.12 0.01 1 369 . 35 TYR HE1 H 6.83 0.01 1 370 . 35 TYR HE2 H 6.83 0.01 1 371 . 35 TYR CA C 58.9 0.2 1 372 . 35 TYR CB C 38.5 0.2 1 373 . 35 TYR CD1 C 133.0 0.2 1 374 . 35 TYR CD2 C 133.0 0.2 1 375 . 35 TYR CE1 C 118.2 0.2 1 376 . 35 TYR CE2 C 118.2 0.2 1 377 . 35 TYR N N 120.1 0.2 1 378 . 36 GLN H H 8.15 0.01 1 379 . 36 GLN HA H 4.10 0.01 1 380 . 36 GLN HB2 H 2.05 0.01 2 381 . 36 GLN HB3 H 2.10 0.01 2 382 . 36 GLN HG2 H 2.37 0.01 1 383 . 36 GLN HG3 H 2.37 0.01 1 384 . 36 GLN HE21 H 6.82 0.01 2 385 . 36 GLN HE22 H 7.69 0.01 2 386 . 36 GLN CA C 57.0 0.2 1 387 . 36 GLN CB C 29.0 0.2 1 388 . 36 GLN CG C 33.6 0.2 1 389 . 36 GLN N N 120.8 0.2 1 390 . 36 GLN NE2 N 113.0 0.2 1 391 . 37 GLN H H 8.27 0.01 1 392 . 37 GLN HA H 4.24 0.01 1 393 . 37 GLN HB2 H 2.10 0.01 1 394 . 37 GLN HB3 H 2.10 0.01 1 395 . 37 GLN HG2 H 2.44 0.01 1 396 . 37 GLN HG3 H 2.44 0.01 1 397 . 37 GLN HE21 H 6.89 0.01 2 398 . 37 GLN HE22 H 7.58 0.01 2 399 . 37 GLN CA C 57.4 0.2 1 400 . 37 GLN CB C 29.1 0.2 1 401 . 37 GLN CG C 33.9 0.2 1 402 . 37 GLN N N 119.7 0.2 1 403 . 37 GLN NE2 N 112.0 0.2 1 404 . 38 ASP H H 8.31 0.01 1 405 . 38 ASP HA H 4.55 0.01 1 406 . 38 ASP HB2 H 2.75 0.01 1 407 . 38 ASP HB3 H 2.75 0.01 1 408 . 38 ASP CA C 55.7 0.2 1 409 . 38 ASP CB C 41.0 0.2 1 410 . 38 ASP N N 120.8 0.2 1 411 . 39 LEU H H 8.07 0.01 1 412 . 39 LEU HA H 4.08 0.01 1 413 . 39 LEU HB2 H 1.56 0.01 2 414 . 39 LEU HB3 H 1.61 0.01 2 415 . 39 LEU HG H 1.50 0.01 1 416 . 39 LEU HD1 H 0.83 0.01 1 417 . 39 LEU HD2 H 0.83 0.01 1 418 . 39 LEU CA C 57.2 0.2 1 419 . 39 LEU CB C 41.8 0.2 1 420 . 39 LEU CG C 27.0 0.2 1 421 . 39 LEU CD1 C 23.7 0.2 2 422 . 39 LEU CD2 C 24.3 0.2 2 423 . 39 LEU N N 122.1 0.2 1 424 . 40 ASP H H 8.32 0.01 1 425 . 40 ASP HA H 4.48 0.01 1 426 . 40 ASP HB2 H 2.71 0.01 2 427 . 40 ASP HB3 H 2.77 0.01 2 428 . 40 ASP CA C 56.5 0.2 1 429 . 40 ASP CB C 40.7 0.2 1 430 . 40 ASP N N 119.5 0.2 1 431 . 41 ARG H H 8.07 0.01 1 432 . 41 ARG HA H 4.15 0.01 1 433 . 41 ARG HB2 H 1.99 0.01 1 434 . 41 ARG HB3 H 1.99 0.01 1 435 . 41 ARG HG2 H 1.64 0.01 2 436 . 41 ARG HG3 H 1.81 0.01 2 437 . 41 ARG HD2 H 3.26 0.01 1 438 . 41 ARG HD3 H 3.26 0.01 1 439 . 41 ARG CA C 58.7 0.2 1 440 . 41 ARG CB C 30.2 0.2 1 441 . 41 ARG CG C 27.5 0.2 1 442 . 41 ARG CD C 43.3 0.2 1 443 . 41 ARG N N 120.6 0.2 1 444 . 42 GLU H H 8.18 0.01 1 445 . 42 GLU HA H 4.20 0.01 1 446 . 42 GLU HB2 H 2.10 0.01 1 447 . 42 GLU HB3 H 2.10 0.01 1 448 . 42 GLU HG2 H 2.35 0.01 1 449 . 42 GLU HG3 H 2.35 0.01 1 450 . 42 GLU CA C 58.6 0.2 1 451 . 42 GLU CB C 29.1 0.2 1 452 . 42 GLU CG C 36.1 0.2 1 453 . 42 GLU N N 119.8 0.2 1 454 . 43 LEU H H 8.36 0.01 1 455 . 43 LEU HA H 4.10 0.01 1 456 . 43 LEU HB2 H 1.57 0.01 2 457 . 43 LEU HB3 H 1.79 0.01 2 458 . 43 LEU HG H 1.69 0.01 1 459 . 43 LEU HD1 H 0.83 0.01 2 460 . 43 LEU HD2 H 0.89 0.01 2 461 . 43 LEU CA C 57.4 0.2 1 462 . 43 LEU CB C 41.4 0.2 1 463 . 43 LEU CG C 26.9 0.2 1 464 . 43 LEU CD1 C 24.4 0.2 2 465 . 43 LEU CD2 C 24.8 0.2 2 466 . 43 LEU N N 120.2 0.2 1 467 . 44 PHE H H 8.15 0.01 1 468 . 44 PHE HA H 4.28 0.01 1 469 . 44 PHE HB2 H 3.24 0.01 1 470 . 44 PHE HB3 H 3.24 0.01 1 471 . 44 PHE HD1 H 7.26 0.01 1 472 . 44 PHE HD2 H 7.26 0.01 1 473 . 44 PHE HE1 H 7.35 0.01 1 474 . 44 PHE HE2 H 7.35 0.01 1 475 . 44 PHE CA C 60.6 0.2 1 476 . 44 PHE CB C 38.8 0.2 1 477 . 44 PHE CD1 C 132.4 0.2 1 478 . 44 PHE CD2 C 132.4 0.2 1 479 . 44 PHE CE1 C 131.5 0.2 1 480 . 44 PHE CE2 C 131.5 0.2 1 481 . 44 PHE N N 119.5 0.2 1 482 . 45 LYS H H 7.91 0.01 1 483 . 45 LYS HA H 4.04 0.01 1 484 . 45 LYS HB2 H 1.96 0.01 1 485 . 45 LYS HB3 H 1.96 0.01 1 486 . 45 LYS HG2 H 1.45 0.01 2 487 . 45 LYS HG3 H 1.64 0.01 2 488 . 45 LYS HD2 H 1.75 0.01 1 489 . 45 LYS HD3 H 1.75 0.01 1 490 . 45 LYS HE2 H 2.99 0.01 1 491 . 45 LYS HE3 H 2.99 0.01 1 492 . 45 LYS CA C 58.7 0.2 1 493 . 45 LYS CB C 32.4 0.2 1 494 . 45 LYS CG C 25.1 0.2 1 495 . 45 LYS CD C 29.1 0.2 1 496 . 45 LYS CE C 42.0 0.2 1 497 . 45 LYS N N 119.3 0.2 1 498 . 46 LEU H H 7.96 0.01 1 499 . 46 LEU HA H 4.17 0.01 1 500 . 46 LEU HB2 H 1.57 0.01 2 501 . 46 LEU HB3 H 1.86 0.01 2 502 . 46 LEU HG H 1.79 0.01 1 503 . 46 LEU HD1 H 0.89 0.01 2 504 . 46 LEU HD2 H 0.90 0.01 2 505 . 46 LEU CA C 57.2 0.2 1 506 . 46 LEU CB C 42.0 0.2 1 507 . 46 LEU CG C 26.9 0.2 1 508 . 46 LEU CD1 C 23.8 0.2 2 509 . 46 LEU CD2 C 25.3 0.2 2 510 . 46 LEU N N 120.1 0.2 1 511 . 47 LYS H H 8.15 0.01 1 512 . 47 LYS HA H 3.99 0.01 1 513 . 47 LYS HB2 H 1.83 0.01 1 514 . 47 LYS HB3 H 1.83 0.01 1 515 . 47 LYS HG2 H 1.33 0.01 2 516 . 47 LYS HG3 H 1.50 0.01 2 517 . 47 LYS HD2 H 1.64 0.01 1 518 . 47 LYS HD3 H 1.64 0.01 1 519 . 47 LYS HE2 H 2.92 0.01 1 520 . 47 LYS HE3 H 2.92 0.01 1 521 . 47 LYS CA C 58.7 0.2 1 522 . 47 LYS CB C 32.4 0.2 1 523 . 47 LYS CG C 25.3 0.2 1 524 . 47 LYS CD C 28.9 0.2 1 525 . 47 LYS CE C 42.0 0.2 1 526 . 47 LYS N N 119.3 0.2 1 527 . 48 GLN H H 7.95 0.01 1 528 . 48 GLN HA H 4.06 0.01 1 529 . 48 GLN HB2 H 1.97 0.01 1 530 . 48 GLN HB3 H 1.97 0.01 1 531 . 48 GLN HG2 H 2.12 0.01 2 532 . 48 GLN HG3 H 2.17 0.01 2 533 . 48 GLN HE21 H 6.85 0.01 2 534 . 48 GLN HE22 H 7.19 0.01 2 535 . 48 GLN CA C 57.2 0.2 1 536 . 48 GLN CB C 28.9 0.2 1 537 . 48 GLN CG C 33.9 0.2 1 538 . 48 GLN N N 118.0 0.2 1 539 . 48 GLN NE2 N 112.5 0.2 1 540 . 49 MET H H 7.93 0.01 1 541 . 49 MET HA H 4.22 0.01 1 542 . 49 MET HB2 H 1.86 0.01 2 543 . 49 MET HB3 H 1.97 0.01 2 544 . 49 MET HG2 H 2.32 0.01 2 545 . 49 MET HG3 H 2.48 0.01 2 546 . 49 MET HE H 2.01 0.01 1 547 . 49 MET CA C 57.2 0.2 1 548 . 49 MET CB C 33.1 0.2 1 549 . 49 MET CG C 31.7 0.2 1 550 . 49 MET CE C 16.8 0.2 1 551 . 49 MET N N 118.3 0.2 1 552 . 50 TYR H H 8.04 0.01 1 553 . 50 TYR HA H 4.60 0.01 1 554 . 50 TYR HB2 H 2.89 0.01 2 555 . 50 TYR HB3 H 3.19 0.01 2 556 . 50 TYR HD1 H 7.15 0.01 1 557 . 50 TYR HD2 H 7.15 0.01 1 558 . 50 TYR HE1 H 6.80 0.01 1 559 . 50 TYR HE2 H 6.80 0.01 1 560 . 50 TYR CA C 58.4 0.2 1 561 . 50 TYR CB C 38.8 0.2 1 562 . 50 TYR CD1 C 132.9 0.2 1 563 . 50 TYR CD2 C 132.9 0.2 1 564 . 50 TYR CE1 C 118.2 0.2 1 565 . 50 TYR CE2 C 118.2 0.2 1 566 . 50 TYR N N 117.8 0.2 1 567 . 51 GLY H H 8.14 0.01 1 568 . 51 GLY HA2 H 3.96 0.01 1 569 . 51 GLY HA3 H 3.96 0.01 1 570 . 51 GLY CA C 45.7 0.2 1 571 . 51 GLY N N 109.0 0.2 1 572 . 52 LYS H H 8.02 0.01 1 573 . 52 LYS HA H 4.38 0.01 1 574 . 52 LYS HB2 H 1.92 0.01 1 575 . 52 LYS HB3 H 1.92 0.01 1 576 . 52 LYS HG2 H 1.42 0.01 1 577 . 52 LYS HG3 H 1.42 0.01 1 578 . 52 LYS HD2 H 1.76 0.01 1 579 . 52 LYS HD3 H 1.76 0.01 1 580 . 52 LYS HE2 H 3.02 0.01 1 581 . 52 LYS HE3 H 3.02 0.01 1 582 . 52 LYS CA C 55.9 0.2 1 583 . 52 LYS CB C 33.0 0.2 1 584 . 52 LYS CG C 25.7 0.2 1 585 . 52 LYS CD C 29.1 0.2 1 586 . 52 LYS CE C 42.1 0.2 1 587 . 52 LYS N N 120.0 0.2 1 588 . 53 ALA H H 8.25 0.01 1 589 . 53 ALA HA H 4.30 0.01 1 590 . 53 ALA HB H 1.39 0.01 1 591 . 53 ALA CA C 52.6 0.2 1 592 . 53 ALA CB C 19.3 0.2 1 593 . 53 ALA N N 124.1 0.2 1 594 . 54 ASP H H 8.27 0.01 1 595 . 54 ASP HA H 4.61 0.01 1 596 . 54 ASP HB2 H 2.69 0.01 2 597 . 54 ASP HB3 H 2.76 0.01 2 598 . 54 ASP CA C 54.1 0.2 1 599 . 54 ASP CB C 41.1 0.2 1 600 . 54 ASP N N 118.7 0.2 1 601 . 55 MET H H 8.29 0.01 1 602 . 55 MET HA H 4.41 0.01 1 603 . 55 MET HB2 H 2.00 0.01 2 604 . 55 MET HB3 H 2.12 0.01 2 605 . 55 MET HG2 H 2.50 0.01 2 606 . 55 MET HG3 H 2.59 0.01 2 607 . 55 MET HE H 1.93 0.01 1 608 . 55 MET CA C 55.9 0.2 1 609 . 55 MET CB C 32.4 0.2 1 610 . 55 MET CG C 32.0 0.2 1 611 . 55 MET CE C 16.9 0.2 1 612 . 55 MET N N 120.4 0.2 1 613 . 56 ASN H H 8.48 0.01 1 614 . 56 ASN HA H 4.70 0.01 1 615 . 56 ASN HB2 H 2.81 0.01 1 616 . 56 ASN HB3 H 2.81 0.01 1 617 . 56 ASN HD21 H 6.92 0.01 2 618 . 56 ASN HD22 H 7.68 0.01 2 619 . 56 ASN CA C 53.8 0.2 1 620 . 56 ASN CB C 38.9 0.2 1 621 . 56 ASN N N 118.6 0.2 1 622 . 56 ASN ND2 N 113.2 0.2 1 623 . 57 THR H H 7.84 0.01 1 624 . 57 THR HA H 4.27 0.01 1 625 . 57 THR HB H 4.13 0.01 1 626 . 57 THR HG2 H 1.08 0.01 1 627 . 57 THR CA C 61.8 0.2 1 628 . 57 THR CB C 69.7 0.2 1 629 . 57 THR CG2 C 21.6 0.2 1 630 . 57 THR N N 112.9 0.2 1 631 . 58 PHE H H 8.13 0.01 1 632 . 58 PHE HA H 4.83 0.01 1 633 . 58 PHE HB2 H 2.96 0.01 2 634 . 58 PHE HB3 H 3.12 0.01 2 635 . 58 PHE HD1 H 7.26 0.01 1 636 . 58 PHE HD2 H 7.26 0.01 1 637 . 58 PHE HE1 H 7.30 0.01 1 638 . 58 PHE HE2 H 7.30 0.01 1 639 . 58 PHE CA C 55.7 0.2 1 640 . 58 PHE CB C 39.1 0.2 1 641 . 58 PHE CE1 C 131.2 0.2 1 642 . 58 PHE CE2 C 131.2 0.2 1 643 . 58 PHE N N 122.7 0.2 1 644 . 59 PRO HA H 4.38 0.01 1 645 . 59 PRO HB2 H 1.70 0.01 2 646 . 59 PRO HB3 H 2.16 0.01 2 647 . 59 PRO HG2 H 1.91 0.01 1 648 . 59 PRO HG3 H 1.91 0.01 1 649 . 59 PRO HD2 H 3.41 0.01 2 650 . 59 PRO HD3 H 3.71 0.01 2 651 . 59 PRO CA C 63.2 0.2 1 652 . 59 PRO CB C 31.8 0.2 1 653 . 59 PRO CG C 27.2 0.2 1 654 . 59 PRO CD C 50.4 0.2 1 655 . 60 ASN H H 8.34 0.01 1 656 . 60 ASN HA H 4.65 0.01 1 657 . 60 ASN HB2 H 2.72 0.01 2 658 . 60 ASN HB3 H 2.78 0.01 2 659 . 60 ASN HD21 H 6.91 0.01 2 660 . 60 ASN HD22 H 7.59 0.01 2 661 . 60 ASN CA C 53.1 0.2 1 662 . 60 ASN CB C 38.7 0.2 1 663 . 60 ASN N N 117.7 0.2 1 664 . 60 ASN ND2 N 112.9 0.2 1 665 . 61 PHE H H 8.07 0.01 1 666 . 61 PHE HA H 4.63 0.01 1 667 . 61 PHE HB2 H 2.95 0.01 2 668 . 61 PHE HB3 H 3.04 0.01 2 669 . 61 PHE HD1 H 7.15 0.01 1 670 . 61 PHE HD2 H 7.15 0.01 1 671 . 61 PHE HE1 H 7.20 0.01 1 672 . 61 PHE HE2 H 7.20 0.01 1 673 . 61 PHE CA C 57.5 0.2 1 674 . 61 PHE CB C 39.6 0.2 1 675 . 61 PHE CD1 C 131.5 0.2 1 676 . 61 PHE CD2 C 131.5 0.2 1 677 . 61 PHE N N 120.3 0.2 1 678 . 62 THR H H 7.96 0.01 1 679 . 62 THR HA H 4.30 0.01 1 680 . 62 THR HB H 4.11 0.01 1 681 . 62 THR HG2 H 1.11 0.01 1 682 . 62 THR CA C 61.4 0.2 1 683 . 62 THR CB C 69.9 0.2 1 684 . 62 THR CG2 C 21.4 0.2 1 685 . 62 THR N N 115.7 0.2 1 686 . 63 PHE H H 8.17 0.01 1 687 . 63 PHE HA H 4.56 0.01 1 688 . 63 PHE HB2 H 2.98 0.01 2 689 . 63 PHE HB3 H 3.13 0.01 2 690 . 63 PHE HD1 H 7.24 0.01 1 691 . 63 PHE HD2 H 7.24 0.01 1 692 . 63 PHE HE1 H 7.31 0.01 1 693 . 63 PHE HE2 H 7.31 0.01 1 694 . 63 PHE CA C 57.7 0.2 1 695 . 63 PHE CB C 39.4 0.2 1 696 . 63 PHE CD1 C 131.6 0.2 1 697 . 63 PHE CD2 C 131.6 0.2 1 698 . 63 PHE CE1 C 131.5 0.2 1 699 . 63 PHE CE2 C 131.5 0.2 1 700 . 63 PHE N N 121.8 0.2 1 701 . 64 GLU H H 8.24 0.01 1 702 . 64 GLU HA H 4.30 0.01 1 703 . 64 GLU HB2 H 1.87 0.01 2 704 . 64 GLU HB3 H 2.00 0.01 2 705 . 64 GLU HG2 H 2.20 0.01 1 706 . 64 GLU HG3 H 2.20 0.01 1 707 . 64 GLU CA C 56.1 0.2 1 708 . 64 GLU CB C 30.5 0.2 1 709 . 64 GLU CG C 36.1 0.2 1 710 . 64 GLU N N 121.9 0.2 1 711 . 65 ASP H H 8.30 0.01 1 712 . 65 ASP HA H 4.80 0.01 1 713 . 65 ASP HB2 H 2.53 0.01 2 714 . 65 ASP HB3 H 2.76 0.01 2 715 . 65 ASP CA C 52.3 0.2 1 716 . 65 ASP CB C 41.3 0.2 1 717 . 65 ASP N N 123.1 0.2 1 718 . 66 PRO HA H 4.39 0.01 1 719 . 66 PRO HB2 H 1.82 0.01 2 720 . 66 PRO HB3 H 2.24 0.01 2 721 . 66 PRO HG2 H 2.00 0.01 1 722 . 66 PRO HG3 H 2.00 0.01 1 723 . 66 PRO HD2 H 3.81 0.01 2 724 . 66 PRO HD3 H 3.87 0.01 2 725 . 66 PRO CA C 63.4 0.2 1 726 . 66 PRO CB C 32.0 0.2 1 727 . 66 PRO CG C 27.2 0.2 1 728 . 66 PRO CD C 50.7 0.2 1 729 . 67 LYS H H 8.40 0.01 1 730 . 67 LYS HA H 4.24 0.01 1 731 . 67 LYS HB2 H 1.71 0.01 1 732 . 67 LYS HB3 H 1.71 0.01 1 733 . 67 LYS HG2 H 1.31 0.01 1 734 . 67 LYS HG3 H 1.31 0.01 1 735 . 67 LYS HD2 H 1.64 0.01 1 736 . 67 LYS HD3 H 1.64 0.01 1 737 . 67 LYS HE2 H 2.97 0.01 1 738 . 67 LYS HE3 H 2.97 0.01 1 739 . 67 LYS CA C 56.2 0.2 1 740 . 67 LYS CB C 32.5 0.2 1 741 . 67 LYS CG C 24.6 0.2 1 742 . 67 LYS CD C 29.5 0.2 1 743 . 67 LYS CE C 42.0 0.2 1 744 . 67 LYS N N 120.2 0.2 1 745 . 68 PHE H H 8.03 0.01 1 746 . 68 PHE HA H 4.64 0.01 1 747 . 68 PHE HB2 H 3.01 0.01 2 748 . 68 PHE HB3 H 3.18 0.01 2 749 . 68 PHE HD1 H 7.26 0.01 1 750 . 68 PHE HD2 H 7.26 0.01 1 751 . 68 PHE HE1 H 7.35 0.01 1 752 . 68 PHE HE2 H 7.35 0.01 1 753 . 68 PHE CA C 57.5 0.2 1 754 . 68 PHE CB C 39.5 0.2 1 755 . 68 PHE CD1 C 131.5 0.2 1 756 . 68 PHE CD2 C 131.5 0.2 1 757 . 68 PHE CE1 C 131.6 0.2 1 758 . 68 PHE CE2 C 131.6 0.2 1 759 . 68 PHE N N 120.2 0.2 1 760 . 69 GLU H H 8.21 0.01 1 761 . 69 GLU HA H 4.31 0.01 1 762 . 69 GLU HB2 H 1.90 0.01 2 763 . 69 GLU HB3 H 2.00 0.01 2 764 . 69 GLU HG2 H 2.20 0.01 1 765 . 69 GLU HG3 H 2.20 0.01 1 766 . 69 GLU CA C 56.4 0.2 1 767 . 69 GLU CB C 30.6 0.2 1 768 . 69 GLU CG C 36.1 0.2 1 769 . 69 GLU N N 122.4 0.2 1 770 . 70 VAL H H 8.24 0.01 1 771 . 70 VAL HA H 4.12 0.01 1 772 . 70 VAL HB H 2.07 0.01 1 773 . 70 VAL HG1 H 0.99 0.01 1 774 . 70 VAL HG2 H 0.99 0.01 1 775 . 70 VAL CA C 62.3 0.2 1 776 . 70 VAL CB C 32.7 0.2 1 777 . 70 VAL CG1 C 20.8 0.2 1 778 . 70 VAL CG2 C 20.8 0.2 1 779 . 70 VAL N N 122.2 0.2 1 780 . 71 VAL H H 8.24 0.01 1 781 . 71 VAL HA H 4.17 0.01 1 782 . 71 VAL HB H 2.07 0.01 1 783 . 71 VAL HG1 H 0.95 0.01 1 784 . 71 VAL HG2 H 0.95 0.01 1 785 . 71 VAL CA C 61.9 0.2 1 786 . 71 VAL CB C 32.9 0.2 1 787 . 71 VAL CG1 C 21.1 0.2 1 788 . 71 VAL CG2 C 21.1 0.2 1 789 . 71 VAL N N 124.8 0.2 1 790 . 72 GLU H H 8.50 0.01 1 791 . 72 GLU HA H 4.31 0.01 1 792 . 72 GLU HB2 H 1.93 0.01 2 793 . 72 GLU HB3 H 2.01 0.01 2 794 . 72 GLU HG2 H 2.22 0.01 2 795 . 72 GLU HG3 H 2.29 0.01 2 796 . 72 GLU CA C 56.3 0.2 1 797 . 72 GLU CB C 30.4 0.2 1 798 . 72 GLU CG C 36.1 0.2 1 799 . 72 GLU N N 125.5 0.2 1 800 . 73 LYS H H 8.42 0.01 1 801 . 73 LYS HA H 4.63 0.01 1 802 . 73 LYS HB2 H 1.65 0.01 2 803 . 73 LYS HB3 H 1.83 0.01 2 804 . 73 LYS HG2 H 1.49 0.01 1 805 . 73 LYS HG3 H 1.49 0.01 1 806 . 73 LYS HD2 H 1.74 0.01 1 807 . 73 LYS HD3 H 1.74 0.01 1 808 . 73 LYS HE2 H 2.94 0.01 1 809 . 73 LYS HE3 H 2.94 0.01 1 810 . 73 LYS CA C 54.0 0.2 1 811 . 73 LYS CB C 32.6 0.2 1 812 . 73 LYS CG C 24.6 0.2 1 813 . 73 LYS CD C 29.1 0.2 1 814 . 73 LYS CE C 42.1 0.2 1 815 . 73 LYS N N 124.2 0.2 1 816 . 74 PRO HA H 4.48 0.01 1 817 . 74 PRO HB2 H 1.97 0.01 2 818 . 74 PRO HB3 H 2.36 0.01 2 819 . 74 PRO HG2 H 2.08 0.01 1 820 . 74 PRO HG3 H 2.08 0.01 1 821 . 74 PRO HD2 H 3.67 0.01 2 822 . 74 PRO HD3 H 3.85 0.01 2 823 . 74 PRO CA C 63.0 0.2 1 824 . 74 PRO CB C 32.1 0.2 1 825 . 74 PRO CG C 27.4 0.2 1 826 . 74 PRO CD C 50.6 0.2 1 827 . 75 GLN H H 8.59 0.01 1 828 . 75 GLN HA H 4.38 0.01 1 829 . 75 GLN HB2 H 2.02 0.01 2 830 . 75 GLN HB3 H 2.20 0.01 2 831 . 75 GLN HG2 H 2.46 0.01 1 832 . 75 GLN HG3 H 2.46 0.01 1 833 . 75 GLN HE21 H 6.89 0.01 2 834 . 75 GLN HE22 H 7.66 0.01 2 835 . 75 GLN CA C 55.9 0.2 1 836 . 75 GLN CB C 29.6 0.2 1 837 . 75 GLN CG C 33.8 0.2 1 838 . 75 GLN N N 121.3 0.2 1 839 . 75 GLN NE2 N 113.0 0.2 1 840 . 76 SER H H 8.02 0.01 1 841 . 76 SER HA H 4.31 0.01 1 842 . 76 SER HB2 H 3.89 0.01 1 843 . 76 SER HB3 H 3.89 0.01 1 844 . 76 SER CA C 59.9 0.2 1 845 . 76 SER CB C 64.8 0.2 1 846 . 76 SER N N 122.7 0.2 1 stop_ save_