data_19267 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment of Outer Envelope Protein 16kDa ; _BMRB_accession_number 19267 _BMRB_flat_file_name bmr19267.str _Entry_type original _Submission_date 2013-05-26 _Accession_date 2013-05-26 _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 Zook James D. . 2 Molugu Trivikram R. . 3 Jacobsen Neil E. . 4 Lin Guangxin . . 5 Brown Michael F. . 6 Fromme Petra . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 271 "13C chemical shifts" 443 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-13 original author . stop_ _Original_release_date 2014-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'High-resolution NMR reveals secondary structure and folding of amino acid transporter from outer chloroplast membrane.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24205117 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zook James D. . 2 Molugu Trivikram R. . 3 Jacobsen Neil E. . 4 Lin Guangxin . . 5 Soll Jurgen . . 6 Cherry Brian R. . 7 Brown Michael F. . 8 Fromme Petra . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 8 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e78116 _Page_last e78116 _Year 2013 _Details . loop_ _Keyword 'Chemical Shift Assignment' 'Membrane Proteins' NMR 'Secondary Structure Assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name OEP16 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OEP16 $OEP16 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_OEP16 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OEP16 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Functions as an amino acid passive transporter across the outer chloroplast membrane' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; MPRSSFSGSLSSPKLDVVID MGNPFLNLTVDGFLKIGAVA ATRSVAEDTFHIIRKGSISS NDFEKSLKKMCKEGAYWGAI AGVYVGMEYGVERIRGTRDW KNAMFGGAVTGALVSAASNN KKDKIAVDAITGAAIATAAE FINYLTLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 PRO 3 3 ARG 4 4 SER 5 5 SER 6 6 PHE 7 7 SER 8 8 GLY 9 9 SER 10 10 LEU 11 11 SER 12 12 SER 13 13 PRO 14 14 LYS 15 15 LEU 16 16 ASP 17 17 VAL 18 18 VAL 19 19 ILE 20 20 ASP 21 21 MET 22 22 GLY 23 23 ASN 24 24 PRO 25 25 PHE 26 26 LEU 27 27 ASN 28 28 LEU 29 29 THR 30 30 VAL 31 31 ASP 32 32 GLY 33 33 PHE 34 34 LEU 35 35 LYS 36 36 ILE 37 37 GLY 38 38 ALA 39 39 VAL 40 40 ALA 41 41 ALA 42 42 THR 43 43 ARG 44 44 SER 45 45 VAL 46 46 ALA 47 47 GLU 48 48 ASP 49 49 THR 50 50 PHE 51 51 HIS 52 52 ILE 53 53 ILE 54 54 ARG 55 55 LYS 56 56 GLY 57 57 SER 58 58 ILE 59 59 SER 60 60 SER 61 61 ASN 62 62 ASP 63 63 PHE 64 64 GLU 65 65 LYS 66 66 SER 67 67 LEU 68 68 LYS 69 69 LYS 70 70 MET 71 71 CYS 72 72 LYS 73 73 GLU 74 74 GLY 75 75 ALA 76 76 TYR 77 77 TRP 78 78 GLY 79 79 ALA 80 80 ILE 81 81 ALA 82 82 GLY 83 83 VAL 84 84 TYR 85 85 VAL 86 86 GLY 87 87 MET 88 88 GLU 89 89 TYR 90 90 GLY 91 91 VAL 92 92 GLU 93 93 ARG 94 94 ILE 95 95 ARG 96 96 GLY 97 97 THR 98 98 ARG 99 99 ASP 100 100 TRP 101 101 LYS 102 102 ASN 103 103 ALA 104 104 MET 105 105 PHE 106 106 GLY 107 107 GLY 108 108 ALA 109 109 VAL 110 110 THR 111 111 GLY 112 112 ALA 113 113 LEU 114 114 VAL 115 115 SER 116 116 ALA 117 117 ALA 118 118 SER 119 119 ASN 120 120 ASN 121 121 LYS 122 122 LYS 123 123 ASP 124 124 LYS 125 125 ILE 126 126 ALA 127 127 VAL 128 128 ASP 129 129 ALA 130 130 ILE 131 131 THR 132 132 GLY 133 133 ALA 134 134 ALA 135 135 ILE 136 136 ALA 137 137 THR 138 138 ALA 139 139 ALA 140 140 GLU 141 141 PHE 142 142 ILE 143 143 ASN 144 144 TYR 145 145 LEU 146 146 THR 147 147 LEU 148 148 GLU 149 149 HIS 150 150 HIS 151 151 HIS 152 152 HIS 153 153 HIS 154 154 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value EMBL CAA97910 "core protein [Pisum sativum]" 94.81 146 100.00 100.00 2.70e-100 SP Q41050 "RecName: Full=Outer envelope pore protein 16, chloroplastic; AltName: Full=Chloroplastic outer envelope pore protein of 16 kDa " 94.81 146 100.00 100.00 2.70e-100 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $OEP16 Eudicots 3888 Eukaryota Viridiplantae Pisum sativum 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 $OEP16 'recombinant technology' . Escherichia coli BL21(DE3) pETbPrp stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '0.4% SDS to maintain membrane protein solubility, 10% glycerol for protein stability' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' beta-mercaptoethanol 1 mM 'natural abundance' glycerol 10 v/v 'natural abundance' SDS 0.4 w/v 'natural abundance' 'sodium azide' 0.02 w/v 'natural abundance' $OEP16 1.5 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details '0.4% SDS to maintain membrane protein solubility, 10% glycerol for protein stability' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' beta-mercaptoethanol 1 mM 'natural abundance' glycerol 10 v/v 'natural abundance' SDS 0.4 w/v 'natural abundance' 'sodium azide' 0.02 w/v 'natural abundance' $OEP16 1.0 mM '[U-99% 13C; U-99% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.14 . M pH 6.5 . pH pressure 1 . atm temperature 310 . 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 4.658 internal indirect . . . 0.251 water H 1 protons ppm 4.658 internal direct . . . 1.0 water N 15 protons ppm 4.658 internal indirect . . . 0.101 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name OEP16 _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 2 2 PRO C C 176.034 0.000 1 2 2 2 PRO CA C 63.866 0.117 1 3 2 2 PRO CB C 31.476 0.000 1 4 3 3 ARG H H 8.073 0.002 1 5 3 3 ARG HA H 4.338 0.000 1 6 3 3 ARG C C 176.197 0.122 1 7 3 3 ARG CA C 56.572 0.412 1 8 3 3 ARG CB C 30.099 0.085 1 9 3 3 ARG N N 117.015 0.068 1 10 4 4 SER H H 8.163 0.002 1 11 4 4 SER HA H 4.439 0.000 1 12 4 4 SER C C 174.438 0.014 1 13 4 4 SER CA C 58.419 0.118 1 14 4 4 SER CB C 63.881 0.003 1 15 4 4 SER N N 114.964 0.052 1 16 5 5 SER H H 8.018 0.004 1 17 5 5 SER HA H 4.427 0.000 1 18 5 5 SER C C 174.289 0.003 1 19 5 5 SER CA C 58.413 0.124 1 20 5 5 SER CB C 63.737 0.024 1 21 5 5 SER N N 115.846 0.058 1 22 6 6 PHE H H 8.090 0.003 1 23 6 6 PHE C C 176.197 0.003 1 24 6 6 PHE CA C 58.077 0.140 1 25 6 6 PHE CB C 39.099 0.025 1 26 6 6 PHE N N 121.190 0.061 1 27 7 7 SER H H 8.101 0.002 1 28 7 7 SER HA H 4.338 0.000 1 29 7 7 SER C C 175.284 0.040 1 30 7 7 SER CA C 58.879 0.102 1 31 7 7 SER CB C 63.687 0.020 1 32 7 7 SER N N 116.458 0.061 1 33 8 8 GLY H H 7.745 0.003 1 34 8 8 GLY C C 174.245 0.002 1 35 8 8 GLY CA C 45.419 0.060 1 36 8 8 GLY N N 110.345 0.076 1 37 9 9 SER H H 7.960 0.002 1 38 9 9 SER HA H 4.489 0.000 1 39 9 9 SER C C 174.268 0.007 1 40 9 9 SER CA C 58.719 0.082 1 41 9 9 SER CB C 64.091 0.017 1 42 9 9 SER N N 114.970 0.060 1 43 10 10 LEU H H 8.022 0.003 1 44 10 10 LEU HA H 4.380 0.000 1 45 10 10 LEU C C 176.503 0.003 1 46 10 10 LEU CA C 55.084 0.104 1 47 10 10 LEU CB C 41.483 0.125 1 48 10 10 LEU N N 122.072 0.062 1 49 11 11 SER H H 7.913 0.004 1 50 11 11 SER HA H 4.499 0.000 1 51 11 11 SER C C 173.930 0.002 1 52 11 11 SER CA C 57.780 0.130 1 53 11 11 SER CB C 63.956 0.011 1 54 11 11 SER N N 114.490 0.054 1 55 12 12 SER H H 8.025 0.005 1 56 12 12 SER HA H 4.753 0.000 1 57 12 12 SER C C 173.264 0.000 1 58 12 12 SER CA C 55.988 0.000 1 59 12 12 SER CB C 63.861 0.000 1 60 12 12 SER N N 117.139 0.056 1 61 13 13 PRO C C 177.334 0.002 1 62 13 13 PRO CA C 63.639 0.157 1 63 13 13 PRO CB C 31.624 0.011 1 64 14 14 LYS H H 8.016 0.001 1 65 14 14 LYS HA H 4.267 0.000 1 66 14 14 LYS C C 176.842 0.008 1 67 14 14 LYS CA C 56.871 0.136 1 68 14 14 LYS CB C 32.226 0.114 1 69 14 14 LYS N N 118.451 0.071 1 70 15 15 LEU H H 7.722 0.002 1 71 15 15 LEU HA H 4.215 0.000 1 72 15 15 LEU C C 177.216 0.005 1 73 15 15 LEU CA C 55.697 0.097 1 74 15 15 LEU CB C 41.587 0.104 1 75 15 15 LEU N N 119.332 0.068 1 76 16 16 ASP H H 8.092 0.003 1 77 16 16 ASP HA H 4.444 0.000 1 78 16 16 ASP C C 176.909 0.007 1 79 16 16 ASP CA C 55.671 0.093 1 80 16 16 ASP CB C 40.135 0.036 1 81 16 16 ASP N N 119.117 0.070 1 82 17 17 VAL H H 7.462 0.004 1 83 17 17 VAL HA H 4.022 0.000 1 84 17 17 VAL C C 176.445 0.001 1 85 17 17 VAL CA C 63.261 0.147 1 86 17 17 VAL CB C 32.192 0.116 1 87 17 17 VAL N N 117.225 0.056 1 88 18 18 VAL H H 7.639 0.005 1 89 18 18 VAL HA H 3.999 0.000 1 90 18 18 VAL C C 176.549 0.010 1 91 18 18 VAL CA C 63.515 0.200 1 92 18 18 VAL CB C 31.983 0.108 1 93 18 18 VAL N N 119.861 0.067 1 94 19 19 ILE H H 7.963 0.004 1 95 19 19 ILE HA H 3.986 0.000 1 96 19 19 ILE C C 176.458 0.015 1 97 19 19 ILE CA C 62.002 0.167 1 98 19 19 ILE CB C 37.962 0.146 1 99 19 19 ILE N N 120.947 0.069 1 100 20 20 ASP H H 8.025 0.003 1 101 20 20 ASP HA H 4.615 0.000 1 102 20 20 ASP C C 176.740 0.008 1 103 20 20 ASP CA C 54.615 0.108 1 104 20 20 ASP CB C 40.929 0.052 1 105 20 20 ASP N N 121.744 0.083 1 106 21 21 MET H H 8.004 0.005 1 107 21 21 MET HA H 4.319 0.000 1 108 21 21 MET C C 176.781 0.003 1 109 21 21 MET CA C 56.445 0.115 1 110 21 21 MET CB C 32.620 0.081 1 111 21 21 MET N N 119.561 0.064 1 112 22 22 GLY H H 8.091 0.003 1 113 22 22 GLY HA2 H 3.939 0.000 1 114 22 22 GLY HA3 H 3.846 0.000 1 115 22 22 GLY C C 173.049 0.002 1 116 22 22 GLY CA C 45.028 0.093 1 117 22 22 GLY N N 107.287 0.060 1 118 23 23 ASN H H 7.968 0.002 1 119 23 23 ASN HA H 4.855 0.000 1 120 23 23 ASN C C 174.293 0.000 1 121 23 23 ASN CA C 51.697 0.000 1 122 23 23 ASN CB C 38.937 0.000 1 123 23 23 ASN N N 117.585 0.061 1 124 24 24 PRO C C 177.332 0.007 1 125 24 24 PRO CA C 63.910 0.071 1 126 24 24 PRO CB C 31.309 0.120 1 127 25 25 PHE H H 7.972 0.002 1 128 25 25 PHE HA H 4.497 0.004 1 129 25 25 PHE C C 176.553 0.009 1 130 25 25 PHE CA C 58.725 0.122 1 131 25 25 PHE CB C 38.366 0.126 1 132 25 25 PHE N N 116.844 0.069 1 133 26 26 LEU H H 7.552 0.007 1 134 26 26 LEU HA H 4.183 0.001 1 135 26 26 LEU C C 177.574 0.005 1 136 26 26 LEU CA C 56.292 0.074 1 137 26 26 LEU CB C 41.528 0.083 1 138 26 26 LEU N N 119.173 0.061 1 139 27 27 ASN H H 8.071 0.003 1 140 27 27 ASN HA H 4.700 0.005 1 141 27 27 ASN C C 175.206 0.065 1 142 27 27 ASN CA C 53.795 0.074 1 143 27 27 ASN CB C 38.912 0.058 1 144 27 27 ASN N N 115.860 0.057 1 145 28 28 LEU H H 7.638 0.005 1 146 28 28 LEU HA H 4.380 0.002 1 147 28 28 LEU C C 176.664 0.002 1 148 28 28 LEU CA C 55.591 0.108 1 149 28 28 LEU CB C 42.207 0.105 1 150 28 28 LEU N N 120.585 0.063 1 151 29 29 THR H H 7.844 0.003 1 152 29 29 THR HA H 4.502 0.008 1 153 29 29 THR C C 175.037 0.007 1 154 29 29 THR CA C 61.379 0.118 1 155 29 29 THR CB C 70.452 0.077 1 156 29 29 THR N N 112.766 0.060 1 157 30 30 VAL H H 8.112 0.003 1 158 30 30 VAL HA H 3.973 0.007 1 159 30 30 VAL C C 176.445 0.004 1 160 30 30 VAL CA C 64.173 0.129 1 161 30 30 VAL CB C 31.638 0.155 1 162 30 30 VAL N N 120.308 0.061 1 163 31 31 ASP H H 8.135 0.002 1 164 31 31 ASP HA H 4.479 0.002 1 165 31 31 ASP C C 177.742 0.005 1 166 31 31 ASP CA C 55.856 0.139 1 167 31 31 ASP CB C 40.610 0.074 1 168 31 31 ASP N N 119.678 0.087 1 169 32 32 GLY H H 8.113 0.003 1 170 32 32 GLY HA2 H 3.891 0.000 1 171 32 32 GLY HA3 H 3.891 0.000 1 172 32 32 GLY C C 174.912 0.001 1 173 32 32 GLY CA C 46.289 0.091 1 174 32 32 GLY N N 107.874 0.074 1 175 33 33 PHE H H 8.027 0.004 1 176 33 33 PHE HA H 4.399 0.001 1 177 33 33 PHE C C 176.913 0.000 1 178 33 33 PHE CA C 59.912 0.202 1 179 33 33 PHE CB C 38.919 0.093 1 180 33 33 PHE N N 119.932 0.066 1 181 34 34 LEU H H 8.028 0.002 1 182 34 34 LEU C C 178.578 0.009 1 183 34 34 LEU CA C 56.730 0.145 1 184 34 34 LEU CB C 40.920 0.096 1 185 34 34 LEU N N 118.461 0.023 1 186 35 35 LYS H H 7.825 0.003 1 187 35 35 LYS HA H 4.185 0.004 1 188 35 35 LYS C C 178.009 0.006 1 189 35 35 LYS CA C 57.870 0.152 1 190 35 35 LYS CB C 31.782 0.124 1 191 35 35 LYS N N 118.976 0.062 1 192 36 36 ILE H H 7.740 0.004 1 193 36 36 ILE HA H 3.870 0.002 1 194 36 36 ILE C C 177.626 0.002 1 195 36 36 ILE CA C 63.316 0.139 1 196 36 36 ILE CB C 37.403 0.196 1 197 36 36 ILE N N 118.411 0.083 1 198 37 37 GLY H H 8.320 0.002 1 199 37 37 GLY C C 175.076 0.006 1 200 37 37 GLY CA C 46.632 0.084 1 201 37 37 GLY N N 108.581 0.113 1 202 38 38 ALA H H 7.940 0.003 1 203 38 38 ALA HA H 4.197 0.005 1 204 38 38 ALA C C 179.864 0.013 1 205 38 38 ALA CA C 54.290 0.147 1 206 38 38 ALA CB C 18.295 0.052 1 207 38 38 ALA N N 122.642 0.068 1 208 39 39 VAL H H 7.789 0.005 1 209 39 39 VAL HA H 3.798 0.003 1 210 39 39 VAL C C 177.853 0.018 1 211 39 39 VAL CA C 65.006 0.112 1 212 39 39 VAL CB C 31.353 0.141 1 213 39 39 VAL N N 118.034 0.084 1 214 40 40 ALA H H 8.191 0.003 1 215 40 40 ALA HA H 4.082 0.000 1 216 40 40 ALA C C 179.172 0.006 1 217 40 40 ALA CA C 54.408 0.160 1 218 40 40 ALA CB C 17.991 0.118 1 219 40 40 ALA N N 122.715 0.088 1 220 41 41 ALA H H 8.047 0.005 1 221 41 41 ALA HA H 4.219 0.002 1 222 41 41 ALA C C 179.155 0.001 1 223 41 41 ALA CA C 53.963 0.106 1 224 41 41 ALA CB C 18.352 0.058 1 225 41 41 ALA N N 118.829 0.086 1 226 42 42 THR H H 7.772 0.005 1 227 42 42 THR HA H 4.191 0.008 1 228 42 42 THR C C 175.560 0.002 1 229 42 42 THR CA C 63.513 0.051 1 230 42 42 THR CB C 69.297 0.142 1 231 42 42 THR N N 110.663 0.079 1 232 43 43 ARG H H 7.933 0.004 1 233 43 43 ARG HA H 4.242 0.000 1 234 43 43 ARG C C 176.729 0.019 1 235 43 43 ARG CA C 56.998 0.170 1 236 43 43 ARG CB C 29.832 0.202 1 237 43 43 ARG N N 120.931 0.084 1 238 44 44 SER H H 8.016 0.002 1 239 44 44 SER HA H 4.460 0.000 1 240 44 44 SER C C 175.068 0.011 1 241 44 44 SER CA C 59.203 0.109 1 242 44 44 SER CB C 63.588 0.026 1 243 44 44 SER N N 114.543 0.069 1 244 45 45 VAL H H 7.783 0.003 1 245 45 45 VAL HA H 4.123 0.000 1 246 45 45 VAL C C 176.544 0.009 1 247 45 45 VAL CA C 62.706 0.135 1 248 45 45 VAL CB C 31.797 0.163 1 249 45 45 VAL N N 119.586 0.070 1 250 46 46 ALA H H 8.084 0.004 1 251 46 46 ALA HA H 4.254 0.000 1 252 46 46 ALA C C 177.981 0.006 1 253 46 46 ALA CA C 52.899 0.126 1 254 46 46 ALA CB C 18.803 0.037 1 255 46 46 ALA N N 125.299 0.087 1 256 47 47 GLU H H 8.238 0.003 1 257 47 47 GLU C C 176.796 0.001 1 258 47 47 GLU CA C 57.402 0.119 1 259 47 47 GLU CB C 29.349 0.026 1 260 47 47 GLU N N 118.755 0.012 1 261 48 48 ASP H H 8.247 0.002 1 262 48 48 ASP HA H 4.611 0.000 1 263 48 48 ASP C C 176.456 0.006 1 264 48 48 ASP CA C 54.688 0.100 1 265 48 48 ASP CB C 40.654 0.039 1 266 48 48 ASP N N 118.874 0.078 1 267 49 49 THR H H 7.852 0.001 1 268 49 49 THR HA H 4.119 0.000 1 269 49 49 THR C C 174.344 0.004 1 270 49 49 THR CA C 63.191 0.110 1 271 49 49 THR CB C 69.443 0.124 1 272 49 49 THR N N 114.043 0.083 1 273 50 50 PHE H H 8.101 0.002 1 274 50 50 PHE HA H 4.472 0.000 1 275 50 50 PHE C C 175.294 0.008 1 276 50 50 PHE CA C 58.324 0.157 1 277 50 50 PHE CB C 38.958 0.111 1 278 50 50 PHE N N 120.576 0.072 1 279 51 51 HIS H H 7.906 0.002 1 280 51 51 HIS HA H 4.620 0.000 1 281 51 51 HIS C C 174.437 0.014 1 282 51 51 HIS CA C 55.770 0.099 1 283 51 51 HIS CB C 28.943 0.068 1 284 51 51 HIS N N 118.285 0.061 1 285 52 52 ILE H H 7.953 0.003 1 286 52 52 ILE HA H 3.981 0.000 1 287 52 52 ILE C C 175.915 0.003 1 288 52 52 ILE CA C 62.371 0.145 1 289 52 52 ILE CB C 38.276 0.020 1 290 52 52 ILE N N 119.426 0.076 1 291 53 53 ILE H H 7.702 0.003 1 292 53 53 ILE HA H 4.082 0.000 1 293 53 53 ILE C C 176.086 0.010 1 294 53 53 ILE CA C 61.499 0.127 1 295 53 53 ILE CB C 37.807 0.076 1 296 53 53 ILE N N 119.559 0.069 1 297 54 54 ARG H H 7.891 0.003 1 298 54 54 ARG HA H 4.316 0.000 1 299 54 54 ARG C C 176.556 0.001 1 300 54 54 ARG CA C 55.878 0.143 1 301 54 54 ARG CB C 29.788 0.119 1 302 54 54 ARG N N 121.116 0.071 1 303 55 55 LYS H H 7.984 0.003 1 304 55 55 LYS HA H 4.223 0.000 1 305 55 55 LYS C C 177.320 0.004 1 306 55 55 LYS CA C 56.874 0.106 1 307 55 55 LYS CB C 32.308 0.082 1 308 55 55 LYS N N 120.534 0.068 1 309 56 56 GLY H H 8.217 0.001 1 310 56 56 GLY C C 174.270 0.001 1 311 56 56 GLY CA C 45.293 0.061 1 312 56 56 GLY N N 108.867 0.066 1 313 57 57 SER H H 8.009 0.002 1 314 57 57 SER HA H 4.469 0.000 1 315 57 57 SER C C 174.708 0.006 1 316 57 57 SER CA C 58.571 0.122 1 317 57 57 SER CB C 63.961 0.024 1 318 57 57 SER N N 114.894 0.067 1 319 58 58 ILE H H 8.008 0.002 1 320 58 58 ILE HA H 4.184 0.000 1 321 58 58 ILE C C 176.182 0.002 1 322 58 58 ILE CA C 61.624 0.151 1 323 58 58 ILE CB C 38.003 0.137 1 324 58 58 ILE N N 121.139 0.059 1 325 59 59 SER H H 8.173 0.003 1 326 59 59 SER HA H 4.533 0.000 1 327 59 59 SER C C 174.785 0.003 1 328 59 59 SER CA C 57.958 0.132 1 329 59 59 SER CB C 64.112 0.015 1 330 59 59 SER N N 117.356 0.089 1 331 60 60 SER H H 8.167 0.002 1 332 60 60 SER HA H 4.401 0.000 1 333 60 60 SER C C 174.485 0.002 1 334 60 60 SER CA C 58.625 0.125 1 335 60 60 SER CB C 63.604 0.034 1 336 60 60 SER N N 117.180 0.076 1 337 61 61 ASN H H 8.169 0.003 1 338 61 61 ASN HA H 4.652 0.000 1 339 61 61 ASN C C 174.880 0.003 1 340 61 61 ASN CA C 53.581 0.079 1 341 61 61 ASN CB C 39.064 0.050 1 342 61 61 ASN N N 119.977 0.064 1 343 62 62 ASP H H 8.126 0.002 1 344 62 62 ASP HA H 4.588 0.000 1 345 62 62 ASP C C 176.367 0.008 1 346 62 62 ASP CA C 54.689 0.127 1 347 62 62 ASP CB C 40.734 0.046 1 348 62 62 ASP N N 119.860 0.078 1 349 63 63 PHE H H 8.056 0.003 1 350 63 63 PHE HA H 4.529 0.000 1 351 63 63 PHE C C 176.308 0.012 1 352 63 63 PHE CA C 58.530 0.149 1 353 63 63 PHE CB C 38.923 0.038 1 354 63 63 PHE N N 120.464 0.061 1 355 64 64 GLU H H 8.286 0.001 1 356 64 64 GLU HA H 4.056 0.000 1 357 64 64 GLU C C 176.904 0.010 1 358 64 64 GLU CA C 57.702 0.133 1 359 64 64 GLU CB C 29.173 0.104 1 360 64 64 GLU N N 120.914 0.081 1 361 65 65 LYS H H 7.865 0.003 1 362 65 65 LYS HA H 4.194 0.000 1 363 65 65 LYS C C 177.009 0.006 1 364 65 65 LYS CA C 57.010 0.127 1 365 65 65 LYS CB C 32.243 0.058 1 366 65 65 LYS N N 119.472 0.105 1 367 66 66 SER H H 7.913 0.004 1 368 66 66 SER HA H 4.434 0.000 1 369 66 66 SER C C 175.257 0.028 1 370 66 66 SER CA C 59.014 0.022 1 371 66 66 SER CB C 63.687 0.071 1 372 66 66 SER N N 115.262 0.076 1 373 67 67 LEU H H 8.289 0.001 1 374 67 67 LEU C C 178.515 0.000 1 375 67 67 LEU CA C 57.199 0.029 1 376 67 67 LEU CB C 41.243 0.237 1 377 67 67 LEU N N 123.639 0.111 1 378 68 68 LYS H H 7.961 0.002 1 379 68 68 LYS C C 177.901 0.012 1 380 68 68 LYS CA C 58.950 0.072 1 381 68 68 LYS CB C 31.826 0.110 1 382 68 68 LYS N N 117.514 0.016 1 383 69 69 LYS H H 7.646 0.005 1 384 69 69 LYS HA H 4.092 0.000 1 385 69 69 LYS C C 177.772 0.007 1 386 69 69 LYS CA C 57.990 0.071 1 387 69 69 LYS CB C 32.055 0.138 1 388 69 69 LYS N N 118.282 0.078 1 389 70 70 MET H H 7.907 0.004 1 390 70 70 MET HA H 4.257 0.000 1 391 70 70 MET C C 177.351 0.017 1 392 70 70 MET CA C 57.394 0.000 1 393 70 70 MET CB C 32.752 0.165 1 394 70 70 MET N N 117.735 0.088 1 395 71 71 CYS H H 7.933 0.002 1 396 71 71 CYS C C 175.510 0.000 1 397 71 71 CYS CA C 60.952 0.041 1 398 71 71 CYS CB C 27.469 0.044 1 399 71 71 CYS N N 116.638 0.056 1 400 72 72 LYS H H 7.957 0.011 1 401 72 72 LYS C C 177.016 0.021 1 402 72 72 LYS CA C 57.011 0.083 1 403 72 72 LYS CB C 31.994 0.079 1 404 72 72 LYS N N 120.286 0.155 1 405 73 73 GLU H H 8.138 0.004 1 406 73 73 GLU HA H 4.260 0.000 1 407 73 73 GLU C C 177.179 0.003 1 408 73 73 GLU CA C 56.473 0.015 1 409 73 73 GLU CB C 29.167 0.124 1 410 73 73 GLU N N 118.094 0.089 1 411 74 74 GLY H H 8.063 0.002 1 412 74 74 GLY C C 174.636 0.003 1 413 74 74 GLY CA C 45.555 0.063 1 414 74 74 GLY N N 108.447 0.092 1 415 75 75 ALA H H 8.035 0.002 1 416 75 75 ALA HA H 4.145 0.000 1 417 75 75 ALA C C 178.607 0.000 1 418 75 75 ALA CA C 53.216 0.162 1 419 75 75 ALA CB C 18.344 0.161 1 420 75 75 ALA N N 122.781 0.074 1 421 76 76 TYR H H 7.876 0.006 1 422 76 76 TYR C C 176.731 0.022 1 423 76 76 TYR CA C 58.740 0.000 1 424 76 76 TYR CB C 37.746 0.041 1 425 76 76 TYR N N 116.793 0.074 1 426 77 77 TRP H H 7.761 0.002 1 427 77 77 TRP C C 177.719 0.005 1 428 77 77 TRP CA C 59.273 0.017 1 429 77 77 TRP CB C 29.175 0.096 1 430 77 77 TRP N N 119.923 0.034 1 431 78 78 GLY H H 8.168 0.002 1 432 78 78 GLY C C 175.959 0.006 1 433 78 78 GLY CA C 46.494 0.099 1 434 78 78 GLY N N 105.386 0.087 1 435 79 79 ALA H H 7.685 0.004 1 436 79 79 ALA HA H 4.246 0.000 1 437 79 79 ALA C C 179.410 0.000 1 438 79 79 ALA CA C 54.014 0.086 1 439 79 79 ALA CB C 18.238 0.093 1 440 79 79 ALA N N 123.424 0.076 1 441 80 80 ILE H H 7.745 0.004 1 442 80 80 ILE HA H 3.807 0.000 1 443 80 80 ILE C C 177.113 0.002 1 444 80 80 ILE CA C 63.501 0.186 1 445 80 80 ILE CB C 37.507 0.000 1 446 80 80 ILE N N 117.052 0.092 1 447 81 81 ALA H H 8.191 0.004 1 448 81 81 ALA C C 179.333 0.000 1 449 81 81 ALA CA C 54.488 0.142 1 450 81 81 ALA CB C 17.764 0.037 1 451 81 81 ALA N N 121.807 0.120 1 452 82 82 GLY H H 7.926 0.002 1 453 82 82 GLY C C 175.865 0.003 1 454 82 82 GLY CA C 46.214 0.081 1 455 82 82 GLY N N 103.857 0.081 1 456 83 83 VAL H H 7.678 0.004 1 457 83 83 VAL HA H 3.899 0.000 1 458 83 83 VAL C C 177.032 0.010 1 459 83 83 VAL CA C 64.597 0.210 1 460 83 83 VAL CB C 31.683 0.000 1 461 83 83 VAL N N 120.267 0.069 1 462 84 84 TYR H H 7.959 0.002 1 463 84 84 TYR HA H 4.330 0.000 1 464 84 84 TYR C C 176.995 0.000 1 465 84 84 TYR CA C 60.142 0.051 1 466 84 84 TYR CB C 38.620 0.000 1 467 84 84 TYR N N 119.810 0.096 1 468 85 85 VAL H H 8.034 0.005 1 469 85 85 VAL HA H 3.847 0.000 1 470 85 85 VAL C C 177.578 0.010 1 471 85 85 VAL CA C 64.119 0.214 1 472 85 85 VAL CB C 31.449 0.096 1 473 85 85 VAL N N 117.429 0.097 1 474 86 86 GLY H H 7.822 0.005 1 475 86 86 GLY C C 174.862 0.007 1 476 86 86 GLY CA C 45.703 0.080 1 477 86 86 GLY N N 108.383 0.090 1 478 87 87 MET H H 7.825 0.005 1 479 87 87 MET HA H 4.297 0.000 1 480 87 87 MET C C 176.477 0.006 1 481 87 87 MET CA C 56.526 0.109 1 482 87 87 MET CB C 32.431 0.110 1 483 87 87 MET N N 119.690 0.070 1 484 88 88 GLU H H 8.167 0.002 1 485 88 88 GLU C C 176.722 0.008 1 486 88 88 GLU CA C 57.273 0.131 1 487 88 88 GLU CB C 29.045 0.113 1 488 88 88 GLU N N 119.888 0.028 1 489 89 89 TYR H H 7.896 0.003 1 490 89 89 TYR HA H 4.486 0.000 1 491 89 89 TYR C C 176.716 0.003 1 492 89 89 TYR CA C 58.441 0.141 1 493 89 89 TYR CB C 38.513 0.077 1 494 89 89 TYR N N 118.951 0.068 1 495 90 90 GLY H H 8.108 0.002 1 496 90 90 GLY C C 174.413 0.003 1 497 90 90 GLY CA C 45.913 0.047 1 498 90 90 GLY N N 108.537 0.070 1 499 91 91 VAL H H 7.980 0.002 1 500 91 91 VAL C C 176.549 0.005 1 501 91 91 VAL CA C 63.576 0.180 1 502 91 91 VAL CB C 31.647 0.185 1 503 91 91 VAL N N 118.925 0.028 1 504 92 92 GLU H H 8.230 0.002 1 505 92 92 GLU HA H 4.159 0.000 1 506 92 92 GLU C C 177.394 0.000 1 507 92 92 GLU CA C 57.545 0.096 1 508 92 92 GLU CB C 29.158 0.081 1 509 92 92 GLU N N 121.362 0.066 1 510 93 93 ARG H H 7.948 0.002 1 511 93 93 ARG HA H 4.253 0.000 1 512 93 93 ARG C C 177.112 0.000 1 513 93 93 ARG CA C 56.918 0.215 1 514 93 93 ARG CB C 29.928 0.242 1 515 93 93 ARG N N 119.145 0.062 1 516 94 94 ILE H H 7.891 0.002 1 517 94 94 ILE C C 176.894 0.007 1 518 94 94 ILE CA C 61.929 0.014 1 519 94 94 ILE CB C 38.108 0.183 1 520 94 94 ILE N N 118.584 0.083 1 521 95 95 ARG H H 8.101 0.002 1 522 95 95 ARG HA H 4.277 0.000 1 523 95 95 ARG C C 177.136 0.004 1 524 95 95 ARG CA C 57.309 0.138 1 525 95 95 ARG CB C 30.034 0.089 1 526 95 95 ARG N N 121.417 0.099 1 527 96 96 GLY H H 8.193 0.003 1 528 96 96 GLY C C 174.916 0.006 1 529 96 96 GLY CA C 45.396 0.062 1 530 96 96 GLY N N 108.092 0.071 1 531 97 97 THR H H 7.894 0.003 1 532 97 97 THR HA H 4.285 0.000 1 533 97 97 THR C C 174.697 0.002 1 534 97 97 THR CA C 62.457 0.097 1 535 97 97 THR CB C 69.630 0.104 1 536 97 97 THR N N 112.391 0.063 1 537 98 98 ARG H H 7.893 0.003 1 538 98 98 ARG HA H 4.219 0.000 1 539 98 98 ARG C C 175.244 0.026 1 540 98 98 ARG CA C 55.341 0.111 1 541 98 98 ARG CB C 30.237 0.178 1 542 98 98 ARG N N 120.885 0.065 1 543 99 99 ASP H H 8.124 0.002 1 544 99 99 ASP HA H 4.718 0.000 1 545 99 99 ASP C C 176.646 0.001 1 546 99 99 ASP CA C 53.214 0.125 1 547 99 99 ASP CB C 40.132 0.036 1 548 99 99 ASP N N 120.919 0.063 1 549 100 100 TRP H H 7.858 0.005 1 550 100 100 TRP HA H 4.342 0.000 1 551 100 100 TRP C C 177.201 0.004 1 552 100 100 TRP CA C 58.695 0.149 1 553 100 100 TRP CB C 29.032 0.023 1 554 100 100 TRP N N 122.755 0.060 1 555 101 101 LYS H H 7.870 0.002 1 556 101 101 LYS HA H 3.938 0.000 1 557 101 101 LYS C C 177.289 0.003 1 558 101 101 LYS CA C 58.380 0.142 1 559 101 101 LYS CB C 31.382 0.041 1 560 101 101 LYS N N 118.519 0.068 1 561 102 102 ASN H H 7.718 0.003 1 562 102 102 ASN HA H 4.623 0.000 1 563 102 102 ASN C C 175.673 0.006 1 564 102 102 ASN CA C 53.993 0.093 1 565 102 102 ASN CB C 38.924 0.041 1 566 102 102 ASN N N 116.214 0.062 1 567 103 103 ALA H H 7.803 0.002 1 568 103 103 ALA HA H 4.277 0.000 1 569 103 103 ALA C C 178.077 0.004 1 570 103 103 ALA CA C 53.034 0.108 1 571 103 103 ALA CB C 18.618 0.083 1 572 103 103 ALA N N 122.036 0.075 1 573 104 104 MET H H 7.920 0.003 1 574 104 104 MET HA H 4.209 0.000 1 575 104 104 MET C C 176.113 0.009 1 576 104 104 MET CA C 56.692 0.124 1 577 104 104 MET CB C 32.626 0.075 1 578 104 104 MET N N 116.790 0.059 1 579 105 105 PHE H H 7.823 0.003 1 580 105 105 PHE HA H 4.806 0.000 1 581 105 105 PHE C C 176.919 0.016 1 582 105 105 PHE CA C 57.421 0.103 1 583 105 105 PHE CB C 38.414 0.053 1 584 105 105 PHE N N 116.551 0.062 1 585 106 106 GLY H H 8.138 0.002 1 586 106 106 GLY C C 175.402 0.000 1 587 106 106 GLY CA C 46.133 0.089 1 588 106 106 GLY N N 108.247 0.066 1 589 107 107 GLY H H 8.136 0.001 1 590 107 107 GLY C C 175.359 0.020 1 591 107 107 GLY CA C 45.330 0.062 1 592 107 107 GLY N N 108.119 0.074 1 593 108 108 ALA H H 8.040 0.003 1 594 108 108 ALA HA H 4.228 0.000 1 595 108 108 ALA C C 179.416 0.008 1 596 108 108 ALA CA C 54.281 0.219 1 597 108 108 ALA CB C 19.002 0.061 1 598 108 108 ALA N N 123.390 0.080 1 599 109 109 VAL H H 8.065 0.004 1 600 109 109 VAL HA H 3.816 0.000 1 601 109 109 VAL C C 177.312 0.005 1 602 109 109 VAL CA C 65.267 0.125 1 603 109 109 VAL CB C 31.123 0.028 1 604 109 109 VAL N N 117.005 0.089 1 605 110 110 THR H H 7.982 0.003 1 606 110 110 THR HA H 3.900 0.000 1 607 110 110 THR C C 176.860 0.000 1 608 110 110 THR CA C 65.203 0.023 1 609 110 110 THR CB C 68.447 0.067 1 610 110 110 THR N N 112.387 0.085 1 611 111 111 GLY H H 8.171 0.003 1 612 111 111 GLY C C 176.139 0.006 1 613 111 111 GLY CA C 46.575 0.077 1 614 111 111 GLY N N 108.209 0.082 1 615 112 112 ALA H H 7.726 0.003 1 616 112 112 ALA HA H 4.214 0.000 1 617 112 112 ALA C C 179.869 0.010 1 618 112 112 ALA CA C 54.425 0.000 1 619 112 112 ALA CB C 18.171 0.000 1 620 112 112 ALA N N 124.406 0.078 1 621 113 113 LEU H H 8.056 0.004 1 622 113 113 LEU HA H 4.084 0.000 1 623 113 113 LEU C C 178.394 0.012 1 624 113 113 LEU CA C 57.745 0.116 1 625 113 113 LEU CB C 41.165 0.166 1 626 113 113 LEU N N 118.657 0.104 1 627 114 114 VAL H H 8.136 0.002 1 628 114 114 VAL HA H 3.660 0.000 1 629 114 114 VAL C C 178.851 0.008 1 630 114 114 VAL CA C 65.700 0.000 1 631 114 114 VAL CB C 31.162 0.000 1 632 114 114 VAL N N 117.355 0.103 1 633 115 115 SER H H 7.988 0.001 1 634 115 115 SER HA H 4.206 0.000 1 635 115 115 SER C C 176.454 0.017 1 636 115 115 SER CA C 61.067 0.007 1 637 115 115 SER CB C 62.982 0.009 1 638 115 115 SER N N 115.568 0.100 1 639 116 116 ALA H H 8.066 0.002 1 640 116 116 ALA HA H 4.223 0.000 1 641 116 116 ALA C C 179.543 0.000 1 642 116 116 ALA CA C 54.311 0.121 1 643 116 116 ALA CB C 17.942 0.086 1 644 116 116 ALA N N 123.715 0.090 1 645 117 117 ALA H H 8.175 0.004 1 646 117 117 ALA HA H 4.154 0.000 1 647 117 117 ALA C C 178.726 0.008 1 648 117 117 ALA CA C 53.949 0.087 1 649 117 117 ALA CB C 18.221 0.076 1 650 117 117 ALA N N 119.479 0.085 1 651 118 118 SER H H 7.984 0.003 1 652 118 118 SER HA H 4.322 0.000 1 653 118 118 SER C C 175.423 0.003 1 654 118 118 SER CA C 59.740 0.129 1 655 118 118 SER CB C 63.602 0.012 1 656 118 118 SER N N 111.825 0.068 1 657 119 119 ASN H H 7.978 0.004 1 658 119 119 ASN HA H 4.687 0.000 1 659 119 119 ASN C C 175.395 0.016 1 660 119 119 ASN CA C 54.003 0.103 1 661 119 119 ASN CB C 38.938 0.038 1 662 119 119 ASN N N 118.862 0.077 1 663 120 120 ASN H H 8.029 0.004 1 664 120 120 ASN HA H 4.737 0.000 1 665 120 120 ASN C C 175.066 0.005 1 666 120 120 ASN CA C 53.863 0.076 1 667 120 120 ASN CB C 39.117 0.102 1 668 120 120 ASN N N 117.709 0.068 1 669 121 121 LYS H H 8.015 0.003 1 670 121 121 LYS HA H 4.275 0.000 1 671 121 121 LYS C C 176.848 0.008 1 672 121 121 LYS CA C 56.781 0.126 1 673 121 121 LYS CB C 32.210 0.052 1 674 121 121 LYS N N 120.076 0.074 1 675 122 122 LYS H H 8.124 0.003 1 676 122 122 LYS HA H 4.239 0.000 1 677 122 122 LYS C C 176.372 0.004 1 678 122 122 LYS CA C 56.698 0.161 1 679 122 122 LYS CB C 32.141 0.079 1 680 122 122 LYS N N 120.336 0.063 1 681 123 123 ASP H H 8.090 0.002 1 682 123 123 ASP C C 176.119 0.008 1 683 123 123 ASP CA C 54.649 0.103 1 684 123 123 ASP CB C 40.642 0.264 1 685 123 123 ASP N N 119.167 0.037 1 686 124 124 LYS H H 7.958 0.003 1 687 124 124 LYS HA H 4.314 0.000 1 688 124 124 LYS C C 176.438 0.005 1 689 124 124 LYS CA C 56.254 0.164 1 690 124 124 LYS CB C 32.687 0.056 1 691 124 124 LYS N N 119.069 0.059 1 692 125 125 ILE H H 7.757 0.006 1 693 125 125 ILE HA H 4.114 0.000 1 694 125 125 ILE C C 175.262 0.014 1 695 125 125 ILE CA C 61.018 0.118 1 696 125 125 ILE CB C 38.170 0.141 1 697 125 125 ILE N N 119.309 0.049 1 698 126 126 ALA H H 8.032 0.004 1 699 126 126 ALA HA H 4.523 0.000 1 700 126 126 ALA C C 177.628 0.003 1 701 126 126 ALA CA C 51.698 0.094 1 702 126 126 ALA CB C 18.780 0.027 1 703 126 126 ALA N N 127.249 0.091 1 704 127 127 VAL H H 8.061 0.002 1 705 127 127 VAL HA H 3.869 0.000 1 706 127 127 VAL C C 176.783 0.004 1 707 127 127 VAL CA C 64.111 0.174 1 708 127 127 VAL CB C 31.654 0.169 1 709 127 127 VAL N N 119.369 0.075 1 710 128 128 ASP H H 8.363 0.002 1 711 128 128 ASP HA H 4.470 0.000 1 712 128 128 ASP C C 177.177 0.004 1 713 128 128 ASP CA C 55.406 0.093 1 714 128 128 ASP CB C 40.099 0.018 1 715 128 128 ASP N N 119.957 0.065 1 716 129 129 ALA H H 7.758 0.003 1 717 129 129 ALA HA H 4.282 0.000 1 718 129 129 ALA C C 178.685 0.000 1 719 129 129 ALA CA C 53.331 0.094 1 720 129 129 ALA CB C 18.832 0.043 1 721 129 129 ALA N N 121.811 0.069 1 722 130 130 ILE H H 7.760 0.003 1 723 130 130 ILE HA H 4.069 0.000 1 724 130 130 ILE C C 176.685 0.010 1 725 130 130 ILE CA C 62.425 0.175 1 726 130 130 ILE CB C 37.580 0.188 1 727 130 130 ILE N N 117.651 0.060 1 728 131 131 THR H H 8.111 0.004 1 729 131 131 THR HA H 4.186 0.000 1 730 131 131 THR C C 176.363 0.007 1 731 131 131 THR CA C 63.598 0.124 1 732 131 131 THR CB C 69.522 0.126 1 733 131 131 THR N N 113.944 0.068 1 734 132 132 GLY H H 8.234 0.002 1 735 132 132 GLY C C 175.751 0.007 1 736 132 132 GLY CA C 46.375 0.083 1 737 132 132 GLY N N 108.909 0.082 1 738 133 133 ALA H H 7.899 0.002 1 739 133 133 ALA HA H 4.268 0.005 1 740 133 133 ALA C C 179.747 0.012 1 741 133 133 ALA CA C 54.270 0.143 1 742 133 133 ALA CB C 18.329 0.049 1 743 133 133 ALA N N 123.963 0.073 1 744 134 134 ALA H H 8.341 0.002 1 745 134 134 ALA HA H 4.123 0.000 1 746 134 134 ALA C C 179.087 0.004 1 747 134 134 ALA CA C 55.060 0.168 1 748 134 134 ALA CB C 18.118 0.000 1 749 134 134 ALA N N 121.913 0.073 1 750 135 135 ILE H H 7.918 0.003 1 751 135 135 ILE HA H 3.707 0.000 1 752 135 135 ILE C C 177.296 0.005 1 753 135 135 ILE CA C 64.224 0.104 1 754 135 135 ILE CB C 37.099 0.184 1 755 135 135 ILE N N 117.006 0.090 1 756 136 136 ALA H H 7.852 0.003 1 757 136 136 ALA HA H 4.183 0.000 1 758 136 136 ALA C C 180.728 0.006 1 759 136 136 ALA CA C 54.720 0.123 1 760 136 136 ALA CB C 17.831 0.036 1 761 136 136 ALA N N 121.078 0.088 1 762 137 137 THR H H 8.003 0.003 1 763 137 137 THR HA H 4.424 0.000 1 764 137 137 THR C C 176.171 0.004 1 765 137 137 THR CA C 66.068 0.193 1 766 137 137 THR CB C 68.618 0.097 1 767 137 137 THR N N 115.379 0.061 1 768 138 138 ALA H H 8.348 0.003 1 769 138 138 ALA HA H 4.076 0.000 1 770 138 138 ALA C C 178.764 0.015 1 771 138 138 ALA CA C 55.221 0.119 1 772 138 138 ALA CB C 17.887 0.076 1 773 138 138 ALA N N 123.971 0.091 1 774 139 139 ALA H H 8.489 0.004 1 775 139 139 ALA HA H 4.028 0.000 1 776 139 139 ALA C C 179.932 0.016 1 777 139 139 ALA CA C 55.073 0.125 1 778 139 139 ALA CB C 17.752 0.086 1 779 139 139 ALA N N 118.517 0.083 1 780 140 140 GLU H H 7.810 0.003 1 781 140 140 GLU HA H 4.121 0.000 1 782 140 140 GLU C C 178.833 0.001 1 783 140 140 GLU CA C 58.557 0.126 1 784 140 140 GLU CB C 28.785 0.074 1 785 140 140 GLU N N 117.457 0.073 1 786 141 141 PHE H H 8.088 0.004 1 787 141 141 PHE C C 177.500 0.001 1 788 141 141 PHE CA C 60.597 0.129 1 789 141 141 PHE CB C 39.117 0.067 1 790 141 141 PHE N N 119.776 0.072 1 791 142 142 ILE H H 8.372 0.004 1 792 142 142 ILE HA H 3.748 0.000 1 793 142 142 ILE C C 177.996 0.004 1 794 142 142 ILE CA C 63.986 0.142 1 795 142 142 ILE CB C 37.097 0.122 1 796 142 142 ILE N N 118.321 0.073 1 797 143 143 ASN H H 8.078 0.004 1 798 143 143 ASN HA H 4.442 0.000 1 799 143 143 ASN C C 176.762 0.011 1 800 143 143 ASN CA C 55.960 0.123 1 801 143 143 ASN CB C 38.631 0.044 1 802 143 143 ASN N N 118.621 0.075 1 803 144 144 TYR H H 7.921 0.005 1 804 144 144 TYR HA H 4.309 0.000 1 805 144 144 TYR C C 177.029 0.006 1 806 144 144 TYR CA C 60.132 0.160 1 807 144 144 TYR N N 119.156 0.091 1 808 145 145 LEU H H 7.920 0.002 1 809 145 145 LEU C C 177.986 0.001 1 810 145 145 LEU CA C 56.394 0.169 1 811 145 145 LEU CB C 41.806 0.102 1 812 145 145 LEU N N 119.026 0.031 1 813 146 146 THR H H 8.000 0.002 1 814 146 146 THR HA H 4.217 0.000 1 815 146 146 THR C C 175.371 0.028 1 816 146 146 THR CA C 62.908 0.141 1 817 146 146 THR CB C 69.427 0.091 1 818 146 146 THR N N 110.955 0.064 1 819 147 147 LEU H H 7.779 0.002 1 820 147 147 LEU HA H 4.227 0.000 1 821 147 147 LEU C C 178.044 0.008 1 822 147 147 LEU CA C 55.986 0.159 1 823 147 147 LEU CB C 41.413 0.106 1 824 147 147 LEU N N 122.582 0.071 1 825 148 148 GLU H H 8.014 0.002 1 826 148 148 GLU HA H 4.132 0.000 1 827 148 148 GLU C C 176.655 0.001 1 828 148 148 GLU CA C 56.595 0.134 1 829 148 148 GLU CB C 29.508 0.124 1 830 148 148 GLU N N 118.131 0.072 1 831 149 149 HIS H H 7.979 0.002 1 832 149 149 HIS C C 174.438 0.006 1 833 149 149 HIS CA C 55.807 0.081 1 834 149 149 HIS CB C 28.751 0.043 1 835 149 149 HIS N N 116.902 0.013 1 836 150 150 HIS H H 8.094 0.004 1 837 150 150 HIS HA H 4.275 0.000 1 838 150 150 HIS C C 174.482 0.003 1 839 150 150 HIS CA C 55.753 0.070 1 840 150 150 HIS CB C 29.025 0.088 1 841 150 150 HIS N N 117.832 0.065 1 842 151 151 HIS H H 8.262 0.002 1 843 151 151 HIS HA H 4.645 0.000 1 844 151 151 HIS C C 174.379 0.016 1 845 151 151 HIS CA C 55.741 0.058 1 846 151 151 HIS CB C 29.063 0.048 1 847 151 151 HIS N N 118.361 0.060 1 848 152 152 HIS H H 8.233 0.003 1 849 152 152 HIS HA H 4.647 0.000 1 850 152 152 HIS C C 174.144 0.002 1 851 152 152 HIS CA C 55.576 0.000 1 852 152 152 HIS CB C 29.112 0.000 1 853 152 152 HIS N N 118.522 0.075 1 854 153 153 HIS H H 8.247 0.004 1 855 153 153 HIS C C 173.669 0.011 1 856 153 153 HIS CA C 55.633 0.062 1 857 153 153 HIS CB C 29.249 0.000 1 858 153 153 HIS N N 119.146 0.138 1 859 154 154 HIS H H 8.074 0.001 1 860 154 154 HIS HA H 4.436 0.000 1 861 154 154 HIS C C 178.912 0.000 1 862 154 154 HIS CA C 56.895 0.000 1 863 154 154 HIS CB C 29.461 0.000 1 864 154 154 HIS N N 124.446 0.063 1 stop_ save_