data_26530 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of intrinsically disordered self-processing module of FrpC protein of Neisseria meningitidis ; _BMRB_accession_number 26530 _BMRB_flat_file_name bmr26530.str _Entry_type original _Submission_date 2015-03-06 _Accession_date 2015-03-06 _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 Kuban Vojtech . . 2 Zidek Lukas . . 3 Novacek Jiri . . 4 Bumba Ladislav . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 570 "13C chemical shifts" 460 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-04 original BMRB . stop_ _Original_release_date 2015-12-04 save_ ############################# # Citation for this entry # ############################# save_citace1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignment of intrinsically disordered self-processing module of the FrpC protein of Neisseria meningitidis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26138689 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kuban Vojtech . . 2 Novacek Jiri . . 3 Bumba Ladislav . . 4 Zidek Lukas . . stop_ _Journal_abbreviation 'Biomol NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 435 _Page_last 440 _Year 2015 _Details . loop_ _Keyword FrpC 'Intrinsically disordered proteins' 'Neisseria meningitidis' 'Resolution-enhanced spectroscopy' 'Resonance assignment' 'Self-processing module' 'Sparse sampling' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SPM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SPM $Self-processing_module_of_FrpC stop_ _System_molecular_weight 19000 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Self-processing_module_of_FrpC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Self-processing_module_of_FrpC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; PLALDLDGDGIETVATKGFS GSLFDHNRDGIRTATGWVSA DDGLLVRDLNGNGIIDNGAE LFGDNTKLADGSFAKHGYAA LAELDSNGDNIINAADAAFQ SLRVWQDLNQDGISQANELR TLEELGIQSLDLAYKDVNKN LGNGNTLAQQGSYTKTNGTT AKMGDLLLAADNLHSRFLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 PRO 2 2 LEU 3 3 ALA 4 4 LEU 5 5 ASP 6 6 LEU 7 7 ASP 8 8 GLY 9 9 ASP 10 10 GLY 11 11 ILE 12 12 GLU 13 13 THR 14 14 VAL 15 15 ALA 16 16 THR 17 17 LYS 18 18 GLY 19 19 PHE 20 20 SER 21 21 GLY 22 22 SER 23 23 LEU 24 24 PHE 25 25 ASP 26 26 HIS 27 27 ASN 28 28 ARG 29 29 ASP 30 30 GLY 31 31 ILE 32 32 ARG 33 33 THR 34 34 ALA 35 35 THR 36 36 GLY 37 37 TRP 38 38 VAL 39 39 SER 40 40 ALA 41 41 ASP 42 42 ASP 43 43 GLY 44 44 LEU 45 45 LEU 46 46 VAL 47 47 ARG 48 48 ASP 49 49 LEU 50 50 ASN 51 51 GLY 52 52 ASN 53 53 GLY 54 54 ILE 55 55 ILE 56 56 ASP 57 57 ASN 58 58 GLY 59 59 ALA 60 60 GLU 61 61 LEU 62 62 PHE 63 63 GLY 64 64 ASP 65 65 ASN 66 66 THR 67 67 LYS 68 68 LEU 69 69 ALA 70 70 ASP 71 71 GLY 72 72 SER 73 73 PHE 74 74 ALA 75 75 LYS 76 76 HIS 77 77 GLY 78 78 TYR 79 79 ALA 80 80 ALA 81 81 LEU 82 82 ALA 83 83 GLU 84 84 LEU 85 85 ASP 86 86 SER 87 87 ASN 88 88 GLY 89 89 ASP 90 90 ASN 91 91 ILE 92 92 ILE 93 93 ASN 94 94 ALA 95 95 ALA 96 96 ASP 97 97 ALA 98 98 ALA 99 99 PHE 100 100 GLN 101 101 SER 102 102 LEU 103 103 ARG 104 104 VAL 105 105 TRP 106 106 GLN 107 107 ASP 108 108 LEU 109 109 ASN 110 110 GLN 111 111 ASP 112 112 GLY 113 113 ILE 114 114 SER 115 115 GLN 116 116 ALA 117 117 ASN 118 118 GLU 119 119 LEU 120 120 ARG 121 121 THR 122 122 LEU 123 123 GLU 124 124 GLU 125 125 LEU 126 126 GLY 127 127 ILE 128 128 GLN 129 129 SER 130 130 LEU 131 131 ASP 132 132 LEU 133 133 ALA 134 134 TYR 135 135 LYS 136 136 ASP 137 137 VAL 138 138 ASN 139 139 LYS 140 140 ASN 141 141 LEU 142 142 GLY 143 143 ASN 144 144 GLY 145 145 ASN 146 146 THR 147 147 LEU 148 148 ALA 149 149 GLN 150 150 GLN 151 151 GLY 152 152 SER 153 153 TYR 154 154 THR 155 155 LYS 156 156 THR 157 157 ASN 158 158 GLY 159 159 THR 160 160 THR 161 161 ALA 162 162 LYS 163 163 MET 164 164 GLY 165 165 ASP 166 166 LEU 167 167 LEU 168 168 LEU 169 169 ALA 170 170 ALA 171 171 ASP 172 172 ASN 173 173 LEU 174 174 HIS 175 175 SER 176 176 ARG 177 177 PHE 178 178 LEU 179 179 GLU 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 $Self-processing_module_of_FrpC b-proteobacteria 487 Bacteria . Neisseria meningitidis 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 $Self-processing_module_of_FrpC 'recombinant technology' . Escherichia coli . pET42b 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 $Self-processing_module_of_FrpC 0.35 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 '% v/v' 'natural abundance' TRIS 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_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_MFT _Saveframe_category software _Name MFT _Version . loop_ _Vendor _Address _Electronic_address 'W. Kozminski' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2D_CON_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_4D_HCBCACON_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCBCACON' _Sample_label $sample_1 save_ save_4D_HCBCANCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCBCANCO' _Sample_label $sample_1 save_ save_5D_HN(CA)CONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HN(CA)CONH' _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' 55 . mM pH 7.4 . pH pressure 1 . atm temperature 303.2 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 CON' '3D HNCO' '4D HCBCACON' '4D HCBCANCO' '5D HN(CA)CONH' 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 SPM _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 PRO HA H 4.355 0.000 1 2 1 1 PRO HB2 H 2.031 0.000 2 3 1 1 PRO HB3 H 2.433 0.000 2 4 1 1 PRO C C 172.656 0.000 1 5 1 1 PRO CA C 62.327 0.000 1 6 1 1 PRO CB C 32.579 0.005 1 7 2 2 LEU HA H 4.343 0.016 1 8 2 2 LEU HB2 H 1.589 0.006 1 9 2 2 LEU HB3 H 1.589 0.006 1 10 2 2 LEU C C 176.655 0.001 1 11 2 2 LEU CA C 55.477 0.023 1 12 2 2 LEU CB C 42.605 0.036 1 13 2 2 LEU N N 122.010 0.000 1 14 3 3 ALA H H 8.370 0.003 1 15 3 3 ALA HA H 4.321 0.003 1 16 3 3 ALA HB H 1.368 0.000 1 17 3 3 ALA C C 177.200 0.004 1 18 3 3 ALA CA C 52.351 0.004 1 19 3 3 ALA CB C 19.297 0.038 1 20 3 3 ALA N N 125.454 0.010 1 21 4 4 LEU H H 8.123 0.001 1 22 4 4 LEU HA H 4.321 0.005 1 23 4 4 LEU HB2 H 1.568 0.010 1 24 4 4 LEU HB3 H 1.568 0.010 1 25 4 4 LEU C C 176.900 0.002 1 26 4 4 LEU CA C 55.152 0.061 1 27 4 4 LEU CB C 42.640 0.022 1 28 4 4 LEU N N 121.278 0.009 1 29 5 5 ASP H H 8.274 0.000 1 30 5 5 ASP HA H 4.592 0.004 1 31 5 5 ASP HB2 H 2.643 0.014 1 32 5 5 ASP HB3 H 2.643 0.014 1 33 5 5 ASP C C 176.101 0.001 1 34 5 5 ASP CA C 54.199 0.023 1 35 5 5 ASP CB C 41.000 0.017 1 36 5 5 ASP N N 120.739 0.010 1 37 6 6 LEU H H 8.088 0.000 1 38 6 6 LEU HA H 4.324 0.011 1 39 6 6 LEU HB2 H 1.607 0.009 1 40 6 6 LEU HB3 H 1.607 0.009 1 41 6 6 LEU C C 177.245 0.003 1 42 6 6 LEU CA C 55.293 0.013 1 43 6 6 LEU CB C 42.542 0.007 1 44 6 6 LEU N N 122.214 0.004 1 45 7 7 ASP H H 8.277 0.000 1 46 7 7 ASP HA H 4.608 0.007 1 47 7 7 ASP HB2 H 2.686 0.018 1 48 7 7 ASP HB3 H 2.686 0.018 1 49 7 7 ASP C C 176.807 0.000 1 50 7 7 ASP CA C 54.546 0.044 1 51 7 7 ASP CB C 41.426 0.074 1 52 7 7 ASP N N 120.537 0.006 1 53 8 8 GLY H H 8.188 0.002 1 54 8 8 GLY HA2 H 3.945 0.000 1 55 8 8 GLY HA3 H 3.945 0.000 1 56 8 8 GLY C C 174.141 0.002 1 57 8 8 GLY CA C 45.645 0.017 1 58 8 8 GLY N N 109.003 0.003 1 59 9 9 ASP H H 8.267 0.001 1 60 9 9 ASP HA H 4.607 0.003 1 61 9 9 ASP HB2 H 2.673 0.004 1 62 9 9 ASP HB3 H 2.673 0.004 1 63 9 9 ASP C C 176.972 0.001 1 64 9 9 ASP CA C 54.594 0.009 1 65 9 9 ASP CB C 41.409 0.026 1 66 9 9 ASP N N 120.305 0.008 1 67 10 10 GLY H H 8.386 0.003 1 68 10 10 GLY HA2 H 3.932 0.001 1 69 10 10 GLY HA3 H 3.932 0.001 1 70 10 10 GLY C C 174.315 0.004 1 71 10 10 GLY CA C 45.687 0.019 1 72 10 10 GLY N N 109.125 0.016 1 73 11 11 ILE H H 7.936 0.001 1 74 11 11 ILE HA H 4.142 0.004 1 75 11 11 ILE HB H 1.881 0.005 1 76 11 11 ILE C C 176.413 0.002 1 77 11 11 ILE CA C 61.300 0.007 1 78 11 11 ILE CB C 38.648 0.059 1 79 11 11 ILE N N 119.988 0.003 1 80 12 12 GLU H H 8.553 0.001 1 81 12 12 GLU HA H 4.337 0.008 1 82 12 12 GLU HB2 H 1.999 0.002 1 83 12 12 GLU HB3 H 1.999 0.002 1 84 12 12 GLU C C 176.694 0.005 1 85 12 12 GLU CA C 56.749 0.060 1 86 12 12 GLU CB C 30.307 0.060 1 87 12 12 GLU N N 124.513 0.007 1 88 13 13 THR H H 8.185 0.003 1 89 13 13 THR HA H 4.344 0.008 1 90 13 13 THR HB H 4.197 0.001 1 91 13 13 THR C C 174.670 0.003 1 92 13 13 THR CA C 61.975 0.019 1 93 13 13 THR CB C 69.904 0.008 1 94 13 13 THR N N 116.006 0.006 1 95 14 14 VAL H H 8.092 0.002 1 96 14 14 VAL HA H 4.054 0.030 1 97 14 14 VAL HB H 2.075 0.002 1 98 14 14 VAL C C 176.030 0.002 1 99 14 14 VAL CA C 62.599 0.009 1 100 14 14 VAL CB C 32.686 0.029 1 101 14 14 VAL N N 122.175 0.008 1 102 15 15 ALA H H 8.323 0.002 1 103 15 15 ALA HA H 4.345 0.001 1 104 15 15 ALA HB H 1.387 0.012 1 105 15 15 ALA C C 178.043 0.001 1 106 15 15 ALA CA C 52.782 0.018 1 107 15 15 ALA CB C 19.272 0.042 1 108 15 15 ALA N N 126.960 0.013 1 109 16 16 THR H H 7.993 0.000 1 110 16 16 THR HA H 4.280 0.000 1 111 16 16 THR HB H 4.194 0.000 1 112 16 16 THR CA C 61.931 0.000 1 113 16 16 THR CB C 69.455 0.000 1 114 16 16 THR N N 112.945 0.026 1 115 17 17 LYS HA H 4.300 0.000 1 116 17 17 LYS HB2 H 1.755 0.000 1 117 17 17 LYS HB3 H 1.755 0.000 1 118 17 17 LYS C C 176.870 0.000 1 119 17 17 LYS CA C 56.609 0.000 1 120 17 17 LYS CB C 33.020 0.000 1 121 18 18 GLY HA2 H 3.901 0.011 1 122 18 18 GLY HA3 H 3.901 0.011 1 123 18 18 GLY C C 173.747 0.001 1 124 18 18 GLY CA C 45.278 0.104 1 125 18 18 GLY N N 109.602 0.000 1 126 19 19 PHE H H 8.095 0.000 1 127 19 19 PHE HA H 4.632 0.000 1 128 19 19 PHE HB2 H 3.053 0.000 1 129 19 19 PHE HB3 H 3.053 0.000 1 130 19 19 PHE CA C 57.940 0.000 1 131 19 19 PHE CB C 39.656 0.000 1 132 19 19 PHE N N 120.125 0.002 1 133 20 20 SER HA H 4.404 0.000 1 134 20 20 SER HB2 H 3.818 0.000 1 135 20 20 SER HB3 H 3.818 0.000 1 136 20 20 SER C C 174.722 0.000 1 137 20 20 SER CA C 58.383 0.000 1 138 20 20 SER CB C 63.880 0.000 1 139 21 21 GLY HA2 H 3.931 0.017 1 140 21 21 GLY HA3 H 3.931 0.017 1 141 21 21 GLY C C 173.986 0.000 1 142 21 21 GLY CA C 45.429 0.067 1 143 21 21 GLY N N 110.406 0.000 1 144 22 22 SER H H 8.150 0.000 1 145 22 22 SER HA H 4.432 0.005 1 146 22 22 SER HB2 H 3.806 0.003 1 147 22 22 SER HB3 H 3.806 0.003 1 148 22 22 SER C C 174.646 0.003 1 149 22 22 SER CA C 58.298 0.092 1 150 22 22 SER CB C 64.008 0.027 1 151 22 22 SER N N 115.455 0.014 1 152 23 23 LEU H H 8.205 0.002 1 153 23 23 LEU HA H 4.226 0.003 1 154 23 23 LEU HB2 H 1.396 0.028 1 155 23 23 LEU HB3 H 1.396 0.028 1 156 23 23 LEU C C 177.005 0.003 1 157 23 23 LEU CA C 55.588 0.041 1 158 23 23 LEU CB C 42.205 0.112 1 159 23 23 LEU N N 123.710 0.002 1 160 24 24 PHE H H 8.002 0.001 1 161 24 24 PHE HA H 4.538 0.008 1 162 24 24 PHE HB2 H 2.861 0.020 2 163 24 24 PHE HB3 H 3.062 0.002 2 164 24 24 PHE C C 175.298 0.004 1 165 24 24 PHE CA C 57.624 0.017 1 166 24 24 PHE CB C 39.739 0.040 1 167 24 24 PHE N N 119.284 0.006 1 168 25 25 ASP H H 8.058 0.004 1 169 25 25 ASP HA H 4.533 0.000 1 170 25 25 ASP HB2 H 2.606 0.000 1 171 25 25 ASP HB3 H 2.606 0.000 1 172 25 25 ASP CA C 54.100 0.000 1 173 25 25 ASP CB C 41.245 0.000 1 174 25 25 ASP N N 121.621 0.014 1 175 26 26 HIS HA H 4.497 0.000 1 176 26 26 HIS HB2 H 3.079 0.000 1 177 26 26 HIS HB3 H 3.079 0.000 1 178 26 26 HIS C C 175.522 0.000 1 179 26 26 HIS CA C 56.957 0.000 1 180 26 26 HIS CB C 30.719 0.000 1 181 27 27 ASN H H 8.294 0.000 1 182 27 27 ASN HA H 4.646 0.000 1 183 27 27 ASN HB2 H 2.753 0.009 1 184 27 27 ASN HB3 H 2.753 0.009 1 185 27 27 ASN C C 175.510 0.000 1 186 27 27 ASN CA C 53.685 0.000 1 187 27 27 ASN CB C 38.780 0.073 1 188 27 27 ASN N N 118.926 0.011 1 189 28 28 ARG H H 8.157 0.002 1 190 28 28 ARG HA H 4.215 0.019 1 191 28 28 ARG HB2 H 1.744 0.047 1 192 28 28 ARG HB3 H 1.744 0.047 1 193 28 28 ARG C C 176.222 0.001 1 194 28 28 ARG CA C 56.807 0.063 1 195 28 28 ARG CB C 30.528 0.149 1 196 28 28 ARG N N 120.961 0.008 1 197 29 29 ASP H H 8.267 0.002 1 198 29 29 ASP HA H 4.593 0.011 1 199 29 29 ASP HB2 H 2.644 0.006 1 200 29 29 ASP HB3 H 2.644 0.006 1 201 29 29 ASP C C 176.695 0.002 1 202 29 29 ASP CA C 54.859 0.022 1 203 29 29 ASP CB C 41.333 0.022 1 204 29 29 ASP N N 120.009 0.012 1 205 30 30 GLY H H 8.149 0.006 1 206 30 30 GLY HA2 H 3.906 0.018 1 207 30 30 GLY HA3 H 3.906 0.018 1 208 30 30 GLY C C 173.973 0.005 1 209 30 30 GLY CA C 45.507 0.034 1 210 30 30 GLY N N 108.575 0.027 1 211 31 31 ILE H H 7.957 0.003 1 212 31 31 ILE HA H 4.149 0.006 1 213 31 31 ILE HB H 1.817 0.009 1 214 31 31 ILE C C 176.181 0.002 1 215 31 31 ILE CA C 61.189 0.047 1 216 31 31 ILE CB C 38.650 0.023 1 217 31 31 ILE N N 120.041 0.006 1 218 32 32 ARG H H 8.369 0.006 1 219 32 32 ARG HA H 4.352 0.013 1 220 32 32 ARG HB2 H 1.704 0.036 1 221 32 32 ARG HB3 H 1.704 0.036 1 222 32 32 ARG C C 176.375 0.003 1 223 32 32 ARG CA C 56.087 0.081 1 224 32 32 ARG CB C 30.791 0.005 1 225 32 32 ARG N N 125.021 0.021 1 226 33 33 THR H H 8.085 0.000 1 227 33 33 THR HA H 4.345 0.001 1 228 33 33 THR HB H 4.263 0.012 1 229 33 33 THR C C 174.429 0.000 1 230 33 33 THR CA C 61.537 0.025 1 231 33 33 THR CB C 70.039 0.054 1 232 33 33 THR N N 115.427 0.014 1 233 34 34 ALA HA H 4.352 0.008 1 234 34 34 ALA HB H 1.359 0.032 1 235 34 34 ALA C C 178.024 0.005 1 236 34 34 ALA CA C 52.958 0.065 1 237 34 34 ALA CB C 19.144 0.162 1 238 34 34 ALA N N 125.478 0.039 1 239 35 35 THR H H 8.018 0.000 1 240 35 35 THR HA H 4.282 0.009 1 241 35 35 THR HB H 4.171 0.000 1 242 35 35 THR C C 175.030 0.000 1 243 35 35 THR CA C 61.916 0.021 1 244 35 35 THR CB C 69.750 0.000 1 245 35 35 THR N N 111.357 0.012 1 246 36 36 GLY H H 8.149 0.000 1 247 36 36 GLY HA2 H 3.916 0.010 1 248 36 36 GLY HA3 H 3.916 0.010 1 249 36 36 GLY C C 173.437 0.001 1 250 36 36 GLY CA C 45.351 0.048 1 251 36 36 GLY N N 110.788 0.038 1 252 37 37 TRP H H 8.049 0.003 1 253 37 37 TRP HA H 4.717 0.014 1 254 37 37 TRP HB2 H 3.188 0.009 1 255 37 37 TRP HB3 H 3.188 0.009 1 256 37 37 TRP C C 175.898 0.000 1 257 37 37 TRP CA C 57.410 0.024 1 258 37 37 TRP CB C 30.086 0.004 1 259 37 37 TRP N N 121.579 0.011 1 260 38 38 VAL H H 8.034 0.003 1 261 38 38 VAL HA H 4.115 0.006 1 262 38 38 VAL HB H 1.940 0.014 1 263 38 38 VAL C C 175.274 0.003 1 264 38 38 VAL CA C 61.645 0.035 1 265 38 38 VAL CB C 33.599 0.016 1 266 38 38 VAL N N 122.463 0.023 1 267 39 39 SER H H 8.223 0.002 1 268 39 39 SER HA H 4.318 0.004 1 269 39 39 SER HB2 H 3.817 0.004 1 270 39 39 SER HB3 H 3.817 0.004 1 271 39 39 SER C C 174.506 0.002 1 272 39 39 SER CA C 57.978 0.009 1 273 39 39 SER CB C 64.062 0.025 1 274 39 39 SER N N 119.129 0.011 1 275 40 40 ALA H H 8.420 0.003 1 276 40 40 ALA HA H 4.291 0.010 1 277 40 40 ALA HB H 1.380 0.004 1 278 40 40 ALA C C 177.592 0.002 1 279 40 40 ALA CA C 52.784 0.033 1 280 40 40 ALA CB C 19.301 0.036 1 281 40 40 ALA N N 126.529 0.013 1 282 41 41 ASP H H 8.194 0.003 1 283 41 41 ASP HA H 4.550 0.002 1 284 41 41 ASP HB2 H 2.650 0.009 1 285 41 41 ASP HB3 H 2.650 0.009 1 286 41 41 ASP C C 176.311 0.002 1 287 41 41 ASP CA C 54.647 0.057 1 288 41 41 ASP CB C 41.194 0.026 1 289 41 41 ASP N N 118.921 0.009 1 290 42 42 ASP H H 8.084 0.001 1 291 42 42 ASP HA H 4.532 0.000 1 292 42 42 ASP HB2 H 2.680 0.004 1 293 42 42 ASP HB3 H 2.680 0.004 1 294 42 42 ASP C C 177.100 0.008 1 295 42 42 ASP CA C 54.793 0.025 1 296 42 42 ASP CB C 41.140 0.019 1 297 42 42 ASP N N 120.464 0.016 1 298 43 43 GLY H H 8.310 0.004 1 299 43 43 GLY HA2 H 3.891 0.006 1 300 43 43 GLY HA3 H 3.891 0.006 1 301 43 43 GLY C C 174.398 0.013 1 302 43 43 GLY CA C 45.817 0.042 1 303 43 43 GLY N N 108.619 0.022 1 304 44 44 LEU H H 7.901 0.002 1 305 44 44 LEU HA H 4.293 0.005 1 306 44 44 LEU HB2 H 1.591 0.017 1 307 44 44 LEU HB3 H 1.591 0.017 1 308 44 44 LEU C C 177.242 0.004 1 309 44 44 LEU CA C 55.459 0.021 1 310 44 44 LEU CB C 42.269 0.064 1 311 44 44 LEU N N 121.071 0.004 1 312 45 45 LEU H H 8.060 0.001 1 313 45 45 LEU HA H 4.361 0.016 1 314 45 45 LEU HB2 H 1.586 0.001 1 315 45 45 LEU HB3 H 1.586 0.001 1 316 45 45 LEU C C 177.138 0.014 1 317 45 45 LEU CA C 55.322 0.042 1 318 45 45 LEU CB C 42.447 0.060 1 319 45 45 LEU N N 122.192 0.008 1 320 46 46 VAL H H 8.058 0.003 1 321 46 46 VAL HA H 4.087 0.009 1 322 46 46 VAL HB H 2.019 0.001 1 323 46 46 VAL C C 175.924 0.005 1 324 46 46 VAL CA C 62.370 0.031 1 325 46 46 VAL CB C 32.733 0.011 1 326 46 46 VAL N N 121.189 0.032 1 327 47 47 ARG H H 8.246 0.002 1 328 47 47 ARG HA H 4.351 0.013 1 329 47 47 ARG HB2 H 1.729 0.009 1 330 47 47 ARG HB3 H 1.729 0.009 1 331 47 47 ARG C C 175.727 0.003 1 332 47 47 ARG CA C 55.940 0.055 1 333 47 47 ARG CB C 31.383 0.012 1 334 47 47 ARG N N 124.381 0.015 1 335 48 48 ASP H H 8.291 0.005 1 336 48 48 ASP HA H 4.594 0.004 1 337 48 48 ASP HB2 H 2.652 0.035 1 338 48 48 ASP HB3 H 2.652 0.035 1 339 48 48 ASP C C 176.502 0.002 1 340 48 48 ASP CA C 54.112 0.027 1 341 48 48 ASP CB C 41.335 0.081 1 342 48 48 ASP N N 121.316 0.006 1 343 49 49 LEU H H 8.231 0.003 1 344 49 49 LEU HA H 4.264 0.020 1 345 49 49 LEU HB2 H 1.593 0.004 1 346 49 49 LEU HB3 H 1.593 0.004 1 347 49 49 LEU C C 177.548 0.005 1 348 49 49 LEU CA C 55.922 0.076 1 349 49 49 LEU CB C 42.183 0.062 1 350 49 49 LEU N N 122.939 0.023 1 351 50 50 ASN H H 8.395 0.000 1 352 50 50 ASN HA H 4.685 0.000 1 353 50 50 ASN HB2 H 2.777 0.000 1 354 50 50 ASN HB3 H 2.777 0.000 1 355 50 50 ASN CA C 53.560 0.000 1 356 50 50 ASN CB C 39.114 0.000 1 357 50 50 ASN N N 118.101 0.005 1 358 52 52 ASN C C 175.735 0.002 1 359 53 53 GLY H H 8.439 0.002 1 360 53 53 GLY HA2 H 3.904 0.004 1 361 53 53 GLY HA3 H 3.904 0.004 1 362 53 53 GLY C C 173.806 0.002 1 363 53 53 GLY CA C 45.460 0.027 1 364 53 53 GLY N N 109.143 0.012 1 365 54 54 ILE H H 7.934 0.005 1 366 54 54 ILE HA H 4.151 0.004 1 367 54 54 ILE HB H 1.826 0.000 1 368 54 54 ILE C C 176.181 0.001 1 369 54 54 ILE CA C 61.124 0.018 1 370 54 54 ILE CB C 38.664 0.009 1 371 54 54 ILE N N 120.461 0.018 1 372 55 55 ILE H H 8.193 0.007 1 373 55 55 ILE HA H 4.165 0.007 1 374 55 55 ILE HB H 1.826 0.003 1 375 55 55 ILE C C 175.662 0.001 1 376 55 55 ILE CA C 60.888 0.066 1 377 55 55 ILE CB C 38.855 0.068 1 378 55 55 ILE N N 125.069 0.057 1 379 56 56 ASP H H 8.372 0.001 1 380 56 56 ASP HA H 4.621 0.006 1 381 56 56 ASP HB2 H 2.655 0.000 1 382 56 56 ASP HB3 H 2.655 0.000 1 383 56 56 ASP C C 175.939 0.003 1 384 56 56 ASP CA C 54.055 0.045 1 385 56 56 ASP CB C 41.457 0.031 1 386 56 56 ASP N N 124.890 0.010 1 387 57 57 ASN H H 8.429 0.002 1 388 57 57 ASN HA H 4.669 0.019 1 389 57 57 ASN HB2 H 2.794 0.010 1 390 57 57 ASN HB3 H 2.794 0.010 1 391 57 57 ASN C C 176.044 0.007 1 392 57 57 ASN CA C 53.550 0.029 1 393 57 57 ASN CB C 38.931 0.065 1 394 57 57 ASN N N 120.593 0.028 1 395 58 58 GLY H H 8.523 0.001 1 396 58 58 GLY HA2 H 3.919 0.006 1 397 58 58 GLY HA3 H 3.919 0.006 1 398 58 58 GLY C C 174.238 0.002 1 399 58 58 GLY CA C 45.864 0.007 1 400 58 58 GLY N N 109.306 0.029 1 401 59 59 ALA H H 7.995 0.002 1 402 59 59 ALA HA H 4.248 0.006 1 403 59 59 ALA HB H 1.355 0.013 1 404 59 59 ALA C C 177.894 0.001 1 405 59 59 ALA CA C 52.801 0.021 1 406 59 59 ALA CB C 19.353 0.010 1 407 59 59 ALA N N 123.271 0.011 1 408 60 60 GLU H H 8.324 0.002 1 409 60 60 GLU HA H 4.194 0.007 1 410 60 60 GLU HB2 H 1.919 0.013 1 411 60 60 GLU HB3 H 1.919 0.013 1 412 60 60 GLU C C 176.416 0.003 1 413 60 60 GLU CA C 56.734 0.035 1 414 60 60 GLU CB C 30.059 0.036 1 415 60 60 GLU N N 119.515 0.013 1 416 61 61 LEU H H 8.024 0.001 1 417 61 61 LEU HA H 4.257 0.012 1 418 61 61 LEU HB2 H 1.458 0.034 1 419 61 61 LEU HB3 H 1.458 0.034 1 420 61 61 LEU C C 177.039 0.001 1 421 61 61 LEU CA C 55.247 0.007 1 422 61 61 LEU CB C 42.407 0.037 1 423 61 61 LEU N N 122.508 0.020 1 424 62 62 PHE H H 8.113 0.005 1 425 62 62 PHE HA H 4.645 0.000 1 426 62 62 PHE HB2 H 2.999 0.008 2 427 62 62 PHE HB3 H 3.146 0.008 2 428 62 62 PHE C C 176.243 0.000 1 429 62 62 PHE CA C 57.588 0.008 1 430 62 62 PHE CB C 39.604 0.028 1 431 62 62 PHE N N 119.906 0.019 1 432 63 63 GLY H H 8.190 0.002 1 433 63 63 GLY HA2 H 3.899 0.004 1 434 63 63 GLY HA3 H 3.899 0.004 1 435 63 63 GLY C C 173.756 0.000 1 436 63 63 GLY CA C 45.403 0.024 1 437 63 63 GLY N N 109.933 0.017 1 438 64 64 ASP H H 8.198 0.005 1 439 64 64 ASP HA H 4.588 0.001 1 440 64 64 ASP HB2 H 2.663 0.018 1 441 64 64 ASP HB3 H 2.663 0.018 1 442 64 64 ASP C C 176.393 0.000 1 443 64 64 ASP CA C 54.392 0.032 1 444 64 64 ASP CB C 41.195 0.053 1 445 64 64 ASP N N 120.446 0.010 1 446 65 65 ASN H H 8.470 0.002 1 447 65 65 ASN HA H 4.709 0.022 1 448 65 65 ASN HB2 H 2.800 0.034 1 449 65 65 ASN HB3 H 2.800 0.034 1 450 65 65 ASN C C 175.813 0.003 1 451 65 65 ASN CA C 53.726 0.031 1 452 65 65 ASN CB C 38.746 0.078 1 453 65 65 ASN N N 119.652 0.015 1 454 66 66 THR H H 8.189 0.001 1 455 66 66 THR HA H 4.221 0.010 1 456 66 66 THR HB H 4.195 0.045 1 457 66 66 THR C C 174.752 0.012 1 458 66 66 THR CA C 62.981 0.017 1 459 66 66 THR CB C 69.666 0.047 1 460 66 66 THR N N 114.025 0.023 1 461 67 67 LYS H H 8.093 0.006 1 462 67 67 LYS HA H 4.331 0.001 1 463 67 67 LYS HB2 H 1.746 0.000 1 464 67 67 LYS HB3 H 1.746 0.000 1 465 67 67 LYS C C 176.500 0.000 1 466 67 67 LYS CA C 56.248 0.003 1 467 67 67 LYS CB C 33.025 0.029 1 468 67 67 LYS N N 123.093 0.019 1 469 68 68 LEU H H 8.133 0.001 1 470 68 68 LEU HA H 4.309 0.004 1 471 68 68 LEU HB2 H 1.589 0.000 1 472 68 68 LEU HB3 H 1.589 0.000 1 473 68 68 LEU C C 177.587 0.001 1 474 68 68 LEU CA C 55.101 0.051 1 475 68 68 LEU CB C 42.286 0.041 1 476 68 68 LEU N N 122.888 0.023 1 477 69 69 ALA H H 8.257 0.005 1 478 69 69 ALA HA H 4.260 0.008 1 479 69 69 ALA HB H 1.376 0.004 1 480 69 69 ALA C C 177.614 0.007 1 481 69 69 ALA CA C 52.878 0.033 1 482 69 69 ALA CB C 19.194 0.057 1 483 69 69 ALA N N 124.313 0.007 1 484 70 70 ASP H H 8.093 0.002 1 485 70 70 ASP HA H 4.537 0.007 1 486 70 70 ASP HB2 H 2.694 0.008 1 487 70 70 ASP HB3 H 2.694 0.008 1 488 70 70 ASP C C 177.074 0.000 1 489 70 70 ASP CA C 54.426 0.038 1 490 70 70 ASP CB C 41.188 0.054 1 491 70 70 ASP N N 118.694 0.031 1 492 71 71 GLY HA2 H 3.936 0.005 1 493 71 71 GLY HA3 H 3.936 0.005 1 494 71 71 GLY C C 174.572 0.000 1 495 71 71 GLY CA C 45.680 0.049 1 496 71 71 GLY N N 109.380 0.000 1 497 72 72 SER H H 8.154 0.000 1 498 72 72 SER HA H 4.313 0.003 1 499 72 72 SER HB2 H 3.810 0.015 1 500 72 72 SER HB3 H 3.810 0.015 1 501 72 72 SER C C 174.230 0.005 1 502 72 72 SER CA C 59.033 0.026 1 503 72 72 SER CB C 63.790 0.044 1 504 72 72 SER N N 116.030 0.012 1 505 73 73 PHE H H 8.118 0.011 1 506 73 73 PHE HA H 4.584 0.005 1 507 73 73 PHE HB2 H 3.055 0.020 1 508 73 73 PHE HB3 H 3.055 0.020 1 509 73 73 PHE C C 175.750 0.000 1 510 73 73 PHE CA C 57.979 0.035 1 511 73 73 PHE CB C 39.523 0.032 1 512 73 73 PHE N N 120.768 0.033 1 513 74 74 ALA H H 8.095 0.002 1 514 74 74 ALA HA H 4.200 0.010 1 515 74 74 ALA HB H 1.285 0.014 1 516 74 74 ALA C C 177.485 0.001 1 517 74 74 ALA CA C 52.665 0.059 1 518 74 74 ALA CB C 19.232 0.038 1 519 74 74 ALA N N 124.560 0.014 1 520 75 75 LYS H H 8.077 0.006 1 521 75 75 LYS HA H 4.201 0.015 1 522 75 75 LYS HB2 H 1.673 0.012 1 523 75 75 LYS HB3 H 1.673 0.012 1 524 75 75 LYS C C 176.393 0.000 1 525 75 75 LYS CA C 56.440 0.013 1 526 75 75 LYS CB C 33.020 0.035 1 527 75 75 LYS N N 119.805 0.074 1 528 76 76 HIS HA H 4.611 0.022 1 529 76 76 HIS HB2 H 3.037 0.009 1 530 76 76 HIS HB3 H 3.037 0.009 1 531 76 76 HIS C C 175.948 0.000 1 532 76 76 HIS CA C 56.351 0.076 1 533 76 76 HIS CB C 31.125 0.060 1 534 76 76 HIS N N 119.654 0.000 1 535 77 77 GLY HA2 H 3.812 0.000 1 536 77 77 GLY HA3 H 3.812 0.000 1 537 77 77 GLY C C 173.922 0.001 1 538 77 77 GLY CA C 45.398 0.059 1 539 77 77 GLY N N 109.823 0.000 1 540 78 78 TYR H H 8.024 0.004 1 541 78 78 TYR HA H 4.483 0.001 1 542 78 78 TYR HB2 H 2.966 0.005 1 543 78 78 TYR HB3 H 2.966 0.005 1 544 78 78 TYR C C 175.690 0.013 1 545 78 78 TYR CA C 58.174 0.004 1 546 78 78 TYR CB C 38.754 0.011 1 547 78 78 TYR N N 120.094 0.021 1 548 79 79 ALA H H 8.112 0.009 1 549 79 79 ALA HA H 4.220 0.003 1 550 79 79 ALA HB H 1.304 0.005 1 551 79 79 ALA C C 177.126 0.025 1 552 79 79 ALA CA C 52.589 0.004 1 553 79 79 ALA CB C 19.313 0.009 1 554 79 79 ALA N N 125.418 0.031 1 555 80 80 ALA H H 8.004 0.003 1 556 80 80 ALA HA H 4.238 0.006 1 557 80 80 ALA HB H 1.336 0.007 1 558 80 80 ALA C C 177.764 0.000 1 559 80 80 ALA CA C 52.538 0.016 1 560 80 80 ALA CB C 19.186 0.082 1 561 80 80 ALA N N 122.721 0.047 1 562 81 81 LEU H H 8.002 0.002 1 563 81 81 LEU HA H 4.264 0.009 1 564 81 81 LEU HB2 H 1.595 0.003 1 565 81 81 LEU HB3 H 1.595 0.003 1 566 81 81 LEU C C 177.276 0.009 1 567 81 81 LEU CA C 55.372 0.043 1 568 81 81 LEU CB C 42.272 0.065 1 569 81 81 LEU N N 120.832 0.025 1 570 82 82 ALA H H 8.108 0.001 1 571 82 82 ALA HA H 4.265 0.003 1 572 82 82 ALA HB H 1.353 0.005 1 573 82 82 ALA C C 177.705 0.000 1 574 82 82 ALA CA C 52.663 0.030 1 575 82 82 ALA CB C 19.322 0.018 1 576 82 82 ALA N N 124.082 0.040 1 577 83 83 GLU H H 8.208 0.003 1 578 83 83 GLU HA H 4.221 0.016 1 579 83 83 GLU HB2 H 1.950 0.036 1 580 83 83 GLU HB3 H 1.950 0.036 1 581 83 83 GLU C C 176.444 0.008 1 582 83 83 GLU CA C 56.669 0.039 1 583 83 83 GLU CB C 30.170 0.068 1 584 83 83 GLU N N 119.425 0.015 1 585 84 84 LEU H H 8.079 0.003 1 586 84 84 LEU HA H 4.327 0.035 1 587 84 84 LEU HB2 H 1.565 0.028 1 588 84 84 LEU HB3 H 1.565 0.028 1 589 84 84 LEU C C 177.219 0.006 1 590 84 84 LEU CA C 55.223 0.020 1 591 84 84 LEU CB C 42.569 0.045 1 592 84 84 LEU N N 122.367 0.016 1 593 85 85 ASP H H 8.314 0.002 1 594 85 85 ASP HA H 4.614 0.006 1 595 85 85 ASP HB2 H 2.687 0.007 1 596 85 85 ASP HB3 H 2.687 0.007 1 597 85 85 ASP C C 176.673 0.002 1 598 85 85 ASP CA C 54.212 0.009 1 599 85 85 ASP CB C 41.353 0.017 1 600 85 85 ASP N N 121.079 0.019 1 601 86 86 SER H H 8.231 0.002 1 602 86 86 SER HA H 4.408 0.001 1 603 86 86 SER HB2 H 3.888 0.017 1 604 86 86 SER HB3 H 3.888 0.017 1 605 86 86 SER C C 174.693 0.003 1 606 86 86 SER CA C 58.796 0.008 1 607 86 86 SER CB C 63.675 0.027 1 608 86 86 SER N N 116.149 0.033 1 609 87 87 ASN H H 8.447 0.001 1 610 87 87 ASN HA H 4.738 0.016 1 611 87 87 ASN HB2 H 2.827 0.012 1 612 87 87 ASN HB3 H 2.827 0.012 1 613 87 87 ASN C C 175.799 0.002 1 614 87 87 ASN CA C 53.526 0.018 1 615 87 87 ASN CB C 39.222 0.067 1 616 87 87 ASN N N 120.433 0.006 1 617 88 88 GLY H H 8.274 0.000 1 618 88 88 GLY HA2 H 3.924 0.004 1 619 88 88 GLY HA3 H 3.924 0.004 1 620 88 88 GLY C C 174.017 0.002 1 621 88 88 GLY CA C 45.641 0.027 1 622 88 88 GLY N N 108.969 0.014 1 623 89 89 ASP H H 8.233 0.000 1 624 89 89 ASP HA H 4.599 0.009 1 625 89 89 ASP HB2 H 2.627 0.006 1 626 89 89 ASP HB3 H 2.627 0.006 1 627 89 89 ASP C C 176.085 0.004 1 628 89 89 ASP CA C 54.589 0.021 1 629 89 89 ASP CB C 41.218 0.013 1 630 89 89 ASP N N 120.374 0.006 1 631 90 90 ASN H H 8.346 0.004 1 632 90 90 ASN HA H 4.668 0.008 1 633 90 90 ASN HB2 H 2.755 0.006 1 634 90 90 ASN HB3 H 2.755 0.006 1 635 90 90 ASN C C 175.076 0.008 1 636 90 90 ASN CA C 53.503 0.041 1 637 90 90 ASN CB C 38.827 0.039 1 638 90 90 ASN N N 118.469 0.009 1 639 91 91 ILE H H 8.031 0.001 1 640 91 91 ILE HA H 4.117 0.004 1 641 91 91 ILE HB H 1.880 0.023 1 642 91 91 ILE C C 176.316 0.002 1 643 91 91 ILE CA C 61.419 0.014 1 644 91 91 ILE CB C 38.584 0.018 1 645 91 91 ILE N N 121.261 0.039 1 646 92 92 ILE H H 8.144 0.002 1 647 92 92 ILE HA H 4.111 0.001 1 648 92 92 ILE HB H 1.815 0.007 1 649 92 92 ILE C C 175.901 0.013 1 650 92 92 ILE CA C 61.157 0.066 1 651 92 92 ILE CB C 38.593 0.000 1 652 92 92 ILE N N 124.545 0.021 1 653 93 93 ASN H H 8.426 0.009 1 654 93 93 ASN HA H 4.690 0.005 1 655 93 93 ASN HB2 H 2.795 0.024 1 656 93 93 ASN HB3 H 2.795 0.024 1 657 93 93 ASN C C 175.104 0.001 1 658 93 93 ASN CA C 53.084 0.114 1 659 93 93 ASN CB C 39.002 0.002 1 660 93 93 ASN N N 122.926 0.040 1 661 94 94 ALA H H 8.271 0.003 1 662 94 94 ALA HA H 4.171 0.002 1 663 94 94 ALA HB H 1.370 0.004 1 664 94 94 ALA C C 178.020 0.002 1 665 94 94 ALA CA C 53.308 0.018 1 666 94 94 ALA CB C 19.091 0.019 1 667 94 94 ALA N N 125.140 0.081 1 668 95 95 ALA H H 8.221 0.004 1 669 95 95 ALA HA H 4.226 0.007 1 670 95 95 ALA HB H 1.383 0.005 1 671 95 95 ALA C C 178.089 0.002 1 672 95 95 ALA CA C 53.211 0.012 1 673 95 95 ALA CB C 18.997 0.061 1 674 95 95 ALA N N 122.009 0.010 1 675 96 96 ASP H H 8.035 0.003 1 676 96 96 ASP HA H 4.532 0.001 1 677 96 96 ASP HB2 H 2.693 0.003 1 678 96 96 ASP HB3 H 2.693 0.003 1 679 96 96 ASP C C 176.858 0.004 1 680 96 96 ASP CA C 54.788 0.019 1 681 96 96 ASP CB C 41.267 0.010 1 682 96 96 ASP N N 118.826 0.014 1 683 97 97 ALA H H 8.083 0.005 1 684 97 97 ALA HA H 4.181 0.002 1 685 97 97 ALA HB H 1.393 0.007 1 686 97 97 ALA C C 178.392 0.003 1 687 97 97 ALA CA C 53.578 0.001 1 688 97 97 ALA CB C 18.944 0.010 1 689 97 97 ALA N N 124.305 0.024 1 690 98 98 ALA H H 8.145 0.002 1 691 98 98 ALA HA H 4.174 0.003 1 692 98 98 ALA HB H 1.301 0.010 1 693 98 98 ALA C C 178.356 0.003 1 694 98 98 ALA CA C 53.396 0.085 1 695 98 98 ALA CB C 18.748 0.015 1 696 98 98 ALA N N 121.490 0.013 1 697 99 99 PHE H H 7.926 0.003 1 698 99 99 PHE HA H 4.496 0.000 1 699 99 99 PHE HB2 H 3.124 0.000 1 700 99 99 PHE HB3 H 3.124 0.000 1 701 99 99 PHE CA C 58.564 0.000 1 702 99 99 PHE CB C 39.236 0.000 1 703 99 99 PHE N N 118.278 0.020 1 704 100 100 GLN HA H 4.253 0.000 1 705 100 100 GLN HB2 H 1.990 0.000 1 706 100 100 GLN HB3 H 1.990 0.000 1 707 100 100 GLN C C 176.337 0.000 1 708 100 100 GLN CA C 56.427 0.000 1 709 100 100 GLN CB C 29.176 0.000 1 710 101 101 SER H H 8.103 0.000 1 711 101 101 SER HA H 4.351 0.000 1 712 101 101 SER HB2 H 3.875 0.010 1 713 101 101 SER HB3 H 3.875 0.010 1 714 101 101 SER C C 174.674 0.008 1 715 101 101 SER CA C 59.049 0.000 1 716 101 101 SER CB C 63.706 0.064 1 717 101 101 SER N N 115.646 0.026 1 718 102 102 LEU H H 7.982 0.003 1 719 102 102 LEU HA H 4.302 0.015 1 720 102 102 LEU HB2 H 1.599 0.010 1 721 102 102 LEU HB3 H 1.599 0.010 1 722 102 102 LEU C C 177.365 0.002 1 723 102 102 LEU CA C 55.713 0.018 1 724 102 102 LEU CB C 42.266 0.066 1 725 102 102 LEU N N 123.214 0.016 1 726 103 103 ARG H H 8.067 0.002 1 727 103 103 ARG HA H 4.210 0.009 1 728 103 103 ARG HB2 H 1.684 0.011 1 729 103 103 ARG HB3 H 1.684 0.011 1 730 103 103 ARG C C 176.332 0.003 1 731 103 103 ARG CA C 56.508 0.060 1 732 103 103 ARG CB C 30.539 0.015 1 733 103 103 ARG N N 121.186 0.014 1 734 104 104 VAL H H 7.896 0.005 1 735 104 104 VAL HA H 4.044 0.028 1 736 104 104 VAL HB H 2.008 0.014 1 737 104 104 VAL C C 176.124 0.007 1 738 104 104 VAL CA C 62.636 0.113 1 739 104 104 VAL CB C 32.568 0.015 1 740 104 104 VAL N N 120.130 0.019 1 741 105 105 TRP H H 8.092 0.005 1 742 105 105 TRP HA H 4.574 0.000 1 743 105 105 TRP HB2 H 3.248 0.004 1 744 105 105 TRP HB3 H 3.248 0.004 1 745 105 105 TRP C C 176.348 0.004 1 746 105 105 TRP CA C 57.915 0.002 1 747 105 105 TRP CB C 29.643 0.005 1 748 105 105 TRP N N 123.744 0.033 1 749 106 106 GLN H H 8.035 0.003 1 750 106 106 GLN HA H 4.158 0.016 1 751 106 106 GLN HB2 H 1.881 0.034 1 752 106 106 GLN HB3 H 1.881 0.034 1 753 106 106 GLN C C 175.362 0.004 1 754 106 106 GLN CA C 56.177 0.070 1 755 106 106 GLN CB C 29.986 0.046 1 756 106 106 GLN N N 121.296 0.020 1 757 107 107 ASP H H 8.145 0.006 1 758 107 107 ASP HA H 4.496 0.005 1 759 107 107 ASP HB2 H 2.608 0.030 1 760 107 107 ASP HB3 H 2.608 0.030 1 761 107 107 ASP C C 176.448 0.003 1 762 107 107 ASP CA C 54.565 0.012 1 763 107 107 ASP CB C 41.140 0.023 1 764 107 107 ASP N N 121.014 0.009 1 765 108 108 LEU H H 8.047 0.001 1 766 108 108 LEU HA H 4.270 0.035 1 767 108 108 LEU HB2 H 1.572 0.005 1 768 108 108 LEU HB3 H 1.572 0.005 1 769 108 108 LEU C C 177.379 0.014 1 770 108 108 LEU CA C 55.431 0.181 1 771 108 108 LEU CB C 42.424 0.140 1 772 108 108 LEU N N 122.230 0.044 1 773 109 109 ASN H H 8.316 0.002 1 774 109 109 ASN HA H 4.647 0.007 1 775 109 109 ASN HB2 H 2.740 0.010 1 776 109 109 ASN HB3 H 2.740 0.010 1 777 109 109 ASN C C 175.442 0.004 1 778 109 109 ASN CA C 53.493 0.037 1 779 109 109 ASN CB C 38.817 0.044 1 780 109 109 ASN N N 118.699 0.007 1 781 110 110 GLN H H 8.243 0.006 1 782 110 110 GLN HA H 4.277 0.008 1 783 110 110 GLN HB2 H 2.065 0.007 1 784 110 110 GLN HB3 H 2.065 0.007 1 785 110 110 GLN C C 175.901 0.011 1 786 110 110 GLN CA C 56.330 0.021 1 787 110 110 GLN CB C 29.280 0.005 1 788 110 110 GLN N N 120.351 0.004 1 789 111 111 ASP H H 8.311 0.000 1 790 111 111 ASP HA H 4.594 0.023 1 791 111 111 ASP HB2 H 2.659 0.012 1 792 111 111 ASP HB3 H 2.659 0.012 1 793 111 111 ASP C C 176.858 0.009 1 794 111 111 ASP CA C 54.752 0.083 1 795 111 111 ASP CB C 41.292 0.049 1 796 111 111 ASP N N 120.724 0.009 1 797 112 112 GLY H H 8.247 0.007 1 798 112 112 GLY HA2 H 3.928 0.009 1 799 112 112 GLY HA3 H 3.928 0.009 1 800 112 112 GLY C C 174.442 0.002 1 801 112 112 GLY CA C 45.706 0.027 1 802 112 112 GLY N N 108.933 0.013 1 803 113 113 ILE H H 7.889 0.002 1 804 113 113 ILE HA H 4.160 0.011 1 805 113 113 ILE HB H 1.866 0.003 1 806 113 113 ILE C C 176.604 0.002 1 807 113 113 ILE CA C 61.443 0.062 1 808 113 113 ILE CB C 38.689 0.080 1 809 113 113 ILE N N 120.019 0.001 1 810 114 114 SER H H 8.398 0.006 1 811 114 114 SER HA H 4.430 0.009 1 812 114 114 SER HB2 H 3.871 0.006 1 813 114 114 SER HB3 H 3.871 0.006 1 814 114 114 SER C C 174.859 0.004 1 815 114 114 SER CA C 58.659 0.018 1 816 114 114 SER CB C 63.734 0.023 1 817 114 114 SER N N 119.460 0.018 1 818 115 115 GLN H H 8.381 0.001 1 819 115 115 GLN HA H 4.324 0.000 1 820 115 115 GLN HB2 H 2.076 0.000 1 821 115 115 GLN HB3 H 2.076 0.000 1 822 115 115 GLN C C 175.980 0.005 1 823 115 115 GLN CA C 56.190 0.036 1 824 115 115 GLN CB C 29.452 0.000 1 825 115 115 GLN N N 122.456 0.036 1 826 116 116 ALA H H 8.236 0.004 1 827 116 116 ALA HA H 4.258 0.019 1 828 116 116 ALA HB H 1.365 0.007 1 829 116 116 ALA C C 177.887 0.005 1 830 116 116 ALA CA C 53.114 0.070 1 831 116 116 ALA CB C 19.026 0.058 1 832 116 116 ALA N N 124.338 0.013 1 833 117 117 ASN H H 8.310 0.000 1 834 117 117 ASN HA H 4.633 0.020 1 835 117 117 ASN HB2 H 2.785 0.021 1 836 117 117 ASN HB3 H 2.785 0.021 1 837 117 117 ASN C C 175.559 0.002 1 838 117 117 ASN CA C 53.743 0.058 1 839 117 117 ASN CB C 38.818 0.011 1 840 117 117 ASN N N 117.527 0.009 1 841 118 118 GLU H H 8.308 0.001 1 842 118 118 GLU HA H 4.226 0.004 1 843 118 118 GLU HB2 H 1.990 0.013 1 844 118 118 GLU HB3 H 1.990 0.013 1 845 118 118 GLU C C 176.616 0.005 1 846 118 118 GLU CA C 57.110 0.096 1 847 118 118 GLU CB C 30.217 0.034 1 848 118 118 GLU N N 121.091 0.006 1 849 119 119 LEU H H 8.133 0.004 1 850 119 119 LEU HA H 4.278 0.012 1 851 119 119 LEU HB2 H 1.630 0.025 1 852 119 119 LEU HB3 H 1.630 0.025 1 853 119 119 LEU C C 177.600 0.004 1 854 119 119 LEU CA C 55.680 0.047 1 855 119 119 LEU CB C 42.069 0.055 1 856 119 119 LEU N N 122.317 0.026 1 857 120 120 ARG H H 8.169 0.003 1 858 120 120 ARG HA H 4.399 0.020 1 859 120 120 ARG HB2 H 1.796 0.025 1 860 120 120 ARG HB3 H 1.796 0.025 1 861 120 120 ARG C C 176.757 0.003 1 862 120 120 ARG CA C 56.528 0.059 1 863 120 120 ARG CB C 30.940 0.006 1 864 120 120 ARG N N 121.408 0.020 1 865 121 121 THR H H 8.156 0.001 1 866 121 121 THR HA H 4.273 0.002 1 867 121 121 THR HB H 4.300 0.010 1 868 121 121 THR C C 174.996 0.002 1 869 121 121 THR CA C 62.448 0.034 1 870 121 121 THR CB C 69.902 0.020 1 871 121 121 THR N N 114.889 0.025 1 872 122 122 LEU H H 8.206 0.002 1 873 122 122 LEU HA H 4.211 0.006 1 874 122 122 LEU HB2 H 1.648 0.006 1 875 122 122 LEU HB3 H 1.648 0.006 1 876 122 122 LEU C C 178.330 0.009 1 877 122 122 LEU CA C 56.532 0.029 1 878 122 122 LEU CB C 41.923 0.027 1 879 122 122 LEU N N 122.830 0.018 1 880 123 123 GLU H H 8.326 0.002 1 881 123 123 GLU HA H 4.150 0.003 1 882 123 123 GLU HB2 H 2.007 0.007 1 883 123 123 GLU HB3 H 2.007 0.007 1 884 123 123 GLU C C 177.694 0.019 1 885 123 123 GLU CA C 57.932 0.043 1 886 123 123 GLU CB C 30.047 0.025 1 887 123 123 GLU N N 120.479 0.009 1 888 124 124 GLU H H 8.182 0.001 1 889 124 124 GLU HA H 4.174 0.007 1 890 124 124 GLU HB2 H 2.021 0.000 1 891 124 124 GLU HB3 H 2.021 0.000 1 892 124 124 GLU C C 177.194 0.004 1 893 124 124 GLU CA C 57.424 0.061 1 894 124 124 GLU CB C 30.089 0.023 1 895 124 124 GLU N N 120.861 0.015 1 896 125 125 LEU H H 8.069 0.000 1 897 125 125 LEU HA H 4.274 0.000 1 898 125 125 LEU HB2 H 1.569 0.000 2 899 125 125 LEU HB3 H 1.713 0.000 2 900 125 125 LEU C C 178.175 0.001 1 901 125 125 LEU CA C 55.740 0.005 1 902 125 125 LEU CB C 42.568 0.018 1 903 125 125 LEU N N 121.264 0.004 1 904 126 126 GLY H H 8.162 0.002 1 905 126 126 GLY HA2 H 3.929 0.000 1 906 126 126 GLY HA3 H 3.929 0.000 1 907 126 126 GLY C C 174.479 0.005 1 908 126 126 GLY CA C 45.669 0.002 1 909 126 126 GLY N N 108.352 0.032 1 910 127 127 ILE H H 7.829 0.004 1 911 127 127 ILE HA H 4.135 0.006 1 912 127 127 ILE HB H 1.868 0.007 1 913 127 127 ILE C C 176.423 0.005 1 914 127 127 ILE CA C 61.477 0.073 1 915 127 127 ILE CB C 38.703 0.036 1 916 127 127 ILE N N 119.664 0.007 1 917 128 128 GLN H H 8.391 0.003 1 918 128 128 GLN HA H 4.335 0.000 1 919 128 128 GLN HB2 H 2.072 0.013 1 920 128 128 GLN HB3 H 2.072 0.013 1 921 128 128 GLN C C 176.070 0.000 1 922 128 128 GLN CA C 56.137 0.002 1 923 128 128 GLN CB C 29.504 0.104 1 924 128 128 GLN N N 123.497 0.039 1 925 129 129 SER H H 8.189 0.004 1 926 129 129 SER HA H 4.386 0.011 1 927 129 129 SER HB2 H 3.849 0.006 1 928 129 129 SER HB3 H 3.849 0.006 1 929 129 129 SER C C 174.710 0.007 1 930 129 129 SER CA C 58.443 0.077 1 931 129 129 SER CB C 63.740 0.021 1 932 129 129 SER N N 116.420 0.075 1 933 130 130 LEU H H 8.218 0.001 1 934 130 130 LEU HA H 4.304 0.002 1 935 130 130 LEU HB2 H 1.606 0.005 1 936 130 130 LEU HB3 H 1.606 0.005 1 937 130 130 LEU C C 177.121 0.002 1 938 130 130 LEU CA C 55.634 0.064 1 939 130 130 LEU CB C 42.453 0.083 1 940 130 130 LEU N N 124.080 0.005 1 941 131 131 ASP H H 8.213 0.002 1 942 131 131 ASP HA H 4.541 0.011 1 943 131 131 ASP HB2 H 2.633 0.013 1 944 131 131 ASP HB3 H 2.633 0.013 1 945 131 131 ASP C C 176.613 0.010 1 946 131 131 ASP CA C 54.641 0.028 1 947 131 131 ASP CB C 41.142 0.063 1 948 131 131 ASP N N 120.453 0.015 1 949 132 132 LEU H H 8.002 0.001 1 950 132 132 LEU HA H 4.241 0.019 1 951 132 132 LEU HB2 H 1.606 0.000 1 952 132 132 LEU HB3 H 1.606 0.000 1 953 132 132 LEU C C 177.514 0.009 1 954 132 132 LEU CA C 55.619 0.021 1 955 132 132 LEU CB C 42.064 0.090 1 956 132 132 LEU N N 122.313 0.024 1 957 133 133 ALA H H 8.108 0.003 1 958 133 133 ALA HA H 4.206 0.007 1 959 133 133 ALA HB H 1.307 0.002 1 960 133 133 ALA C C 177.861 0.021 1 961 133 133 ALA CA C 53.043 0.045 1 962 133 133 ALA CB C 18.969 0.038 1 963 133 133 ALA N N 123.068 0.023 1 964 134 134 TYR H H 7.880 0.002 1 965 134 134 TYR HA H 4.448 0.009 1 966 134 134 TYR HB2 H 3.014 0.003 1 967 134 134 TYR HB3 H 3.014 0.003 1 968 134 134 TYR C C 175.922 0.000 1 969 134 134 TYR CA C 58.213 0.004 1 970 134 134 TYR CB C 38.361 0.009 1 971 134 134 TYR N N 118.184 0.064 1 972 135 135 LYS H H 7.829 0.015 1 973 135 135 LYS HA H 4.211 0.024 1 974 135 135 LYS HB2 H 1.711 0.000 1 975 135 135 LYS HB3 H 1.711 0.000 1 976 135 135 LYS C C 175.948 0.027 1 977 135 135 LYS CA C 56.446 0.093 1 978 135 135 LYS CB C 33.202 0.000 1 979 135 135 LYS N N 122.142 0.099 1 980 136 136 ASP H H 8.147 0.002 1 981 136 136 ASP HA H 4.581 0.018 1 982 136 136 ASP HB2 H 2.664 0.006 1 983 136 136 ASP HB3 H 2.664 0.006 1 984 136 136 ASP C C 176.611 0.012 1 985 136 136 ASP CA C 54.502 0.145 1 986 136 136 ASP CB C 41.197 0.071 1 987 136 136 ASP N N 120.973 0.105 1 988 137 137 VAL H H 7.925 0.001 1 989 137 137 VAL HA H 4.052 0.000 1 990 137 137 VAL HB H 2.121 0.000 1 991 137 137 VAL CA C 62.843 0.000 1 992 137 137 VAL CB C 32.287 0.000 1 993 137 137 VAL N N 119.714 0.007 1 994 139 139 LYS HA H 4.227 0.000 1 995 139 139 LYS HB2 H 1.777 0.000 1 996 139 139 LYS HB3 H 1.777 0.000 1 997 139 139 LYS C C 176.301 0.000 1 998 139 139 LYS CA C 56.730 0.000 1 999 139 139 LYS CB C 32.819 0.000 1 1000 140 140 ASN HA H 4.689 0.001 1 1001 140 140 ASN HB2 H 2.785 0.000 1 1002 140 140 ASN HB3 H 2.785 0.000 1 1003 140 140 ASN C C 175.255 0.005 1 1004 140 140 ASN CA C 53.395 0.039 1 1005 140 140 ASN CB C 38.739 0.000 1 1006 140 140 ASN N N 118.746 0.000 1 1007 141 141 LEU H H 8.108 0.005 1 1008 141 141 LEU HA H 4.327 0.009 1 1009 141 141 LEU HB2 H 1.632 0.004 1 1010 141 141 LEU HB3 H 1.632 0.004 1 1011 141 141 LEU C C 177.959 0.000 1 1012 141 141 LEU CA C 55.590 0.094 1 1013 141 141 LEU CB C 42.234 0.068 1 1014 141 141 LEU N N 122.098 0.051 1 1015 142 142 GLY HA2 H 3.947 0.000 1 1016 142 142 GLY HA3 H 3.947 0.000 1 1017 142 142 GLY CA C 45.558 0.000 1 1018 142 142 GLY N N 108.812 0.000 1 1019 147 147 LEU HA H 4.293 0.003 1 1020 147 147 LEU HB2 H 1.601 0.000 1 1021 147 147 LEU HB3 H 1.601 0.000 1 1022 147 147 LEU C C 177.445 0.009 1 1023 147 147 LEU CA C 55.578 0.075 1 1024 147 147 LEU CB C 42.175 0.000 1 1025 148 148 ALA H H 8.124 0.012 1 1026 148 148 ALA HA H 4.289 0.021 1 1027 148 148 ALA HB H 1.358 0.011 1 1028 148 148 ALA C C 177.466 0.000 1 1029 148 148 ALA CA C 52.657 0.101 1 1030 148 148 ALA CB C 19.401 0.234 1 1031 148 148 ALA N N 123.921 0.020 1 1032 149 149 GLN HA H 4.297 0.013 1 1033 149 149 GLN HB2 H 2.067 0.000 1 1034 149 149 GLN HB3 H 2.067 0.000 1 1035 149 149 GLN C C 176.204 0.000 1 1036 149 149 GLN CA C 56.050 0.056 1 1037 149 149 GLN CB C 29.469 0.000 1 1038 149 149 GLN N N 120.658 0.000 1 1039 150 150 GLN HA H 4.309 0.003 1 1040 150 150 GLN HB2 H 2.091 0.032 1 1041 150 150 GLN HB3 H 2.091 0.032 1 1042 150 150 GLN C C 176.535 0.000 1 1043 150 150 GLN CA C 56.263 0.037 1 1044 150 150 GLN CB C 29.363 0.123 1 1045 150 150 GLN N N 121.011 0.000 1 1046 151 151 GLY HA2 H 3.950 0.000 1 1047 151 151 GLY HA3 H 3.950 0.000 1 1048 151 151 GLY CA C 45.485 0.000 1 1049 151 151 GLY N N 109.716 0.000 1 1050 152 152 SER HA H 4.391 0.000 1 1051 152 152 SER HB2 H 3.778 0.000 1 1052 152 152 SER HB3 H 3.778 0.000 1 1053 152 152 SER C C 174.273 0.000 1 1054 152 152 SER CA C 58.326 0.000 1 1055 152 152 SER CB C 63.790 0.000 1 1056 153 153 TYR N N 122.033 0.000 1 1057 162 162 LYS HA H 4.314 0.000 1 1058 162 162 LYS HB2 H 1.791 0.000 1 1059 162 162 LYS HB3 H 1.791 0.000 1 1060 162 162 LYS C C 176.654 0.000 1 1061 162 162 LYS CA C 56.168 0.000 1 1062 162 162 LYS CB C 33.066 0.000 1 1063 163 163 MET HA H 4.297 0.000 1 1064 163 163 MET CA C 56.007 0.000 1 1065 163 163 MET N N 121.672 0.000 1 1066 164 164 GLY H H 8.375 0.000 1 1067 164 164 GLY HA2 H 3.927 0.003 1 1068 164 164 GLY HA3 H 3.927 0.003 1 1069 164 164 GLY C C 174.020 0.004 1 1070 164 164 GLY CA C 45.598 0.006 1 1071 164 164 GLY N N 109.826 0.000 1 1072 165 165 ASP H H 8.133 0.004 1 1073 165 165 ASP HA H 4.560 0.009 1 1074 165 165 ASP HB2 H 2.626 0.014 1 1075 165 165 ASP HB3 H 2.626 0.014 1 1076 165 165 ASP C C 176.628 0.002 1 1077 165 165 ASP CA C 54.719 0.040 1 1078 165 165 ASP CB C 41.223 0.024 1 1079 165 165 ASP N N 120.587 0.018 1 1080 166 166 LEU H H 8.090 0.002 1 1081 166 166 LEU HA H 4.264 0.003 1 1082 166 166 LEU HB2 H 1.614 0.002 1 1083 166 166 LEU HB3 H 1.614 0.002 1 1084 166 166 LEU C C 177.434 0.008 1 1085 166 166 LEU CA C 55.701 0.018 1 1086 166 166 LEU CB C 42.218 0.036 1 1087 166 166 LEU N N 122.056 0.006 1 1088 167 167 LEU H H 8.103 0.000 1 1089 167 167 LEU HA H 4.298 0.001 1 1090 167 167 LEU HB2 H 1.607 0.005 1 1091 167 167 LEU HB3 H 1.607 0.005 1 1092 167 167 LEU C C 177.292 0.009 1 1093 167 167 LEU CA C 55.492 0.030 1 1094 167 167 LEU CB C 42.126 0.031 1 1095 167 167 LEU N N 122.073 0.014 1 1096 168 168 LEU H H 7.975 0.004 1 1097 168 168 LEU HA H 4.334 0.019 1 1098 168 168 LEU HB2 H 1.594 0.002 1 1099 168 168 LEU HB3 H 1.594 0.002 1 1100 168 168 LEU C C 177.087 0.003 1 1101 168 168 LEU CA C 55.212 0.105 1 1102 168 168 LEU CB C 42.354 0.034 1 1103 168 168 LEU N N 122.308 0.009 1 1104 169 169 ALA H H 8.075 0.005 1 1105 169 169 ALA HA H 4.275 0.006 1 1106 169 169 ALA HB H 1.383 0.004 1 1107 169 169 ALA C C 177.587 0.005 1 1108 169 169 ALA CA C 52.538 0.020 1 1109 169 169 ALA CB C 19.282 0.008 1 1110 169 169 ALA N N 124.345 0.013 1 1111 170 170 ALA H H 8.137 0.003 1 1112 170 170 ALA HA H 4.256 0.006 1 1113 170 170 ALA HB H 1.378 0.010 1 1114 170 170 ALA C C 177.617 0.000 1 1115 170 170 ALA CA C 52.838 0.032 1 1116 170 170 ALA CB C 19.239 0.021 1 1117 170 170 ALA N N 122.816 0.007 1 1118 171 171 ASP H H 8.158 0.003 1 1119 171 171 ASP HA H 4.544 0.001 1 1120 171 171 ASP HB2 H 2.671 0.013 1 1121 171 171 ASP HB3 H 2.671 0.013 1 1122 171 171 ASP C C 176.211 0.001 1 1123 171 171 ASP CA C 54.460 0.037 1 1124 171 171 ASP CB C 41.172 0.009 1 1125 171 171 ASP N N 118.527 0.014 1 1126 172 172 ASN H H 8.208 0.003 1 1127 172 172 ASN HA H 4.666 0.008 1 1128 172 172 ASN HB2 H 2.777 0.024 1 1129 172 172 ASN HB3 H 2.777 0.024 1 1130 172 172 ASN C C 175.457 0.001 1 1131 172 172 ASN CA C 53.573 0.056 1 1132 172 172 ASN CB C 38.838 0.048 1 1133 172 172 ASN N N 118.233 0.013 1 1134 173 173 LEU H H 8.100 0.001 1 1135 173 173 LEU HA H 4.217 0.000 1 1136 173 173 LEU HB2 H 1.505 0.000 1 1137 173 173 LEU HB3 H 1.505 0.000 1 1138 173 173 LEU CA C 55.990 0.000 1 1139 173 173 LEU CB C 42.106 0.000 1 1140 173 173 LEU N N 121.441 0.018 1 1141 174 174 HIS HA H 4.583 0.000 1 1142 174 174 HIS HB2 H 3.113 0.000 1 1143 174 174 HIS HB3 H 3.113 0.000 1 1144 174 174 HIS C C 175.717 0.000 1 1145 174 174 HIS CA C 56.558 0.000 1 1146 174 174 HIS CB C 30.645 0.000 1 1147 175 175 SER HA H 4.361 0.000 1 1148 175 175 SER HB2 H 3.801 0.000 1 1149 175 175 SER HB3 H 3.801 0.000 1 1150 175 175 SER C C 174.482 0.000 1 1151 175 175 SER CA C 58.586 0.000 1 1152 175 175 SER CB C 63.663 0.000 1 1153 175 175 SER N N 115.994 0.000 1 1154 176 176 ARG H H 8.183 0.000 1 1155 176 176 ARG HA H 4.260 0.013 1 1156 176 176 ARG HB2 H 1.674 0.000 1 1157 176 176 ARG HB3 H 1.674 0.000 1 1158 176 176 ARG C C 175.808 0.011 1 1159 176 176 ARG CA C 56.293 0.039 1 1160 176 176 ARG CB C 30.728 0.000 1 1161 176 176 ARG N N 122.388 0.025 1 1162 177 177 PHE H H 8.133 0.004 1 1163 177 177 PHE HA H 4.647 0.007 1 1164 177 177 PHE HB2 H 2.960 0.011 2 1165 177 177 PHE HB3 H 3.183 0.020 2 1166 177 177 PHE C C 175.344 0.001 1 1167 177 177 PHE CA C 57.606 0.052 1 1168 177 177 PHE CB C 39.412 0.091 1 1169 177 177 PHE N N 120.600 0.024 1 1170 178 178 LEU H H 8.046 0.000 1 1171 178 178 LEU HA H 4.347 0.004 1 1172 178 178 LEU HB2 H 1.596 0.004 1 1173 178 178 LEU HB3 H 1.596 0.004 1 1174 178 178 LEU C C 175.967 0.002 1 1175 178 178 LEU CA C 55.114 0.020 1 1176 178 178 LEU CB C 42.601 0.020 1 1177 178 178 LEU N N 123.853 0.007 1 1178 179 179 GLU H H 7.739 0.002 1 1179 179 179 GLU HA H 4.077 0.000 1 1180 179 179 GLU HB2 H 1.925 0.000 1 1181 179 179 GLU HB3 H 1.925 0.000 1 1182 179 179 GLU CA C 58.010 0.000 1 1183 179 179 GLU CB C 31.343 0.000 1 1184 179 179 GLU N N 126.362 0.006 1 stop_ save_