data_11031 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of phtotactic transducer protein HtrII linker region from Natronomonas pharaonis ; _BMRB_accession_number 11031 _BMRB_flat_file_name bmr11031.str _Entry_type original _Submission_date 2008-02-20 _Accession_date 2008-02-20 _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 Hayashi Kokoro . . 2 Sudo Yuki . . 3 Jee JunGoo . . 4 Mishima Masaki . . 5 Hara Hideyuki . . 6 Kamo Naoki . . 7 Kojima Chojiro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 333 "13C chemical shifts" 243 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-03-31 original author . stop_ _Original_release_date 2008-03-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Analysis of the Phototactic Transducer Protein HtrII Linker Region from Natoronomonas pharaonis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18001143 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hayashi Kokoro . . 2 Sudo Yuki . . 3 Jee JunGoo . . 4 Mishima Masaki . . 5 Hara Hideyuki . . 6 Kamo Naoki . . 7 Kojima Chojiro . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14380 _Page_last 14390 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name pHtrII _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label pHtrII(100-159) $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pHtrII(100-159) _Molecular_mass 7953.576 _Mol_thiol_state 'not present' loop_ _Biological_function phototaxis 'transducer protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; MGDGDLDVELETRREDEIGD LYAAFDEMRQSVRTSLEDAK NAREDAEQAQKRAEEINTEL LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 100 MET 2 101 GLY 3 102 ASP 4 103 GLY 5 104 ASP 6 105 LEU 7 106 ASP 8 107 VAL 9 108 GLU 10 109 LEU 11 110 GLU 12 111 THR 13 112 ARG 14 113 ARG 15 114 GLU 16 115 ASP 17 116 GLU 18 117 ILE 19 118 GLY 20 119 ASP 21 120 LEU 22 121 TYR 23 122 ALA 24 123 ALA 25 124 PHE 26 125 ASP 27 126 GLU 28 127 MET 29 128 ARG 30 129 GLN 31 130 SER 32 131 VAL 33 132 ARG 34 133 THR 35 134 SER 36 135 LEU 37 136 GLU 38 137 ASP 39 138 ALA 40 139 LYS 41 140 ASN 42 141 ALA 43 142 ARG 44 143 GLU 45 144 ASP 46 145 ALA 47 146 GLU 48 147 GLN 49 148 ALA 50 149 GLN 51 150 LYS 52 151 ARG 53 152 ALA 54 153 GLU 55 154 GLU 56 155 ILE 57 156 ASN 58 157 THR 59 158 GLU 60 159 LEU 61 160 LEU 62 161 GLU 63 162 HIS 64 163 HIS 65 164 HIS 66 165 HIS 67 166 HIS 68 167 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-13 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 2RM8 "The Solution Structure Of Phototactic Transducer Protein Htrii Linker Region From Natronomonas Pharaonis" 100.00 68 100.00 100.00 6.47e-39 PDB 4GYC 'Structure Of The Srii(d75n Mutant)/htrii Complex In I212121 Space Group ("u" Shape)' 52.94 135 100.00 100.00 1.36e-15 EMBL CAA84468 "sensory rhodopsin II transducer [Natronomonas pharaonis]" 88.24 534 100.00 100.00 1.04e-30 EMBL CAI50507 "sensory rhodopsin II transducer [Natronomonas pharaonis DSM 2160]" 88.24 534 100.00 100.00 1.13e-30 REF WP_049939883 "sensory rhodopsin II transducer [Natronomonas pharaonis]" 88.24 532 100.00 100.00 1.21e-30 SP P42259 "RecName: Full=Sensory rhodopsin II transducer; AltName: Full=HTR-II; AltName: Full=Methyl-accepting phototaxis protein II; Shor" 88.24 534 100.00 100.00 1.04e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Natronomonas pharaonis' 2257 Archaea . Natronomonas pharaonis 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3) vector pET21 ; pHtrII(1-159) was expressed in E.coli, and pHtrII(100-159) was obtained by trypsin digestion. ; 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 $entity . mM 0.6 0.8 '[U-100% 13C; U-100% 15N]' 'citric acid' 10 mM . . 'natural abundance' 'potassium chloride' 50 mM . . 'natural abundance' 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 $entity 0.8 mM '[U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM '[U-100% 15N]' 'citric acid' 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CACO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CACO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 5.0 . pH pressure 1 . atm temperature 277 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CACB' '3D HNCACO' '3D HNCO' '3D H(CACO)NH' '3D C(CO)NH' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name pHtrII(100-159) _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 1 100 1 MET HA H 3.866 0.02 1 2 100 1 MET HB2 H 1.838 0.02 2 3 100 1 MET HG2 H 2.284 0.02 2 4 100 1 MET C C 172.61 0.3 1 5 100 1 MET CA C 54.73 0.3 1 6 100 1 MET CB C 32.32 0.3 1 7 100 1 MET CG C 30.40 0.3 1 8 101 2 GLY H H 8.654 0.02 1 9 101 2 GLY HA2 H 3.678 0.02 2 10 101 2 GLY HA3 H 3.694 0.02 2 11 101 2 GLY C C 173.49 0.3 1 12 101 2 GLY CA C 44.88 0.3 1 13 101 2 GLY N N 112.3 0.4 1 14 102 3 ASP H H 8.306 0.02 1 15 102 3 ASP HA H 4.232 0.02 1 16 102 3 ASP HB2 H 2.357 0.02 2 17 102 3 ASP HB3 H 2.279 0.02 2 18 102 3 ASP C C 176.64 0.3 1 19 102 3 ASP CA C 54.41 0.3 1 20 102 3 ASP CB C 40.64 0.3 1 21 102 3 ASP N N 120.5 0.4 1 22 103 4 GLY H H 8.308 0.02 1 23 103 4 GLY HA2 H 3.738 0.02 2 24 103 4 GLY HA3 H 3.894 0.02 2 25 103 4 GLY C C 173.91 0.3 1 26 103 4 GLY CA C 45.13 0.3 1 27 103 4 GLY N N 110.3 0.4 1 28 104 5 ASP H H 7.893 0.02 1 29 104 5 ASP HA H 4.236 0.02 1 30 104 5 ASP HB2 H 2.377 0.02 2 31 104 5 ASP HB3 H 2.269 0.02 2 32 104 5 ASP C C 176.04 0.3 1 33 104 5 ASP CA C 54.14 0.3 1 34 104 5 ASP CB C 40.57 0.3 1 35 104 5 ASP N N 120.3 0.4 1 36 105 6 LEU H H 7.964 0.02 1 37 105 6 LEU HA H 3.970 0.02 1 38 105 6 LEU HB2 H 1.299 0.02 2 39 105 6 LEU HB3 H 1.245 0.02 2 40 105 6 LEU HG H 1.561 0.02 1 41 105 6 LEU HD1 H 0.5567 0.02 2 42 105 6 LEU HD2 H 0.5182 0.02 2 43 105 6 LEU C C 176.95 0.3 1 44 105 6 LEU CA C 54.96 0.3 1 45 105 6 LEU CB C 41.87 0.3 1 46 105 6 LEU CG C 26.46 0.3 1 47 105 6 LEU CD1 C 24.30 0.3 2 48 105 6 LEU CD2 C 22.93 0.3 2 49 105 6 LEU N N 121.7 0.4 1 50 106 7 ASP H H 8.110 0.02 1 51 106 7 ASP HA H 4.252 0.02 1 52 106 7 ASP HB2 H 2.321 0.02 2 53 106 7 ASP HB3 H 2.333 0.02 2 54 106 7 ASP C C 176.05 0.3 1 55 106 7 ASP CA C 54.02 0.3 1 56 106 7 ASP CB C 40.63 0.3 1 57 106 7 ASP N N 121.5 0.4 1 58 107 8 VAL H H 7.779 0.02 1 59 107 8 VAL HA H 3.720 0.02 1 60 107 8 VAL HB H 1.746 0.02 1 61 107 8 VAL HG1 H 0.5852 0.02 2 62 107 8 VAL HG2 H 0.597 0.02 2 63 107 8 VAL C C 176.10 0.3 1 64 107 8 VAL CA C 62.24 0.3 1 65 107 8 VAL CB C 32.28 0.3 1 66 107 8 VAL CG1 C 20.32 0.3 2 67 107 8 VAL CG2 C 19.94 0.3 2 68 107 8 VAL N N 120.3 0.4 1 69 108 9 GLU H H 8.219 0.02 1 70 108 9 GLU HA H 3.907 0.02 1 71 108 9 GLU HB2 H 1.667 0.02 2 72 108 9 GLU HB3 H 1.617 0.02 2 73 108 9 GLU HG2 H 1.926 0.02 2 74 108 9 GLU HG3 H 1.951 0.02 2 75 108 9 GLU C C 176.37 0.3 1 76 108 9 GLU CA C 56.24 0.3 1 77 108 9 GLU CB C 29.55 0.3 1 78 108 9 GLU CG C 32.80 0.3 1 79 108 9 GLU N N 124.1 0.4 1 80 109 10 LEU H H 8.015 0.02 1 81 109 10 LEU HA H 3.933 0.02 1 82 109 10 LEU HB2 H 1.314 0.02 2 83 109 10 LEU HB3 H 1.235 0.02 2 84 109 10 LEU HG H 1.685 0.02 1 85 109 10 LEU HD1 H 0.5872 0.02 2 86 109 10 LEU HD2 H 0.5168 0.02 2 87 109 10 LEU C C 177.39 0.3 1 88 109 10 LEU CA C 55.01 0.3 1 89 109 10 LEU CB C 41.96 0.3 1 90 109 10 LEU CG C 26.46 0.3 1 91 109 10 LEU CD1 C 24.31 0.3 2 92 109 10 LEU CD2 C 22.87 0.3 2 93 109 10 LEU N N 123.2 0.4 1 94 110 11 GLU H H 8.160 0.02 1 95 110 11 GLU HA H 3.950 0.02 1 96 110 11 GLU HB2 H 1.692 0.02 2 97 110 11 GLU HB3 H 1.651 0.02 2 98 110 11 GLU HG2 H 1.936 0.02 2 99 110 11 GLU HG3 H 1.948 0.02 2 100 110 11 GLU C C 176.43 0.3 1 101 110 11 GLU CA C 56.30 0.3 1 102 110 11 GLU CB C 29.90 0.3 1 103 110 11 GLU CG C 35.61 0.3 1 104 110 11 GLU N N 121.5 0.4 1 105 111 12 THR H H 7.977 0.02 1 106 111 12 THR HA H 3.918 0.02 1 107 111 12 THR HB H 3.816 0.02 1 108 111 12 THR HG2 H 0.858 0.02 1 109 111 12 THR C C 174.18 0.3 1 110 111 12 THR CA C 61.97 0.3 1 111 111 12 THR CB C 69.47 0.3 1 112 111 12 THR CG2 C 21.35 0.3 1 113 111 12 THR N N 116.3 0.4 1 114 112 13 ARG H H 8.198 0.02 1 115 112 13 ARG HA H 3.973 0.02 1 116 112 13 ARG HB2 H 1.473 0.02 2 117 112 13 ARG HB3 H 1.467 0.02 2 118 112 13 ARG HG2 H 1.276 0.02 2 119 112 13 ARG HG3 H 1.262 0.02 2 120 112 13 ARG HD2 H 2.804 0.02 2 121 112 13 ARG HD3 H 2.824 0.02 2 122 112 13 ARG C C 176.11 0.3 1 123 112 13 ARG CA C 55.97 0.3 1 124 112 13 ARG CB C 30.47 0.3 1 125 112 13 ARG CG C 26.56 0.3 1 126 112 13 ARG N N 124.4 0.4 1 127 113 14 ARG H H 8.373 0.02 1 128 113 14 ARG HA H 3.952 0.02 1 129 113 14 ARG HB2 H 1.477 0.02 2 130 113 14 ARG HB3 H 1.528 0.02 2 131 113 14 ARG HG2 H 1.286 0.02 2 132 113 14 ARG HG3 H 1.313 0.02 2 133 113 14 ARG HD2 H 2.834 0.02 2 134 113 14 ARG HD3 H 2.842 0.02 2 135 113 14 ARG C C 176.24 0.3 1 136 113 14 ARG CA C 56.04 0.3 1 137 113 14 ARG CB C 30.57 0.3 1 138 113 14 ARG CG C 26.42 0.3 1 139 113 14 ARG CD C 42.39 0.3 1 140 113 14 ARG N N 123.6 0.4 1 141 114 15 GLU H H 8.479 0.02 1 142 114 15 GLU HA H 3.861 0.02 1 143 114 15 GLU HB2 H 1.681 0.02 2 144 114 15 GLU HB3 H 1.657 0.02 2 145 114 15 GLU HG2 H 1.958 0.02 2 146 114 15 GLU HG3 H 1.931 0.02 2 147 114 15 GLU C C 176.24 0.3 1 148 114 15 GLU CA C 57.04 0.3 1 149 114 15 GLU CB C 32.93 0.3 1 150 114 15 GLU CG C 35.66 0.3 1 151 114 15 GLU N N 121.8 0.4 1 152 115 16 ASP H H 8.096 0.02 1 153 115 16 ASP HA H 4.209 0.02 1 154 115 16 ASP HB2 H 2.334 0.02 2 155 115 16 ASP HB3 H 2.323 0.02 2 156 115 16 ASP C C 175.99 0.3 1 157 115 16 ASP CA C 54.02 0.3 1 158 115 16 ASP CB C 40.38 0.3 1 159 115 16 ASP N N 119.7 0.4 1 160 116 17 GLU H H 7.926 0.02 1 161 116 17 GLU HA H 3.920 0.02 1 162 116 17 GLU HB2 H 1.618 0.02 2 163 116 17 GLU HB3 H 1.684 0.02 2 164 116 17 GLU HG2 H 1.899 0.02 2 165 116 17 GLU HG3 H 1.942 0.02 2 166 116 17 GLU C C 176.39 0.3 1 167 116 17 GLU CA C 56.15 0.3 1 168 116 17 GLU CB C 29.93 0.3 1 169 116 17 GLU CG C 35.70 0.3 1 170 116 17 GLU N N 120.7 0.4 1 171 117 18 ILE H H 7.923 0.02 1 172 117 18 ILE HA H 3.765 0.02 1 173 117 18 ILE HB H 1.550 0.02 1 174 117 18 ILE HG12 H 0.5674 0.02 2 175 117 18 ILE HG13 H 1.137 0.02 2 176 117 18 ILE HG2 H 0.706 0.02 1 177 117 18 ILE HD1 H 0.550 0.02 1 178 117 18 ILE C C 176.71 0.3 1 179 117 18 ILE CA C 61.41 0.3 1 180 117 18 ILE CB C 38.21 0.3 1 181 117 18 ILE CG1 C 27.04 0.3 1 182 117 18 ILE CG2 C 17.12 0.3 1 183 117 18 ILE CD1 C 12.59 0.3 1 184 117 18 ILE N N 121.4 0.4 1 185 118 19 GLY H H 8.172 0.02 1 186 118 19 GLY HA2 H 3.592 0.02 2 187 118 19 GLY HA3 H 3.581 0.02 2 188 118 19 GLY C C 173.75 0.3 1 189 118 19 GLY CA C 44.97 0.3 1 190 118 19 GLY N N 111.8 0.4 1 191 119 20 ASP H H 8.010 0.02 1 192 119 20 ASP HA H 4.228 0.02 1 193 119 20 ASP HB2 H 2.327 0.02 2 194 119 20 ASP HB3 H 2.276 0.02 2 195 119 20 ASP C C 176.52 0.3 1 196 119 20 ASP CA C 54.05 0.3 1 197 119 20 ASP CB C 40.58 0.3 1 198 119 20 ASP N N 120.5 0.4 1 199 120 21 LEU H H 7.956 0.02 1 200 120 21 LEU HA H 3.816 0.02 1 201 120 21 LEU HB2 H 1.140 0.02 2 202 120 21 LEU HB3 H 1.014 0.02 2 203 120 21 LEU HG H 1.127 0.02 1 204 120 21 LEU HD1 H 0.5927 0.02 2 205 120 21 LEU HD2 H 0.7137 0.02 2 206 120 21 LEU C C 177.31 0.3 1 207 120 21 LEU CA C 55.56 0.3 1 208 120 21 LEU CB C 41.68 0.3 1 209 120 21 LEU CG C 26.55 0.3 1 210 120 21 LEU CD1 C 23.23 0.3 2 211 120 21 LEU CD2 C 22.88 0.3 2 212 120 21 LEU N N 122.5 0.4 1 213 121 22 TYR H H 7.887 0.02 1 214 121 22 TYR HA H 4.120 0.02 1 215 121 22 TYR HB2 H 2.572 0.02 2 216 121 22 TYR HB3 H 2.722 0.02 2 217 121 22 TYR C C 175.61 0.3 1 218 121 22 TYR CA C 57.74 0.3 1 219 121 22 TYR CB C 38.17 0.3 1 220 121 22 TYR N N 119.4 0.4 1 221 122 23 ALA H H 7.694 0.02 1 222 122 23 ALA HA H 3.863 0.02 1 223 122 23 ALA HB H 0.9988 0.02 1 224 122 23 ALA C C 177.27 0.3 1 225 122 23 ALA CA C 52.50 0.3 1 226 122 23 ALA CB C 18.80 0.3 1 227 122 23 ALA N N 124.8 0.4 1 228 123 24 ALA H H 7.886 0.02 1 229 123 24 ALA HA H 3.860 0.02 1 230 123 24 ALA HB H 0.9792 0.02 1 231 123 24 ALA C C 177.70 0.3 1 232 123 24 ALA CA C 52.45 0.3 1 233 123 24 ALA CB C 18.64 0.3 1 234 123 24 ALA N N 122.3 0.4 1 235 124 25 PHE H H 7.9904 0.02 1 236 124 25 PHE HA H 4.159 0.02 1 237 124 25 PHE HB2 H 2.771 0.02 2 238 124 25 PHE HB3 H 2.759 0.02 2 239 124 25 PHE C C 175.58 0.3 1 240 124 25 PHE CA C 57.83 0.3 1 241 124 25 PHE CB C 38.84 0.3 1 242 124 25 PHE N N 119.4 0.4 1 243 125 26 ASP H H 7.952 0.02 1 244 125 26 ASP HA H 4.147 0.02 1 245 125 26 ASP HB2 H 2.771 0.02 2 246 125 26 ASP HB3 H 2.759 0.02 2 247 125 26 ASP C C 176.39 0.3 1 248 125 26 ASP CA C 54.33 0.3 1 249 125 26 ASP CB C 41.24 0.3 1 250 125 26 ASP N N 122.1 0.4 1 251 126 27 GLU H H 8.167 0.02 1 252 126 27 GLU HA H 3.742 0.02 1 253 126 27 GLU HB2 H 1.695 0.02 2 254 126 27 GLU HB3 H 1.832 0.02 2 255 126 27 GLU HG2 H 2.275 0.02 2 256 126 27 GLU HG3 H 2.248 0.02 2 257 126 27 GLU C C 177.13 0.3 1 258 126 27 GLU CA C 57.55 0.3 1 259 126 27 GLU CB C 29.49 0.3 1 260 126 27 GLU CG C 35.49 0.3 1 261 126 27 GLU N N 121.7 0.4 1 262 127 28 MET H H 7.994 0.02 1 263 127 28 MET HA H 4.047 0.02 1 264 127 28 MET HB2 H 1.742 0.02 2 265 127 28 MET HB3 H 1.761 0.02 2 266 127 28 MET HG2 H 2.283 0.02 2 267 127 28 MET HG3 H 2.163 0.02 2 268 127 28 MET C C 176.88 0.3 1 269 127 28 MET CA C 55.71 0.3 1 270 127 28 MET CB C 31.46 0.3 1 271 127 28 MET CG C 31.26 0.3 1 272 127 28 MET CE C 26.85 0.3 1 273 127 28 MET N N 119.2 0.4 1 274 128 29 ARG H H 7.783 0.02 1 275 128 29 ARG HA H 3.842 0.02 1 276 128 29 ARG HB2 H 1.482 0.02 2 277 128 29 ARG HB3 H 1.475 0.02 2 278 128 29 ARG HG2 H 1.239 0.02 2 279 128 29 ARG HG3 H 1.261 0.02 2 280 128 29 ARG HD2 H 2.794 0.02 2 281 128 29 ARG HD3 H 2.816 0.02 2 282 128 29 ARG C C 176.74 0.3 1 283 128 29 ARG CA C 56.62 0.3 1 284 128 29 ARG CB C 30.06 0.3 1 285 128 29 ARG CG C 26.88 0.3 1 286 128 29 ARG CD C 42.73 0.3 1 287 128 29 ARG N N 120.8 0.4 1 288 129 30 GLN H H 8.084 0.02 1 289 129 30 GLN HA H 3.912 0.02 1 290 129 30 GLN HB2 H 1.747 0.02 2 291 129 30 GLN HB3 H 1.695 0.02 2 292 129 30 GLN HG2 H 2.098 0.02 2 293 129 30 GLN HG3 H 1.969 0.02 2 294 129 30 GLN C C 176.20 0.3 1 295 129 30 GLN CA C 56.08 0.3 1 296 129 30 GLN CB C 28.89 0.3 1 297 129 30 GLN CG C 35.77 0.3 1 298 129 30 GLN N N 120.3 0.4 1 299 130 31 SER H H 8.094 0.02 1 300 130 31 SER HA H 4.053 0.02 1 301 130 31 SER HB2 H 3.558 0.02 2 302 130 31 SER HB3 H 3.572 0.02 2 303 130 31 SER C C 174.78 0.3 1 304 130 31 SER CA C 58.73 0.3 1 305 130 31 SER CB C 63.13 0.3 1 306 130 31 SER N N 116.7 0.4 1 307 131 32 VAL H H 7.839 0.02 1 308 131 32 VAL HA H 3.708 0.02 1 309 131 32 VAL HB H 1.763 0.02 1 310 131 32 VAL HG1 H 0.6218 0.02 2 311 131 32 VAL HG2 H 0.6030 0.02 2 312 131 32 VAL C C 176.37 0.3 1 313 131 32 VAL CA C 62.64 0.3 1 314 131 32 VAL CB C 32.13 0.3 1 315 131 32 VAL CG1 C 20.87 0.3 2 316 131 32 VAL CG2 C 20.72 0.3 2 317 131 32 VAL N N 122.1 0.4 1 318 132 33 ARG H H 8.096 0.02 1 319 132 33 ARG HA H 3.981 0.02 1 320 132 33 ARG HB2 H 1.424 0.02 2 321 132 33 ARG HB3 H 1.454 0.02 2 322 132 33 ARG C C 176.95 0.3 1 323 132 33 ARG CA C 56.56 0.3 1 324 132 33 ARG CB C 30.43 0.3 1 325 132 33 ARG N N 124.0 0.4 1 326 133 34 THR H H 8.149 0.02 1 327 133 34 THR HA H 3.960 0.02 1 328 133 34 THR HB H 3.952 0.02 1 329 133 34 THR HG2 H 0.904 0.02 1 330 133 34 THR C C 174.69 0.3 1 331 133 34 THR CA C 62.42 0.3 1 332 133 34 THR CB C 69.23 0.3 1 333 133 34 THR CG2 C 21.41 0.3 1 334 133 34 THR N N 115.8 0.4 1 335 134 35 SER H H 8.229 0.02 1 336 134 35 SER HA H 4.096 0.02 1 337 134 35 SER HB2 H 3.672 0.02 2 338 134 35 SER HB3 H 3.610 0.02 2 339 134 35 SER C C 175.59 0.3 1 340 134 35 SER CA C 59.12 0.3 1 341 134 35 SER CB C 63.04 0.3 1 342 134 35 SER N N 118.3 0.4 1 343 135 36 LEU H H 8.093 0.02 1 344 135 36 LEU HA H 3.916 0.02 1 345 135 36 LEU HB2 H 1.224 0.02 2 346 135 36 LEU HB3 H 1.254 0.02 2 347 135 36 LEU HG H 1.739 0.02 1 348 135 36 LEU HD1 H 0.575 0.02 2 349 135 36 LEU HD2 H 0.602 0.02 2 350 135 36 LEU C C 177.80 0.3 1 351 135 36 LEU CA C 56.50 0.3 1 352 135 36 LEU CB C 41.64 0.3 1 353 135 36 LEU CG C 24.76 0.3 1 354 135 36 LEU N N 123.8 0.4 1 355 136 37 GLU H H 7.983 0.02 1 356 136 37 GLU HA H 3.809 0.02 1 357 136 37 GLU HB2 H 1.685 0.02 2 358 136 37 GLU HB3 H 1.700 0.02 2 359 136 37 GLU HG2 H 1.943 0.02 2 360 136 37 GLU HG3 H 1.969 0.02 2 361 136 37 GLU C C 176.81 0.3 1 362 136 37 GLU CA C 57.70 0.3 1 363 136 37 GLU CB C 29.33 0.3 1 364 136 37 GLU CG C 34.93 0.3 1 365 136 37 GLU N N 120.9 0.4 1 366 137 38 ASP H H 8.056 0.02 1 367 137 38 ASP HA H 4.146 0.02 1 368 137 38 ASP HB2 H 2.370 0.02 2 369 137 38 ASP HB3 H 2.357 0.02 2 370 137 38 ASP C C 177.60 0.3 1 371 137 38 ASP CA C 55.59 0.3 1 372 137 38 ASP CB C 40.17 0.3 1 373 137 38 ASP N N 120.5 0.4 1 374 138 39 ALA H H 7.858 0.02 1 375 138 39 ALA HA H 3.892 0.02 1 376 138 39 ALA HB H 1.125 0.02 1 377 138 39 ALA C C 179.07 0.3 1 378 138 39 ALA CA C 53.67 0.3 1 379 138 39 ALA CB C 18.16 0.3 1 380 138 39 ALA N N 123.6 0.4 1 381 139 40 LYS H H 7.837 0.02 1 382 139 40 LYS HA H 3.754 0.02 1 383 139 40 LYS HB2 H 1.549 0.02 2 384 139 40 LYS HB3 H 1.536 0.02 2 385 139 40 LYS HG2 H 1.099 0.02 2 386 139 40 LYS HG3 H 1.085 0.02 2 387 139 40 LYS HD2 H 1.319 0.02 2 388 139 40 LYS HD3 H 1.330 0.02 2 389 139 40 LYS HE2 H 2.625 0.02 2 390 139 40 LYS C C 177.46 0.3 1 391 139 40 LYS CA C 57.99 0.3 1 392 139 40 LYS CB C 32.00 0.3 1 393 139 40 LYS CG C 24.38 0.3 1 394 139 40 LYS CD C 28.98 0.3 1 395 139 40 LYS CE C 41.72 0.3 1 396 139 40 LYS N N 120.5 0.4 1 397 140 41 ASN H H 8.078 0.02 1 398 140 41 ASN HA H 4.242 0.02 1 399 140 41 ASN HB2 H 2.568 0.02 2 400 140 41 ASN HB3 H 2.466 0.02 2 401 140 41 ASN C C 175.90 0.3 1 402 140 41 ASN CA C 54.21 0.3 1 403 140 41 ASN CB C 37.81 0.3 1 404 140 41 ASN N N 118.5 0.4 1 405 141 42 ALA H H 7.883 0.02 1 406 141 42 ALA HA H 3.897 0.02 1 407 141 42 ALA HB H 1.124 0.02 1 408 141 42 ALA C C 179.34 0.3 1 409 141 42 ALA CA C 53.91 0.3 1 410 141 42 ALA CB C 17.93 0.3 1 411 141 42 ALA N N 122.8 0.4 1 412 142 43 ARG H H 7.873 0.02 1 413 142 43 ARG HA H 3.844 0.02 1 414 142 43 ARG HB2 H 1.576 0.02 2 415 142 43 ARG HB3 H 1.557 0.02 2 416 142 43 ARG HG2 H 1.116 0.02 2 417 142 43 ARG HG3 H 1.144 0.02 2 418 142 43 ARG HD2 H 2.877 0.02 2 419 142 43 ARG HD3 H 2.915 0.02 2 420 142 43 ARG C C 177.65 0.3 1 421 142 43 ARG CA C 57.68 0.3 1 422 142 43 ARG CB C 31.00 0.3 1 423 142 43 ARG N N 120.0 0.4 1 424 143 44 GLU H H 8.081 0.02 1 425 143 44 GLU HA H 3.823 0.02 1 426 143 44 GLU HB2 H 1.582 0.02 2 427 143 44 GLU HB3 H 1.736 0.02 2 428 143 44 GLU HG2 H 2.075 0.02 2 429 143 44 GLU HG3 H 1.946 0.02 2 430 143 44 GLU C C 177.82 0.3 1 431 143 44 GLU CA C 57.95 0.3 1 432 143 44 GLU CB C 29.04 0.3 1 433 143 44 GLU N N 121.0 0.4 1 434 144 45 ASP H H 8.172 0.02 1 435 144 45 ASP HA H 4.140 0.02 1 436 144 45 ASP HB2 H 2.417 0.02 2 437 144 45 ASP HB3 H 2.362 0.02 2 438 144 45 ASP C C 177.72 0.3 1 439 144 45 ASP CA C 55.49 0.3 1 440 144 45 ASP CB C 40.14 0.3 1 441 144 45 ASP N N 120.6 0.4 1 442 145 46 ALA H H 7.845 0.02 1 443 145 46 ALA HA H 3.896 0.02 1 444 145 46 ALA HB H 1.168 0.02 1 445 145 46 ALA C C 179.86 0.3 1 446 145 46 ALA CA C 54.42 0.3 1 447 145 46 ALA CB C 18.05 0.3 1 448 145 46 ALA N N 123.6 0.4 1 449 146 47 GLU H H 8.074 0.02 1 450 146 47 GLU HA H 3.776 0.02 1 451 146 47 GLU HG2 H 1.798 0.02 2 452 146 47 GLU HG3 H 1.825 0.02 2 453 146 47 GLU C C 178.72 0.3 1 454 146 47 GLU CA C 58.18 0.3 1 455 146 47 GLU CB C 29.25 0.3 1 456 146 47 GLU CG C 34.90 0.3 1 457 146 47 GLU N N 119.7 0.4 1 458 147 48 GLN H H 8.013 0.02 1 459 147 48 GLN HA H 3.800 0.02 1 460 147 48 GLN HB2 H 1.809 0.02 2 461 147 48 GLN HB3 H 1.806 0.02 2 462 147 48 GLN HG2 H 2.082 0.02 2 463 147 48 GLN HG3 H 2.160 0.02 2 464 147 48 GLN C C 177.67 0.3 1 465 147 48 GLN CA C 57.51 0.3 1 466 147 48 GLN CB C 27.93 0.3 1 467 147 48 GLN CG C 33.13 0.3 1 468 147 48 GLN N N 119.5 0.4 1 469 148 49 ALA H H 7.917 0.02 1 470 148 49 ALA HA H 3.809 0.02 1 471 148 49 ALA HB H 1.137 0.02 1 472 148 49 ALA C C 179.21 0.3 1 473 148 49 ALA CA C 54.11 0.3 1 474 148 49 ALA CB C 17.77 0.3 1 475 148 49 ALA N N 122.7 0.4 1 476 149 50 GLN H H 7.885 0.02 1 477 149 50 GLN HA H 3.829 0.02 1 478 149 50 GLN HG2 H 1.7776 0.02 2 479 149 50 GLN HG3 H 1.744 0.02 2 480 149 50 GLN C C 177.70 0.3 1 481 149 50 GLN CA C 57.54 0.3 1 482 149 50 GLN CB C 29.33 0.3 1 483 149 50 GLN CG C 35.02 0.3 1 484 149 50 GLN N N 118.5 0.4 1 485 150 51 LYS H H 7.825 0.02 1 486 150 51 LYS HA H 3.836 0.02 1 487 150 51 LYS HB2 H 1.782 0.02 2 488 150 51 LYS HB3 H 1.745 0.02 2 489 150 51 LYS HG2 H 1.534 0.02 2 490 150 51 LYS HG3 H 1.557 0.02 2 491 150 51 LYS HD2 H 1.916 0.02 2 492 150 51 LYS HD3 H 1.943 0.02 2 493 150 51 LYS C C 178.24 0.3 1 494 150 51 LYS CA C 57.73 0.3 1 495 150 51 LYS CB C 32.77 0.3 1 496 150 51 LYS CG C 23.64 0.3 1 497 150 51 LYS N N 120.9 0.4 1 498 151 52 ARG H H 7.898 0.02 1 499 151 52 ARG HA H 3.870 0.02 1 500 151 52 ARG HB2 H 1.557 0.02 2 501 151 52 ARG HB3 H 1.567 0.02 2 502 151 52 ARG HG2 H 1.523 0.02 2 503 151 52 ARG HG3 H 1.382 0.02 2 504 151 52 ARG HD2 H 2.883 0.02 2 505 151 52 ARG HD3 H 2.910 0.02 2 506 151 52 ARG C C 177.52 0.3 1 507 151 52 ARG CA C 57.53 0.3 1 508 151 52 ARG CB C 30.01 0.3 1 509 151 52 ARG CG C 30.02 0.3 1 510 151 52 ARG N N 119.9 0.4 1 511 152 53 ALA H H 7.749 0.02 1 512 152 53 ALA HA H 3.827 0.02 1 513 152 53 ALA HB H 1.134 0.02 1 514 152 53 ALA CA C 54.10 0.3 1 515 152 53 ALA CB C 17.73 0.3 1 516 152 53 ALA N N 122.3 0.4 1 517 153 54 GLU H H 7.799 0.02 1 518 153 54 GLU C C 177.26 0.3 1 519 153 54 GLU CA C 57.33 0.3 1 520 153 54 GLU CB C 28.00 0.3 1 521 153 54 GLU CG C 32.41 0.3 1 522 153 54 GLU N N 119.3 0.4 1 523 154 55 GLU H H 7.724 0.02 1 524 154 55 GLU HA H 3.822 0.02 1 525 154 55 GLU HB2 H 1.536 0.02 2 526 154 55 GLU HB3 H 1.534 0.02 2 527 154 55 GLU HG2 H 1.794 0.02 2 528 154 55 GLU HG3 H 1.820 0.02 2 529 154 55 GLU CA C 57.96 0.3 1 530 154 55 GLU N N 120.9 0.4 1 531 155 56 ILE CA C 62.87 0.3 1 532 156 57 ASN H H 8.029 0.02 1 533 156 57 ASN HA H 4.028 0.02 1 534 156 57 ASN HB2 H 2.510 0.02 2 535 156 57 ASN HB3 H 2.546 0.02 2 536 156 57 ASN HD21 H 7.802 0.02 2 537 156 57 ASN HD22 H 7.810 0.02 2 538 156 57 ASN C C 176.43 0.3 1 539 156 57 ASN CA C 54.13 0.3 1 540 156 57 ASN CB C 38.17 0.3 1 541 156 57 ASN N N 121.0 0.4 1 542 157 58 THR H H 8.120 0.02 1 543 157 58 THR HA H 3.730 0.02 1 544 157 58 THR HB H 3.964 0.02 1 545 157 58 THR HG2 H 0.884 0.02 1 546 157 58 THR C C 175.36 0.3 1 547 157 58 THR CA C 64.14 0.3 1 548 157 58 THR CB C 68.66 0.3 1 549 157 58 THR CG2 C 21.35 0.3 1 550 157 58 THR N N 116.1 0.4 1 551 158 59 GLU H H 7.915 0.02 1 552 158 59 GLU HA H 3.818 0.02 1 553 158 59 GLU HB2 H 1.725 0.02 2 554 158 59 GLU HB3 H 1.746 0.02 2 555 158 59 GLU HG2 H 2.024 0.02 2 556 158 59 GLU HG3 H 2.017 0.02 2 557 158 59 GLU C C 177.37 0.3 1 558 158 59 GLU CA C 57.83 0.3 1 559 158 59 GLU CB C 29.09 0.3 1 560 158 59 GLU N N 122.3 0.4 1 561 159 60 LEU H H 7.704 0.02 1 562 159 60 LEU HA H 3.850 0.02 1 563 159 60 LEU HB2 H 1.385 0.02 2 564 159 60 LEU HB3 H 1.286 0.02 2 565 159 60 LEU HG H 1.734 0.02 1 566 159 60 LEU HD1 H 0.556 0.02 2 567 159 60 LEU HD2 H 0.525 0.02 2 568 159 60 LEU C C 178.23 0.3 1 569 159 60 LEU CA C 55.94 0.3 1 570 159 60 LEU CB C 41.44 0.3 1 571 159 60 LEU CG C 26.51 0.3 1 572 159 60 LEU CD1 C 26.68 0.3 2 573 159 60 LEU N N 120.5 0.4 1 574 160 61 LEU H H 7.634 0.02 1 575 160 61 LEU HA H 3.861 0.02 1 576 160 61 LEU HB2 H 1.378 0.02 2 577 160 61 LEU HB3 H 1.370 0.02 2 578 160 61 LEU HG H 1.206 0.02 1 579 160 61 LEU HD1 H 0.520 0.02 2 580 160 61 LEU HD2 H 0.509 0.02 2 581 160 61 LEU C C 177.85 0.3 1 582 160 61 LEU CA C 55.55 0.3 1 583 160 61 LEU CB C 41.76 0.3 1 584 160 61 LEU CD1 C 24.19 0.3 2 585 160 61 LEU N N 120.4 0.4 1 586 161 62 GLU H H 7.810 0.02 1 587 161 62 GLU HA H 3.794 0.02 1 588 161 62 GLU HB2 H 1.823 0.02 2 589 161 62 GLU HB3 H 1.822 0.02 2 590 161 62 GLU HG3 H 2.099 0.02 2 591 161 62 GLU C C 176.41 0.3 1 592 161 62 GLU CA C 56.50 0.3 1 593 161 62 GLU CB C 29.63 0.3 1 594 161 62 GLU CG C 35.63 0.3 1 595 161 62 GLU N N 119.3 0.4 1 596 162 63 HIS H H 7.955 0.02 1 597 162 63 HIS HA H 4.219 0.02 1 598 162 63 HIS HB2 H 2.801 0.02 2 599 162 63 HIS HB3 H 2.777 0.02 2 600 162 63 HIS C C 174.28 0.3 1 601 162 63 HIS CA C 55.34 0.3 1 602 162 63 HIS CB C 28.36 0.3 1 603 162 63 HIS N N 117.9 0.4 1 604 163 64 HIS H H 8.110 0.02 1 605 163 64 HIS HA H 4.248 0.02 1 606 163 64 HIS HB2 H 2.772 0.02 2 607 163 64 HIS HB3 H 2.753 0.02 2 608 163 64 HIS C C 174.10 0.3 1 609 163 64 HIS CA C 55.21 0.3 1 610 163 64 HIS CB C 28.67 0.3 1 611 163 64 HIS N N 118.5 0.4 1 612 164 65 HIS H H 8.297 0.02 1 613 164 65 HIS HA H 4.278 0.02 1 614 164 65 HIS HB2 H 2.780 0.02 2 615 164 65 HIS HB3 H 2.740 0.02 2 616 164 65 HIS C C 174.12 0.3 1 617 164 65 HIS CA C 55.11 0.3 1 618 164 65 HIS CB C 28.79 0.3 1 619 164 65 HIS N N 119.3 0.4 1 620 165 66 HIS H H 8.393 0.02 1 621 165 66 HIS HA H 4.289 0.02 1 622 165 66 HIS HB2 H 2.827 0.02 2 623 165 66 HIS HB3 H 2.765 0.02 2 624 165 66 HIS C C 173.92 0.3 1 625 165 66 HIS CA C 55.07 0.3 1 626 165 66 HIS CB C 28.95 0.3 1 627 165 66 HIS N N 120.0 0.4 1 628 166 67 HIS H H 8.373 0.02 1 629 166 67 HIS HA H 4.281 0.02 1 630 166 67 HIS HB2 H 2.803 0.02 2 631 166 67 HIS HB3 H 2.841 0.02 2 632 166 67 HIS C C 173.40 0.3 1 633 166 67 HIS CA C 55.26 0.3 1 634 166 67 HIS CB C 29.00 0.3 1 635 166 67 HIS N N 120.5 0.4 1 636 167 68 HIS H H 8.122 0.02 1 637 167 68 HIS HA H 4.105 0.02 1 638 167 68 HIS HB2 H 2.883 0.02 2 639 167 68 HIS HB3 H 2.799 0.02 2 640 167 68 HIS CA C 56.67 0.3 1 641 167 68 HIS CB C 29.46 0.3 1 642 167 68 HIS N N 125.3 0.4 1 stop_ save_