data_6439 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N and 13C and side-chain 1H and 13C assignments of the rice phytochrome B PAS1 domain ; _BMRB_accession_number 6439 _BMRB_flat_file_name bmr6439.str _Entry_type original _Submission_date 2004-12-21 _Accession_date 2004-12-21 _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 Kobayashi Toshitatsu . . 2 Mishima Masaki . . 3 Akagi Kayo . . 4 Sakai Nobuya . . 5 Katoh Etsuko . . 6 Takano Makoto . . 7 Yamazaki Toshimasa . . 8 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" 604 "13C chemical shifts" 459 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6440 'PAS1-PAS2 domain' stop_ _Original_release_date 2005-04-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C backbone and side-chain assignments of the rice phytochrome B PAS1 domain and backbone assignments of the PAS1-PAS2 domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kobayashi Toshitatsu . . 2 Mishima Masaki . . 3 Akagi Kayo . . 4 Sakai Nobuya . . 5 Katoh Etsuko . . 6 Takano Makoto . . 7 Yamazaki Toshimasa . . 8 Kojima Chojiro . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 269 _Page_last 270 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PAS1 monomer' _Abbreviation_common 'PAS1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rice phytochrome B PAS1 domain' $PAS1_domain stop_ _System_molecular_weight 12691 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PAS1_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Rice phytochrome B PAS1 domain' _Abbreviation_common 'Rice phytochrome B PAS1 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; VRLIETATVPIFAVDTDGCI NGWNAKVAELTGLSVEEAMG KSLVNDLIFKESEETVNKLL SRALRGDEDKNVEIKLKTFG PEQSKGPIFVIVNACSSRDY TKNIVGVCFVGQDVTGQ ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 ARG 3 LEU 4 ILE 5 GLU 6 THR 7 ALA 8 THR 9 VAL 10 PRO 11 ILE 12 PHE 13 ALA 14 VAL 15 ASP 16 THR 17 ASP 18 GLY 19 CYS 20 ILE 21 ASN 22 GLY 23 TRP 24 ASN 25 ALA 26 LYS 27 VAL 28 ALA 29 GLU 30 LEU 31 THR 32 GLY 33 LEU 34 SER 35 VAL 36 GLU 37 GLU 38 ALA 39 MET 40 GLY 41 LYS 42 SER 43 LEU 44 VAL 45 ASN 46 ASP 47 LEU 48 ILE 49 PHE 50 LYS 51 GLU 52 SER 53 GLU 54 GLU 55 THR 56 VAL 57 ASN 58 LYS 59 LEU 60 LEU 61 SER 62 ARG 63 ALA 64 LEU 65 ARG 66 GLY 67 ASP 68 GLU 69 ASP 70 LYS 71 ASN 72 VAL 73 GLU 74 ILE 75 LYS 76 LEU 77 LYS 78 THR 79 PHE 80 GLY 81 PRO 82 GLU 83 GLN 84 SER 85 LYS 86 GLY 87 PRO 88 ILE 89 PHE 90 VAL 91 ILE 92 VAL 93 ASN 94 ALA 95 CYS 96 SER 97 SER 98 ARG 99 ASP 100 TYR 101 THR 102 LYS 103 ASN 104 ILE 105 VAL 106 GLY 107 VAL 108 CYS 109 PHE 110 VAL 111 GLY 112 GLN 113 ASP 114 VAL 115 THR 116 GLY 117 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 GB AFK31030 "phytochrome b, partial [Oryza rufipogon]" 100.00 1171 100.00 100.00 7.25e-73 GB AFK31032 "phytochrome b, partial [Oryza rufipogon]" 100.00 1171 100.00 100.00 7.25e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PAS1_domain Rice 4530 Eukaryota Plantae Oryza sativa 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 $PAS1_domain 'recombinant technology' 'E. coli' Escherichia coli BL21 . 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 $PAS1_domain 0.8 mM '[U-13C; U-15N]' 'potassium phosphate' 50 mM . 'potassium chloride' 20 mM . dithiothreitol 5 mM . 'deuterium oxide' 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task 'data aquisition' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Task assignments 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_3D-HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _Sample_label . save_ save_3D-HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HN(CO)CACB _Sample_label . save_ save_3D-HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _Sample_label . save_ save_3D-HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HN(CA)CO _Sample_label . save_ save_3D-C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-C(CO)NH _Sample_label . save_ save_3D-H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-H(CCO)NH _Sample_label . save_ save_4D-HC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name 4D-HC(CO)NH _Sample_label . save_ save_3D-HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _Sample_label . save_ save_15N-edited_TOCSY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY-HSQC' _Sample_label . save_ save_2D-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 4D-HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'General details describing conditions of the environment during measurements' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.01 M pH 6.8 0.05 pH temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 . external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm . external direct . . . 1.0 DSS N 15 'methyl protons' ppm . external 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Rice phytochrome B PAS1 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 VAL C C 176.232 0 1 2 . 1 VAL CA C 63.163 0 1 3 . 1 VAL CB C 32.448 0 1 4 . 1 VAL CG1 C 21.209 0 1 5 . 1 VAL CG2 C 21.211 0 1 6 . 1 VAL H H 8.031 0 1 7 . 1 VAL HA H 3.943 0 1 8 . 1 VAL HB H 1.997 0 1 9 . 1 VAL HG1 H 0.862 0 1 10 . 1 VAL HG2 H 0.863 0 1 11 . 1 VAL N N 121.091 0 1 12 . 2 ARG C C 176.466 0 1 13 . 2 ARG CA C 56.48 0 1 14 . 2 ARG CB C 30.549 0 1 15 . 2 ARG CD C 43.457 0 1 16 . 2 ARG CG C 27.108 0 1 17 . 2 ARG H H 8.224 0 1 18 . 2 ARG HA H 4.252 0 1 19 . 2 ARG HB2 H 1.749 0 1 20 . 2 ARG HB3 H 1.75 0 1 21 . 2 ARG HD2 H 3.136 0 1 22 . 2 ARG HD3 H 3.136 0 1 23 . 2 ARG HG2 H 1.569 0 1 24 . 2 ARG HG3 H 1.568 0 1 25 . 2 ARG N N 124.469 0 1 26 . 3 LEU C C 177.422 0 1 27 . 3 LEU CA C 55.719 0 1 28 . 3 LEU CB C 42.19 0 1 29 . 3 LEU CD1 C 24.978 0 2 30 . 3 LEU CD2 C 23.638 0 2 31 . 3 LEU CG C 26.497 0 1 32 . 3 LEU H H 8.112 0 1 33 . 3 LEU HA H 4.255 0 1 34 . 3 LEU HB2 H 1.575 0 1 35 . 3 LEU HB3 H 1.575 0 1 36 . 3 LEU HG H 1.568 0 1 37 . 3 LEU HD1 H 0.817 0 1 38 . 3 LEU HD2 H 0.818 0 1 39 . 3 LEU N N 123.833 0 1 40 . 4 ILE C C 176.731 0 1 41 . 4 ILE CA C 62.133 0 1 42 . 4 ILE CB C 38.467 0 1 43 . 4 ILE CD1 C 12.814 0 1 44 . 4 ILE CG1 C 27.604 0 1 45 . 4 ILE CG2 C 17.463 0 1 46 . 4 ILE H H 7.908 0 1 47 . 4 ILE HA H 4.005 0 1 48 . 4 ILE HB H 1.84 0 1 49 . 4 ILE HG12 H 1.107 0 2 50 . 4 ILE HG13 H 1.463 0 2 51 . 4 ILE HD1 H 0.845 0 1 52 . 4 ILE HG2 H 0.845 0 1 53 . 4 ILE N N 120.865 0 1 54 . 5 GLU C C 177.242 0 1 55 . 5 GLU CA C 57.793 0 1 56 . 5 GLU CB C 30.116 0 1 57 . 5 GLU CG C 36.284 0 1 58 . 5 GLU H H 8.405 0 1 59 . 5 GLU HA H 4.315 0 1 60 . 5 GLU HB2 H 2.03 0 1 61 . 5 GLU HB3 H 2.03 0 1 62 . 5 GLU HG2 H 2.284 0 1 63 . 5 GLU HG3 H 2.285 0 1 64 . 5 GLU N N 123.819 0 1 65 . 6 THR C C 174.165 0 1 66 . 6 THR CA C 61.722 0 1 67 . 6 THR CB C 69.369 0 1 68 . 6 THR CG2 C 21.665 0 1 69 . 6 THR H H 7.836 0 1 70 . 6 THR HA H 4.319 0 1 71 . 6 THR HB H 4.317 0 1 72 . 6 THR HG2 H 1.179 0 1 73 . 6 THR N N 112.871 0 1 74 . 7 ALA C C 177.813 0 1 75 . 7 ALA CA C 52.474 0 1 76 . 7 ALA CB C 20.219 0 1 77 . 7 ALA H H 8.016 0 1 78 . 7 ALA HA H 4.439 0 1 79 . 7 ALA HB H 1.462 0 1 80 . 7 ALA N N 126.149 0 1 81 . 8 THR C C 174.013 0 1 82 . 8 THR CA C 62.232 0 1 83 . 8 THR CB C 68.839 0 1 84 . 8 THR CG2 C 21.995 0 1 85 . 8 THR H H 8.376 0 1 86 . 8 THR HA H 4.236 0 1 87 . 8 THR HB H 4.377 0 1 88 . 8 THR HG2 H 1.19 0 1 89 . 8 THR N N 110.796 0 1 90 . 9 VAL C C 172.83 0 1 91 . 9 VAL CA C 57.37 0 1 92 . 9 VAL CB C 33.185 0 1 93 . 9 VAL H H 7.04 0 1 94 . 9 VAL HA H 4.66 0 1 95 . 9 VAL HB H 1.476 0 1 96 . 9 VAL HG1 H 0.747 0 1 97 . 9 VAL HG2 H 0.745 0 1 98 . 9 VAL N N 113.496 0 1 99 . 10 PRO C C 174.796 0 1 100 . 10 PRO CA C 62.826 0 1 101 . 10 PRO CB C 32.51 0 1 102 . 10 PRO CG C 27.812 0 1 103 . 10 PRO HA H 4.347 0 1 104 . 10 PRO HB2 H 1.582 0 1 105 . 10 PRO HB3 H 1.581 0 1 106 . 10 PRO HG2 H 1.858 0 2 107 . 10 PRO HG3 H 2.091 0 2 108 . 11 ILE C C 173.742 0 1 109 . 11 ILE CA C 61.279 0 1 110 . 11 ILE CB C 41.82 0 1 111 . 11 ILE CG1 C 28.508 0 1 112 . 11 ILE CG2 C 17.531 0 1 113 . 11 ILE H H 7.601 0 1 114 . 11 ILE HA H 4.867 0 1 115 . 11 ILE HB H 1.464 0 1 116 . 11 ILE HG12 H 0.975 0 2 117 . 11 ILE HG13 H 1.66 0 2 118 . 11 ILE HG2 H 0.713 0 1 119 . 11 ILE N N 121.26 0 1 120 . 12 PHE C C 172.111 0 1 121 . 12 PHE CA C 54.374 0 1 122 . 12 PHE CB C 42.815 0 1 123 . 12 PHE H H 8.216 0 1 124 . 12 PHE HA H 5.111 0 1 125 . 12 PHE HB2 H 3.225 0 2 126 . 12 PHE HB3 H 3.559 0 2 127 . 12 PHE HD1 H 6.735 0 1 128 . 12 PHE HE1 H 6.53 0 1 129 . 12 PHE HZ H 6.306 0 1 130 . 12 PHE N N 122.051 0 1 131 . 13 ALA C C 176.341 0 1 132 . 13 ALA CA C 51.042 0 1 133 . 13 ALA CB C 23.736 0 1 134 . 13 ALA H H 9.271 0 1 135 . 13 ALA HA H 5.631 0 1 136 . 13 ALA HB H 1.451 0 1 137 . 13 ALA N N 124.068 0 1 138 . 14 VAL C C 176.258 0 1 139 . 14 VAL CA C 57.781 0 1 140 . 14 VAL CB C 36.36 0 1 141 . 14 VAL CG1 C 19.815 0 2 142 . 14 VAL CG2 C 23.332 0 2 143 . 14 VAL H H 9.151 0 1 144 . 14 VAL HA H 5.378 0 1 145 . 14 VAL HB H 2.128 0 1 146 . 14 VAL HG1 H 1.167 0 2 147 . 14 VAL HG2 H 0.995 0 2 148 . 14 VAL N N 111.152 0 1 149 . 15 ASP C C 177.764 0 1 150 . 15 ASP CA C 52.611 0 1 151 . 15 ASP CB C 41.508 0 1 152 . 15 ASP H H 8.481 0 1 153 . 15 ASP HA H 4.873 0 1 154 . 15 ASP HB2 H 2.735 0 2 155 . 15 ASP HB3 H 3.517 0 2 156 . 15 ASP N N 121.818 0 1 157 . 16 THR C C 175.146 0 1 158 . 16 THR CA C 64.638 0 1 159 . 16 THR CB C 68.075 0 1 160 . 16 THR CG2 C 21.738 0 1 161 . 16 THR H H 7.647 0 1 162 . 16 THR HA H 3.914 0 1 163 . 16 THR HB H 4.382 0 1 164 . 16 THR HG2 H 1.124 0 1 165 . 16 THR N N 106.294 0 1 166 . 17 ASP C C 176.627 0 1 167 . 17 ASP CA C 54.17 0 1 168 . 17 ASP CB C 42.034 0 1 169 . 17 ASP H H 8.113 0 1 170 . 17 ASP HA H 4.856 0 1 171 . 17 ASP HB2 H 2.697 0 2 172 . 17 ASP HB3 H 2.891 0 2 173 . 17 ASP N N 120.846 0 1 174 . 18 GLY C C 174.372 0 1 175 . 18 GLY CA C 45.919 0 1 176 . 18 GLY H H 8.281 0 1 177 . 18 GLY HA2 H 3.457 0 2 178 . 18 GLY HA3 H 4.252 0 2 179 . 18 GLY N N 107.985 0 1 180 . 19 CYS C C 175.185 0 1 181 . 19 CYS CA C 58.334 0 1 182 . 19 CYS CB C 28.835 0 1 183 . 19 CYS H H 8.575 0 1 184 . 19 CYS HA H 5.218 0 1 185 . 19 CYS HB2 H 3.237 0 2 186 . 19 CYS HB3 H 2.313 0 2 187 . 19 CYS N N 121.492 0 1 188 . 20 ILE C C 178.635 0 1 189 . 20 ILE CA C 59.258 0 1 190 . 20 ILE CB C 35.972 0 1 191 . 20 ILE CG1 C 26.541 0 1 192 . 20 ILE CG2 C 18.078 0 1 193 . 20 ILE H H 9.207 0 1 194 . 20 ILE HA H 4.716 0 1 195 . 20 ILE HB H 2.377 0 1 196 . 20 ILE HG12 H 1.044 0 2 197 . 20 ILE HG13 H 1.544 0 2 198 . 20 ILE HG2 H 1.055 0 1 199 . 20 ILE N N 123.681 0 1 200 . 21 ASN C C 175.15 0 1 201 . 21 ASN CA C 52.23 0 1 202 . 21 ASN CB C 38.314 0 1 203 . 21 ASN H H 9.482 0 1 204 . 21 ASN HA H 4.915 0 1 205 . 21 ASN HB2 H 2.665 0 2 206 . 21 ASN HB3 H 3.197 0 2 207 . 21 ASN N N 127.277 0 1 208 . 22 GLY C C 171.941 0 1 209 . 22 GLY CA C 46.599 0 1 210 . 22 GLY H H 7.801 0 1 211 . 22 GLY HA2 H 3.702 0 2 212 . 22 GLY HA3 H 4.344 0 2 213 . 22 GLY N N 108.937 0 1 214 . 23 TRP C C 173.086 0 1 215 . 23 TRP CA C 58.008 0 1 216 . 23 TRP CB C 32.276 0 1 217 . 23 TRP H H 8.864 0 1 218 . 23 TRP HA H 4.864 0 1 219 . 23 TRP HB2 H 2.889 0 2 220 . 23 TRP HB3 H 3.369 0 2 221 . 23 TRP HD1 H 6.618 0 1 222 . 23 TRP HE1 H 9.777 0 1 223 . 23 TRP HE3 H 7.848 0 1 224 . 23 TRP HH2 H 6.852 0 1 225 . 23 TRP HZ2 H 7.686 0 1 226 . 23 TRP HZ3 H 6.303 0 1 227 . 23 TRP N N 106.438 0 1 228 . 24 ASN C C 173.782 0 1 229 . 24 ASN CA C 51.676 0 1 230 . 24 ASN CB C 39.308 0 1 231 . 24 ASN H H 7.974 0 1 232 . 24 ASN HA H 4.797 0 1 233 . 24 ASN HB2 H 2.842 0 2 234 . 24 ASN HB3 H 3.638 0 2 235 . 24 ASN N N 125.628 0 1 236 . 25 ALA C C 180.414 0 1 237 . 25 ALA CA C 54.868 0 1 238 . 25 ALA CB C 18.021 0 1 239 . 25 ALA H H 8.232 0 1 240 . 25 ALA HA H 4.05 0 1 241 . 25 ALA HB H 1.418 0 1 242 . 25 ALA N N 119.655 0 1 243 . 26 LYS C C 177.766 0 1 244 . 26 LYS CA C 56.792 0 1 245 . 26 LYS CB C 30.15 0 1 246 . 26 LYS CG C 24.251 0 1 247 . 26 LYS H H 7.248 0 1 248 . 26 LYS HA H 4.172 0 1 249 . 26 LYS HB2 H 1.609 0 2 250 . 26 LYS HB3 H 1.457 0 2 251 . 26 LYS HG2 H 1.001 0 1 252 . 26 LYS HG3 H 1.001 0 1 253 . 26 LYS N N 116.653 0 1 254 . 27 VAL C C 177.523 0 1 255 . 27 VAL CA C 65.171 0 1 256 . 27 VAL CB C 31.425 0 1 257 . 27 VAL CG1 C 22.786 0 1 258 . 27 VAL CG2 C 18.976 0 1 259 . 27 VAL H H 7.954 0 1 260 . 27 VAL HA H 3.732 0 1 261 . 27 VAL HB H 1.385 0 1 262 . 27 VAL HG1 H 0.102 0 2 263 . 27 VAL HG2 H -0.194 0 2 264 . 27 VAL N N 120.095 0 1 265 . 28 ALA C C 180.26 0 1 266 . 28 ALA CA C 55.582 0 1 267 . 28 ALA CB C 18.596 0 1 268 . 28 ALA H H 7.591 0 1 269 . 28 ALA HA H 4.554 0 1 270 . 28 ALA HB H 1.566 0 1 271 . 28 ALA N N 129.358 0 1 272 . 29 GLU C C 179.166 0 1 273 . 29 GLU CA C 58.997 0 1 274 . 29 GLU CB C 30.093 0 1 275 . 29 GLU CG C 36.118 0 1 276 . 29 GLU H H 7.984 0 1 277 . 29 GLU HA H 3.896 0 1 278 . 29 GLU HB2 H 2.044 0 1 279 . 29 GLU HB3 H 2.044 0 1 280 . 29 GLU HG2 H 2.321 0 1 281 . 29 GLU HG3 H 2.321 0 1 282 . 29 GLU N N 121.336 0 1 283 . 30 LEU C C 178.473 0 1 284 . 30 LEU CA C 57.228 0 1 285 . 30 LEU CB C 43.417 0 1 286 . 30 LEU CD1 C 22.43 0 1 287 . 30 LEU CD2 C 22.422 0 1 288 . 30 LEU CG C 25.456 0 1 289 . 30 LEU H H 8.016 0 1 290 . 30 LEU HA H 4.029 0 1 291 . 30 LEU HB2 H 1.357 0 2 292 . 30 LEU HB3 H 1.689 0 2 293 . 30 LEU HG H 0.72 0 1 294 . 30 LEU HD2 H 0.783 0 1 295 . 30 LEU N N 117.487 0 1 296 . 30 LEU HD1 H 0.784 0 1 297 . 31 THR C C 176.18 0 1 298 . 31 THR CA C 63.319 0 1 299 . 31 THR CB C 73.109 0 1 300 . 31 THR H H 7.783 0 1 301 . 31 THR HA H 4.258 0 1 302 . 31 THR N N 128.592 0 1 303 . 31 THR CG2 C 22.492 0 1 304 . 31 THR HB H 4.671 0 1 305 . 31 THR HG2 H 1.399 0 1 306 . 32 GLY C C 172.555 0 1 307 . 32 GLY CA C 45.689 0 1 308 . 32 GLY HA2 H 3.74 0 2 309 . 32 GLY HA3 H 4.539 0 2 310 . 32 GLY H H 7.91 0 1 311 . 32 GLY N N 110.205 0 1 312 . 33 LEU C C 174.793 0 1 313 . 33 LEU CA C 52.977 0 1 314 . 33 LEU CB C 43.412 0 1 315 . 33 LEU H H 8.156 0 1 316 . 33 LEU HA H 4.412 0 1 317 . 33 LEU N N 125.056 0 1 318 . 33 LEU CD1 C 23.525 0 2 319 . 33 LEU CD2 C 23.519 0 2 320 . 33 LEU CG C 25.75 0 1 321 . 33 LEU HB2 H 1.98 0 2 322 . 33 LEU HB3 H 0.915 0 2 323 . 33 LEU HG H -0.156 0 1 324 . 33 LEU HD1 H -0.018 0 2 325 . 33 LEU HD2 H -0.004 0 2 326 . 34 SER C C 174.348 0 1 327 . 34 SER CA C 58.177 0 1 328 . 34 SER CB C 64.862 0 1 329 . 34 SER H H 8.373 0 1 330 . 34 SER HA H 4.364 0 1 331 . 34 SER HB2 H 3.993 0 2 332 . 34 SER HB3 H 4.254 0 2 333 . 34 SER N N 122.813 0 1 334 . 35 VAL C C 176.708 0 1 335 . 35 VAL CA C 66.578 0 1 336 . 35 VAL CB C 31.938 0 1 337 . 35 VAL CG1 C 20.692 0 2 338 . 35 VAL CG2 C 22.517 0 2 339 . 35 VAL H H 8.701 0 1 340 . 35 VAL HA H 3.679 0 1 341 . 35 VAL HB H 2.182 0 1 342 . 35 VAL HG1 H 1.062 0 2 343 . 35 VAL HG2 H 1.275 0 2 344 . 35 VAL N N 120.452 0 1 345 . 36 GLU C C 178.863 0 1 346 . 36 GLU CA C 59.965 0 1 347 . 36 GLU CB C 28.869 0 1 348 . 36 GLU CG C 36.945 0 1 349 . 36 GLU H H 8.407 0 1 350 . 36 GLU HA H 3.821 0 1 351 . 36 GLU HB2 H 1.869 0 1 352 . 36 GLU HB3 H 1.87 0 1 353 . 36 GLU HG2 H 2.34 0 2 354 . 36 GLU HG3 H 2.174 0 2 355 . 36 GLU N N 116.744 0 1 356 . 37 GLU C C 176.29 0 1 357 . 37 GLU CA C 57.287 0 1 358 . 37 GLU CB C 31.02 0 1 359 . 37 GLU CG C 37.423 0 1 360 . 37 GLU H H 7.261 0 1 361 . 37 GLU HA H 3.877 0 1 362 . 37 GLU HB2 H 1.74 0 1 363 . 37 GLU HB3 H 1.742 0 1 364 . 37 GLU HG2 H 2.014 0 1 365 . 37 GLU HG3 H 2.014 0 1 366 . 37 GLU N N 117.956 0 1 367 . 38 ALA C C 178.113 0 1 368 . 38 ALA CA C 53.701 0 1 369 . 38 ALA CB C 17.358 0 1 370 . 38 ALA H H 7.757 0 1 371 . 38 ALA HA H 3.172 0 1 372 . 38 ALA HB H -0.342 0 1 373 . 38 ALA N N 122.064 0 1 374 . 39 MET C C 177.837 0 1 375 . 39 MET CA C 56.157 0 1 376 . 39 MET CB C 30.862 0 1 377 . 39 MET CG C 32.696 0 1 378 . 39 MET H H 6.989 0 1 379 . 39 MET HA H 3.763 0 1 380 . 39 MET HB2 H 1.925 0 2 381 . 39 MET HB3 H 1.753 0 2 382 . 39 MET HG2 H 2.829 0 2 383 . 39 MET HG3 H 2.577 0 2 384 . 39 MET N N 112.934 0 1 385 . 40 GLY C C 174.619 0 1 386 . 40 GLY CA C 45.356 0 1 387 . 40 GLY H H 9.046 0 1 388 . 40 GLY HA2 H 3.508 0 2 389 . 40 GLY HA3 H 4.207 0 2 390 . 40 GLY N N 112.241 0 1 391 . 41 LYS C C 176.211 0 1 392 . 41 LYS CA C 55.616 0 1 393 . 41 LYS CB C 32.387 0 1 394 . 41 LYS CD C 28.405 0 1 395 . 41 LYS CG C 25.654 0 1 396 . 41 LYS H H 7.845 0 1 397 . 41 LYS HA H 4.024 0 1 398 . 41 LYS HB2 H 1.377 0 2 399 . 41 LYS HB3 H 1.813 0 2 400 . 41 LYS HD2 H 1.373 0 2 401 . 41 LYS HD3 H 1.381 0 2 402 . 41 LYS HE2 H 2.759 0 1 403 . 41 LYS HE3 H 2.759 0 1 404 . 41 LYS HG2 H 1.173 0 1 405 . 41 LYS HG3 H 1.174 0 1 406 . 41 LYS N N 120.484 0 1 407 . 42 SER C C 176.825 0 1 408 . 42 SER CA C 56.886 0 1 409 . 42 SER CB C 62.949 0 1 410 . 42 SER H H 9.193 0 1 411 . 42 SER HA H 4.692 0 1 412 . 42 SER HB2 H 3.776 0 2 413 . 42 SER HB3 H 3.74 0 2 414 . 42 SER N N 115.541 0 1 415 . 43 LEU C C 176.728 0 1 416 . 43 LEU CB C 42.387 0 1 417 . 43 LEU HB2 H 1.344 0 2 418 . 43 LEU HB3 H 2.054 0 2 419 . 43 LEU CA C 59.175 0 1 420 . 43 LEU CD1 C 23.521 0 2 421 . 43 LEU CD2 C 23.511 0 2 422 . 43 LEU CG C 28.018 0 1 423 . 43 LEU H H 8.28 0 1 424 . 43 LEU HA H 3.922 0 1 425 . 43 LEU HG H 0.721 0 1 426 . 43 LEU HD1 H 0.701 0 1 427 . 43 LEU HD2 H 0.701 0 1 428 . 43 LEU N N 107.427 0 1 429 . 44 VAL C C 176.955 0 1 430 . 44 VAL CA C 65.338 0 1 431 . 44 VAL CB C 32.143 0 1 432 . 44 VAL H H 8.927 0 1 433 . 44 VAL N N 114.985 0 1 434 . 44 VAL CG1 C 21.561 0 2 435 . 44 VAL CG2 C 23.117 0 2 436 . 44 VAL HA H 3.513 0 1 437 . 44 VAL HB H 1.756 0 1 438 . 44 VAL HG1 H 0.847 0 2 439 . 44 VAL HG2 H 0.889 0 2 440 . 45 ASN C C 176.314 0 1 441 . 45 ASN CA C 55.47 0 1 442 . 45 ASN CB C 38.713 0 1 443 . 45 ASN H H 7.923 0 1 444 . 45 ASN HA H 4.572 0 1 445 . 45 ASN HB2 H 2.74 0 2 446 . 45 ASN HB3 H 2.472 0 2 447 . 45 ASN N N 113.902 0 1 448 . 46 ASP C C 177.489 0 1 449 . 46 ASP CA C 56.149 0 1 450 . 46 ASP CB C 43.909 0 1 451 . 46 ASP H H 8.245 0 1 452 . 46 ASP HA H 5.075 0 1 453 . 46 ASP HB2 H 2.489 0 2 454 . 46 ASP HB3 H 2.931 0 2 455 . 46 ASP N N 114.5 0 1 456 . 47 LEU C C 176.594 0 1 457 . 47 LEU CA C 56.501 0 1 458 . 47 LEU CB C 43.816 0 1 459 . 47 LEU CD1 C 23.058 0 2 460 . 47 LEU CD2 C 22.974 0 2 461 . 47 LEU CG C 26.316 0 1 462 . 47 LEU H H 7.041 0 1 463 . 47 LEU HA H 4.796 0 1 464 . 47 LEU HB2 H 1.638 0 2 465 . 47 LEU HB3 H 2.121 0 2 466 . 47 LEU HG H 0.531 0 1 467 . 47 LEU HD1 H 0.488 0 1 468 . 47 LEU HD2 H 0.482 0 1 469 . 47 LEU N N 115.924 0 1 470 . 48 ILE C C 176.424 0 1 471 . 48 ILE CA C 59.112 0 1 472 . 48 ILE CB C 40.018 0 1 473 . 48 ILE H H 7.282 0 1 474 . 48 ILE N N 112.129 0 1 475 . 48 ILE CD1 C 14.446 0 1 476 . 48 ILE CG2 C 17.295 0 1 477 . 48 ILE HA H 5.008 0 1 478 . 48 ILE HB H 2.152 0 1 479 . 48 ILE HD1 H 0.801 0 1 480 . 48 ILE HG2 H 0.801 0 1 481 . 49 PHE C C 177.691 0 1 482 . 49 PHE CB C 39.954 0 1 483 . 49 PHE H H 8.367 0 1 484 . 49 PHE N N 123.278 0 1 485 . 49 PHE CA C 58.564 0 1 486 . 49 PHE HA H 4.441 0 1 487 . 49 PHE HB2 H 2.632 0 2 488 . 49 PHE HB3 H 3.153 0 2 489 . 49 PHE HD1 H 7.194 0 1 490 . 49 PHE HE1 H 7.388 0 1 491 . 50 LYS C C 178.508 0 1 492 . 50 LYS CA C 58.947 0 1 493 . 50 LYS CB C 32.136 0 1 494 . 50 LYS CD C 28.59 0 1 495 . 50 LYS CG C 24.35 0 1 496 . 50 LYS H H 8.476 0 1 497 . 50 LYS HA H 4.005 0 1 498 . 50 LYS HB2 H 1.71 0 1 499 . 50 LYS HB3 H 1.707 0 1 500 . 50 LYS HD2 H 1.673 0 1 501 . 50 LYS HD3 H 1.673 0 1 502 . 50 LYS HG2 H 1.405 0 1 503 . 50 LYS HG3 H 1.406 0 1 504 . 50 LYS N N 125.351 0 1 505 . 51 GLU C C 177.932 0 1 506 . 51 GLU CA C 59.266 0 1 507 . 51 GLU CB C 29.752 0 1 508 . 51 GLU CG C 36.916 0 1 509 . 51 GLU H H 8.456 0 1 510 . 51 GLU HA H 4.234 0 1 511 . 51 GLU HB2 H 2.104 0 1 512 . 51 GLU HB3 H 2.104 0 1 513 . 51 GLU HG2 H 2.297 0 1 514 . 51 GLU HG3 H 2.297 0 1 515 . 51 GLU N N 117.61 0 1 516 . 52 SER C C 173.555 0 1 517 . 52 SER CA C 59.609 0 1 518 . 52 SER CB C 64.876 0 1 519 . 52 SER H H 8.35 0 1 520 . 52 SER HA H 4.825 0 1 521 . 52 SER HB2 H 4.32 0 2 522 . 52 SER HB3 H 4.018 0 2 523 . 52 SER N N 114.991 0 1 524 . 53 GLU C C 176.957 0 1 525 . 53 GLU CA C 61.461 0 1 526 . 53 GLU CB C 29.921 0 1 527 . 53 GLU CG C 36.825 0 1 528 . 53 GLU H H 8.027 0 1 529 . 53 GLU HA H 3.613 0 1 530 . 53 GLU HB2 H 2.165 0 1 531 . 53 GLU HB3 H 2.164 0 1 532 . 53 GLU HG2 H 2.14 0 1 533 . 53 GLU HG3 H 2.139 0 1 534 . 53 GLU N N 124.257 0 1 535 . 54 GLU C C 179.441 0 1 536 . 54 GLU CA C 60.052 0 1 537 . 54 GLU CB C 28.967 0 1 538 . 54 GLU CG C 36.35 0 1 539 . 54 GLU H H 8.677 0 1 540 . 54 GLU HA H 4.11 0 1 541 . 54 GLU HB2 H 2.072 0 1 542 . 54 GLU HB3 H 2.073 0 1 543 . 54 GLU HG2 H 2.328 0 1 544 . 54 GLU HG3 H 2.234 0 1 545 . 54 GLU N N 119.778 0 1 546 . 55 THR C C 176.719 0 1 547 . 55 THR CA C 66.814 0 1 548 . 55 THR CB C 69.015 0 1 549 . 55 THR CG2 C 21.863 0 1 550 . 55 THR H H 8.197 0 1 551 . 55 THR HA H 3.846 0 1 552 . 55 THR HB H 4.265 0 1 553 . 55 THR HG2 H 1.196 0 1 554 . 55 THR N N 117.331 0 1 555 . 56 VAL C C 176.69 0 1 556 . 56 VAL CA C 67.178 0 1 557 . 56 VAL CB C 31.002 0 1 558 . 56 VAL CG1 C 22.78 0 2 559 . 56 VAL CG2 C 25.38 0 2 560 . 56 VAL H H 8.561 0 1 561 . 56 VAL HA H 3.567 0 1 562 . 56 VAL HB H 1.922 0 1 563 . 56 VAL HG1 H 0.809 0 2 564 . 56 VAL HG2 H 0.992 0 2 565 . 56 VAL N N 122.09 0 1 566 . 57 ASN C C 178.981 0 1 567 . 57 ASN CA C 56.556 0 1 568 . 57 ASN CB C 37.917 0 1 569 . 57 ASN H H 8.831 0 1 570 . 57 ASN HA H 4.512 0 1 571 . 57 ASN HB2 H 2.724 0 2 572 . 57 ASN HB3 H 2.894 0 2 573 . 57 ASN N N 120.442 0 1 574 . 58 LYS C C 177.971 0 1 575 . 58 LYS CA C 59.843 0 1 576 . 58 LYS CB C 32.215 0 1 577 . 58 LYS CG C 25.285 0 1 578 . 58 LYS H H 7.868 0 1 579 . 58 LYS HA H 4.055 0 1 580 . 58 LYS HB2 H 1.913 0 1 581 . 58 LYS HB3 H 1.914 0 1 582 . 58 LYS HG2 H 1.411 0 1 583 . 58 LYS HG3 H 1.41 0 1 584 . 58 LYS N N 121.398 0 1 585 . 59 LEU C C 179.231 0 1 586 . 59 LEU CA C 58.319 0 1 587 . 59 LEU CB C 43.338 0 1 588 . 59 LEU CD1 C 25.506 0 2 589 . 59 LEU CD2 C 25.464 0 2 590 . 59 LEU CG C 25.5 0 1 591 . 59 LEU H H 8.014 0 1 592 . 59 LEU HA H 4.095 0 1 593 . 59 LEU HB2 H 1.778 0 2 594 . 59 LEU HB3 H 1.989 0 2 595 . 59 LEU HG H 1.838 0 1 596 . 59 LEU HD1 H 0.918 0 2 597 . 59 LEU HD2 H 0.889 0 2 598 . 59 LEU N N 120.944 0 1 599 . 60 LEU C C 177.702 0 1 600 . 60 LEU CA C 58.552 0 1 601 . 60 LEU CB C 42.333 0 1 602 . 60 LEU CD1 C 25.481 0 1 603 . 60 LEU CD2 C 25.482 0 1 604 . 60 LEU H H 8.804 0 1 605 . 60 LEU HA H 3.928 0 1 606 . 60 LEU HB2 H 1.854 0 2 607 . 60 LEU HB3 H 1.69 0 2 608 . 60 LEU HG H 1.885 0 1 609 . 60 LEU HD1 H 0.994 0 1 610 . 60 LEU HD2 H 0.994 0 1 611 . 60 LEU N N 118.97 0 1 612 . 61 SER C C 177.491 0 1 613 . 61 SER CA C 61.729 0 1 614 . 61 SER CB C 62.802 0 1 615 . 61 SER H H 7.835 0 1 616 . 61 SER HA H 3.979 0 1 617 . 61 SER N N 112.869 0 1 618 . 62 ARG C C 179.096 0 1 619 . 62 ARG CA C 59.805 0 1 620 . 62 ARG CB C 29.581 0 1 621 . 62 ARG CG C 28.358 0 1 622 . 62 ARG H H 7.953 0 1 623 . 62 ARG HA H 3.994 0 1 624 . 62 ARG HB2 H 2.098 0 1 625 . 62 ARG HB3 H 2.098 0 1 626 . 62 ARG HG2 H 1.764 0 1 627 . 62 ARG HG3 H 1.764 0 1 628 . 62 ARG N N 120.73 0 1 629 . 63 ALA C C 182.309 0 1 630 . 63 ALA CA C 55.334 0 1 631 . 63 ALA CB C 18.755 0 1 632 . 63 ALA H H 8.607 0 1 633 . 63 ALA HA H 3.99 0 1 634 . 63 ALA HB H 1.278 0 1 635 . 63 ALA N N 124.331 0 1 636 . 64 LEU C C 176.902 0 1 637 . 64 LEU CA C 57.054 0 1 638 . 64 LEU CB C 41.097 0 1 639 . 64 LEU CD1 C 23.324 0 2 640 . 64 LEU CD2 C 25.65 0 2 641 . 64 LEU CG C 26.926 0 1 642 . 64 LEU H H 8.325 0 1 643 . 64 LEU HA H 4.082 0 1 644 . 64 LEU HB2 H 1.889 0 2 645 . 64 LEU HB3 H 1.452 0 2 646 . 64 LEU HG H 1.716 0 1 647 . 64 LEU HD1 H 0.647 0 2 648 . 64 LEU HD2 H 0.833 0 2 649 . 64 LEU N N 119.817 0 1 650 . 65 ARG C C 176.913 0 1 651 . 65 ARG CA C 55.336 0 1 652 . 65 ARG CB C 30.884 0 1 653 . 65 ARG CD C 43.725 0 1 654 . 65 ARG CG C 27.224 0 1 655 . 65 ARG H H 7.355 0 1 656 . 65 ARG HA H 4.529 0 1 657 . 65 ARG HB2 H 1.927 0 1 658 . 65 ARG HB3 H 1.929 0 1 659 . 65 ARG HD2 H 3.173 0 1 660 . 65 ARG HD3 H 3.17 0 1 661 . 65 ARG HG2 H 1.865 0 1 662 . 65 ARG HG3 H 1.659 0 1 663 . 65 ARG N N 115.857 0 1 664 . 66 GLY C C 173.185 0 1 665 . 66 GLY CA C 45.169 0 1 666 . 66 GLY H H 7.526 0 1 667 . 66 GLY HA2 H 3.725 0 2 668 . 66 GLY HA3 H 4.183 0 2 669 . 66 GLY N N 109.016 0 1 670 . 67 ASP C C 174.256 0 1 671 . 67 ASP CA C 54.025 0 1 672 . 67 ASP CB C 41.454 0 1 673 . 67 ASP H H 7.936 0 1 674 . 67 ASP HA H 4.736 0 1 675 . 67 ASP HB2 H 2.335 0 2 676 . 67 ASP HB3 H 2.413 0 2 677 . 67 ASP N N 124.137 0 1 678 . 68 GLU C C 175.249 0 1 679 . 68 GLU CA C 56.073 0 1 680 . 68 GLU CB C 30.846 0 1 681 . 68 GLU CG C 37.013 0 1 682 . 68 GLU H H 8.146 0 1 683 . 68 GLU HA H 4.095 0 1 684 . 68 GLU HB2 H 2.153 0 1 685 . 68 GLU HB3 H 2.154 0 1 686 . 68 GLU HG2 H 2.151 0 1 687 . 68 GLU HG3 H 2.147 0 1 688 . 68 GLU N N 123.217 0 1 689 . 69 ASP C C 174.993 0 1 690 . 69 ASP CA C 54.249 0 1 691 . 69 ASP CB C 43.378 0 1 692 . 69 ASP H H 8.217 0 1 693 . 69 ASP HA H 4.793 0 1 694 . 69 ASP HB2 H 2.409 0 1 695 . 69 ASP HB3 H 2.41 0 1 696 . 69 ASP N N 124.782 0 1 697 . 70 LYS C C 175.479 0 1 698 . 70 LYS CA C 54.454 0 1 699 . 70 LYS CB C 35.958 0 1 700 . 70 LYS CD C 29.177 0 1 701 . 70 LYS CG C 25.072 0 1 702 . 70 LYS H H 8.374 0 1 703 . 70 LYS HA H 4.691 0 1 704 . 70 LYS HB2 H 1.656 0 1 705 . 70 LYS HB3 H 1.657 0 1 706 . 70 LYS HD2 H 1.567 0 1 707 . 70 LYS HD3 H 1.57 0 1 708 . 70 LYS HG2 H 1.176 0 2 709 . 70 LYS HG3 H 1.361 0 2 710 . 70 LYS N N 118.773 0 1 711 . 71 ASN C C 173.984 0 1 712 . 71 ASN CA C 54.511 0 1 713 . 71 ASN CB C 37.057 0 1 714 . 71 ASN H H 8.762 0 1 715 . 71 ASN HA H 3.853 0 1 716 . 71 ASN HB2 H 2.766 0 1 717 . 71 ASN HB3 H 2.764 0 1 718 . 71 ASN N N 118.268 0 1 719 . 72 VAL C C 174.873 0 1 720 . 72 VAL CA C 62.316 0 1 721 . 72 VAL CB C 33.253 0 1 722 . 72 VAL CG1 C 21.553 0 2 723 . 72 VAL CG2 C 21.584 0 2 724 . 72 VAL H H 8.982 0 1 725 . 72 VAL HA H 4.103 0 1 726 . 72 VAL HB H 1.789 0 1 727 . 72 VAL HG1 H 0.808 0 1 728 . 72 VAL HG2 H 0.798 0 1 729 . 72 VAL N N 121.846 0 1 730 . 73 GLU C C 175.962 0 1 731 . 73 GLU CA C 56.171 0 1 732 . 73 GLU CB C 31.705 0 1 733 . 73 GLU CG C 37.674 0 1 734 . 73 GLU H H 8.525 0 1 735 . 73 GLU HA H 4.849 0 1 736 . 73 GLU HB2 H 1.991 0 1 737 . 73 GLU HB3 H 1.992 0 1 738 . 73 GLU HG2 H 1.99 0 1 739 . 73 GLU HG3 H 1.992 0 1 740 . 73 GLU N N 128.944 0 1 741 . 74 ILE C C 172.716 0 1 742 . 74 ILE CB C 42.228 0 1 743 . 74 ILE CA C 60.642 0 1 744 . 74 ILE CD1 C 14.027 0 1 745 . 74 ILE CG1 C 26.417 0 1 746 . 74 ILE CG2 C 18.043 0 1 747 . 74 ILE H H 9.126 0 1 748 . 74 ILE HA H 4.249 0 1 749 . 74 ILE HB H 1.503 0 1 750 . 74 ILE HG12 H 0.887 0 2 751 . 74 ILE HG13 H 1.425 0 2 752 . 74 ILE HD1 H 0.592 0 1 753 . 74 ILE HG2 H 0.695 0 1 754 . 74 ILE N N 124.826 0 1 755 . 75 LYS C C 175.203 0 1 756 . 75 LYS CA C 54.537 0 1 757 . 75 LYS CB C 34.627 0 1 758 . 75 LYS H H 7.998 0 1 759 . 75 LYS N N 125.208 0 1 760 . 75 LYS CG C 25.055 0 1 761 . 75 LYS HA H 4.786 0 1 762 . 75 LYS HB2 H 1.546 0 2 763 . 75 LYS HB3 H 1.367 0 2 764 . 75 LYS HG2 H 0.546 0 1 765 . 75 LYS HG3 H 0.546 0 1 766 . 76 LEU C C 176.562 0 1 767 . 76 LEU CA C 54.131 0 1 768 . 76 LEU CB C 44.062 0 1 769 . 76 LEU H H 8.802 0 1 770 . 76 LEU N N 126.381 0 1 771 . 76 LEU CD1 C 22.94 0 2 772 . 76 LEU CD2 C 22.974 0 2 773 . 76 LEU CG C 25.303 0 1 774 . 76 LEU HA H 4.718 0 1 775 . 76 LEU HB2 H 1.763 0 2 776 . 76 LEU HB3 H 1.467 0 2 777 . 76 LEU HG H 0.402 0 1 778 . 76 LEU HD1 H 0.501 0 1 779 . 76 LEU HD2 H 0.5 0 1 780 . 77 LYS C C 174.373 0 1 781 . 77 LYS CA C 57.499 0 1 782 . 77 LYS CB C 34.659 0 1 783 . 77 LYS H H 7.889 0 1 784 . 77 LYS N N 118.997 0 1 785 . 77 LYS CG C 26.081 0 1 786 . 77 LYS HA H 4.04 0 1 787 . 77 LYS HB2 H 1.19 0 2 788 . 77 LYS HB3 H 1.38 0 2 789 . 77 LYS HG2 H 0.885 0 1 790 . 77 LYS HG3 H 0.885 0 1 791 . 78 THR C C 175.173 0 1 792 . 78 THR CA C 58.646 0 1 793 . 78 THR CB C 72.204 0 1 794 . 78 THR H H 6.88 0 1 795 . 78 THR HA H 5.043 0 1 796 . 78 THR N N 129.987 0 1 797 . 78 THR CG2 C 23.563 0 1 798 . 78 THR HB H 3.859 0 1 799 . 78 THR HG2 H 1.247 0 1 800 . 79 PHE C C 175.726 0 1 801 . 79 PHE CA C 57.528 0 1 802 . 79 PHE CB C 43.864 0 1 803 . 79 PHE H H 8.911 0 1 804 . 79 PHE HA H 4.651 0 1 805 . 79 PHE HB2 H 3.139 0 2 806 . 79 PHE HB3 H 2.395 0 2 807 . 79 PHE N N 117.553 0 1 808 . 79 PHE HD1 H 7.171 0 1 809 . 79 PHE HE1 H 7.329 0 1 810 . 79 PHE HZ H 7.208 0 1 811 . 80 GLY C C 174.719 0 1 812 . 80 GLY CA C 45.345 0 1 813 . 80 GLY H H 8.84 0 1 814 . 80 GLY N N 109.639 0 1 815 . 80 GLY HA2 H 3.884 0 2 816 . 80 GLY HA3 H 4.354 0 2 817 . 81 PRO C C 177.632 0 1 818 . 81 PRO CA C 64.463 0 1 819 . 81 PRO CB C 32.103 0 1 820 . 81 PRO CG C 27.023 0 1 821 . 81 PRO HA H 4.455 0 1 822 . 81 PRO HB2 H 2.094 0 2 823 . 81 PRO HB3 H 2.361 0 2 824 . 81 PRO HG2 H 2.093 0 1 825 . 81 PRO HG3 H 2.097 0 1 826 . 82 GLU C C 177.159 0 1 827 . 82 GLU CA C 55.872 0 1 828 . 82 GLU CB C 29.483 0 1 829 . 82 GLU H H 8.024 0 1 830 . 82 GLU N N 116.94 0 1 831 . 82 GLU CG C 35.757 0 1 832 . 82 GLU HA H 4.397 0 1 833 . 82 GLU HB2 H 1.923 0 2 834 . 82 GLU HB3 H 2.263 0 2 835 . 82 GLU HG2 H 2.166 0 2 836 . 82 GLU HG3 H 2.319 0 2 837 . 83 GLN C C 177.806 0 1 838 . 83 GLN CB C 32.389 0 1 839 . 83 GLN H H 7.409 0 1 840 . 83 GLN HA H 4.139 0 1 841 . 83 GLN N N 120.266 0 1 842 . 83 GLN CA C 57.808 0 1 843 . 83 GLN CG C 29.581 0 1 844 . 83 GLN HB2 H 2.255 0 1 845 . 83 GLN HB3 H 2.255 0 1 846 . 83 GLN HG2 H 1.907 0 1 847 . 83 GLN HG3 H 1.906 0 1 848 . 84 SER C C 175.186 0 1 849 . 84 SER CA C 59.646 0 1 850 . 84 SER CB C 62.868 0 1 851 . 84 SER H H 8.194 0 1 852 . 84 SER HA H 4.171 0 1 853 . 84 SER HB2 H 3.868 0 1 854 . 84 SER HB3 H 3.868 0 1 855 . 84 SER N N 114.561 0 1 856 . 85 LYS C C 177.33 0 1 857 . 85 LYS CA C 57.178 0 1 858 . 85 LYS CB C 32.722 0 1 859 . 85 LYS H H 7.841 0 1 860 . 85 LYS N N 121.915 0 1 861 . 85 LYS CD C 29.425 0 1 862 . 85 LYS CG C 25.484 0 1 863 . 85 LYS HA H 4.176 0 1 864 . 85 LYS HB2 H 1.939 0 1 865 . 85 LYS HB3 H 1.938 0 1 866 . 85 LYS HD2 H 1.671 0 1 867 . 85 LYS HD3 H 1.672 0 1 868 . 85 LYS HG2 H 1.417 0 1 869 . 85 LYS HG3 H 1.417 0 1 870 . 86 GLY C C 170.711 0 1 871 . 86 GLY H H 7.496 0 1 872 . 86 GLY N N 107.969 0 1 873 . 86 GLY CA C 44.26 0 1 874 . 86 GLY HA2 H 3.813 0 2 875 . 86 GLY HA3 H 4.228 0 2 876 . 87 PRO C C 176.216 0 1 877 . 87 PRO CA C 62.594 0 1 878 . 87 PRO CB C 32.711 0 1 879 . 87 PRO CG C 26.093 0 1 880 . 87 PRO HA H 4.502 0 1 881 . 87 PRO HB2 H 1.3 0 2 882 . 87 PRO HB3 H 0.979 0 2 883 . 87 PRO HG2 H 1.177 0 2 884 . 87 PRO HG3 H 0.98 0 2 885 . 88 ILE C C 174.247 0 1 886 . 88 ILE CA C 58.339 0 1 887 . 88 ILE CB C 39.958 0 1 888 . 88 ILE CG2 C 17.953 0 1 889 . 88 ILE H H 8.227 0 1 890 . 88 ILE HA H 4.473 0 1 891 . 88 ILE HG2 H 0.718 0 1 892 . 88 ILE N N 117.466 0 1 893 . 88 ILE CD1 C 12.989 0 1 894 . 88 ILE CG1 C 26.672 0 1 895 . 88 ILE HB H 1.726 0 1 896 . 88 ILE HG12 H 1.128 0 1 897 . 88 ILE HG13 H 1.127 0 1 898 . 88 ILE HD1 H 0.718 0 1 899 . 89 PHE C C 175.612 0 1 900 . 89 PHE CA C 56.626 0 1 901 . 89 PHE CB C 40.217 0 1 902 . 89 PHE H H 8.446 0 1 903 . 89 PHE N N 124.946 0 1 904 . 89 PHE HA H 5.122 0 1 905 . 89 PHE HB2 H 2.762 0 2 906 . 89 PHE HB3 H 2.916 0 2 907 . 89 PHE HD1 H 7.084 0 1 908 . 89 PHE HE1 H 7.196 0 1 909 . 90 VAL C C 173.128 0 1 910 . 90 VAL CA C 59.631 0 1 911 . 90 VAL CB C 34.89 0 1 912 . 90 VAL H H 8.876 0 1 913 . 90 VAL HA H 4.507 0 1 914 . 90 VAL N N 120.927 0 1 915 . 90 VAL CG1 C 20.602 0 1 916 . 90 VAL CG2 C 22.013 0 1 917 . 90 VAL HB H 1.842 0 1 918 . 90 VAL HG1 H 0.789 0 2 919 . 90 VAL HG2 H 1.021 0 2 920 . 91 ILE C C 176.223 0 1 921 . 91 ILE CA C 59.844 0 1 922 . 91 ILE CB C 37.586 0 1 923 . 91 ILE H H 8.6 0 1 924 . 91 ILE N N 126.583 0 1 925 . 91 ILE CD1 C 12.284 0 1 926 . 91 ILE CG1 C 27.692 0 1 927 . 91 ILE CG2 C 17.802 0 1 928 . 91 ILE HA H 4.639 0 1 929 . 91 ILE HB H 1.708 0 1 930 . 91 ILE HG12 H 1.476 0 2 931 . 91 ILE HG13 H 0.956 0 2 932 . 91 ILE HD1 H 0.764 0 1 933 . 91 ILE HG2 H 0.603 0 1 934 . 92 VAL C C 174.363 0 1 935 . 92 VAL CA C 58.215 0 1 936 . 92 VAL CB C 35.76 0 1 937 . 92 VAL CG1 C 18.731 0 2 938 . 92 VAL CG2 C 21.385 0 2 939 . 92 VAL H H 9.18 0 1 940 . 92 VAL HA H 5.262 0 1 941 . 92 VAL HG1 H 0.819 0 2 942 . 92 VAL HG2 H 0.699 0 2 943 . 92 VAL N N 118.457 0 1 944 . 93 ASN C C 174.546 0 1 945 . 93 ASN CA C 51.364 0 1 946 . 93 ASN CB C 38.807 0 1 947 . 93 ASN H H 8.148 0 1 948 . 93 ASN HA H 5.188 0 1 949 . 93 ASN HB2 H 2.795 0 2 950 . 93 ASN HB3 H 2.546 0 2 951 . 93 ASN N N 118.554 0 1 952 . 94 ALA C C 176.022 0 1 953 . 94 ALA CA C 51.013 0 1 954 . 94 ALA CB C 21.267 0 1 955 . 94 ALA H H 8.425 0 1 956 . 94 ALA HA H 4.54 0 1 957 . 94 ALA HB H 1.119 0 1 958 . 94 ALA N N 126.089 0 1 959 . 95 CYS C C 174.269 0 1 960 . 95 CYS CA C 56.236 0 1 961 . 95 CYS CB C 29.973 0 1 962 . 95 CYS H H 8.478 0 1 963 . 95 CYS HA H 4.732 0 1 964 . 95 CYS HB2 H 2.732 0 1 965 . 95 CYS HB3 H 2.731 0 1 966 . 95 CYS N N 119.778 0 1 967 . 96 SER C C 173.696 0 1 968 . 96 SER CA C 60.655 0 1 969 . 96 SER CB C 63.107 0 1 970 . 96 SER H H 9.994 0 1 971 . 96 SER HA H 4.159 0 1 972 . 96 SER HB2 H 3.835 0 2 973 . 96 SER HB3 H 3.603 0 2 974 . 96 SER N N 124.191 0 1 975 . 97 SER C C 173.536 0 1 976 . 97 SER CA C 57.25 0 1 977 . 97 SER CB C 63.288 0 1 978 . 97 SER H H 8.358 0 1 979 . 97 SER HA H 4.517 0 1 980 . 97 SER HB2 H 3.457 0 2 981 . 97 SER HB3 H 3.162 0 2 982 . 97 SER N N 123.311 0 1 983 . 98 ARG C C 176.535 0 1 984 . 98 ARG CA C 54.194 0 1 985 . 98 ARG CB C 33.997 0 1 986 . 98 ARG CD C 43.252 0 1 987 . 98 ARG CG C 28.644 0 1 988 . 98 ARG H H 8.576 0 1 989 . 98 ARG HA H 5.402 0 1 990 . 98 ARG HB2 H 1.53 0 1 991 . 98 ARG HB3 H 1.53 0 1 992 . 98 ARG HD2 H 2.923 0 1 993 . 98 ARG HD3 H 2.923 0 1 994 . 98 ARG HG2 H 1.292 0 2 995 . 98 ARG HG3 H 1.374 0 2 996 . 98 ARG N N 125.579 0 1 997 . 99 ASP C C 179.192 0 1 998 . 99 ASP CA C 51.903 0 1 999 . 99 ASP CB C 41.669 0 1 1000 . 99 ASP H H 8.08 0 1 1001 . 99 ASP HA H 4.75 0 1 1002 . 99 ASP HB2 H 2.551 0 2 1003 . 99 ASP HB3 H 3.258 0 2 1004 . 99 ASP N N 121.927 0 1 1005 . 100 TYR C C 176.679 0 1 1006 . 100 TYR CA C 60.362 0 1 1007 . 100 TYR CB C 37.442 0 1 1008 . 100 TYR H H 8.155 0 1 1009 . 100 TYR HA H 4.326 0 1 1010 . 100 TYR HB2 H 3.092 0 2 1011 . 100 TYR HB3 H 3.142 0 2 1012 . 100 TYR HD1 H 7.134 0 1 1013 . 100 TYR N N 118.247 0 1 1014 . 101 THR C C 174.44 0 1 1015 . 101 THR CA C 61.848 0 1 1016 . 101 THR CB C 69.386 0 1 1017 . 101 THR CG2 C 21.62 0 1 1018 . 101 THR H H 7.761 0 1 1019 . 101 THR HA H 4.145 0 1 1020 . 101 THR HB H 4.145 0 1 1021 . 101 THR HG2 H 0.875 0 1 1022 . 101 THR N N 112.494 0 1 1023 . 102 LYS C C 175.307 0 1 1024 . 102 LYS CA C 58.737 0 1 1025 . 102 LYS CB C 29.399 0 1 1026 . 102 LYS CD C 29.146 0 1 1027 . 102 LYS CE C 42.138 0 1 1028 . 102 LYS CG C 25.468 0 1 1029 . 102 LYS H H 8.022 0 1 1030 . 102 LYS HA H 3.618 0 1 1031 . 102 LYS HB2 H 2.287 0 1 1032 . 102 LYS HB3 H 2.288 0 1 1033 . 102 LYS HD2 H 1.565 0 2 1034 . 102 LYS HD3 H 1.979 0 2 1035 . 102 LYS HE2 H 2.908 0 1 1036 . 102 LYS HE3 H 2.908 0 1 1037 . 102 LYS HG2 H 1.279 0 1 1038 . 102 LYS HG3 H 1.278 0 1 1039 . 102 LYS N N 113.372 0 1 1040 . 103 ASN C C 174.753 0 1 1041 . 103 ASN CA C 53.204 0 1 1042 . 103 ASN CB C 39.076 0 1 1043 . 103 ASN H H 8.092 0 1 1044 . 103 ASN HA H 4.558 0 1 1045 . 103 ASN HB2 H 2.505 0 2 1046 . 103 ASN HB3 H 2.556 0 2 1047 . 103 ASN N N 120.47 0 1 1048 . 104 ILE C C 177.197 0 1 1049 . 104 ILE CA C 62.791 0 1 1050 . 104 ILE CB C 37.775 0 1 1051 . 104 ILE CD1 C 13.658 0 1 1052 . 104 ILE CG2 C 18.275 0 1 1053 . 104 ILE H H 8.568 0 1 1054 . 104 ILE HA H 4.255 0 1 1055 . 104 ILE HB H 1.724 0 1 1056 . 104 ILE HD1 H 0.708 0 1 1057 . 104 ILE HG2 H 1.063 0 1 1058 . 104 ILE N N 122.527 0 1 1059 . 105 VAL C C 175.483 0 1 1060 . 105 VAL CA C 60.421 0 1 1061 . 105 VAL CB C 31.975 0 1 1062 . 105 VAL CG1 C 17.786 0 2 1063 . 105 VAL CG2 C 21.401 0 2 1064 . 105 VAL H H 8.692 0 1 1065 . 105 VAL HA H 4.413 0 1 1066 . 105 VAL HB H 2.428 0 1 1067 . 105 VAL HG1 H 0.49 0 2 1068 . 105 VAL HG2 H 0.742 0 2 1069 . 105 VAL N N 120.332 0 1 1070 . 106 GLY C C 170.727 0 1 1071 . 106 GLY CA C 45.491 0 1 1072 . 106 GLY H H 7.577 0 1 1073 . 106 GLY HA2 H 3.516 0 2 1074 . 106 GLY HA3 H 4.623 0 2 1075 . 106 GLY N N 109.938 0 1 1076 . 107 VAL C C 173.044 0 1 1077 . 107 VAL CA C 61.168 0 1 1078 . 107 VAL CB C 36.104 0 1 1079 . 107 VAL CG1 C 21.683 0 2 1080 . 107 VAL CG2 C 22.615 0 2 1081 . 107 VAL H H 8.228 0 1 1082 . 107 VAL HA H 4.386 0 1 1083 . 107 VAL HB H 1.49 0 1 1084 . 107 VAL HG1 H -0.017 0 2 1085 . 107 VAL HG2 H 0.667 0 2 1086 . 107 VAL N N 119.152 0 1 1087 . 108 CYS C C 171.822 0 1 1088 . 108 CYS CA C 57.076 0 1 1089 . 108 CYS CB C 28.875 0 1 1090 . 108 CYS H H 9.014 0 1 1091 . 108 CYS HA H 4.657 0 1 1092 . 108 CYS HB2 H 2.518 0 1 1093 . 108 CYS HB3 H 2.519 0 1 1094 . 108 CYS N N 126.962 0 1 1095 . 109 PHE C C 173.258 0 1 1096 . 109 PHE CA C 56.512 0 1 1097 . 109 PHE CB C 38.705 0 1 1098 . 109 PHE H H 9.349 0 1 1099 . 109 PHE HA H 4.8 0 1 1100 . 109 PHE HB2 H 1.44 0 2 1101 . 109 PHE HB3 H 1.712 0 2 1102 . 109 PHE HD1 H 6.81 0 1 1103 . 109 PHE HE1 H 7.033 0 1 1104 . 109 PHE HZ H 6.532 0 1 1105 . 109 PHE N N 128.007 0 1 1106 . 110 VAL C C 177.313 0 1 1107 . 110 VAL CA C 61.176 0 1 1108 . 110 VAL CB C 33.896 0 1 1109 . 110 VAL CG1 C 20.879 0 2 1110 . 110 VAL CG2 C 21.583 0 2 1111 . 110 VAL H H 8.359 0 1 1112 . 110 VAL HA H 4.216 0 1 1113 . 110 VAL HB H 1.847 0 1 1114 . 110 VAL HG1 H 0.851 0 2 1115 . 110 VAL HG2 H 0.838 0 2 1116 . 110 VAL N N 122.26 0 1 1117 . 111 GLY C C 171.508 0 1 1118 . 111 GLY CA C 45.883 0 1 1119 . 111 GLY H H 8.845 0 1 1120 . 111 GLY HA2 H 4.582 0 2 1121 . 111 GLY HA3 H 3.49 0 2 1122 . 111 GLY N N 118.018 0 1 1123 . 112 GLN C C 175.741 0 1 1124 . 112 GLN CA C 53.784 0 1 1125 . 112 GLN CB C 31.035 0 1 1126 . 112 GLN CG C 33.669 0 1 1127 . 112 GLN H H 8.402 0 1 1128 . 112 GLN HA H 4.316 0 1 1129 . 112 GLN HB2 H 1.643 0 2 1130 . 112 GLN HB3 H 2.072 0 2 1131 . 112 GLN HG2 H 2.246 0 1 1132 . 112 GLN HG3 H 2.246 0 1 1133 . 112 GLN N N 119.458 0 1 1134 . 113 ASP C C 176.238 0 1 1135 . 113 ASP CA C 53.874 0 1 1136 . 113 ASP CB C 41.407 0 1 1137 . 113 ASP H H 8.546 0 1 1138 . 113 ASP HA H 4.631 0 1 1139 . 113 ASP HB2 H 2.441 0 2 1140 . 113 ASP HB3 H 2.632 0 2 1141 . 113 ASP N N 122.882 0 1 1142 . 114 VAL C C 176.455 0 1 1143 . 114 VAL CA C 62.033 0 1 1144 . 114 VAL CB C 32.507 0 1 1145 . 114 VAL CG1 C 19.808 0 2 1146 . 114 VAL CG2 C 21.187 0 2 1147 . 114 VAL H H 8.238 0 1 1148 . 114 VAL HA H 4.254 0 1 1149 . 114 VAL HB H 2.146 0 1 1150 . 114 VAL HG1 H 0.871 0 1 1151 . 114 VAL HG2 H 0.871 0 1 1152 . 114 VAL N N 121.272 0 1 1153 . 115 THR C C 175.288 0 1 1154 . 115 THR CA C 62.645 0 1 1155 . 115 THR CB C 69.865 0 1 1156 . 115 THR CG2 C 21.623 0 1 1157 . 115 THR H H 8.269 0 1 1158 . 115 THR HA H 4.274 0 1 1159 . 115 THR HB H 4.153 0 1 1160 . 115 THR HG2 H 1.177 0 1 1161 . 115 THR N N 117.79 0 1 1162 . 116 GLY C C 173.313 0 1 1163 . 116 GLY CA C 45.529 0 1 1164 . 116 GLY H H 8.361 0 1 1165 . 116 GLY HA2 H 3.897 0 1 1166 . 116 GLY HA3 H 3.897 0 1 1167 . 116 GLY N N 112.256 0 1 1168 . 117 GLN C C 180.63 0 1 1169 . 117 GLN CA C 57.152 0 1 1170 . 117 GLN CB C 30.348 0 1 1171 . 117 GLN H H 7.764 0 1 1172 . 117 GLN HA H 4.104 0 1 1173 . 117 GLN HB2 H 1.841 0 1 1174 . 117 GLN HB3 H 1.842 0 1 1175 . 117 GLN HG2 H 2.178 0 1 1176 . 117 GLN HG3 H 2.178 0 1 1177 . 117 GLN N N 125.376 0 1 stop_ save_