data_27286 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for VSV8 peptide bound to a truncated MHC H-2Kb (VSV8/Kb-t) ; _BMRB_accession_number 27286 _BMRB_flat_file_name bmr27286.str _Entry_type original _Submission_date 2017-10-18 _Accession_date 2017-10-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of extracellular domain of H-2Kb trucated mutant.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Arthanari Haribabu . . 3 Lang Matt J. . 4 Reinherz Ellis L. . 5 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 140 "13C chemical shifts" 385 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2017-12-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27285 'VSV8 peptide bound to MHC H-2Kb (VSV8/Kb)' stop_ _Original_release_date 2017-10-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR-Directed Design of PreTCRbeta and pMHC Molecules Implies a Distinct Geometry for preTCR Relative to alphabetaTCR Recognition of pMHC ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29101227 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Arthanari Haribabu . . 3 Lang Matt J. . 4 Reinherz Ellis L. . 5 Wagner Gerhard . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 293 _Journal_issue 3 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 754 _Page_last 766 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VSV8 peptide bound to a truncated MHC H-2Kb (VSV8/Kb-t)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label H-2Kb-t $H-2Kb-t VSV8 $VSV8 stop_ _System_molecular_weight 22389.92 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Presents self or heterologous peptides on cell surface for immune surveillance.' stop_ _Database_query_date . _Details 'Peptide Major Histocompatibility Complex Molecule' save_ ######################## # Monomeric polymers # ######################## save_H-2Kb-t _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H-2Kb-t _Molecular_mass 21452.86 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; MGPHSLRYFVTAVSRPGLGE PRYMEVGYVDDTEFVRFDSD AENPRYEPRARWMEQEGPEY WERETQKAKGNEQSFRVDLR TLLGYYNQSKGGSHTIQVIS GCEVGSDGRLLRGYQQYAYD GCDYIALNEDLKTWTAADMA ALITKHKWEQAGEAERLRAY LEGTCVEWLRRYLKNGNATL LRTDSP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLY 3 2 PRO 4 3 HIS 5 4 SER 6 5 LEU 7 6 ARG 8 7 TYR 9 8 PHE 10 9 VAL 11 10 THR 12 11 ALA 13 12 VAL 14 13 SER 15 14 ARG 16 15 PRO 17 16 GLY 18 17 LEU 19 18 GLY 20 19 GLU 21 20 PRO 22 21 ARG 23 22 TYR 24 23 MET 25 24 GLU 26 25 VAL 27 26 GLY 28 27 TYR 29 28 VAL 30 29 ASP 31 30 ASP 32 31 THR 33 32 GLU 34 33 PHE 35 34 VAL 36 35 ARG 37 36 PHE 38 37 ASP 39 38 SER 40 39 ASP 41 40 ALA 42 41 GLU 43 42 ASN 44 43 PRO 45 44 ARG 46 45 TYR 47 46 GLU 48 47 PRO 49 48 ARG 50 49 ALA 51 50 ARG 52 51 TRP 53 52 MET 54 53 GLU 55 54 GLN 56 55 GLU 57 56 GLY 58 57 PRO 59 58 GLU 60 59 TYR 61 60 TRP 62 61 GLU 63 62 ARG 64 63 GLU 65 64 THR 66 65 GLN 67 66 LYS 68 67 ALA 69 68 LYS 70 69 GLY 71 70 ASN 72 71 GLU 73 72 GLN 74 73 SER 75 74 PHE 76 75 ARG 77 76 VAL 78 77 ASP 79 78 LEU 80 79 ARG 81 80 THR 82 81 LEU 83 82 LEU 84 83 GLY 85 84 TYR 86 85 TYR 87 86 ASN 88 87 GLN 89 88 SER 90 89 LYS 91 90 GLY 92 91 GLY 93 92 SER 94 93 HIS 95 94 THR 96 95 ILE 97 96 GLN 98 97 VAL 99 98 ILE 100 99 SER 101 100 GLY 102 101 CYS 103 102 GLU 104 103 VAL 105 104 GLY 106 105 SER 107 106 ASP 108 107 GLY 109 108 ARG 110 109 LEU 111 110 LEU 112 111 ARG 113 112 GLY 114 113 TYR 115 114 GLN 116 115 GLN 117 116 TYR 118 117 ALA 119 118 TYR 120 119 ASP 121 120 GLY 122 121 CYS 123 122 ASP 124 123 TYR 125 124 ILE 126 125 ALA 127 126 LEU 128 127 ASN 129 128 GLU 130 129 ASP 131 130 LEU 132 131 LYS 133 132 THR 134 133 TRP 135 134 THR 136 135 ALA 137 136 ALA 138 137 ASP 139 138 MET 140 139 ALA 141 140 ALA 142 141 LEU 143 142 ILE 144 143 THR 145 144 LYS 146 145 HIS 147 146 LYS 148 147 TRP 149 148 GLU 150 149 GLN 151 150 ALA 152 151 GLY 153 152 GLU 154 153 ALA 155 154 GLU 156 155 ARG 157 156 LEU 158 157 ARG 159 158 ALA 160 159 TYR 161 160 LEU 162 161 GLU 163 162 GLY 164 163 THR 165 164 CYS 166 165 VAL 167 166 GLU 168 167 TRP 169 168 LEU 170 169 ARG 171 170 ARG 172 171 TYR 173 172 LEU 174 173 LYS 175 174 ASN 176 175 GLY 177 176 ASN 178 177 ALA 179 178 THR 180 179 LEU 181 180 LEU 182 181 ARG 183 182 THR 184 183 ASP 185 184 SER 186 185 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_VSV8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VSV8 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 8 _Mol_residue_sequence ; RGYVYQGL ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLY 3 TYR 4 VAL 5 TYR 6 GLN 7 GLY 8 LEU 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 _Strain _Gene_mnemonic $H-2Kb-t Mouse 10090 Eukaryota Metazoa Mus musculus B6 H-2Kb $VSV8 'vesicular stomatitus virus' 11276 Viruses . Vesiculovirus 'vesicular stomatitus virus' . . 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 $H-2Kb-t 'recombinant technology' . . . BL21-DE3 pet11d $VSV8 'chemical synthesis' . . . . . 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 $H-2Kb-t 400 uM '[U-13C; U-15N; U-2H]' $VSV8 400 uM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Cara _Saveframe_category software _Name Cara _Version . loop_ _Vendor _Address _Electronic_address Keller 'Goldau, Switzerland' . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_RASP _Saveframe_category software _Name RASP _Version . loop_ _Vendor _Address _Electronic_address MacRaild . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARTA+ _Saveframe_category software _Name SPARTA+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model UnityPlus _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 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' 470 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.7 na indirect . . . . water H 1 protons ppm 4.7 na direct . . . 1 water N 15 protons ppm 4.7 na indirect . . . . 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_ _Software_label $Cara stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name H-2Kb-t _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 3 4 HIS H H 8.225 0.020 1 2 3 4 HIS C C 173.872 0.3 1 3 3 4 HIS CA C 54.723 0.3 1 4 3 4 HIS CB C 33.091 0.3 1 5 3 4 HIS N N 116.734 0.3 1 6 4 5 SER H H 9.299 0.020 1 7 4 5 SER C C 171.851 0.3 1 8 4 5 SER CA C 56.562 0.3 1 9 4 5 SER CB C 66.928 0.3 1 10 4 5 SER N N 114.484 0.3 1 11 5 6 LEU H H 8.747 0.020 1 12 5 6 LEU C C 174.340 0.3 1 13 5 6 LEU CA C 53.577 0.3 1 14 5 6 LEU CB C 44.475 0.3 1 15 5 6 LEU N N 126.326 0.3 1 16 6 7 ARG H H 9.017 0.020 1 17 6 7 ARG C C 173.975 0.3 1 18 6 7 ARG CA C 54.110 0.3 1 19 6 7 ARG CB C 34.789 0.3 1 20 6 7 ARG N N 124.329 0.3 1 21 9 10 VAL H H 9.229 0.020 1 22 9 10 VAL C C 175.368 0.3 1 23 9 10 VAL CA C 60.425 0.3 1 24 9 10 VAL CB C 33.217 0.3 1 25 9 10 VAL N N 130.623 0.3 1 26 10 11 THR H H 8.357 0.020 1 27 10 11 THR CA C 59.732 0.3 1 28 10 11 THR CB C 71.645 0.3 1 29 10 11 THR N N 119.752 0.3 1 30 11 12 ALA H H 8.780 0.020 1 31 11 12 ALA C C 175.516 0.3 1 32 11 12 ALA CA C 49.900 0.3 1 33 11 12 ALA CB C 21.707 0.3 1 34 11 12 ALA N N 127.985 0.3 1 35 12 13 VAL H H 8.753 0.020 1 36 12 13 VAL C C 176.726 0.3 1 37 12 13 VAL CA C 59.386 0.3 1 38 12 13 VAL CB C 34.600 0.3 1 39 12 13 VAL N N 123.204 0.3 1 40 13 14 SER H H 9.431 0.020 1 41 13 14 SER C C 173.678 0.3 1 42 13 14 SER CA C 56.695 0.3 1 43 13 14 SER CB C 64.727 0.3 1 44 13 14 SER N N 122.360 0.3 1 45 14 15 ARG H H 9.376 0.020 1 46 14 15 ARG C C 172.742 0.3 1 47 14 15 ARG CA C 52.698 0.3 1 48 14 15 ARG CB C 29.695 0.3 1 49 14 15 ARG N N 121.149 0.3 1 50 17 18 LEU H H 8.119 0.020 1 51 17 18 LEU C C 177.093 0.3 1 52 17 18 LEU CA C 54.430 0.3 1 53 17 18 LEU CB C 42.211 0.3 1 54 17 18 LEU N N 122.360 0.3 1 55 18 19 GLY H H 7.785 0.020 1 56 18 19 GLY C C 173.575 0.3 1 57 18 19 GLY CA C 44.598 0.3 1 58 18 19 GLY N N 107.733 0.3 1 59 19 20 GLU H H 8.304 0.020 1 60 19 20 GLU C C 174.192 0.3 1 61 19 20 GLU CA C 54.323 0.3 1 62 19 20 GLU CB C 27.619 0.3 1 63 19 20 GLU N N 122.360 0.3 1 64 21 22 ARG H H 8.727 0.020 1 65 21 22 ARG C C 174.237 0.3 1 66 21 22 ARG CA C 55.816 0.3 1 67 21 22 ARG CB C 30.764 0.3 1 68 21 22 ARG N N 126.298 0.3 1 69 22 23 TYR H H 9.273 0.020 1 70 22 23 TYR C C 172.998 0.3 1 71 22 23 TYR CA C 57.041 0.3 1 72 22 23 TYR CB C 42.462 0.3 1 73 22 23 TYR N N 132.672 0.3 1 74 23 24 MET H H 8.084 0.020 1 75 23 24 MET C C 174.077 0.3 1 76 23 24 MET CA C 53.364 0.3 1 77 23 24 MET CB C 37.431 0.3 1 78 23 24 MET N N 125.735 0.3 1 79 24 25 GLU H H 8.493 0.020 1 80 24 25 GLU C C 175.196 0.3 1 81 24 25 GLU CA C 54.803 0.3 1 82 24 25 GLU CB C 32.336 0.3 1 83 24 25 GLU N N 118.296 0.3 1 84 25 26 VAL H H 8.885 0.020 1 85 25 26 VAL C C 174.911 0.3 1 86 25 26 VAL CA C 61.358 0.3 1 87 25 26 VAL CB C 34.223 0.3 1 88 25 26 VAL N N 122.922 0.3 1 89 26 27 GLY H H 8.190 0.020 1 90 26 27 GLY C C 173.016 0.3 1 91 26 27 GLY CA C 44.384 0.3 1 92 26 27 GLY N N 113.359 0.3 1 93 27 28 TYR H H 9.674 0.020 1 94 27 28 TYR C C 176.144 0.3 1 95 27 28 TYR CA C 57.361 0.3 1 96 27 28 TYR CB C 42.085 0.3 1 97 27 28 TYR N N 123.209 0.3 1 98 28 29 VAL H H 8.560 0.020 1 99 28 29 VAL C C 176.304 0.3 1 100 28 29 VAL CA C 60.772 0.3 1 101 28 29 VAL CB C 32.525 0.3 1 102 28 29 VAL N N 124.887 0.3 1 103 31 32 THR H H 8.589 0.020 1 104 31 32 THR CA C 62.237 0.3 1 105 31 32 THR CB C 70.136 0.3 1 106 31 32 THR N N 119.522 0.3 1 107 32 33 GLU H H 8.962 0.020 1 108 32 33 GLU C C 175.927 0.3 1 109 32 33 GLU CA C 56.322 0.3 1 110 32 33 GLU CB C 28.562 0.3 1 111 32 33 GLU N N 133.338 0.3 1 112 33 34 PHE H H 8.972 0.020 1 113 33 34 PHE C C 174.740 0.3 1 114 33 34 PHE CA C 56.588 0.3 1 115 33 34 PHE CB C 42.022 0.3 1 116 33 34 PHE N N 124.325 0.3 1 117 34 35 VAL H H 6.755 0.020 1 118 34 35 VAL C C 174.260 0.3 1 119 34 35 VAL CA C 59.812 0.3 1 120 34 35 VAL CB C 36.739 0.3 1 121 34 35 VAL N N 118.422 0.3 1 122 35 36 ARG H H 8.075 0.020 1 123 35 36 ARG C C 172.742 0.3 1 124 35 36 ARG CA C 55.736 0.3 1 125 35 36 ARG CB C 33.971 0.3 1 126 35 36 ARG N N 118.702 0.3 1 127 36 37 PHE H H 9.202 0.020 1 128 36 37 PHE C C 172.924 0.3 1 129 36 37 PHE CA C 56.961 0.3 1 130 36 37 PHE CB C 42.273 0.3 1 131 36 37 PHE N N 127.985 0.3 1 132 37 38 ASP H H 7.442 0.020 1 133 37 38 ASP C C 175.984 0.3 1 134 37 38 ASP CA C 51.739 0.3 1 135 37 38 ASP CB C 42.525 0.3 1 136 37 38 ASP N N 127.141 0.3 1 137 38 39 SER H H 9.185 0.020 1 138 38 39 SER CA C 60.878 0.3 1 139 38 39 SER CB C 62.903 0.3 1 140 38 39 SER N N 123.204 0.3 1 141 39 40 ASP H H 8.172 0.020 1 142 39 40 ASP C C 176.521 0.3 1 143 39 40 ASP CA C 53.524 0.3 1 144 39 40 ASP CB C 39.821 0.3 1 145 39 40 ASP N N 122.922 0.3 1 146 40 41 ALA H H 7.239 0.020 1 147 40 41 ALA C C 176.441 0.3 1 148 40 41 ALA CA C 51.392 0.3 1 149 40 41 ALA CB C 19.128 0.3 1 150 40 41 ALA N N 124.329 0.3 1 151 41 42 GLU H H 8.252 0.020 1 152 41 42 GLU C C 177.217 0.3 1 153 41 42 GLU CA C 58.453 0.3 1 154 41 42 GLU CB C 28.562 0.3 1 155 41 42 GLU N N 121.235 0.3 1 156 42 43 ASN H H 8.084 0.020 1 157 42 43 ASN C C 171.897 0.3 1 158 42 43 ASN CA C 50.300 0.3 1 159 42 43 ASN CB C 38.185 0.3 1 160 42 43 ASN N N 116.172 0.3 1 161 44 45 ARG H H 7.898 0.020 1 162 44 45 ARG C C 175.630 0.3 1 163 44 45 ARG CA C 54.243 0.3 1 164 44 45 ARG CB C 31.896 0.3 1 165 44 45 ARG N N 123.058 0.3 1 166 45 46 TYR H H 8.848 0.020 1 167 45 46 TYR C C 176.167 0.3 1 168 45 46 TYR CA C 60.825 0.3 1 169 45 46 TYR CB C 38.626 0.3 1 170 45 46 TYR N N 125.747 0.3 1 171 46 47 GLU H H 8.701 0.020 1 172 46 47 GLU C C 174.077 0.3 1 173 46 47 GLU CA C 52.192 0.3 1 174 46 47 GLU CB C 31.581 0.3 1 175 46 47 GLU N N 121.933 0.3 1 176 48 49 ARG H H 7.914 0.020 1 177 48 49 ARG C C 173.818 0.3 1 178 48 49 ARG CA C 52.150 0.3 1 179 48 49 ARG CB C 31.204 0.3 1 180 48 49 ARG N N 119.366 0.3 1 181 49 50 ALA H H 6.738 0.020 1 182 49 50 ALA C C 178.701 0.3 1 183 49 50 ALA CA C 49.542 0.3 1 184 49 50 ALA CB C 19.820 0.3 1 185 49 50 ALA N N 120.110 0.3 1 186 51 52 TRP H H 6.861 0.020 1 187 51 52 TRP C C 178.005 0.3 1 188 51 52 TRP CA C 55.336 0.3 1 189 51 52 TRP CB C 27.305 0.3 1 190 51 52 TRP N N 113.922 0.3 1 191 52 53 MET H H 7.222 0.020 1 192 52 53 MET C C 178.324 0.3 1 193 52 53 MET CA C 53.657 0.3 1 194 52 53 MET CB C 30.323 0.3 1 195 52 53 MET N N 118.984 0.3 1 196 53 54 GLU H H 7.838 0.020 1 197 53 54 GLU C C 176.589 0.3 1 198 53 54 GLU CA C 58.267 0.3 1 199 53 54 GLU CB C 28.059 0.3 1 200 53 54 GLU N N 120.110 0.3 1 201 54 55 GLN H H 7.442 0.020 1 202 54 55 GLN C C 177.149 0.3 1 203 54 55 GLN CA C 56.082 0.3 1 204 54 55 GLN CB C 28.877 0.3 1 205 54 55 GLN N N 114.765 0.3 1 206 55 56 GLU H H 7.442 0.020 1 207 55 56 GLU C C 177.822 0.3 1 208 55 56 GLU CA C 55.816 0.3 1 209 55 56 GLU CB C 28.248 0.3 1 210 55 56 GLU N N 120.672 0.3 1 211 56 57 GLY H H 8.774 0.020 1 212 56 57 GLY C C 172.228 0.3 1 213 56 57 GLY CA C 44.571 0.3 1 214 56 57 GLY N N 111.630 0.3 1 215 58 59 GLU H H 9.096 0.020 1 216 58 59 GLU C C 178.907 0.3 1 217 58 59 GLU CA C 58.960 0.3 1 218 58 59 GLU CB C 27.619 0.3 1 219 58 59 GLU N N 118.422 0.3 1 220 59 60 TYR H H 7.706 0.020 1 221 59 60 TYR C C 176.566 0.3 1 222 59 60 TYR CA C 61.251 0.3 1 223 59 60 TYR CB C 37.745 0.3 1 224 59 60 TYR N N 123.204 0.3 1 225 60 61 TRP H H 6.562 0.020 1 226 60 61 TRP C C 179.752 0.3 1 227 60 61 TRP CA C 57.791 0.3 1 228 60 61 TRP CB C 28.625 0.3 1 229 60 61 TRP N N 120.110 0.3 1 230 61 62 GLU H H 8.511 0.020 1 231 61 62 GLU C C 178.724 0.3 1 232 61 62 GLU CA C 59.040 0.3 1 233 61 62 GLU CB C 28.877 0.3 1 234 61 62 GLU N N 122.259 0.3 1 235 62 63 ARG H H 7.723 0.020 1 236 62 63 ARG C C 179.706 0.3 1 237 62 63 ARG CA C 58.374 0.3 1 238 62 63 ARG CB C 28.688 0.3 1 239 62 63 ARG N N 120.110 0.3 1 240 63 64 GLU H H 8.080 0.020 1 241 63 64 GLU C C 178.850 0.3 1 242 63 64 GLU CA C 58.054 0.3 1 243 63 64 GLU CB C 26.487 0.3 1 244 63 64 GLU N N 118.217 0.3 1 245 64 65 THR H H 8.129 0.020 1 246 64 65 THR CA C 68.406 0.3 1 247 64 65 THR N N 117.850 0.3 1 248 65 66 GLN H H 7.908 0.020 1 249 65 66 GLN C C 179.443 0.3 1 250 65 66 GLN CA C 58.800 0.3 1 251 65 66 GLN CB C 27.242 0.3 1 252 65 66 GLN N N 121.265 0.3 1 253 66 67 LYS H H 7.653 0.020 1 254 66 67 LYS C C 178.633 0.3 1 255 66 67 LYS CA C 58.640 0.3 1 256 66 67 LYS CB C 30.575 0.3 1 257 66 67 LYS N N 121.797 0.3 1 258 67 68 ALA H H 8.105 0.020 1 259 67 68 ALA C C 179.181 0.3 1 260 67 68 ALA CA C 54.510 0.3 1 261 67 68 ALA CB C 15.921 0.3 1 262 67 68 ALA N N 124.658 0.3 1 263 68 69 LYS H H 8.079 0.020 1 264 68 69 LYS C C 180.836 0.3 1 265 68 69 LYS CA C 58.587 0.3 1 266 68 69 LYS CB C 31.141 0.3 1 267 68 69 LYS N N 116.899 0.3 1 268 69 70 GLY H H 7.722 0.020 1 269 69 70 GLY C C 176.715 0.3 1 270 69 70 GLY CA C 46.516 0.3 1 271 69 70 GLY N N 109.339 0.3 1 272 70 71 ASN H H 8.401 0.020 1 273 70 71 ASN C C 176.669 0.3 1 274 70 71 ASN CA C 55.016 0.3 1 275 70 71 ASN CB C 37.682 0.3 1 276 70 71 ASN N N 125.172 0.3 1 277 71 72 GLU H H 8.771 0.020 1 278 71 72 GLU C C 178.838 0.3 1 279 71 72 GLU CA C 58.693 0.3 1 280 71 72 GLU CB C 28.940 0.3 1 281 71 72 GLU N N 123.766 0.3 1 282 72 73 GLN H H 6.887 0.020 1 283 72 73 GLN C C 178.439 0.3 1 284 72 73 GLN CA C 57.947 0.3 1 285 72 73 GLN CB C 26.990 0.3 1 286 72 73 GLN N N 115.328 0.3 1 287 73 74 SER H H 7.591 0.020 1 288 73 74 SER CA C 60.772 0.3 1 289 73 74 SER CB C 62.337 0.3 1 290 73 74 SER N N 116.734 0.3 1 291 74 75 PHE H H 8.920 0.020 1 292 74 75 PHE C C 178.496 0.3 1 293 74 75 PHE CA C 62.024 0.3 1 294 74 75 PHE CB C 37.808 0.3 1 295 74 75 PHE N N 120.110 0.3 1 296 75 76 ARG H H 7.770 0.020 1 297 75 76 ARG C C 180.071 0.3 1 298 75 76 ARG CA C 60.052 0.3 1 299 75 76 ARG CB C 29.506 0.3 1 300 75 76 ARG N N 119.643 0.3 1 301 76 77 VAL H H 7.010 0.020 1 302 76 77 VAL C C 178.073 0.3 1 303 76 77 VAL CA C 65.994 0.3 1 304 76 77 VAL CB C 30.072 0.3 1 305 76 77 VAL N N 120.953 0.3 1 306 77 78 ASP H H 8.156 0.020 1 307 77 78 ASP CA C 57.548 0.3 1 308 77 78 ASP CB C 40.324 0.3 1 309 77 78 ASP N N 122.139 0.3 1 310 78 79 LEU H H 8.027 0.020 1 311 78 79 LEU C C 179.957 0.3 1 312 78 79 LEU CA C 58.294 0.3 1 313 78 79 LEU CB C 41.393 0.3 1 314 78 79 LEU N N 119.408 0.3 1 315 79 80 ARG H H 6.966 0.020 1 316 79 80 ARG C C 179.706 0.3 1 317 79 80 ARG CA C 58.939 0.3 1 318 79 80 ARG CB C 28.751 0.3 1 319 79 80 ARG N N 119.828 0.3 1 320 80 81 THR H H 9.132 0.020 1 321 80 81 THR C C 177.331 0.3 1 322 80 81 THR CA C 64.875 0.3 1 323 80 81 THR CB C 67.180 0.3 1 324 80 81 THR N N 122.641 0.3 1 325 81 82 LEU H H 8.113 0.020 1 326 81 82 LEU C C 178.313 0.3 1 327 81 82 LEU CA C 58.187 0.3 1 328 81 82 LEU CB C 39.946 0.3 1 329 81 82 LEU N N 122.521 0.3 1 330 82 83 LEU H H 6.930 0.020 1 331 82 83 LEU C C 180.813 0.3 1 332 82 83 LEU CA C 57.814 0.3 1 333 82 83 LEU CB C 40.512 0.3 1 334 82 83 LEU N N 118.009 0.3 1 335 83 84 GLY H H 7.104 0.020 1 336 83 84 GLY C C 177.377 0.3 1 337 83 84 GLY CA C 46.250 0.3 1 338 83 84 GLY N N 103.977 0.3 1 339 84 85 TYR H H 8.140 0.020 1 340 84 85 TYR C C 178.981 0.3 1 341 84 85 TYR CA C 56.795 0.3 1 342 84 85 TYR CB C 36.203 0.3 1 343 84 85 TYR N N 122.922 0.3 1 344 85 86 TYR H H 7.847 0.020 1 345 85 86 TYR C C 174.968 0.3 1 346 85 86 TYR CA C 59.226 0.3 1 347 85 86 TYR CB C 37.682 0.3 1 348 85 86 TYR N N 113.640 0.3 1 349 86 87 ASN H H 7.776 0.020 1 350 86 87 ASN C C 174.988 0.3 1 351 86 87 ASN CA C 54.057 0.3 1 352 86 87 ASN CB C 36.676 0.3 1 353 86 87 ASN N N 120.953 0.3 1 354 87 88 GLN H H 8.612 0.020 1 355 87 88 GLN C C 176.235 0.3 1 356 87 88 GLN CA C 54.297 0.3 1 357 87 88 GLN CB C 30.198 0.3 1 358 87 88 GLN N N 118.336 0.3 1 359 88 89 SER H H 8.331 0.020 1 360 88 89 SER CA C 57.548 0.3 1 361 88 89 SER CB C 63.532 0.3 1 362 88 89 SER N N 115.890 0.3 1 363 91 92 GLY H H 7.732 0.020 1 364 91 92 GLY C C 172.342 0.3 1 365 91 92 GLY CA C 43.372 0.3 1 366 91 92 GLY N N 108.859 0.3 1 367 92 93 SER H H 7.926 0.020 1 368 92 93 SER C C 173.947 0.3 1 369 92 93 SER CA C 56.428 0.3 1 370 92 93 SER CB C 63.155 0.3 1 371 92 93 SER N N 115.328 0.3 1 372 93 94 HIS H H 8.234 0.020 1 373 93 94 HIS C C 173.084 0.3 1 374 93 94 HIS CA C 54.297 0.3 1 375 93 94 HIS CB C 32.776 0.3 1 376 93 94 HIS N N 125.172 0.3 1 377 94 95 THR H H 8.463 0.020 1 378 94 95 THR C C 174.466 0.3 1 379 94 95 THR CA C 60.905 0.3 1 380 94 95 THR CB C 72.211 0.3 1 381 94 95 THR N N 114.484 0.3 1 382 95 96 ILE H H 9.361 0.020 1 383 95 96 ILE C C 174.089 0.3 1 384 95 96 ILE CA C 60.185 0.3 1 385 95 96 ILE CB C 40.638 0.3 1 386 95 96 ILE N N 127.985 0.3 1 387 96 97 GLN H H 8.859 0.020 1 388 96 97 GLN C C 174.226 0.3 1 389 96 97 GLN CA C 53.417 0.3 1 390 96 97 GLN CB C 33.280 0.3 1 391 96 97 GLN N N 126.860 0.3 1 392 97 98 VAL H H 9.262 0.020 1 393 97 98 VAL C C 175.014 0.3 1 394 97 98 VAL CA C 59.653 0.3 1 395 97 98 VAL CB C 33.405 0.3 1 396 97 98 VAL N N 126.929 0.3 1 397 98 99 ILE H H 8.392 0.020 1 398 98 99 ILE C C 175.014 0.3 1 399 98 99 ILE CA C 59.919 0.3 1 400 98 99 ILE CB C 40.135 0.3 1 401 98 99 ILE N N 126.748 0.3 1 402 101 102 CYS H H 9.025 0.020 1 403 101 102 CYS CA C 53.044 0.3 1 404 101 102 CYS CB C 47.808 0.3 1 405 101 102 CYS N N 110.452 0.3 1 406 102 103 GLU H H 8.577 0.020 1 407 102 103 GLU C C 176.007 0.3 1 408 102 103 GLU CA C 53.897 0.3 1 409 102 103 GLU CB C 32.147 0.3 1 410 102 103 GLU N N 120.953 0.3 1 411 103 104 VAL H H 8.955 0.020 1 412 103 104 VAL C C 175.379 0.3 1 413 103 104 VAL CA C 59.306 0.3 1 414 103 104 VAL CB C 34.412 0.3 1 415 103 104 VAL N N 122.027 0.3 1 416 104 105 GLY H H 8.366 0.020 1 417 104 105 GLY C C 176.110 0.3 1 418 104 105 GLY CA C 43.665 0.3 1 419 104 105 GLY N N 109.702 0.3 1 420 106 107 ASP H H 7.948 0.020 1 421 106 107 ASP C C 177.160 0.3 1 422 106 107 ASP CA C 52.618 0.3 1 423 106 107 ASP CB C 39.569 0.3 1 424 106 107 ASP N N 119.139 0.3 1 425 107 108 GLY H H 8.014 0.020 1 426 107 108 GLY C C 173.358 0.3 1 427 107 108 GLY CA C 44.971 0.3 1 428 107 108 GLY N N 108.577 0.3 1 429 108 109 ARG H H 7.486 0.020 1 430 108 109 ARG C C 176.178 0.3 1 431 108 109 ARG CA C 54.587 0.3 1 432 108 109 ARG CB C 30.198 0.3 1 433 108 109 ARG N N 119.638 0.3 1 434 109 110 LEU H H 8.565 0.020 1 435 109 110 LEU C C 176.201 0.3 1 436 109 110 LEU CA C 56.482 0.3 1 437 109 110 LEU CB C 41.141 0.3 1 438 109 110 LEU N N 123.356 0.3 1 439 110 111 LEU H H 9.380 0.020 1 440 110 111 LEU CA C 55.363 0.3 1 441 110 111 LEU CB C 43.217 0.3 1 442 110 111 LEU N N 130.482 0.3 1 443 111 112 ARG H H 7.359 0.020 1 444 111 112 ARG CA C 55.283 0.3 1 445 111 112 ARG CB C 32.902 0.3 1 446 111 112 ARG N N 115.805 0.3 1 447 115 116 GLN H H 8.262 0.020 1 448 115 116 GLN CA C 54.883 0.3 1 449 115 116 GLN N N 119.144 0.3 1 450 116 117 TYR H H 9.704 0.020 1 451 116 117 TYR C C 175.973 0.3 1 452 116 117 TYR CA C 57.041 0.3 1 453 116 117 TYR CB C 42.840 0.3 1 454 116 117 TYR N N 125.735 0.3 1 455 117 118 ALA H H 9.686 0.020 1 456 117 118 ALA C C 175.585 0.3 1 457 117 118 ALA CA C 51.232 0.3 1 458 117 118 ALA CB C 22.084 0.3 1 459 117 118 ALA N N 126.860 0.3 1 460 118 119 TYR H H 9.052 0.020 1 461 118 119 TYR C C 175.904 0.3 1 462 118 119 TYR CA C 54.217 0.3 1 463 118 119 TYR CB C 39.632 0.3 1 464 118 119 TYR N N 123.204 0.3 1 465 119 120 ASP H H 9.713 0.020 1 466 119 120 ASP C C 176.110 0.3 1 467 119 120 ASP CA C 54.910 0.3 1 468 119 120 ASP CB C 37.682 0.3 1 469 119 120 ASP N N 130.798 0.3 1 470 120 121 GLY H H 9.052 0.020 1 471 120 121 GLY C C 174.420 0.3 1 472 120 121 GLY CA C 44.731 0.3 1 473 120 121 GLY N N 103.796 0.3 1 474 121 122 CYS H H 7.802 0.020 1 475 121 122 CYS C C 173.689 0.3 1 476 121 122 CYS CA C 56.961 0.3 1 477 121 122 CYS CB C 29.191 0.3 1 478 121 122 CYS N N 120.852 0.3 1 479 122 123 ASP H H 8.648 0.020 1 480 122 123 ASP C C 174.671 0.3 1 481 122 123 ASP CA C 56.588 0.3 1 482 122 123 ASP CB C 40.198 0.3 1 483 122 123 ASP N N 124.610 0.3 1 484 123 124 TYR H H 8.493 0.020 1 485 123 124 TYR CA C 60.159 0.3 1 486 123 124 TYR CB C 40.324 0.3 1 487 123 124 TYR N N 123.479 0.3 1 488 124 125 ILE H H 7.433 0.020 1 489 124 125 ILE C C 171.988 0.3 1 490 124 125 ILE CA C 59.786 0.3 1 491 124 125 ILE CB C 41.645 0.3 1 492 124 125 ILE N N 116.734 0.3 1 493 125 126 ALA H H 8.235 0.020 1 494 125 126 ALA CA C 50.939 0.3 1 495 125 126 ALA CB C 22.210 0.3 1 496 125 126 ALA N N 127.290 0.3 1 497 127 128 ASN H H 8.823 0.020 1 498 127 128 ASN CA C 52.778 0.3 1 499 127 128 ASN CB C 37.682 0.3 1 500 127 128 ASN N N 127.136 0.3 1 501 128 129 GLU H H 8.753 0.020 1 502 128 129 GLU C C 176.075 0.3 1 503 128 129 GLU CA C 58.453 0.3 1 504 128 129 GLU CB C 28.625 0.3 1 505 128 129 GLU N N 120.391 0.3 1 506 129 130 ASP H H 7.291 0.020 1 507 129 130 ASP CA C 53.790 0.3 1 508 129 130 ASP CB C 39.317 0.3 1 509 129 130 ASP N N 116.803 0.3 1 510 130 131 LEU H H 8.212 0.020 1 511 130 131 LEU CA C 55.816 0.3 1 512 130 131 LEU CB C 38.311 0.3 1 513 130 131 LEU N N 115.440 0.3 1 514 135 136 ALA H H 9.065 0.020 1 515 135 136 ALA C C 176.669 0.3 1 516 135 136 ALA CA C 49.873 0.3 1 517 135 136 ALA CB C 19.694 0.3 1 518 135 136 ALA N N 133.188 0.3 1 519 136 137 ALA H H 8.275 0.020 1 520 136 137 ALA C C 176.920 0.3 1 521 136 137 ALA CA C 54.057 0.3 1 522 136 137 ALA CB C 19.946 0.3 1 523 136 137 ALA N N 125.168 0.3 1 524 137 138 ASP H H 7.019 0.020 1 525 137 138 ASP C C 175.927 0.3 1 526 137 138 ASP CA C 52.218 0.3 1 527 137 138 ASP CB C 41.078 0.3 1 528 137 138 ASP N N 114.593 0.3 1 529 138 139 MET H H 7.899 0.020 1 530 138 139 MET C C 177.925 0.3 1 531 138 139 MET CA C 57.627 0.3 1 532 138 139 MET CB C 31.204 0.3 1 533 138 139 MET N N 115.609 0.3 1 534 139 140 ALA H H 7.609 0.020 1 535 139 140 ALA C C 177.971 0.3 1 536 139 140 ALA CA C 54.084 0.3 1 537 139 140 ALA CB C 17.178 0.3 1 538 139 140 ALA N N 126.016 0.3 1 539 140 141 ALA H H 7.979 0.020 1 540 140 141 ALA C C 179.386 0.3 1 541 140 141 ALA CA C 53.391 0.3 1 542 140 141 ALA CB C 18.877 0.3 1 543 140 141 ALA N N 118.422 0.3 1 544 141 142 LEU H H 7.178 0.020 1 545 141 142 LEU CA C 56.695 0.3 1 546 141 142 LEU CB C 40.827 0.3 1 547 141 142 LEU N N 118.141 0.3 1 548 143 144 THR H H 6.442 0.020 1 549 143 144 THR CA C 66.261 0.3 1 550 143 144 THR CB C 68.060 0.3 1 551 143 144 THR N N 118.100 0.3 1 552 151 152 GLY H H 7.614 0.020 1 553 151 152 GLY C C 176.486 0.3 1 554 151 152 GLY CA C 46.303 0.3 1 555 151 152 GLY N N 108.440 0.3 1 556 152 153 GLU H H 8.045 0.020 1 557 152 153 GLU CA C 57.574 0.3 1 558 152 153 GLU N N 120.832 0.3 1 559 161 162 GLU H H 8.295 0.020 1 560 161 162 GLU C C 177.069 0.3 1 561 161 162 GLU CA C 56.748 0.3 1 562 161 162 GLU CB C 30.198 0.3 1 563 161 162 GLU N N 110.042 0.3 1 564 162 163 GLY H H 7.229 0.020 1 565 162 163 GLY C C 172.365 0.3 1 566 162 163 GLY CA C 45.450 0.3 1 567 162 163 GLY N N 108.471 0.3 1 568 163 164 THR H H 7.810 0.020 1 569 163 164 THR CA C 66.447 0.3 1 570 163 164 THR CB C 69.381 0.3 1 571 163 164 THR N N 124.574 0.3 1 572 166 167 GLU H H 8.194 0.020 1 573 166 167 GLU C C 180.003 0.3 1 574 166 167 GLU CA C 58.613 0.3 1 575 166 167 GLU CB C 28.688 0.3 1 576 166 167 GLU N N 120.094 0.3 1 577 167 168 TRP H H 8.614 0.020 1 578 167 168 TRP C C 176.041 0.3 1 579 167 168 TRP CA C 61.198 0.3 1 580 167 168 TRP CB C 25.481 0.3 1 581 167 168 TRP N N 119.876 0.3 1 582 168 169 LEU H H 8.177 0.020 1 583 168 169 LEU C C 177.834 0.3 1 584 168 169 LEU CA C 58.720 0.3 1 585 168 169 LEU CB C 39.255 0.3 1 586 168 169 LEU N N 121.993 0.3 1 587 169 170 ARG H H 7.468 0.020 1 588 169 170 ARG C C 178.998 0.3 1 589 169 170 ARG CA C 59.706 0.3 1 590 169 170 ARG CB C 28.814 0.3 1 591 169 170 ARG N N 116.036 0.3 1 592 170 171 ARG H H 6.873 0.020 1 593 170 171 ARG C C 178.165 0.3 1 594 170 171 ARG CA C 58.640 0.3 1 595 170 171 ARG CB C 28.562 0.3 1 596 170 171 ARG N N 121.365 0.3 1 597 171 172 TYR H H 8.696 0.020 1 598 171 172 TYR C C 179.283 0.3 1 599 171 172 TYR CA C 58.000 0.3 1 600 171 172 TYR CB C 36.550 0.3 1 601 171 172 TYR N N 120.953 0.3 1 602 172 173 LEU H H 8.340 0.020 1 603 172 173 LEU C C 179.500 0.3 1 604 172 173 LEU CA C 56.775 0.3 1 605 172 173 LEU CB C 40.324 0.3 1 606 172 173 LEU N N 119.547 0.3 1 607 173 174 LYS H H 7.310 0.020 1 608 173 174 LYS C C 179.569 0.3 1 609 173 174 LYS CA C 58.667 0.3 1 610 173 174 LYS CB C 30.701 0.3 1 611 173 174 LYS N N 120.672 0.3 1 612 174 175 ASN H H 8.181 0.020 1 613 174 175 ASN C C 177.491 0.3 1 614 174 175 ASN CA C 54.696 0.3 1 615 174 175 ASN CB C 37.053 0.3 1 616 174 175 ASN N N 120.110 0.3 1 617 175 176 GLY H H 7.583 0.020 1 618 175 176 GLY C C 174.386 0.3 1 619 175 176 GLY CA C 44.358 0.3 1 620 175 176 GLY N N 107.733 0.3 1 621 176 177 ASN H H 7.327 0.020 1 622 176 177 ASN C C 175.402 0.3 1 623 176 177 ASN CA C 54.030 0.3 1 624 176 177 ASN CB C 38.437 0.3 1 625 176 177 ASN N N 119.547 0.3 1 626 177 178 ALA H H 7.907 0.020 1 627 177 178 ALA C C 178.359 0.3 1 628 177 178 ALA CA C 53.151 0.3 1 629 177 178 ALA CB C 18.311 0.3 1 630 177 178 ALA N N 123.284 0.3 1 631 178 179 THR H H 7.811 0.020 1 632 178 179 THR C C 174.774 0.3 1 633 178 179 THR CA C 62.424 0.3 1 634 178 179 THR CB C 69.192 0.3 1 635 178 179 THR N N 112.796 0.3 1 636 179 180 LEU H H 7.873 0.020 1 637 179 180 LEU C C 177.183 0.3 1 638 179 180 LEU CA C 55.069 0.3 1 639 179 180 LEU CB C 41.330 0.3 1 640 179 180 LEU N N 124.610 0.3 1 641 180 181 LEU H H 7.897 0.020 1 642 180 181 LEU C C 177.080 0.3 1 643 180 181 LEU CA C 54.590 0.3 1 644 180 181 LEU CB C 41.141 0.3 1 645 180 181 LEU N N 122.540 0.3 1 646 181 182 ARG H H 8.067 0.020 1 647 181 182 ARG C C 176.498 0.3 1 648 181 182 ARG CA C 55.549 0.3 1 649 181 182 ARG CB C 29.946 0.3 1 650 181 182 ARG N N 122.641 0.3 1 651 182 183 THR H H 8.148 0.020 1 652 182 183 THR C C 174.237 0.3 1 653 182 183 THR CA C 61.305 0.3 1 654 182 183 THR CB C 69.318 0.3 1 655 182 183 THR N N 115.795 0.3 1 656 183 184 ASP H H 8.269 0.020 1 657 183 184 ASP C C 175.699 0.3 1 658 183 184 ASP CA C 53.817 0.3 1 659 183 184 ASP CB C 40.638 0.3 1 660 183 184 ASP N N 123.204 0.3 1 661 184 185 SER H H 8.027 0.020 1 662 184 185 SER C C 171.760 0.3 1 663 184 185 SER CA C 55.869 0.3 1 664 184 185 SER CB C 62.966 0.3 1 665 184 185 SER N N 117.972 0.3 1 stop_ save_