data_26912 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of the first and second RRMs of Nrd1, a fission yeast MAPK target RNA binding protein ; _BMRB_accession_number 26912 _BMRB_flat_file_name bmr26912.str _Entry_type original _Submission_date 2016-09-29 _Accession_date 2016-09-29 _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 Ayaho . . 2 Kanaba Teppei . . 3 Mishima Masaki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 724 "13C chemical shifts" 625 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-13 update BMRB 'update entry citation' 2017-04-26 original author 'original release' stop_ _Original_release_date 2016-09-29 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of the first and second RRMs of Nrd1, a fission yeast MAPK-target RNA binding protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28284018 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kobayashi Ayaho . . 2 Kanaba Teppei . . 3 Satoh Ryosuke . . 4 Ito Yutaka . . 5 Sugiura Reiko . . 6 Mishima Masaki . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 123 _Page_last 126 _Year 2017 _Details . loop_ _Keyword MAPK Nrd1 'RNA binding' RRM multidomain stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nrd1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Nrd1, chain 1' $Nrd1 'Nrd1, chain 2' $Nrd1 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_Nrd1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nrd1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; NNTTQPVKTVYVGNLPPNTP IDEILSCVRTGPIESAWILP EKNCAFISFLDPSHATAFFQ DAALKRLTIRGTEVKVGWGK NSASNSSVLLAVQQSGACRN VFLGNLPNGITEDEIREDLE PFGPIDQIKIVTERNIAFVH FLNIAAAIKAVQELPLNPKW SKRRIYYGRDRCAVGLK ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 ASN 3 THR 4 THR 5 GLN 6 PRO 7 VAL 8 LYS 9 THR 10 VAL 11 TYR 12 VAL 13 GLY 14 ASN 15 LEU 16 PRO 17 PRO 18 ASN 19 THR 20 PRO 21 ILE 22 ASP 23 GLU 24 ILE 25 LEU 26 SER 27 CYS 28 VAL 29 ARG 30 THR 31 GLY 32 PRO 33 ILE 34 GLU 35 SER 36 ALA 37 TRP 38 ILE 39 LEU 40 PRO 41 GLU 42 LYS 43 ASN 44 CYS 45 ALA 46 PHE 47 ILE 48 SER 49 PHE 50 LEU 51 ASP 52 PRO 53 SER 54 HIS 55 ALA 56 THR 57 ALA 58 PHE 59 PHE 60 GLN 61 ASP 62 ALA 63 ALA 64 LEU 65 LYS 66 ARG 67 LEU 68 THR 69 ILE 70 ARG 71 GLY 72 THR 73 GLU 74 VAL 75 LYS 76 VAL 77 GLY 78 TRP 79 GLY 80 LYS 81 ASN 82 SER 83 ALA 84 SER 85 ASN 86 SER 87 SER 88 VAL 89 LEU 90 LEU 91 ALA 92 VAL 93 GLN 94 GLN 95 SER 96 GLY 97 ALA 98 CYS 99 ARG 100 ASN 101 VAL 102 PHE 103 LEU 104 GLY 105 ASN 106 LEU 107 PRO 108 ASN 109 GLY 110 ILE 111 THR 112 GLU 113 ASP 114 GLU 115 ILE 116 ARG 117 GLU 118 ASP 119 LEU 120 GLU 121 PRO 122 PHE 123 GLY 124 PRO 125 ILE 126 ASP 127 GLN 128 ILE 129 LYS 130 ILE 131 VAL 132 THR 133 GLU 134 ARG 135 ASN 136 ILE 137 ALA 138 PHE 139 VAL 140 HIS 141 PHE 142 LEU 143 ASN 144 ILE 145 ALA 146 ALA 147 ALA 148 ILE 149 LYS 150 ALA 151 VAL 152 GLN 153 GLU 154 LEU 155 PRO 156 LEU 157 ASN 158 PRO 159 LYS 160 TRP 161 SER 162 LYS 163 ARG 164 ARG 165 ILE 166 TYR 167 TYR 168 GLY 169 ARG 170 ASP 171 ARG 172 CYS 173 ALA 174 VAL 175 GLY 176 LEU 177 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nrd1 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $Nrd1 'recombinant technology' . Escherichia coli . pRSF-1 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 $Nrd1 0.85 mM 0.7 1 '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' TCEP 1 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nrd1 0.9 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nrd1 1.2 mM '[U-98% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_4D_HCCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCONH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 150 . mM pH 6.9 . pH pressure 1 . atm temperature 303 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 na 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' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HNCO' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '4D HCCONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Nrd1, chain 1' _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 1 ASN H H 8.238 0.04 1 2 1 1 ASN CA C 53.299 0.4 1 3 1 1 ASN CB C 38.917 0.4 1 4 1 1 ASN N N 120.228 0.4 1 5 2 2 ASN HA H 4.738 0.04 1 6 2 2 ASN HB2 H 2.738 0.04 2 7 2 2 ASN HB3 H 2.808 0.04 2 8 2 2 ASN C C 177.357 0.4 1 9 2 2 ASN CA C 53.338 0.4 1 10 2 2 ASN CB C 38.734 0.4 1 11 3 3 THR H H 8.124 0.04 1 12 3 3 THR HA H 4.353 0.04 1 13 3 3 THR HB H 4.219 0.04 1 14 3 3 THR HG2 H 1.14 0.04 1 15 3 3 THR C C 174.659 0.4 1 16 3 3 THR CA C 61.927 0.4 1 17 3 3 THR CB C 69.577 0.4 1 18 3 3 THR CG2 C 21.459 0.4 1 19 3 3 THR N N 115.966 0.4 1 20 4 4 THR H H 8.104 0.04 1 21 4 4 THR HA H 4.281 0.04 1 22 4 4 THR HB H 4.121 0.04 1 23 4 4 THR HG2 H 1.125 0.04 1 24 4 4 THR C C 174.113 0.4 1 25 4 4 THR CA C 61.928 0.4 1 26 4 4 THR CB C 69.597 0.4 1 27 4 4 THR CG2 C 21.614 0.4 1 28 4 4 THR N N 118.395 0.4 1 29 5 5 GLN H H 8.223 0.04 1 30 5 5 GLN HA H 4.583 0.04 1 31 5 5 GLN HB2 H 1.849 0.04 1 32 5 5 GLN HB3 H 2.025 0.04 1 33 5 5 GLN HG2 H 2.337 0.04 1 34 5 5 GLN HG3 H 2.307 0.04 1 35 5 5 GLN C C 173.479 0.4 1 36 5 5 GLN CA C 53.483 0.4 1 37 5 5 GLN CB C 28.963 0.4 1 38 5 5 GLN CG C 33.418 0.4 1 39 5 5 GLN N N 125.669 0.4 1 40 6 6 PRO HA H 4.246 0.04 1 41 6 6 PRO HB2 H 1.67 0.04 2 42 6 6 PRO HB3 H 2.143 0.04 2 43 6 6 PRO HG2 H 1.913 0.04 2 44 6 6 PRO HG3 H 1.938 0.04 2 45 6 6 PRO HD2 H 3.561 0.04 2 46 6 6 PRO HD3 H 3.724 0.04 2 47 6 6 PRO C C 176.302 0.4 1 48 6 6 PRO CA C 62.728 0.4 1 49 6 6 PRO CB C 32.162 0.4 1 50 6 6 PRO CG C 27.166 0.4 1 51 6 6 PRO CD C 50.467 0.4 1 52 7 7 VAL H H 8.005 0.04 1 53 7 7 VAL HA H 4.034 0.04 1 54 7 7 VAL HB H 1.752 0.04 1 55 7 7 VAL HG1 H 0.963 0.04 1 56 7 7 VAL HG2 H 0.815 0.04 1 57 7 7 VAL C C 175.444 0.4 1 58 7 7 VAL CA C 62.893 0.4 1 59 7 7 VAL CB C 32.287 0.4 1 60 7 7 VAL CG1 C 22.57 0.4 1 61 7 7 VAL CG2 C 21.183 0.4 1 62 7 7 VAL N N 123.909 0.4 1 63 8 8 LYS H H 8.726 0.04 1 64 8 8 LYS HA H 4.201 0.04 1 65 8 8 LYS HB2 H 1.586 0.04 2 66 8 8 LYS HB3 H 1.633 0.04 2 67 8 8 LYS HG2 H 1.332 0.04 2 68 8 8 LYS HG3 H 1.372 0.04 2 69 8 8 LYS HD2 H 1.525 0.04 2 70 8 8 LYS HD3 H 1.561 0.04 2 71 8 8 LYS HE2 H 2.955 0.04 2 72 8 8 LYS HE3 H 2.992 0.04 2 73 8 8 LYS C C 174.693 0.4 1 74 8 8 LYS CA C 55.934 0.4 1 75 8 8 LYS CB C 33.897 0.4 1 76 8 8 LYS CG C 24.652 0.4 1 77 8 8 LYS CD C 28.999 0.4 1 78 8 8 LYS CE C 41.988 0.4 1 79 8 8 LYS N N 122.985 0.4 1 80 9 9 THR H H 7.622 0.04 1 81 9 9 THR HA H 3.985 0.04 1 82 9 9 THR HB H 3.517 0.04 1 83 9 9 THR HG2 H 1.365 0.04 1 84 9 9 THR C C 173.731 0.4 1 85 9 9 THR CA C 62.038 0.4 1 86 9 9 THR CB C 71.073 0.4 1 87 9 9 THR CG2 C 21.906 0.4 1 88 9 9 THR N N 119.672 0.4 1 89 10 10 VAL H H 9.272 0.04 1 90 10 10 VAL HA H 4.897 0.04 1 91 10 10 VAL HB H 2.179 0.04 1 92 10 10 VAL HG1 H 0.802 0.04 1 93 10 10 VAL HG2 H 1.008 0.04 1 94 10 10 VAL C C 174.1 0.4 1 95 10 10 VAL CA C 59.57 0.4 1 96 10 10 VAL CB C 34.671 0.4 1 97 10 10 VAL CG1 C 21.817 0.4 1 98 10 10 VAL CG2 C 21.18 0.4 1 99 10 10 VAL N N 125.713 0.4 1 100 11 11 TYR H H 8.667 0.04 1 101 11 11 TYR HA H 5.217 0.04 1 102 11 11 TYR HB2 H 2.001 0.04 2 103 11 11 TYR HB3 H 2.261 0.04 2 104 11 11 TYR HD1 H 6.525 0.04 3 105 11 11 TYR HE1 H 7.164 0.04 3 106 11 11 TYR C C 173.05 0.4 1 107 11 11 TYR CA C 54.806 0.4 1 108 11 11 TYR CB C 41.424 0.4 1 109 11 11 TYR CD1 C 133.365 0.4 3 110 11 11 TYR N N 123.692 0.4 1 111 12 12 VAL H H 8.611 0.04 1 112 12 12 VAL HA H 4.553 0.04 1 113 12 12 VAL HB H 1.729 0.04 1 114 12 12 VAL HG1 H 0.721 0.04 1 115 12 12 VAL HG2 H 0.699 0.04 1 116 12 12 VAL C C 174.817 0.4 1 117 12 12 VAL CA C 60.645 0.4 1 118 12 12 VAL CB C 32.812 0.4 1 119 12 12 VAL CG1 C 21.844 0.4 1 120 12 12 VAL CG2 C 19.954 0.4 1 121 12 12 VAL N N 123.544 0.4 1 122 13 13 GLY H H 9.462 0.04 1 123 13 13 GLY HA2 H 3.683 0.04 2 124 13 13 GLY HA3 H 3.925 0.04 2 125 13 13 GLY C C 173.891 0.4 1 126 13 13 GLY CA C 43.273 0.4 1 127 13 13 GLY N N 114.643 0.4 1 128 14 14 ASN H H 9.114 0.04 1 129 14 14 ASN HA H 4.255 0.04 1 130 14 14 ASN HB2 H 2.692 0.04 2 131 14 14 ASN HB3 H 3.286 0.04 2 132 14 14 ASN C C 174.409 0.4 1 133 14 14 ASN CA C 53.85 0.4 1 134 14 14 ASN CB C 37.925 0.4 1 135 14 14 ASN N N 117.341 0.4 1 136 15 15 LEU H H 7.469 0.04 1 137 15 15 LEU C C 175.642 0.4 1 138 15 15 LEU CA C 53.32 0.4 1 139 15 15 LEU CB C 41.438 0.4 1 140 15 15 LEU N N 115.557 0.4 1 141 17 17 PRO HA H 4.248 0.04 1 142 17 17 PRO HB2 H 2.264 0.04 2 143 17 17 PRO HB3 H 1.784 0.04 2 144 17 17 PRO HG2 H 1.966 0.04 2 145 17 17 PRO HG3 H 2.014 0.04 2 146 17 17 PRO HD2 H 3.542 0.04 2 147 17 17 PRO HD3 H 3.742 0.04 2 148 17 17 PRO C C 176.358 0.4 1 149 17 17 PRO CA C 63.301 0.4 1 150 17 17 PRO CB C 32.071 0.4 1 151 17 17 PRO CG C 27.503 0.4 1 152 17 17 PRO CD C 50.487 0.4 1 153 18 18 ASN H H 8.904 0.04 1 154 18 18 ASN HA H 4.219 0.04 1 155 18 18 ASN HB2 H 2.855 0.04 2 156 18 18 ASN HB3 H 2.927 0.04 2 157 18 18 ASN C C 174.32 0.4 1 158 18 18 ASN CA C 54.182 0.4 1 159 18 18 ASN CB C 37.083 0.4 1 160 18 18 ASN N N 117.684 0.4 1 161 19 19 THR H H 7.605 0.04 1 162 19 19 THR HA H 4.182 0.04 1 163 19 19 THR HB H 3.714 0.04 1 164 19 19 THR HG2 H 0.977 0.04 1 165 19 19 THR C C 172.334 0.4 1 166 19 19 THR CA C 61.706 0.4 1 167 19 19 THR CB C 69.624 0.4 1 168 19 19 THR N N 119.21 0.4 1 169 20 20 PRO HA H 4.671 0.04 1 170 20 20 PRO HB2 H 2.355 0.04 2 171 20 20 PRO HB3 H 2.247 0.04 2 172 20 20 PRO HG2 H 2.011 0.04 2 173 20 20 PRO HG3 H 2.051 0.04 2 174 20 20 PRO HD2 H 4.022 0.04 2 175 20 20 PRO HD3 H 3.992 0.04 2 176 20 20 PRO C C 178.87 0.4 1 177 20 20 PRO CA C 61.377 0.4 1 178 20 20 PRO CB C 32.552 0.4 1 179 20 20 PRO CG C 27.708 0.4 1 180 20 20 PRO CD C 50.774 0.4 1 181 21 21 ILE H H 8.9 0.04 1 182 21 21 ILE HA H 3.884 0.04 1 183 21 21 ILE HB H 1.863 0.04 1 184 21 21 ILE HG12 H 1.302 0.04 2 185 21 21 ILE HG13 H 1.284 0.04 2 186 21 21 ILE HG2 H 1.103 0.04 1 187 21 21 ILE HD1 H 0.782 0.04 1 188 21 21 ILE C C 175.887 0.4 1 189 21 21 ILE CA C 62.159 0.4 1 190 21 21 ILE CB C 38.439 0.4 1 191 21 21 ILE CG1 C 29.535 0.4 1 192 21 21 ILE CG2 C 18.887 0.4 1 193 21 21 ILE CD1 C 14.066 0.4 1 194 21 21 ILE N N 122.147 0.4 1 195 22 22 ASP H H 8.634 0.04 1 196 22 22 ASP HA H 4.053 0.04 1 197 22 22 ASP HB2 H 2.304 0.04 2 198 22 22 ASP HB3 H 3.09 0.04 2 199 22 22 ASP C C 178.693 0.4 1 200 22 22 ASP CA C 56.195 0.4 1 201 22 22 ASP CB C 40.092 0.4 1 202 22 22 ASP N N 121.409 0.4 1 203 23 23 GLU H H 7.12 0.04 1 204 23 23 GLU HA H 4.053 0.04 1 205 23 23 GLU HB2 H 1.88 0.04 2 206 23 23 GLU HB3 H 1.944 0.04 2 207 23 23 GLU HG2 H 2.255 0.04 2 208 23 23 GLU HG3 H 2.138 0.04 2 209 23 23 GLU C C 178.45 0.4 1 210 23 23 GLU CA C 58.977 0.4 1 211 23 23 GLU CB C 29.799 0.4 1 212 23 23 GLU CG C 36.697 0.4 1 213 23 23 GLU N N 121.508 0.4 1 214 24 24 ILE H H 6.993 0.04 1 215 24 24 ILE HA H 3.645 0.04 1 216 24 24 ILE HB H 1.918 0.04 1 217 24 24 ILE HD1 H 0.609 0.04 1 218 24 24 ILE C C 178.192 0.4 1 219 24 24 ILE CA C 64.031 0.4 1 220 24 24 ILE CB C 37.67 0.4 1 221 24 24 ILE CD1 C 16.907 0.4 1 222 24 24 ILE N N 120.092 0.4 1 223 25 25 LEU H H 7.94 0.04 1 224 25 25 LEU C C 178.991 0.4 1 225 25 25 LEU CA C 57.6 0.4 1 226 25 25 LEU CB C 40.003 0.4 1 227 25 25 LEU CG C 27.383 0.4 1 228 25 25 LEU CD1 C 24.885 0.4 2 229 25 25 LEU CD2 C 25.164 0.4 2 230 25 25 LEU N N 119.366 0.4 1 231 26 26 SER H H 7.691 0.04 1 232 26 26 SER HA H 4.24 0.04 1 233 26 26 SER C C 174.222 0.4 1 234 26 26 SER CA C 61.097 0.4 1 235 26 26 SER CB C 63.413 0.4 1 236 26 26 SER N N 115.748 0.4 1 237 27 27 CYS H H 7.63 0.04 1 238 27 27 CYS HA H 4.34 0.04 1 239 27 27 CYS HB2 H 3.187 0.04 1 240 27 27 CYS HB3 H 3.023 0.04 1 241 27 27 CYS C C 174.346 0.4 1 242 27 27 CYS CA C 60.019 0.4 1 243 27 27 CYS CB C 27.754 0.4 1 244 27 27 CYS N N 118.453 0.4 1 245 28 28 VAL H H 7.724 0.04 1 246 28 28 VAL HA H 3.897 0.04 1 247 28 28 VAL HB H 2.575 0.04 1 248 28 28 VAL HG1 H 0.998 0.04 2 249 28 28 VAL HG2 H 0.256 0.04 2 250 28 28 VAL C C 175.786 0.4 1 251 28 28 VAL CA C 62.725 0.4 1 252 28 28 VAL CB C 31.803 0.4 1 253 28 28 VAL CG1 C 22.648 0.4 2 254 28 28 VAL CG2 C 19.748 0.4 2 255 28 28 VAL N N 124.625 0.4 1 256 29 29 ARG H H 8.82 0.04 1 257 29 29 ARG HD2 H 3.097 0.04 2 258 29 29 ARG HD3 H 3.164 0.04 2 259 29 29 ARG C C 178.105 0.4 1 260 29 29 ARG CA C 55.513 0.4 1 261 29 29 ARG CB C 31.839 0.4 1 262 29 29 ARG CD C 43.23 0.4 1 263 29 29 ARG N N 125.503 0.4 1 264 30 30 THR H H 7.082 0.04 1 265 30 30 THR HA H 4.587 0.04 1 266 30 30 THR HB H 4.068 0.04 1 267 30 30 THR HG2 H 1.186 0.04 1 268 30 30 THR C C 174.382 0.4 1 269 30 30 THR CA C 62.748 0.4 1 270 30 30 THR CB C 68.995 0.4 1 271 30 30 THR CG2 C 21.986 0.4 1 272 30 30 THR N N 109.641 0.4 1 273 31 31 GLY H H 7.792 0.04 1 274 31 31 GLY C C 179.342 0.4 1 275 31 31 GLY CA C 45.717 0.4 1 276 31 31 GLY N N 110.381 0.4 1 277 33 33 ILE HD1 H 0.162 0.4 1 278 33 33 ILE CD1 C 11.647 0.4 1 279 34 34 GLU HB2 H 1.756 0.04 2 280 34 34 GLU HB3 H 1.802 0.04 2 281 34 34 GLU HG2 H 2.073 0.04 2 282 34 34 GLU HG3 H 2.186 0.04 2 283 34 34 GLU C C 176.32 0.4 1 284 34 34 GLU CA C 58.451 0.4 1 285 34 34 GLU CB C 31.182 0.4 1 286 34 34 GLU CG C 36.224 0.4 1 287 35 35 SER H H 7.801 0.04 1 288 35 35 SER C C 171.729 0.4 1 289 35 35 SER CA C 57.553 0.4 1 290 35 35 SER CB C 65.959 0.4 1 291 35 35 SER N N 112.895 0.4 1 292 36 36 ALA H H 8.232 0.04 1 293 36 36 ALA HA H 5.509 0.04 1 294 36 36 ALA HB H 1.346 0.04 1 295 36 36 ALA C C 175.558 0.4 1 296 36 36 ALA CA C 51.1 0.4 1 297 36 36 ALA CB C 23.383 0.4 1 298 36 36 ALA N N 125.684 0.4 1 299 37 37 TRP H H 8.857 0.04 1 300 37 37 TRP HA H 5.041 0.04 1 301 37 37 TRP HB2 H 3.236 0.04 2 302 37 37 TRP HB3 H 3.606 0.04 2 303 37 37 TRP C C 172.415 0.4 1 304 37 37 TRP CA C 57.461 0.4 1 305 37 37 TRP CB C 31.361 0.4 1 306 37 37 TRP N N 120.664 0.4 1 307 38 38 ILE H H 8.81 0.04 1 308 38 38 ILE HA H 4.876 0.04 1 309 38 38 ILE HB H 1.621 0.04 1 310 38 38 ILE HG12 H 1.533 0.04 2 311 38 38 ILE HG13 H 1.581 0.04 2 312 38 38 ILE HG2 H 0.968 0.04 1 313 38 38 ILE HD1 H 0.794 0.04 1 314 38 38 ILE C C 173.675 0.4 1 315 38 38 ILE CA C 59.564 0.4 1 316 38 38 ILE CB C 42.608 0.4 1 317 38 38 ILE CG1 C 29.093 0.4 1 318 38 38 ILE CG2 C 15.906 0.4 1 319 38 38 ILE CD1 C 14.29 0.4 1 320 38 38 ILE N N 120.507 0.4 1 321 39 39 LEU H H 8.661 0.04 1 322 39 39 LEU HA H 5.213 0.04 1 323 39 39 LEU HD1 H 1.116 0.04 1 324 39 39 LEU HD2 H 1.122 0.04 1 325 39 39 LEU C C 175.161 0.4 1 326 39 39 LEU CA C 51.599 0.4 1 327 39 39 LEU CB C 42.446 0.4 1 328 39 39 LEU CD1 C 25.755 0.4 1 329 39 39 LEU CD2 C 24.586 0.4 1 330 39 39 LEU N N 129.117 0.4 1 331 40 40 PRO HA H 4.171 0.04 1 332 40 40 PRO HB2 H 2.461 0.04 2 333 40 40 PRO HB3 H 2.027 0.04 2 334 40 40 PRO HG2 H 2.078 0.04 2 335 40 40 PRO HG3 H 2.116 0.04 2 336 40 40 PRO HD2 H 3.934 0.04 2 337 40 40 PRO HD3 H 3.971 0.04 2 338 40 40 PRO C C 179.618 0.4 1 339 40 40 PRO CA C 65.584 0.4 1 340 40 40 PRO CB C 32.058 0.4 1 341 40 40 PRO CG C 27.53 0.4 1 342 40 40 PRO CD C 51.002 0.4 1 343 41 41 GLU H H 9.545 0.04 1 344 41 41 GLU HA H 4.179 0.04 1 345 41 41 GLU HB2 H 2.045 0.04 2 346 41 41 GLU HB3 H 2.084 0.04 2 347 41 41 GLU HG2 H 2.373 0.04 2 348 41 41 GLU HG3 H 2.253 0.04 2 349 41 41 GLU C C 177.081 0.4 1 350 41 41 GLU CA C 58.753 0.4 1 351 41 41 GLU CB C 28.562 0.4 1 352 41 41 GLU CG C 36.422 0.4 1 353 41 41 GLU N N 118.326 0.4 1 354 42 42 LYS H H 7.376 0.04 1 355 42 42 LYS HA H 4.552 0.04 1 356 42 42 LYS HB2 H 1.712 0.04 2 357 42 42 LYS HB3 H 2.162 0.04 2 358 42 42 LYS HG2 H 1.359 0.04 2 359 42 42 LYS HG3 H 1.401 0.04 2 360 42 42 LYS HD2 H 1.635 0.04 2 361 42 42 LYS HD3 H 1.696 0.04 2 362 42 42 LYS HE2 H 2.971 0.04 2 363 42 42 LYS HE3 H 2.942 0.04 2 364 42 42 LYS C C 175.358 0.4 1 365 42 42 LYS CA C 54.445 0.4 1 366 42 42 LYS CB C 33.74 0.4 1 367 42 42 LYS CG C 25.172 0.4 1 368 42 42 LYS CD C 28.703 0.4 1 369 42 42 LYS CE C 41.881 0.4 1 370 42 42 LYS N N 117.977 0.4 1 371 43 43 ASN H H 8.048 0.04 1 372 43 43 ASN HA H 4.319 0.04 1 373 43 43 ASN HB2 H 2.766 0.04 1 374 43 43 ASN HB3 H 3.186 0.04 1 375 43 43 ASN C C 173.195 0.4 1 376 43 43 ASN CA C 54.224 0.4 1 377 43 43 ASN CB C 37.18 0.4 1 378 43 43 ASN N N 118.789 0.4 1 379 44 44 CYS H H 7.219 0.04 1 380 44 44 CYS HA H 5.453 0.04 1 381 44 44 CYS HB2 H 2.514 0.04 2 382 44 44 CYS HB3 H 2.478 0.04 2 383 44 44 CYS C C 170.834 0.4 1 384 44 44 CYS CA C 56.084 0.4 1 385 44 44 CYS CB C 31.356 0.4 1 386 44 44 CYS N N 113.013 0.4 1 387 45 45 ALA H H 8.779 0.04 1 388 45 45 ALA HA H 4.979 0.04 1 389 45 45 ALA HB H 1.092 0.04 1 390 45 45 ALA C C 174.044 0.4 1 391 45 45 ALA CA C 49.698 0.4 1 392 45 45 ALA CB C 22.713 0.4 1 393 45 45 ALA N N 126.733 0.4 1 394 46 46 PHE H H 8.602 0.04 1 395 46 46 PHE HA H 4.76 0.04 1 396 46 46 PHE HB2 H 3.691 0.04 2 397 46 46 PHE HB3 H 3.79 0.04 2 398 46 46 PHE C C 174.106 0.4 1 399 46 46 PHE CA C 56.776 0.4 1 400 46 46 PHE CB C 41.041 0.4 1 401 46 46 PHE N N 120.318 0.4 1 402 47 47 ILE H H 8.724 0.04 1 403 47 47 ILE HA H 4.171 0.04 1 404 47 47 ILE HB H 1.543 0.04 1 405 47 47 ILE HG2 H 0.108 0.04 1 406 47 47 ILE HD1 H 0.313 0.04 1 407 47 47 ILE C C 174.156 0.4 1 408 47 47 ILE CA C 60.911 0.4 1 409 47 47 ILE CB C 40.896 0.4 1 410 47 47 ILE CG2 C 19.773 0.4 1 411 47 47 ILE CD1 C 14.195 0.4 1 412 47 47 ILE N N 121.015 0.4 1 413 48 48 SER H H 9.428 0.04 1 414 48 48 SER C C 174.089 0.4 1 415 48 48 SER CA C 60.747 0.4 1 416 48 48 SER CB C 63.989 0.4 1 417 48 48 SER N N 124.451 0.4 1 418 49 49 PHE HD1 H 7.01 0.04 3 419 49 49 PHE HE1 H 6.679 0.04 3 420 49 49 PHE CE1 C 128.554 0.4 3 421 52 52 PRO HA H 4.263 0.04 1 422 52 52 PRO HB2 H 2.047 0.04 2 423 52 52 PRO HB3 H 2.162 0.04 2 424 52 52 PRO HG2 H 1.921 0.04 2 425 52 52 PRO HG3 H 2.108 0.04 2 426 52 52 PRO HD2 H 3.752 0.04 2 427 52 52 PRO HD3 H 3.951 0.04 2 428 52 52 PRO C C 178.551 0.4 1 429 52 52 PRO CA C 65.203 0.4 1 430 52 52 PRO CB C 32.285 0.4 1 431 52 52 PRO CG C 27.05 0.4 1 432 52 52 PRO CD C 51.344 0.4 1 433 53 53 SER H H 9.084 0.04 1 434 53 53 SER HA H 4.289 0.04 1 435 53 53 SER C C 177.569 0.4 1 436 53 53 SER CA C 61.631 0.4 1 437 53 53 SER CB C 62.571 0.4 1 438 53 53 SER N N 117.404 0.4 1 439 54 54 HIS H H 7.581 0.04 1 440 54 54 HIS HA H 4.501 0.04 1 441 54 54 HIS HB2 H 3.515 0.04 1 442 54 54 HIS HB3 H 2.903 0.04 1 443 54 54 HIS C C 178.108 0.4 1 444 54 54 HIS CA C 56.454 0.4 1 445 54 54 HIS CB C 31.473 0.4 1 446 54 54 HIS N N 127.366 0.4 1 447 55 55 ALA H H 6.992 0.04 1 448 55 55 ALA HA H 2.94 0.04 1 449 55 55 ALA HB H 1.625 0.04 1 450 55 55 ALA C C 178.803 0.4 1 451 55 55 ALA CA C 54.5 0.4 1 452 55 55 ALA CB C 18.476 0.4 1 453 55 55 ALA N N 126.131 0.4 1 454 56 56 THR H H 8.281 0.04 1 455 56 56 THR HA H 4.081 0.04 1 456 56 56 THR HB H 4.283 0.04 1 457 56 56 THR HG2 H 1.341 0.04 1 458 56 56 THR C C 175.883 0.4 1 459 56 56 THR CA C 67.492 0.4 1 460 56 56 THR CB C 68.673 0.4 1 461 56 56 THR CG2 C 22.008 0.4 1 462 56 56 THR N N 116.689 0.4 1 463 57 57 ALA H H 7.737 0.04 1 464 57 57 ALA HA H 4.185 0.04 1 465 57 57 ALA HB H 1.593 0.04 1 466 57 57 ALA C C 179.89 0.4 1 467 57 57 ALA CA C 55.346 0.4 1 468 57 57 ALA CB C 18.163 0.4 1 469 57 57 ALA N N 124.002 0.4 1 470 58 58 PHE H H 7.548 0.04 1 471 58 58 PHE HA H 4.261 0.04 1 472 58 58 PHE HB2 H 3.673 0.04 2 473 58 58 PHE HB3 H 2.809 0.04 2 474 58 58 PHE HD1 H 7.42 0.04 3 475 58 58 PHE HE1 H 6.995 0.04 3 476 58 58 PHE C C 175.605 0.4 1 477 58 58 PHE CA C 61.182 0.4 1 478 58 58 PHE CB C 39.062 0.4 1 479 58 58 PHE CD1 C 132.085 0.4 3 480 58 58 PHE N N 121.325 0.4 1 481 59 59 PHE H H 8.438 0.04 1 482 59 59 PHE HA H 3.252 0.04 1 483 59 59 PHE HB2 H 2.362 0.04 2 484 59 59 PHE HB3 H 3.145 0.04 2 485 59 59 PHE HD1 H 6.391 0.04 3 486 59 59 PHE HE1 H 6.848 0.04 3 487 59 59 PHE C C 177.56 0.4 1 488 59 59 PHE CA C 61.493 0.4 1 489 59 59 PHE CB C 39.789 0.4 1 490 59 59 PHE CD1 C 130.983 0.4 3 491 59 59 PHE CE1 C 130.994 0.4 3 492 59 59 PHE N N 122.142 0.4 1 493 60 60 GLN H H 8.637 0.04 1 494 60 60 GLN HA H 3.92 0.04 1 495 60 60 GLN HB2 H 2.072 0.04 2 496 60 60 GLN HB3 H 2.193 0.04 2 497 60 60 GLN HG2 H 2.512 0.04 2 498 60 60 GLN HG3 H 2.682 0.04 2 499 60 60 GLN C C 178.376 0.4 1 500 60 60 GLN CA C 58.557 0.4 1 501 60 60 GLN CB C 28.411 0.4 1 502 60 60 GLN CG C 34.262 0.4 1 503 60 60 GLN N N 118.026 0.4 1 504 61 61 ASP H H 7.919 0.04 1 505 61 61 ASP HA H 4.317 0.04 1 506 61 61 ASP HB2 H 2.547 0.04 1 507 61 61 ASP HB3 H 2.739 0.04 1 508 61 61 ASP C C 177.731 0.4 1 509 61 61 ASP CA C 57.544 0.4 1 510 61 61 ASP CB C 41.802 0.4 1 511 61 61 ASP N N 122.515 0.4 1 512 62 62 ALA H H 8.105 0.04 1 513 62 62 ALA HA H 3.738 0.04 1 514 62 62 ALA HB H 0.739 0.04 1 515 62 62 ALA C C 179.539 0.4 1 516 62 62 ALA CA C 54.465 0.4 1 517 62 62 ALA CB C 17.907 0.4 1 518 62 62 ALA N N 121.666 0.4 1 519 63 63 ALA H H 7.462 0.04 1 520 63 63 ALA HA H 3.935 0.04 1 521 63 63 ALA HB H 1.172 0.04 1 522 63 63 ALA C C 180.067 0.4 1 523 63 63 ALA CA C 54.07 0.4 1 524 63 63 ALA CB C 17.924 0.4 1 525 63 63 ALA N N 120.669 0.4 1 526 64 64 LEU H H 7.745 0.04 1 527 64 64 LEU HA H 4.092 0.04 1 528 64 64 LEU HB2 H 1.758 0.04 1 529 64 64 LEU HB3 H 1.618 0.04 1 530 64 64 LEU HG H 1.636 0.04 1 531 64 64 LEU HD1 H 0.879 0.04 1 532 64 64 LEU HD2 H 0.847 0.04 1 533 64 64 LEU C C 178.804 0.4 1 534 64 64 LEU CA C 57.279 0.4 1 535 64 64 LEU CB C 42.387 0.4 1 536 64 64 LEU CG C 26.886 0.4 1 537 64 64 LEU CD1 C 24.109 0.4 1 538 64 64 LEU CD2 C 23.832 0.4 1 539 64 64 LEU N N 120.524 0.4 1 540 65 65 LYS H H 7.949 0.04 1 541 65 65 LYS HA H 4.132 0.04 1 542 65 65 LYS HB2 H 1.703 0.04 2 543 65 65 LYS HB3 H 1.754 0.04 2 544 65 65 LYS HG2 H 1.348 0.04 2 545 65 65 LYS HG3 H 1.384 0.04 2 546 65 65 LYS HD2 H 1.571 0.04 2 547 65 65 LYS HD3 H 1.544 0.04 2 548 65 65 LYS HE2 H 2.876 0.04 2 549 65 65 LYS HE3 H 2.91 0.04 2 550 65 65 LYS C C 175.988 0.4 1 551 65 65 LYS CA C 56.099 0.4 1 552 65 65 LYS CB C 32.652 0.4 1 553 65 65 LYS CG C 25.044 0.4 1 554 65 65 LYS CD C 28.907 0.4 1 555 65 65 LYS CE C 41.917 0.4 1 556 65 65 LYS N N 118.334 0.4 1 557 66 66 ARG H H 7.482 0.04 1 558 66 66 ARG HA H 3.846 0.04 1 559 66 66 ARG HB2 H 1.91 0.04 1 560 66 66 ARG HB3 H 1.683 0.04 1 561 66 66 ARG HG2 H 1.518 0.04 2 562 66 66 ARG HG3 H 1.452 0.04 2 563 66 66 ARG HD2 H 3.105 0.04 2 564 66 66 ARG HD3 H 3.15 0.04 2 565 66 66 ARG C C 174.765 0.4 1 566 66 66 ARG CA C 56.82 0.4 1 567 66 66 ARG CB C 27.41 0.4 1 568 66 66 ARG CG C 25.223 0.4 1 569 66 66 ARG CD C 43.326 0.4 1 570 66 66 ARG N N 119.113 0.4 1 571 67 67 LEU H H 7.62 0.04 1 572 67 67 LEU HA H 4.065 0.04 1 573 67 67 LEU HB2 H 1.447 0.04 2 574 67 67 LEU HB3 H 1.266 0.04 2 575 67 67 LEU HG H 1.329 0.04 1 576 67 67 LEU HD1 H 0.968 0.04 1 577 67 67 LEU HD2 H 0.745 0.04 1 578 67 67 LEU C C 175.479 0.4 1 579 67 67 LEU CA C 56.254 0.4 1 580 67 67 LEU CB C 42.88 0.4 1 581 67 67 LEU CG C 27.007 0.4 1 582 67 67 LEU CD1 C 23.431 0.4 1 583 67 67 LEU CD2 C 25.148 0.4 1 584 67 67 LEU N N 122.848 0.4 1 585 68 68 THR H H 8.094 0.04 1 586 68 68 THR HA H 5.137 0.04 1 587 68 68 THR HB H 3.64 0.04 1 588 68 68 THR HG2 H 0.971 0.04 1 589 68 68 THR C C 173.316 0.4 1 590 68 68 THR CA C 59.248 0.4 1 591 68 68 THR CB C 72.05 0.4 1 592 68 68 THR CG2 C 20.717 0.4 1 593 68 68 THR N N 119.932 0.4 1 594 69 69 ILE H H 8.518 0.04 1 595 69 69 ILE HA H 4.13 0.04 1 596 69 69 ILE HB H 1.407 0.04 1 597 69 69 ILE HG12 H 1.351 0.04 2 598 69 69 ILE HG13 H 1.299 0.04 2 599 69 69 ILE HG2 H 0.728 0.04 1 600 69 69 ILE HD1 H 0.708 0.04 1 601 69 69 ILE C C 175.017 0.4 1 602 69 69 ILE CA C 60.093 0.4 1 603 69 69 ILE CB C 40.296 0.4 1 604 69 69 ILE CG2 C 16.828 0.4 1 605 69 69 ILE CD1 C 13.634 0.4 1 606 69 69 ILE N N 123.76 0.4 1 607 70 70 ARG H H 9.296 0.04 1 608 70 70 ARG HA H 3.817 0.04 1 609 70 70 ARG HB2 H 1.674 0.04 1 610 70 70 ARG HB3 H 1.982 0.04 1 611 70 70 ARG HG2 H 1.544 0.04 2 612 70 70 ARG HG3 H 1.587 0.04 2 613 70 70 ARG HD2 H 3.176 0.04 2 614 70 70 ARG HD3 H 3.056 0.04 2 615 70 70 ARG C C 176.837 0.4 1 616 70 70 ARG CA C 57.273 0.4 1 617 70 70 ARG CB C 28.167 0.4 1 618 70 70 ARG CG C 27.949 0.4 1 619 70 70 ARG CD C 43.943 0.4 1 620 70 70 ARG N N 126.918 0.4 1 621 71 71 GLY H H 8.54 0.04 1 622 71 71 GLY HA2 H 4.155 0.04 2 623 71 71 GLY HA3 H 3.526 0.04 2 624 71 71 GLY C C 174.022 0.4 1 625 71 71 GLY CA C 45.346 0.4 1 626 71 71 GLY N N 110.159 0.4 1 627 72 72 THR H H 7.948 0.04 1 628 72 72 THR HA H 4.377 0.04 1 629 72 72 THR HB H 4.019 0.04 1 630 72 72 THR HG2 H 1.151 0.04 1 631 72 72 THR C C 172.805 0.4 1 632 72 72 THR CA C 62.139 0.4 1 633 72 72 THR CB C 70.941 0.4 1 634 72 72 THR CG2 C 21.333 0.4 1 635 72 72 THR N N 120.753 0.4 1 636 73 73 GLU H H 8.856 0.04 1 637 73 73 GLU HA H 4.385 0.04 1 638 73 73 GLU HB2 H 1.931 0.04 2 639 73 73 GLU HB3 H 1.881 0.04 2 640 73 73 GLU HG2 H 2.097 0.04 2 641 73 73 GLU HG3 H 2.162 0.04 2 642 73 73 GLU C C 175.778 0.4 1 643 73 73 GLU CA C 56.971 0.4 1 644 73 73 GLU CB C 29.343 0.4 1 645 73 73 GLU CG C 36.55 0.4 1 646 73 73 GLU N N 130.375 0.4 1 647 74 74 VAL H H 7.508 0.04 1 648 74 74 VAL HA H 4.478 0.04 1 649 74 74 VAL HB H 2.49 0.04 1 650 74 74 VAL HG1 H 0.822 0.04 1 651 74 74 VAL HG2 H 0.549 0.04 1 652 74 74 VAL C C 174.487 0.4 1 653 74 74 VAL CA C 60.153 0.4 1 654 74 74 VAL CB C 31.688 0.4 1 655 74 74 VAL CG1 C 22.171 0.4 1 656 74 74 VAL CG2 C 17.905 0.4 1 657 74 74 VAL N N 121.987 0.4 1 658 75 75 LYS H H 7.761 0.04 1 659 75 75 LYS HA H 4.549 0.04 1 660 75 75 LYS HB2 H 1.603 0.04 2 661 75 75 LYS HB3 H 1.537 0.04 2 662 75 75 LYS HG2 H 1.34 0.04 2 663 75 75 LYS HG3 H 1.26 0.04 2 664 75 75 LYS HD2 H 1.643 0.04 2 665 75 75 LYS HD3 H 1.688 0.04 2 666 75 75 LYS HE2 H 2.93 0.04 2 667 75 75 LYS HE3 H 2.963 0.04 2 668 75 75 LYS C C 174.491 0.4 1 669 75 75 LYS CA C 54.394 0.4 1 670 75 75 LYS CB C 34.638 0.4 1 671 75 75 LYS CG C 24.773 0.4 1 672 75 75 LYS CD C 28.896 0.4 1 673 75 75 LYS CE C 42.04 0.4 1 674 75 75 LYS N N 123.053 0.4 1 675 76 76 VAL H H 8.32 0.04 1 676 76 76 VAL HA H 4.935 0.04 1 677 76 76 VAL HB H 1.501 0.04 1 678 76 76 VAL HG1 H 0.441 0.04 1 679 76 76 VAL HG2 H 0.515 0.04 1 680 76 76 VAL C C 175.401 0.4 1 681 76 76 VAL CA C 60.023 0.4 1 682 76 76 VAL CB C 32.757 0.4 1 683 76 76 VAL CG1 C 21.293 0.4 1 684 76 76 VAL CG2 C 21.375 0.4 1 685 76 76 VAL N N 126.173 0.4 1 686 77 77 GLY H H 7.731 0.04 1 687 77 77 GLY HA2 H 4.259 0.04 2 688 77 77 GLY HA3 H 3.27 0.04 2 689 77 77 GLY C C 171.374 0.4 1 690 77 77 GLY CA C 44.083 0.4 1 691 77 77 GLY N N 115.002 0.4 1 692 78 78 TRP H H 8.572 0.04 1 693 78 78 TRP HA H 5.074 0.04 1 694 78 78 TRP HB2 H 3.051 0.04 1 695 78 78 TRP HB3 H 3.363 0.04 1 696 78 78 TRP HD1 H 6.984 0.04 1 697 78 78 TRP C C 177.81 0.4 1 698 78 78 TRP CA C 56.989 0.4 1 699 78 78 TRP CB C 31.176 0.4 1 700 78 78 TRP CD1 C 126.717 0.4 1 701 78 78 TRP N N 121.724 0.4 1 702 79 79 GLY H H 8.956 0.04 1 703 79 79 GLY C C 171.579 0.4 1 704 79 79 GLY CA C 43.555 0.4 1 705 79 79 GLY N N 112.656 0.4 1 706 80 80 LYS H H 8.213 0.04 1 707 80 80 LYS HE2 H 3.06 0.04 2 708 80 80 LYS HE3 H 3.126 0.04 2 709 80 80 LYS C C 176.936 0.4 1 710 80 80 LYS CA C 54.638 0.4 1 711 80 80 LYS CB C 32.036 0.4 1 712 80 80 LYS CE C 43.299 0.4 1 713 80 80 LYS N N 121.536 0.4 1 714 81 81 ASN H H 9.312 0.04 1 715 81 81 ASN CA C 50.383 0.4 1 716 81 81 ASN N N 130.475 0.4 1 717 82 82 SER HA H 4.499 0.04 1 718 82 82 SER C C 173.658 0.4 1 719 82 82 SER CA C 57.515 0.4 1 720 82 82 SER CB C 64.383 0.4 1 721 83 83 ALA H H 8.379 0.04 1 722 83 83 ALA HA H 4.328 0.04 1 723 83 83 ALA HB H 1.336 0.04 1 724 83 83 ALA C C 177.964 0.4 1 725 83 83 ALA CA C 52.368 0.4 1 726 83 83 ALA CB C 19.102 0.4 1 727 83 83 ALA N N 127.338 0.4 1 728 84 84 SER H H 8.478 0.04 1 729 84 84 SER CB C 64.034 0.4 1 730 84 84 SER N N 119.546 0.4 1 731 89 89 LEU HA H 3.905 0.04 1 732 89 89 LEU HB2 H 1.533 0.04 2 733 89 89 LEU HB3 H 1.715 0.04 2 734 89 89 LEU HG H 1.643 0.04 1 735 89 89 LEU HD1 H 0.881 0.04 2 736 89 89 LEU HD2 H 0.837 0.04 2 737 89 89 LEU CA C 57.831 0.4 1 738 89 89 LEU CB C 40.88 0.4 1 739 89 89 LEU CG C 27.117 0.4 1 740 89 89 LEU CD1 C 24.563 0.4 2 741 89 89 LEU CD2 C 22.793 0.4 2 742 90 90 LEU H H 7.922 0.04 1 743 90 90 LEU HA H 4.134 0.04 1 744 90 90 LEU HB2 H 1.618 0.04 2 745 90 90 LEU HB3 H 1.668 0.04 2 746 90 90 LEU HG H 1.6 0.04 1 747 90 90 LEU HD1 H 0.858 0.04 1 748 90 90 LEU HD2 H 0.855 0.04 1 749 90 90 LEU C C 178.269 0.4 1 750 90 90 LEU CA C 57.805 0.4 1 751 90 90 LEU CB C 41.639 0.4 1 752 90 90 LEU CG C 27.064 0.4 1 753 90 90 LEU CD1 C 24.192 0.4 1 754 90 90 LEU CD2 C 24.004 0.4 1 755 90 90 LEU N N 124.628 0.4 1 756 91 91 ALA H H 7.478 0.04 1 757 91 91 ALA HA H 4.226 0.04 1 758 91 91 ALA HB H 1.387 0.04 1 759 91 91 ALA C C 181.584 0.4 1 760 91 91 ALA CA C 54.951 0.4 1 761 91 91 ALA CB C 17.758 0.4 1 762 91 91 ALA N N 123.543 0.4 1 763 92 92 VAL H H 8.338 0.04 1 764 92 92 VAL CA C 68.644 0.4 1 765 92 92 VAL CB C 31.634 0.4 1 766 92 92 VAL N N 123.023 0.4 1 767 93 93 GLN HG2 H 2.444 0.04 2 768 93 93 GLN HG3 H 2.308 0.04 2 769 93 93 GLN C C 178.185 0.4 1 770 93 93 GLN CA C 58.86 0.4 1 771 93 93 GLN CB C 29.28 0.4 1 772 93 93 GLN CG C 33.816 0.4 1 773 94 94 GLN H H 8.865 0.04 1 774 94 94 GLN C C 178.054 0.4 1 775 94 94 GLN CA C 58.061 0.4 1 776 94 94 GLN CB C 29.662 0.4 1 777 94 94 GLN N N 116.606 0.4 1 778 95 95 SER HA H 4.899 0.04 1 779 95 95 SER C C 174.3 0.4 1 780 95 95 SER CA C 57.866 0.4 1 781 95 95 SER CB C 65.218 0.4 1 782 96 96 GLY H H 7.576 0.04 1 783 96 96 GLY HA2 H 3.794 0.04 2 784 96 96 GLY HA3 H 3.901 0.04 2 785 96 96 GLY C C 173.691 0.4 1 786 96 96 GLY CA C 46.567 0.4 1 787 96 96 GLY N N 111.769 0.4 1 788 97 97 ALA H H 6.754 0.04 1 789 97 97 ALA HA H 4.175 0.04 1 790 97 97 ALA HB H 1.272 0.04 1 791 97 97 ALA C C 177.394 0.4 1 792 97 97 ALA CA C 52.415 0.4 1 793 97 97 ALA CB C 19.089 0.4 1 794 97 97 ALA N N 121.208 0.4 1 795 98 98 CYS H H 7.769 0.04 1 796 98 98 CYS C C 176.369 0.4 1 797 98 98 CYS CA C 62.274 0.4 1 798 98 98 CYS CB C 32.508 0.4 1 799 98 98 CYS N N 119.638 0.4 1 800 100 100 ASN C C 174.062 0.4 1 801 100 100 ASN CA C 51.453 0.4 1 802 100 100 ASN CB C 38.812 0.4 1 803 101 101 VAL H H 9.159 0.04 1 804 101 101 VAL HA H 4.279 0.04 1 805 101 101 VAL HB H 1.991 0.04 1 806 101 101 VAL HG1 H 0.722 0.04 1 807 101 101 VAL HG2 H 1.105 0.04 1 808 101 101 VAL C C 173.586 0.4 1 809 101 101 VAL CA C 61.9 0.4 1 810 101 101 VAL CB C 33.802 0.4 1 811 101 101 VAL CG1 C 21.991 0.4 1 812 101 101 VAL CG2 C 22.715 0.4 1 813 101 101 VAL N N 130.182 0.4 1 814 102 102 PHE H H 8.912 0.04 1 815 102 102 PHE HA H 4.47 0.04 1 816 102 102 PHE HB2 H 2.538 0.04 2 817 102 102 PHE HB3 H 2.317 0.04 2 818 102 102 PHE HD1 H 6.576 0.04 3 819 102 102 PHE HE1 H 6.912 0.04 3 820 102 102 PHE C C 172.559 0.4 1 821 102 102 PHE CA C 56.624 0.4 1 822 102 102 PHE CB C 40.455 0.4 1 823 102 102 PHE CD1 C 132.115 0.4 3 824 102 102 PHE N N 129.382 0.4 1 825 103 103 LEU H H 8.144 0.04 1 826 103 103 LEU HA H 4.984 0.04 1 827 103 103 LEU HD1 H 0.768 0.04 1 828 103 103 LEU HD2 H 0.694 0.04 1 829 103 103 LEU C C 174.667 0.4 1 830 103 103 LEU CA C 51.944 0.4 1 831 103 103 LEU CB C 44.368 0.4 1 832 103 103 LEU CD1 C 26.928 0.4 1 833 103 103 LEU CD2 C 24.413 0.4 1 834 103 103 LEU N N 127.289 0.4 1 835 104 104 GLY H H 9.117 0.04 1 836 104 104 GLY HA2 H 3.488 0.04 2 837 104 104 GLY HA3 H 4.784 0.04 2 838 104 104 GLY C C 173.599 0.4 1 839 104 104 GLY CA C 43.472 0.4 1 840 104 104 GLY N N 108.936 0.4 1 841 105 105 ASN H H 8.702 0.04 1 842 105 105 ASN HA H 4.326 0.04 1 843 105 105 ASN HB2 H 2.791 0.04 2 844 105 105 ASN HB3 H 3.228 0.04 2 845 105 105 ASN C C 174.58 0.4 1 846 105 105 ASN CA C 53.862 0.4 1 847 105 105 ASN CB C 37.269 0.4 1 848 105 105 ASN N N 116.617 0.4 1 849 106 106 LEU H H 7.768 0.04 1 850 106 106 LEU HA H 3.983 0.04 1 851 106 106 LEU HD2 H 0.598 0.04 2 852 106 106 LEU C C 174.475 0.4 1 853 106 106 LEU CA C 52.789 0.4 1 854 106 106 LEU CB C 40.01 0.4 1 855 106 106 LEU CD2 C 22.352 0.4 2 856 106 106 LEU N N 116.767 0.4 1 857 107 107 PRO HA H 4.336 0.04 1 858 107 107 PRO HB2 H 1.714 0.04 2 859 107 107 PRO HB3 H 2.134 0.04 2 860 107 107 PRO HG2 H 1.788 0.04 2 861 107 107 PRO HG3 H 1.829 0.04 2 862 107 107 PRO HD2 H 3.307 0.04 2 863 107 107 PRO HD3 H 3.101 0.04 2 864 107 107 PRO C C 177.166 0.4 1 865 107 107 PRO CA C 61.998 0.4 1 866 107 107 PRO CB C 31.634 0.4 1 867 107 107 PRO CG C 27.8 0.4 1 868 107 107 PRO CD C 49.524 0.4 1 869 108 108 ASN H H 8.547 0.04 1 870 108 108 ASN HA H 4.342 0.04 1 871 108 108 ASN HB2 H 2.665 0.04 2 872 108 108 ASN HB3 H 2.639 0.04 2 873 108 108 ASN C C 176.981 0.4 1 874 108 108 ASN CA C 54.605 0.4 1 875 108 108 ASN CB C 38.061 0.4 1 876 108 108 ASN N N 122.375 0.4 1 877 109 109 GLY H H 8.741 0.04 1 878 109 109 GLY HA2 H 3.957 0.04 2 879 109 109 GLY HA3 H 3.702 0.04 2 880 109 109 GLY C C 174.303 0.4 1 881 109 109 GLY CA C 45.403 0.4 1 882 109 109 GLY N N 113.196 0.4 1 883 110 110 ILE H H 6.89 0.04 1 884 110 110 ILE HA H 4.215 0.04 1 885 110 110 ILE HB H 1.646 0.04 1 886 110 110 ILE HG12 H 1.295 0.04 2 887 110 110 ILE HG13 H 1.324 0.04 2 888 110 110 ILE HG2 H 0.735 0.04 1 889 110 110 ILE HD1 H 0.732 0.04 1 890 110 110 ILE C C 173.233 0.4 1 891 110 110 ILE CA C 61.426 0.4 1 892 110 110 ILE CB C 38.327 0.4 1 893 110 110 ILE CG1 C 29.751 0.4 1 894 110 110 ILE CG2 C 16.622 0.4 1 895 110 110 ILE CD1 C 14.67 0.4 1 896 110 110 ILE N N 122.658 0.4 1 897 111 111 THR H H 7.742 0.04 1 898 111 111 THR HA H 4.685 0.04 1 899 111 111 THR HB H 4.613 0.04 1 900 111 111 THR HG2 H 1.285 0.04 1 901 111 111 THR C C 175.523 0.4 1 902 111 111 THR CA C 60.023 0.4 1 903 111 111 THR CB C 72.745 0.4 1 904 111 111 THR CG2 C 21.556 0.4 1 905 111 111 THR N N 116.74 0.4 1 906 112 112 GLU H H 9.144 0.04 1 907 112 112 GLU HA H 3.664 0.04 1 908 112 112 GLU HB2 H 1.974 0.04 2 909 112 112 GLU HB3 H 2.099 0.04 2 910 112 112 GLU HG2 H 2.216 0.04 2 911 112 112 GLU HG3 H 2.16 0.04 2 912 112 112 GLU C C 178.085 0.4 1 913 112 112 GLU CA C 60.535 0.4 1 914 112 112 GLU CB C 29.215 0.4 1 915 112 112 GLU CG C 37.105 0.4 1 916 112 112 GLU N N 123.225 0.4 1 917 113 113 ASP H H 8.31 0.04 1 918 113 113 ASP HA H 4.293 0.04 1 919 113 113 ASP HB2 H 2.514 0.04 1 920 113 113 ASP HB3 H 2.627 0.04 1 921 113 113 ASP C C 178.328 0.4 1 922 113 113 ASP CA C 57.499 0.4 1 923 113 113 ASP CB C 40.29 0.4 1 924 113 113 ASP N N 118.857 0.4 1 925 114 114 GLU H H 7.564 0.04 1 926 114 114 GLU HA H 4.044 0.04 1 927 114 114 GLU HB2 H 2.22 0.04 1 928 114 114 GLU HB3 H 1.897 0.04 1 929 114 114 GLU HG2 H 2.284 0.04 2 930 114 114 GLU HG3 H 2.24 0.04 2 931 114 114 GLU C C 179.298 0.4 1 932 114 114 GLU CA C 59.152 0.4 1 933 114 114 GLU CB C 29.864 0.4 1 934 114 114 GLU CG C 37.031 0.4 1 935 114 114 GLU N N 122.099 0.4 1 936 115 115 ILE H H 7.562 0.04 1 937 115 115 ILE HA H 3.777 0.04 1 938 115 115 ILE HB H 1.917 0.04 1 939 115 115 ILE HG12 H 0.986 0.04 2 940 115 115 ILE HG13 H 0.936 0.04 2 941 115 115 ILE HG2 H 0.736 0.04 1 942 115 115 ILE HD1 H 0.622 0.04 1 943 115 115 ILE C C 177.572 0.4 1 944 115 115 ILE CA C 65.535 0.4 1 945 115 115 ILE CB C 37.715 0.4 1 946 115 115 ILE CG1 C 29.021 0.4 1 947 115 115 ILE CG2 C 18.138 0.4 1 948 115 115 ILE CD1 C 13.189 0.4 1 949 115 115 ILE N N 120.716 0.4 1 950 116 116 ARG H H 8.89 0.04 1 951 116 116 ARG HA H 3.562 0.04 1 952 116 116 ARG HB2 H 1.882 0.04 2 953 116 116 ARG HB3 H 1.831 0.04 2 954 116 116 ARG HG2 H 1.437 0.04 2 955 116 116 ARG HG3 H 1.578 0.04 2 956 116 116 ARG HD2 H 3.333 0.04 2 957 116 116 ARG HD3 H 3.124 0.04 2 958 116 116 ARG C C 177.54 0.4 1 959 116 116 ARG CA C 61.224 0.4 1 960 116 116 ARG CB C 29.943 0.4 1 961 116 116 ARG CG C 29.694 0.4 1 962 116 116 ARG CD C 42.703 0.4 1 963 116 116 ARG N N 121.272 0.4 1 964 117 117 GLU H H 7.819 0.04 1 965 117 117 GLU HA H 3.959 0.04 1 966 117 117 GLU HB2 H 2.01 0.04 2 967 117 117 GLU HB3 H 2.047 0.04 2 968 117 117 GLU HG2 H 2.325 0.04 2 969 117 117 GLU HG3 H 2.269 0.04 2 970 117 117 GLU C C 177.81 0.4 1 971 117 117 GLU CA C 59.427 0.4 1 972 117 117 GLU CB C 29.715 0.4 1 973 117 117 GLU CG C 36.084 0.4 1 974 117 117 GLU N N 118.143 0.4 1 975 118 118 ASP H H 7.015 0.04 1 976 118 118 ASP HA H 4.821 0.04 1 977 118 118 ASP HB2 H 2.637 0.04 2 978 118 118 ASP HB3 H 2.71 0.04 2 979 118 118 ASP C C 176.089 0.4 1 980 118 118 ASP CA C 54.952 0.4 1 981 118 118 ASP CB C 41.33 0.4 1 982 118 118 ASP N N 115.752 0.4 1 983 119 119 LEU H H 8.181 0.04 1 984 119 119 LEU HA H 4.91 0.04 1 985 119 119 LEU HB2 H 1.795 0.04 2 986 119 119 LEU HB3 H 1.872 0.04 2 987 119 119 LEU HG H 1.754 0.04 1 988 119 119 LEU HD1 H 0.873 0.04 1 989 119 119 LEU HD2 H 0.668 0.04 1 990 119 119 LEU C C 177.073 0.4 1 991 119 119 LEU CA C 54.705 0.4 1 992 119 119 LEU CB C 40.013 0.4 1 993 119 119 LEU CG C 30.634 0.4 1 994 119 119 LEU CD1 C 24.367 0.4 1 995 119 119 LEU CD2 C 23.144 0.4 1 996 119 119 LEU N N 124.16 0.4 1 997 120 120 GLU H H 8.814 0.04 1 998 120 120 GLU HA H 4.6 0.04 1 999 120 120 GLU HB2 H 2.187 0.04 2 1000 120 120 GLU HB3 H 2.065 0.04 2 1001 120 120 GLU C C 175.598 0.4 1 1002 120 120 GLU CA C 59.843 0.4 1 1003 120 120 GLU CB C 28.374 0.4 1 1004 120 120 GLU N N 123.215 0.4 1 1005 121 121 PRO HA H 4.122 0.04 1 1006 121 121 PRO HB2 H 2.047 0.04 2 1007 121 121 PRO HB3 H 2.075 0.04 2 1008 121 121 PRO HG2 H 1.834 0.04 2 1009 121 121 PRO HG3 H 1.806 0.04 2 1010 121 121 PRO HD2 H 2.905 0.04 2 1011 121 121 PRO HD3 H 2.942 0.04 2 1012 121 121 PRO C C 178.035 0.4 1 1013 121 121 PRO CA C 65.647 0.4 1 1014 121 121 PRO CB C 31.153 0.4 1 1015 121 121 PRO CG C 28.153 0.4 1 1016 121 121 PRO CD C 51.551 0.4 1 1017 122 122 PHE H H 7.62 0.04 1 1018 122 122 PHE HA H 4.185 0.04 1 1019 122 122 PHE HB2 H 2.986 0.04 2 1020 122 122 PHE HB3 H 3.071 0.04 2 1021 122 122 PHE HD1 H 7.385 0.04 3 1022 122 122 PHE HE1 H 7.057 0.04 3 1023 122 122 PHE C C 175.282 0.4 1 1024 122 122 PHE CA C 60.216 0.4 1 1025 122 122 PHE CB C 37.898 0.4 1 1026 122 122 PHE CD1 C 131.578 0.4 3 1027 122 122 PHE CE1 C 128.727 0.4 3 1028 122 122 PHE N N 115.055 0.4 1 1029 123 123 GLY H H 7.701 0.04 1 1030 123 123 GLY HA2 H 3.968 0.04 2 1031 123 123 GLY HA3 H 4.365 0.04 2 1032 123 123 GLY C C 179.861 0.4 1 1033 123 123 GLY CA C 44.929 0.4 1 1034 123 123 GLY N N 108.922 0.4 1 1035 125 125 ILE HA H 3.949 0.04 1 1036 125 125 ILE HD1 H 0.549 0.04 1 1037 125 125 ILE CD1 C 13.451 0.4 1 1038 127 127 GLN HA H 4.557 0.04 1 1039 127 127 GLN HB2 H 1.635 0.04 2 1040 127 127 GLN HB3 H 1.579 0.04 2 1041 127 127 GLN HG2 H 2.174 0.04 2 1042 127 127 GLN HG3 H 1.71 0.04 2 1043 127 127 GLN C C 173.139 0.4 1 1044 127 127 GLN CA C 54.375 0.4 1 1045 127 127 GLN CB C 33.798 0.4 1 1046 127 127 GLN CG C 33.402 0.4 1 1047 128 128 ILE H H 8.736 0.04 1 1048 128 128 ILE HA H 4.714 0.04 1 1049 128 128 ILE HB H 1.587 0.04 1 1050 128 128 ILE HG12 H 1.552 0.04 2 1051 128 128 ILE HG13 H 1.502 0.04 2 1052 128 128 ILE HG2 H 0.738 0.04 1 1053 128 128 ILE HD1 H 0.793 0.04 1 1054 128 128 ILE C C 173.959 0.4 1 1055 128 128 ILE CA C 60.85 0.4 1 1056 128 128 ILE CB C 41.004 0.4 1 1057 128 128 ILE CG1 C 28.585 0.4 1 1058 128 128 ILE CG2 C 16.733 0.4 1 1059 128 128 ILE CD1 C 14.234 0.4 1 1060 128 128 ILE N N 124.317 0.4 1 1061 129 129 LYS H H 8.884 0.04 1 1062 129 129 LYS HA H 4.755 0.04 1 1063 129 129 LYS HB2 H 1.767 0.04 2 1064 129 129 LYS HB3 H 1.929 0.04 2 1065 129 129 LYS HG2 H 1.251 0.04 2 1066 129 129 LYS HG3 H 1.434 0.04 2 1067 129 129 LYS HD2 H 1.683 0.04 2 1068 129 129 LYS HD3 H 1.718 0.04 2 1069 129 129 LYS HE2 H 2.912 0.04 2 1070 129 129 LYS HE3 H 2.877 0.04 2 1071 129 129 LYS C C 174.433 0.4 1 1072 129 129 LYS CA C 54.375 0.4 1 1073 129 129 LYS CB C 35.72 0.4 1 1074 129 129 LYS CG C 24.796 0.4 1 1075 129 129 LYS CD C 29.079 0.4 1 1076 129 129 LYS CE C 42.035 0.4 1 1077 129 129 LYS N N 130.106 0.4 1 1078 130 130 ILE H H 9.014 0.04 1 1079 130 130 ILE HA H 4.269 0.04 1 1080 130 130 ILE HB H 1.732 0.04 1 1081 130 130 ILE HG12 H 1.534 0.04 2 1082 130 130 ILE HG13 H 1.469 0.04 2 1083 130 130 ILE HG2 H 0.742 0.04 1 1084 130 130 ILE HD1 H 0.696 0.04 1 1085 130 130 ILE C C 175.909 0.4 1 1086 130 130 ILE CA C 61.151 0.4 1 1087 130 130 ILE CB C 39.254 0.4 1 1088 130 130 ILE CG1 C 28.159 0.4 1 1089 130 130 ILE CG2 C 16.899 0.4 1 1090 130 130 ILE CD1 C 13.703 0.4 1 1091 130 130 ILE N N 128.377 0.4 1 1092 131 131 VAL H H 8.966 0.04 1 1093 131 131 VAL HA H 4.445 0.04 1 1094 131 131 VAL HB H 2.208 0.04 1 1095 131 131 VAL HG1 H 0.985 0.04 1 1096 131 131 VAL HG2 H 0.974 0.04 1 1097 131 131 VAL C C 176.837 0.4 1 1098 131 131 VAL CA C 60.961 0.4 1 1099 131 131 VAL CB C 29.831 0.4 1 1100 131 131 VAL CG1 C 21.953 0.4 1 1101 131 131 VAL CG2 C 19.648 0.4 1 1102 131 131 VAL N N 132.766 0.4 1 1103 132 132 THR H H 8.35 0.04 1 1104 132 132 THR HA H 3.806 0.04 1 1105 132 132 THR HB H 4.132 0.04 1 1106 132 132 THR HG2 H 1.296 0.04 1 1107 132 132 THR C C 177.413 0.4 1 1108 132 132 THR CA C 66.381 0.4 1 1109 132 132 THR CB C 68.582 0.4 1 1110 132 132 THR CG2 C 21.759 0.4 1 1111 132 132 THR N N 123.919 0.4 1 1112 133 133 GLU H H 9.676 0.04 1 1113 133 133 GLU HA H 4.167 0.04 1 1114 133 133 GLU HB2 H 2.03 0.04 2 1115 133 133 GLU HB3 H 2.099 0.04 2 1116 133 133 GLU HG2 H 2.362 0.04 2 1117 133 133 GLU HG3 H 2.261 0.04 2 1118 133 133 GLU C C 176.711 0.4 1 1119 133 133 GLU CA C 59.003 0.4 1 1120 133 133 GLU CB C 28.746 0.4 1 1121 133 133 GLU CG C 36.301 0.4 1 1122 133 133 GLU N N 121.526 0.4 1 1123 134 134 ARG H H 7.203 0.04 1 1124 134 134 ARG HA H 4.626 0.04 1 1125 134 134 ARG HB2 H 1.452 0.04 1 1126 134 134 ARG HB3 H 2.23 0.04 1 1127 134 134 ARG HG2 H 1.606 0.04 2 1128 134 134 ARG HG3 H 1.655 0.04 2 1129 134 134 ARG HD2 H 3.264 0.04 2 1130 134 134 ARG HD3 H 3.211 0.04 2 1131 134 134 ARG C C 174.796 0.4 1 1132 134 134 ARG CA C 54.68 0.4 1 1133 134 134 ARG CB C 32.779 0.4 1 1134 134 134 ARG CG C 27.402 0.4 1 1135 134 134 ARG CD C 43.301 0.4 1 1136 134 134 ARG N N 116.095 0.4 1 1137 135 135 ASN H H 7.85 0.04 1 1138 135 135 ASN HA H 4.287 0.04 1 1139 135 135 ASN HB2 H 2.903 0.04 1 1140 135 135 ASN HB3 H 3.316 0.04 1 1141 135 135 ASN C C 173.447 0.4 1 1142 135 135 ASN CA C 55.093 0.4 1 1143 135 135 ASN CB C 36.209 0.4 1 1144 135 135 ASN N N 117.69 0.4 1 1145 136 136 ILE H H 7.064 0.04 1 1146 136 136 ILE HA H 5.199 0.04 1 1147 136 136 ILE HB H 1.482 0.04 1 1148 136 136 ILE HG12 H 1.17 0.04 2 1149 136 136 ILE HG13 H 1.135 0.04 2 1150 136 136 ILE HG2 H 0.908 0.04 1 1151 136 136 ILE HD1 H 0.856 0.04 1 1152 136 136 ILE C C 173.758 0.4 1 1153 136 136 ILE CA C 58.368 0.4 1 1154 136 136 ILE CB C 42.632 0.4 1 1155 136 136 ILE CG1 C 26.454 0.4 1 1156 136 136 ILE CG2 C 18.349 0.4 1 1157 136 136 ILE CD1 C 14.265 0.4 1 1158 136 136 ILE N N 110.42 0.4 1 1159 137 137 ALA H H 8.888 0.04 1 1160 137 137 ALA HA H 5.02 0.04 1 1161 137 137 ALA HB H 1.072 0.04 1 1162 137 137 ALA C C 173.385 0.4 1 1163 137 137 ALA CA C 50.185 0.4 1 1164 137 137 ALA CB C 23.959 0.4 1 1165 137 137 ALA N N 122.942 0.4 1 1166 138 138 PHE H H 8.857 0.04 1 1167 138 138 PHE HA H 5.412 0.04 1 1168 138 138 PHE HB2 H 2.719 0.04 1 1169 138 138 PHE HB3 H 3.686 0.04 1 1170 138 138 PHE HD1 H 7.159 0.04 3 1171 138 138 PHE HE1 H 7.349 0.04 3 1172 138 138 PHE C C 173.354 0.4 1 1173 138 138 PHE CA C 56.565 0.4 1 1174 138 138 PHE CB C 41.17 0.4 1 1175 138 138 PHE CD1 C 131.947 0.4 3 1176 138 138 PHE N N 117.389 0.4 1 1177 139 139 VAL HA H 4.454 0.04 1 1178 139 139 VAL HG1 H 0.683 0.04 2 1179 139 139 VAL HG2 H 0.161 0.04 2 1180 139 139 VAL CA C 60.918 0.4 1 1181 139 139 VAL CG1 C 21.701 0.4 2 1182 139 139 VAL CG2 C 20.12 0.4 2 1183 140 140 HIS H H 8.845 0.04 1 1184 140 140 HIS C C 178.147 0.4 1 1185 140 140 HIS N N 125.388 0.4 1 1186 141 141 PHE HA H 4.882 0.04 1 1187 141 141 PHE HD1 H 7.2 0.04 3 1188 141 141 PHE CA C 59.392 0.4 1 1189 144 144 ILE C C 175.881 0.4 1 1190 144 144 ILE CA C 65.545 0.4 1 1191 144 144 ILE CB C 41.438 0.4 1 1192 145 145 ALA H H 8.586 0.04 1 1193 145 145 ALA HA H 4.539 0.04 1 1194 145 145 ALA HB H 1.601 0.04 1 1195 145 145 ALA C C 179.725 0.4 1 1196 145 145 ALA CA C 55.74 0.4 1 1197 145 145 ALA CB C 17.986 0.4 1 1198 145 145 ALA N N 123.72 0.4 1 1199 146 146 ALA H H 7.637 0.04 1 1200 146 146 ALA HA H 3.784 0.04 1 1201 146 146 ALA HB H 0.975 0.04 1 1202 146 146 ALA C C 177.132 0.4 1 1203 146 146 ALA CA C 54.723 0.4 1 1204 146 146 ALA CB C 19.695 0.4 1 1205 146 146 ALA N N 121.992 0.4 1 1206 147 147 ALA H H 6.427 0.04 1 1207 147 147 ALA HA H 3.51 0.04 1 1208 147 147 ALA HB H 1.153 0.04 1 1209 147 147 ALA C C 178.613 0.4 1 1210 147 147 ALA CA C 54.779 0.4 1 1211 147 147 ALA CB C 21.136 0.4 1 1212 147 147 ALA N N 120.753 0.4 1 1213 148 148 ILE H H 8.025 0.04 1 1214 148 148 ILE HA H 4.224 0.04 1 1215 148 148 ILE HB H 1.57 0.04 1 1216 148 148 ILE HG2 H 0.662 0.04 1 1217 148 148 ILE HD1 H 0.745 0.04 1 1218 148 148 ILE C C 178.385 0.4 1 1219 148 148 ILE CA C 63.733 0.4 1 1220 148 148 ILE CB C 38.816 0.4 1 1221 148 148 ILE CG2 C 16.775 0.4 1 1222 148 148 ILE CD1 C 16.396 0.4 1 1223 148 148 ILE N N 118.253 0.4 1 1224 149 149 LYS H H 7.136 0.04 1 1225 149 149 LYS HA H 3.835 0.04 1 1226 149 149 LYS HB2 H 1.876 0.04 2 1227 149 149 LYS HB3 H 1.803 0.04 2 1228 149 149 LYS HG2 H 1.464 0.04 2 1229 149 149 LYS HG3 H 1.558 0.04 2 1230 149 149 LYS HD2 H 1.775 0.04 2 1231 149 149 LYS HD3 H 1.821 0.04 2 1232 149 149 LYS HE2 H 3.015 0.04 2 1233 149 149 LYS HE3 H 3.053 0.04 2 1234 149 149 LYS C C 177.423 0.4 1 1235 149 149 LYS CA C 59.4 0.4 1 1236 149 149 LYS CB C 32.472 0.4 1 1237 149 149 LYS CG C 25.163 0.4 1 1238 149 149 LYS CD C 29.476 0.4 1 1239 149 149 LYS CE C 41.852 0.4 1 1240 149 149 LYS N N 120.472 0.4 1 1241 150 150 ALA H H 7.634 0.04 1 1242 150 150 ALA HA H 3.522 0.04 1 1243 150 150 ALA HB H 0.835 0.04 1 1244 150 150 ALA C C 179.004 0.4 1 1245 150 150 ALA CA C 54.642 0.4 1 1246 150 150 ALA CB C 18.038 0.4 1 1247 150 150 ALA N N 122.826 0.4 1 1248 151 151 VAL H H 8.18 0.04 1 1249 151 151 VAL HA H 3.128 0.04 1 1250 151 151 VAL HB H 1.895 0.04 1 1251 151 151 VAL HG1 H 0.522 0.04 1 1252 151 151 VAL HG2 H 0.317 0.04 1 1253 151 151 VAL C C 177.279 0.4 1 1254 151 151 VAL CA C 66.421 0.4 1 1255 151 151 VAL CB C 31.048 0.4 1 1256 151 151 VAL CG1 C 21.069 0.4 1 1257 151 151 VAL CG2 C 24.515 0.4 1 1258 151 151 VAL N N 118.934 0.4 1 1259 152 152 GLN H H 7.71 0.04 1 1260 152 152 GLN HA H 4.015 0.04 1 1261 152 152 GLN HB2 H 2.163 0.04 1 1262 152 152 GLN HB3 H 2.006 0.04 1 1263 152 152 GLN HG2 H 2.317 0.04 1 1264 152 152 GLN HG3 H 2.553 0.04 1 1265 152 152 GLN C C 178.581 0.4 1 1266 152 152 GLN CA C 57.976 0.4 1 1267 152 152 GLN CB C 29.191 0.4 1 1268 152 152 GLN CG C 34.286 0.4 1 1269 152 152 GLN N N 116.555 0.4 1 1270 153 153 GLU H H 8.42 0.04 1 1271 153 153 GLU HA H 4.414 0.04 1 1272 153 153 GLU HB2 H 2.13 0.04 2 1273 153 153 GLU HB3 H 2.079 0.04 2 1274 153 153 GLU HG2 H 2.169 0.04 2 1275 153 153 GLU HG3 H 2.512 0.04 2 1276 153 153 GLU C C 179.236 0.4 1 1277 153 153 GLU CA C 57.937 0.4 1 1278 153 153 GLU CB C 31.224 0.4 1 1279 153 153 GLU CG C 36.879 0.4 1 1280 153 153 GLU N N 117.527 0.4 1 1281 154 154 LEU H H 9.091 0.04 1 1282 154 154 LEU HA H 4.245 0.04 1 1283 154 154 LEU HB2 H 1.254 0.04 2 1284 154 154 LEU HB3 H 1.356 0.04 2 1285 154 154 LEU HD1 H 0.188 0.04 1 1286 154 154 LEU HD2 H -0.086 0.04 1 1287 154 154 LEU C C 175.292 0.4 1 1288 154 154 LEU CA C 59.692 0.4 1 1289 154 154 LEU CB C 39.894 0.4 1 1290 154 154 LEU CD1 C 23.363 0.4 1 1291 154 154 LEU CD2 C 24.284 0.4 1 1292 154 154 LEU N N 127.617 0.4 1 1293 155 155 PRO HA H 4.179 0.04 1 1294 155 155 PRO HB2 H 2.476 0.04 2 1295 155 155 PRO HB3 H 1.591 0.04 2 1296 155 155 PRO HG2 H 1.84 0.04 2 1297 155 155 PRO HG3 H 1.882 0.04 2 1298 155 155 PRO HD2 H 3.478 0.04 2 1299 155 155 PRO HD3 H 3.025 0.04 2 1300 155 155 PRO C C 176.59 0.4 1 1301 155 155 PRO CA C 65.544 0.4 1 1302 155 155 PRO CB C 31.467 0.4 1 1303 155 155 PRO CG C 28.587 0.4 1 1304 155 155 PRO CD C 51.838 0.4 1 1305 156 156 LEU H H 7.313 0.04 1 1306 156 156 LEU HA H 4.199 0.04 1 1307 156 156 LEU HB2 H 1.913 0.04 1 1308 156 156 LEU HB3 H 1.661 0.04 1 1309 156 156 LEU HG H 1.699 0.04 1 1310 156 156 LEU HD1 H 0.984 0.04 1 1311 156 156 LEU HD2 H 0.861 0.04 1 1312 156 156 LEU C C 177.994 0.4 1 1313 156 156 LEU CA C 54.775 0.4 1 1314 156 156 LEU CB C 41.19 0.4 1 1315 156 156 LEU CG C 27.388 0.4 1 1316 156 156 LEU CD1 C 25.157 0.4 1 1317 156 156 LEU CD2 C 22.295 0.4 1 1318 156 156 LEU N N 115.852 0.4 1 1319 157 157 ASN H H 8.262 0.04 1 1320 157 157 ASN HA H 4.981 0.04 1 1321 157 157 ASN HB2 H 3.523 0.04 1 1322 157 157 ASN HB3 H 2.977 0.04 1 1323 157 157 ASN C C 175.394 0.4 1 1324 157 157 ASN CA C 50.616 0.4 1 1325 157 157 ASN CB C 39.643 0.4 1 1326 157 157 ASN N N 125.017 0.4 1 1327 158 158 PRO HA H 4.391 0.04 1 1328 158 158 PRO HB2 H 2.013 0.04 2 1329 158 158 PRO HB3 H 2.443 0.04 2 1330 158 158 PRO HG2 H 2.073 0.04 2 1331 158 158 PRO HG3 H 2.119 0.04 2 1332 158 158 PRO HD2 H 4.13 0.04 2 1333 158 158 PRO HD3 H 3.864 0.04 2 1334 158 158 PRO C C 178.639 0.4 1 1335 158 158 PRO CA C 65.186 0.4 1 1336 158 158 PRO CB C 32.261 0.4 1 1337 158 158 PRO CG C 27.362 0.4 1 1338 158 158 PRO CD C 50.996 0.4 1 1339 159 159 LYS H H 8.192 0.04 1 1340 159 159 LYS HA H 4.003 0.04 1 1341 159 159 LYS HB2 H 1.557 0.04 1 1342 159 159 LYS HB3 H 1.74 0.04 1 1343 159 159 LYS HG2 H 1.384 0.04 2 1344 159 159 LYS HG3 H 1.01 0.04 2 1345 159 159 LYS HD2 H 1.674 0.04 2 1346 159 159 LYS HD3 H 1.725 0.04 2 1347 159 159 LYS HE2 H 2.891 0.04 2 1348 159 159 LYS HE3 H 2.919 0.04 2 1349 159 159 LYS C C 177.795 0.4 1 1350 159 159 LYS CA C 58.493 0.4 1 1351 159 159 LYS CB C 32.917 0.4 1 1352 159 159 LYS CG C 24.893 0.4 1 1353 159 159 LYS CD C 29.451 0.4 1 1354 159 159 LYS CE C 41.402 0.4 1 1355 159 159 LYS N N 118.69 0.4 1 1356 160 160 TRP H H 8.245 0.04 1 1357 160 160 TRP HA H 3.995 0.04 1 1358 160 160 TRP HB2 H 3.228 0.04 1 1359 160 160 TRP HB3 H 3.433 0.04 1 1360 160 160 TRP HD1 H 6.87 0.04 1 1361 160 160 TRP HE1 H 11.361 0.04 1 1362 160 160 TRP C C 176.986 0.4 1 1363 160 160 TRP CA C 58.002 0.4 1 1364 160 160 TRP CB C 29.875 0.4 1 1365 160 160 TRP CD1 C 126.675 0.4 1 1366 160 160 TRP N N 119.328 0.4 1 1367 160 160 TRP NE1 N 134.089 0.4 1 1368 161 161 SER H H 7.522 0.04 1 1369 161 161 SER HA H 4.318 0.04 1 1370 161 161 SER C C 175.587 0.4 1 1371 161 161 SER CA C 61.648 0.4 1 1372 161 161 SER CB C 63.684 0.4 1 1373 161 161 SER N N 117.762 0.4 1 1374 162 162 LYS H H 8.334 0.04 1 1375 162 162 LYS HA H 4.547 0.04 1 1376 162 162 LYS HB2 H 1.612 0.04 1 1377 162 162 LYS HB3 H 2.059 0.04 1 1378 162 162 LYS HG2 H 1.39 0.04 2 1379 162 162 LYS HG3 H 1.367 0.04 2 1380 162 162 LYS HD2 H 1.641 0.04 2 1381 162 162 LYS HD3 H 1.575 0.04 2 1382 162 162 LYS HE2 H 2.916 0.04 2 1383 162 162 LYS HE3 H 2.94 0.04 2 1384 162 162 LYS C C 176.719 0.4 1 1385 162 162 LYS CA C 55.584 0.4 1 1386 162 162 LYS CB C 31.566 0.4 1 1387 162 162 LYS CG C 24.721 0.4 1 1388 162 162 LYS CD C 28.576 0.4 1 1389 162 162 LYS CE C 42.069 0.4 1 1390 162 162 LYS N N 120.248 0.4 1 1391 163 163 ARG H H 7.626 0.04 1 1392 163 163 ARG C C 174.334 0.4 1 1393 163 163 ARG CA C 55.574 0.4 1 1394 163 163 ARG CB C 30.741 0.4 1 1395 163 163 ARG N N 122.162 0.4 1 1396 164 164 ARG H H 7.668 0.04 1 1397 164 164 ARG HA H 4.609 0.04 1 1398 164 164 ARG HB2 H 1.59 0.04 2 1399 164 164 ARG HB3 H 1.738 0.04 2 1400 164 164 ARG HG2 H 1.638 0.04 2 1401 164 164 ARG HG3 H 1.703 0.04 2 1402 164 164 ARG HD2 H 3.259 0.04 2 1403 164 164 ARG HD3 H 3.3 0.04 2 1404 164 164 ARG C C 174.553 0.4 1 1405 164 164 ARG CA C 55.326 0.4 1 1406 164 164 ARG CB C 31.85 0.4 1 1407 164 164 ARG CG C 27.21 0.4 1 1408 164 164 ARG CD C 43.181 0.4 1 1409 164 164 ARG N N 122.19 0.4 1 1410 165 165 ILE H H 8.218 0.04 1 1411 165 165 ILE HA H 5.08 0.04 1 1412 165 165 ILE HB H 1.635 0.04 1 1413 165 165 ILE HG2 H 0.697 0.04 1 1414 165 165 ILE HD1 H 0.845 0.04 1 1415 165 165 ILE C C 174.809 0.4 1 1416 165 165 ILE CA C 60.242 0.4 1 1417 165 165 ILE CB C 41.356 0.4 1 1418 165 165 ILE CG2 C 18.317 0.4 1 1419 165 165 ILE CD1 C 15.691 0.4 1 1420 165 165 ILE N N 125.92 0.4 1 1421 166 166 TYR H H 8.753 0.04 1 1422 166 166 TYR C C 173.668 0.4 1 1423 166 166 TYR CA C 56.686 0.4 1 1424 166 166 TYR CB C 38.904 0.4 1 1425 166 166 TYR N N 126.129 0.4 1 1426 167 167 TYR H H 7.609 0.04 1 1427 167 167 TYR HA H 5.059 0.04 1 1428 167 167 TYR HB2 H 2.77 0.04 2 1429 167 167 TYR HB3 H 3.271 0.04 2 1430 167 167 TYR HD1 H 7.149 0.04 3 1431 167 167 TYR HE1 H 6.599 0.04 3 1432 167 167 TYR C C 177.421 0.4 1 1433 167 167 TYR CA C 59.291 0.4 1 1434 167 167 TYR CB C 40.363 0.4 1 1435 167 167 TYR CD1 C 133.591 0.4 3 1436 167 167 TYR CE1 C 117.961 0.4 3 1437 167 167 TYR N N 120.159 0.4 1 1438 168 168 GLY H H 8.908 0.04 1 1439 168 168 GLY C C 171.827 0.4 1 1440 168 168 GLY CA C 43.613 0.4 1 1441 168 168 GLY N N 112.538 0.4 1 1442 169 169 ARG H H 8.307 0.04 1 1443 169 169 ARG C C 176.511 0.4 1 1444 169 169 ARG CA C 55.573 0.4 1 1445 169 169 ARG CB C 34.043 0.4 1 1446 169 169 ARG N N 120.881 0.4 1 1447 173 173 ALA HA H 4.034 0.04 1 1448 173 173 ALA HB H 1.26 0.04 1 1449 173 173 ALA C C 177.483 0.4 1 1450 173 173 ALA CA C 49.994 0.4 1 1451 173 173 ALA CB C 18.907 0.4 1 1452 174 174 VAL H H 6.933 0.04 1 1453 174 174 VAL HA H 3.872 0.04 1 1454 174 174 VAL HB H 2.156 0.04 1 1455 174 174 VAL HG1 H 0.824 0.04 2 1456 174 174 VAL HG2 H 0.94 0.04 2 1457 174 174 VAL C C 175.976 0.4 1 1458 174 174 VAL CA C 63.652 0.4 1 1459 174 174 VAL CB C 32.011 0.4 1 1460 174 174 VAL CG1 C 20.779 0.4 2 1461 174 174 VAL CG2 C 20.621 0.4 2 1462 174 174 VAL N N 119.817 0.4 1 1463 175 175 GLY H H 8.27 0.04 1 1464 175 175 GLY HA2 H 3.804 0.04 2 1465 175 175 GLY HA3 H 4.007 0.04 2 1466 175 175 GLY C C 173.986 0.4 1 1467 175 175 GLY CA C 45.126 0.4 1 1468 175 175 GLY N N 112.448 0.4 1 1469 176 176 LEU H H 7.738 0.04 1 1470 176 176 LEU HA H 4.234 0.04 1 1471 176 176 LEU HB2 H 1.518 0.04 2 1472 176 176 LEU HB3 H 1.573 0.04 2 1473 176 176 LEU HG H 1.448 0.04 1 1474 176 176 LEU HD1 H 0.815 0.04 1 1475 176 176 LEU HD2 H 0.762 0.04 1 1476 176 176 LEU C C 176.177 0.4 1 1477 176 176 LEU CA C 55.223 0.4 1 1478 176 176 LEU CB C 42.406 0.4 1 1479 176 176 LEU CG C 26.971 0.4 1 1480 176 176 LEU CD1 C 25.121 0.4 1 1481 176 176 LEU CD2 C 23.699 0.4 1 1482 176 176 LEU N N 123.765 0.4 1 1483 177 177 LYS H H 7.772 0.04 1 1484 177 177 LYS C C 175.882 0.4 1 1485 177 177 LYS CA C 57.708 0.4 1 1486 177 177 LYS CB C 33.683 0.4 1 1487 177 177 LYS N N 129.273 0.4 1 stop_ save_