data_18298 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Domain interaction in Thermotoga maritima NusG ; _BMRB_accession_number 18298 _BMRB_flat_file_name bmr18298.str _Entry_type original _Submission_date 2012-02-27 _Accession_date 2012-02-27 _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 Droegemueller Johanna . . 2 Stegmann Christian . . 3 Burmann Bjoern . . 4 Roesch Paul . . 5 Wahl Markus C. . 6 Schweimer Kristian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 989 "13C chemical shifts" 549 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2013-01-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An autoinhibited state in the structure of Thermotoga maritima NusG.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23415559 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Drogemuller Johanna . . 2 Stegmann Christian M. . 3 Mandal Angshuman . . 4 Steiner Thomas . . 5 Burmann Bjorn M. . 6 Gottesman Max E. . 7 Wohrl Birgitta M. . 8 Rosch Paul . . 9 Wahl Markus C. . 10 Schweimer Kristian . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 365 _Page_last 375 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NusG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NusG $NusG 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_NusG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 20178.822 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; GAMKKKWYIVLTMSGYEEKV KENIEKKVEATGIKNLVGRI VIPIRGGQRRKSEKLFPGYV FVEMIMNDEAYNFVRSVPYV MGFVSSGGQPVPVKDREMRP ILRLAGLEEYEEKKKPVKVE LGFKVGDMVKIISGPFEDFA GVIKEIDPERQELKVNVTIF GRETPVVLHVSEVEKIE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 LYS 5 LYS 6 LYS 7 TRP 8 TYR 9 ILE 10 VAL 11 LEU 12 THR 13 MET 14 SER 15 GLY 16 TYR 17 GLU 18 GLU 19 LYS 20 VAL 21 LYS 22 GLU 23 ASN 24 ILE 25 GLU 26 LYS 27 LYS 28 VAL 29 GLU 30 ALA 31 THR 32 GLY 33 ILE 34 LYS 35 ASN 36 LEU 37 VAL 38 GLY 39 ARG 40 ILE 41 VAL 42 ILE 43 PRO 44 ILE 45 ARG 46 GLY 47 GLY 48 GLN 49 ARG 50 ARG 51 LYS 52 SER 53 GLU 54 LYS 55 LEU 56 PHE 57 PRO 58 GLY 59 TYR 60 VAL 61 PHE 62 VAL 63 GLU 64 MET 65 ILE 66 MET 67 ASN 68 ASP 69 GLU 70 ALA 71 TYR 72 ASN 73 PHE 74 VAL 75 ARG 76 SER 77 VAL 78 PRO 79 TYR 80 VAL 81 MET 82 GLY 83 PHE 84 VAL 85 SER 86 SER 87 GLY 88 GLY 89 GLN 90 PRO 91 VAL 92 PRO 93 VAL 94 LYS 95 ASP 96 ARG 97 GLU 98 MET 99 ARG 100 PRO 101 ILE 102 LEU 103 ARG 104 LEU 105 ALA 106 GLY 107 LEU 108 GLU 109 GLU 110 TYR 111 GLU 112 GLU 113 LYS 114 LYS 115 LYS 116 PRO 117 VAL 118 LYS 119 VAL 120 GLU 121 LEU 122 GLY 123 PHE 124 LYS 125 VAL 126 GLY 127 ASP 128 MET 129 VAL 130 LYS 131 ILE 132 ILE 133 SER 134 GLY 135 PRO 136 PHE 137 GLU 138 ASP 139 PHE 140 ALA 141 GLY 142 VAL 143 ILE 144 LYS 145 GLU 146 ILE 147 ASP 148 PRO 149 GLU 150 ARG 151 GLN 152 GLU 153 LEU 154 LYS 155 VAL 156 ASN 157 VAL 158 THR 159 ILE 160 PHE 161 GLY 162 ARG 163 GLU 164 THR 165 PRO 166 VAL 167 VAL 168 LEU 169 HIS 170 VAL 171 SER 172 GLU 173 VAL 174 GLU 175 LYS 176 ILE 177 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-18 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 PDB 2LQ8 "Domain Interaction In Thermotoga Maritima Nusg" 100.00 177 100.00 100.00 4.37e-119 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NusG 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima 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 $NusG 'recombinant technology' . Escherichia coli . pET-M11 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 $NusG 0.4 mM '[U-95% 13C; U-95% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'equipped with CryoProbe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'equipped with CryoProbe' save_ save_spectrometer_3 _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_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 323 . 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 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' 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 NusG _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 ALA HA H 4.30 0.03 1 2 2 2 ALA HB H 1.40 0.03 1 3 2 2 ALA CA C 52.58 0.20 1 4 2 2 ALA CB C 19.52 0.20 1 5 5 5 LYS HA H 4.02 0.03 1 6 5 5 LYS HB2 H 1.36 0.03 2 7 5 5 LYS HB3 H 1.45 0.03 2 8 5 5 LYS HG2 H 1.49 0.03 2 9 5 5 LYS HG3 H 1.07 0.03 2 10 5 5 LYS HD2 H 1.25 0.03 2 11 5 5 LYS HD3 H 1.25 0.03 2 12 5 5 LYS HE2 H 2.60 0.03 2 13 5 5 LYS HE3 H 2.60 0.03 2 14 5 5 LYS CA C 57.01 0.20 1 15 5 5 LYS CB C 34.07 0.20 1 16 5 5 LYS CG C 26.11 0.20 1 17 5 5 LYS CD C 29.65 0.20 1 18 5 5 LYS CE C 41.68 0.20 1 19 6 6 LYS H H 8.20 0.03 1 20 6 6 LYS HA H 4.61 0.03 1 21 6 6 LYS HB2 H 1.67 0.03 2 22 6 6 LYS HB3 H 1.67 0.03 2 23 6 6 LYS HG2 H 1.47 0.03 2 24 6 6 LYS HG3 H 1.47 0.03 2 25 6 6 LYS HD2 H 1.67 0.03 2 26 6 6 LYS HD3 H 1.74 0.03 2 27 6 6 LYS HE2 H 3.02 0.03 2 28 6 6 LYS HE3 H 3.02 0.03 2 29 6 6 LYS CA C 54.38 0.20 1 30 6 6 LYS CB C 36.28 0.20 1 31 6 6 LYS CG C 25.75 0.20 1 32 6 6 LYS CD C 29.38 0.20 1 33 6 6 LYS CE C 42.50 0.20 1 34 6 6 LYS N N 121.78 0.20 1 35 7 7 TRP H H 8.56 0.03 1 36 7 7 TRP HA H 5.05 0.03 1 37 7 7 TRP HB2 H 3.06 0.03 2 38 7 7 TRP HB3 H 3.13 0.03 2 39 7 7 TRP HD1 H 7.34 0.03 1 40 7 7 TRP HE1 H 9.89 0.03 1 41 7 7 TRP HE3 H 7.39 0.03 1 42 7 7 TRP HZ2 H 7.03 0.03 1 43 7 7 TRP HZ3 H 6.87 0.03 1 44 7 7 TRP HH2 H 6.61 0.03 1 45 7 7 TRP CA C 57.36 0.20 1 46 7 7 TRP CB C 31.11 0.20 1 47 7 7 TRP N N 119.83 0.20 1 48 7 7 TRP NE1 N 127.56 0.20 1 49 8 8 TYR H H 9.24 0.03 1 50 8 8 TYR HA H 4.73 0.03 1 51 8 8 TYR HB2 H 2.74 0.03 2 52 8 8 TYR HB3 H 3.36 0.03 2 53 8 8 TYR HD1 H 7.04 0.03 1 54 8 8 TYR HD2 H 7.04 0.03 1 55 8 8 TYR HE1 H 6.49 0.03 1 56 8 8 TYR HE2 H 6.49 0.03 1 57 8 8 TYR CA C 57.20 0.20 1 58 8 8 TYR CB C 42.05 0.20 1 59 8 8 TYR N N 119.95 0.20 1 60 9 9 ILE H H 9.27 0.03 1 61 9 9 ILE HA H 4.10 0.03 1 62 9 9 ILE HB H 1.15 0.03 1 63 9 9 ILE HG12 H 0.87 0.03 2 64 9 9 ILE HG13 H 1.08 0.03 2 65 9 9 ILE HG2 H -0.56 0.03 1 66 9 9 ILE HD1 H -0.02 0.03 1 67 9 9 ILE CA C 61.32 0.20 1 68 9 9 ILE CB C 38.62 0.20 1 69 9 9 ILE CG1 C 27.05 0.20 1 70 9 9 ILE CG2 C 17.84 0.20 1 71 9 9 ILE CD1 C 13.08 0.20 1 72 9 9 ILE N N 119.61 0.20 1 73 10 10 VAL H H 9.00 0.03 1 74 10 10 VAL HA H 3.80 0.03 1 75 10 10 VAL HB H 1.78 0.03 1 76 10 10 VAL HG1 H 0.56 0.03 2 77 10 10 VAL HG2 H 0.42 0.03 2 78 10 10 VAL CA C 61.42 0.20 1 79 10 10 VAL CB C 32.90 0.20 1 80 10 10 VAL CG1 C 22.66 0.20 2 81 10 10 VAL CG2 C 23.57 0.20 2 82 10 10 VAL N N 128.38 0.20 1 83 11 11 LEU H H 8.19 0.03 1 84 11 11 LEU HA H 5.08 0.03 1 85 11 11 LEU HB2 H 1.30 0.03 2 86 11 11 LEU HB3 H 1.20 0.03 2 87 11 11 LEU HG H 1.20 0.03 1 88 11 11 LEU HD1 H 0.69 0.03 2 89 11 11 LEU HD2 H 0.75 0.03 2 90 11 11 LEU CA C 53.04 0.20 1 91 11 11 LEU CB C 44.24 0.20 1 92 11 11 LEU CG C 27.00 0.20 1 93 11 11 LEU CD1 C 25.39 0.20 2 94 11 11 LEU CD2 C 24.25 0.20 2 95 11 11 LEU N N 125.33 0.20 1 96 12 12 THR H H 9.15 0.03 1 97 12 12 THR HA H 4.75 0.03 1 98 12 12 THR HB H 4.06 0.03 1 99 12 12 THR HG2 H 0.96 0.03 1 100 12 12 THR CA C 59.74 0.20 1 101 12 12 THR CB C 70.74 0.20 1 102 12 12 THR N N 116.62 0.20 1 103 13 13 MET H H 8.28 0.03 1 104 13 13 MET HA H 4.38 0.03 1 105 13 13 MET HB2 H 1.71 0.03 2 106 13 13 MET HB3 H 2.07 0.03 2 107 13 13 MET CA C 55.65 0.20 1 108 13 13 MET CB C 33.48 0.20 1 109 13 13 MET N N 120.64 0.20 1 110 14 14 SER HA H 4.24 0.03 1 111 14 14 SER HB2 H 3.89 0.03 2 112 14 14 SER HB3 H 3.89 0.03 2 113 14 14 SER CA C 60.05 0.20 1 114 14 14 SER CB C 62.84 0.20 1 115 15 15 GLY H H 9.15 0.03 1 116 15 15 GLY HA2 H 3.78 0.03 2 117 15 15 GLY HA3 H 4.42 0.03 2 118 15 15 GLY CA C 45.31 0.20 1 119 15 15 GLY N N 116.58 0.20 1 120 16 16 TYR H H 8.00 0.03 1 121 16 16 TYR HA H 4.45 0.03 1 122 16 16 TYR HB2 H 2.91 0.03 2 123 16 16 TYR HB3 H 3.06 0.03 2 124 16 16 TYR HD1 H 6.38 0.03 1 125 16 16 TYR HD2 H 6.38 0.03 1 126 16 16 TYR HE1 H 6.48 0.03 1 127 16 16 TYR HE2 H 6.48 0.03 1 128 16 16 TYR CA C 58.60 0.20 1 129 16 16 TYR CB C 38.03 0.20 1 130 16 16 TYR N N 119.70 0.20 1 131 17 17 GLU H H 10.43 0.03 1 132 17 17 GLU HA H 3.60 0.03 1 133 17 17 GLU HB2 H 1.86 0.03 2 134 17 17 GLU HB3 H 1.98 0.03 2 135 17 17 GLU HG2 H 2.98 0.03 2 136 17 17 GLU HG3 H 2.25 0.03 2 137 17 17 GLU CA C 62.54 0.20 1 138 17 17 GLU CB C 28.63 0.20 1 139 17 17 GLU CG C 36.00 0.20 1 140 17 17 GLU N N 123.18 0.20 1 141 18 18 GLU H H 9.09 0.03 1 142 18 18 GLU HA H 3.81 0.03 1 143 18 18 GLU HB2 H 2.01 0.03 2 144 18 18 GLU HB3 H 2.01 0.03 2 145 18 18 GLU HG2 H 2.51 0.03 2 146 18 18 GLU HG3 H 2.25 0.03 2 147 18 18 GLU CA C 60.82 0.20 1 148 18 18 GLU CB C 28.41 0.20 1 149 18 18 GLU CG C 37.62 0.20 1 150 18 18 GLU N N 116.36 0.20 1 151 19 19 LYS H H 7.46 0.03 1 152 19 19 LYS HA H 4.17 0.03 1 153 19 19 LYS HB2 H 1.92 0.03 2 154 19 19 LYS HB3 H 1.92 0.03 2 155 19 19 LYS HG2 H 1.51 0.03 2 156 19 19 LYS HG3 H 1.51 0.03 2 157 19 19 LYS HD2 H 1.52 0.03 2 158 19 19 LYS HD3 H 1.63 0.03 2 159 19 19 LYS HE2 H 2.91 0.03 2 160 19 19 LYS HE3 H 2.91 0.03 2 161 19 19 LYS CA C 58.39 0.20 1 162 19 19 LYS CB C 31.87 0.20 1 163 19 19 LYS CG C 24.96 0.20 1 164 19 19 LYS CD C 28.69 0.20 1 165 19 19 LYS CE C 42.08 0.20 1 166 19 19 LYS N N 119.76 0.20 1 167 20 20 VAL H H 8.31 0.03 1 168 20 20 VAL HA H 3.68 0.03 1 169 20 20 VAL HB H 2.32 0.03 1 170 20 20 VAL HG1 H 1.19 0.03 2 171 20 20 VAL HG2 H 0.77 0.03 2 172 20 20 VAL CA C 68.08 0.20 1 173 20 20 VAL CB C 31.38 0.20 1 174 20 20 VAL CG1 C 24.94 0.20 2 175 20 20 VAL CG2 C 21.86 0.20 2 176 20 20 VAL N N 121.29 0.20 1 177 21 21 LYS H H 7.86 0.03 1 178 21 21 LYS HA H 3.86 0.03 1 179 21 21 LYS HB2 H 1.63 0.03 2 180 21 21 LYS HB3 H 2.12 0.03 2 181 21 21 LYS HG2 H 1.31 0.03 2 182 21 21 LYS HG3 H 1.38 0.03 2 183 21 21 LYS HD2 H 1.46 0.03 2 184 21 21 LYS HD3 H 1.81 0.03 2 185 21 21 LYS HE2 H 3.11 0.03 2 186 21 21 LYS HE3 H 3.20 0.03 2 187 21 21 LYS CA C 60.83 0.20 1 188 21 21 LYS CB C 33.59 0.20 1 189 21 21 LYS CG C 24.58 0.20 1 190 21 21 LYS CD C 30.45 0.20 1 191 21 21 LYS CE C 42.43 0.20 1 192 21 21 LYS N N 119.62 0.20 1 193 22 22 GLU H H 8.16 0.03 1 194 22 22 GLU HA H 4.20 0.03 1 195 22 22 GLU HB2 H 2.13 0.03 2 196 22 22 GLU HB3 H 2.17 0.03 2 197 22 22 GLU HG2 H 2.43 0.03 2 198 22 22 GLU HG3 H 2.38 0.03 2 199 22 22 GLU CA C 59.10 0.20 1 200 22 22 GLU CB C 30.00 0.20 1 201 22 22 GLU CG C 36.47 0.20 1 202 22 22 GLU N N 116.94 0.20 1 203 23 23 ASN H H 8.54 0.03 1 204 23 23 ASN HA H 4.53 0.03 1 205 23 23 ASN HB2 H 2.72 0.03 2 206 23 23 ASN HB3 H 3.06 0.03 2 207 23 23 ASN CA C 56.15 0.20 1 208 23 23 ASN CB C 39.05 0.20 1 209 23 23 ASN N N 117.54 0.20 1 210 24 24 ILE H H 8.80 0.03 1 211 24 24 ILE HA H 3.66 0.03 1 212 24 24 ILE HB H 2.01 0.03 1 213 24 24 ILE HG12 H 0.83 0.03 2 214 24 24 ILE HG13 H 2.24 0.03 2 215 24 24 ILE HG2 H 1.01 0.03 1 216 24 24 ILE HD1 H 0.78 0.03 1 217 24 24 ILE CA C 67.06 0.20 1 218 24 24 ILE CB C 38.13 0.20 1 219 24 24 ILE CG1 C 30.34 0.20 1 220 24 24 ILE CG2 C 18.51 0.20 1 221 24 24 ILE CD1 C 14.15 0.20 1 222 24 24 ILE N N 121.52 0.20 1 223 25 25 GLU H H 8.29 0.03 1 224 25 25 GLU HA H 3.89 0.03 1 225 25 25 GLU HB2 H 2.03 0.03 2 226 25 25 GLU HB3 H 2.35 0.03 2 227 25 25 GLU HG2 H 2.28 0.03 2 228 25 25 GLU HG3 H 2.68 0.03 2 229 25 25 GLU CA C 60.51 0.20 1 230 25 25 GLU CB C 29.36 0.20 1 231 25 25 GLU CG C 37.49 0.20 1 232 25 25 GLU N N 118.66 0.20 1 233 26 26 LYS H H 8.65 0.03 1 234 26 26 LYS HA H 4.20 0.03 1 235 26 26 LYS HB2 H 2.03 0.03 2 236 26 26 LYS HB3 H 1.93 0.03 2 237 26 26 LYS HG2 H 1.60 0.03 2 238 26 26 LYS HG3 H 1.74 0.03 2 239 26 26 LYS HD2 H 1.74 0.03 2 240 26 26 LYS HD3 H 1.74 0.03 2 241 26 26 LYS HE2 H 3.01 0.03 2 242 26 26 LYS HE3 H 3.01 0.03 2 243 26 26 LYS CA C 59.10 0.20 1 244 26 26 LYS CB C 32.57 0.20 1 245 26 26 LYS CG C 25.63 0.20 1 246 26 26 LYS CD C 29.03 0.20 1 247 26 26 LYS CE C 42.00 0.20 1 248 26 26 LYS N N 118.22 0.20 1 249 27 27 LYS H H 8.00 0.03 1 250 27 27 LYS HA H 4.26 0.03 1 251 27 27 LYS HB2 H 1.95 0.03 2 252 27 27 LYS HB3 H 1.95 0.03 2 253 27 27 LYS HG2 H 1.29 0.03 2 254 27 27 LYS HG3 H 1.44 0.03 2 255 27 27 LYS HD2 H 1.35 0.03 2 256 27 27 LYS HD3 H 0.87 0.03 2 257 27 27 LYS HE2 H 2.33 0.03 2 258 27 27 LYS HE3 H 2.58 0.03 2 259 27 27 LYS CA C 59.52 0.20 1 260 27 27 LYS CB C 32.95 0.20 1 261 27 27 LYS CG C 26.08 0.20 1 262 27 27 LYS CD C 29.99 0.20 1 263 27 27 LYS CE C 41.83 0.20 1 264 27 27 LYS N N 121.81 0.20 1 265 28 28 VAL H H 8.71 0.03 1 266 28 28 VAL HA H 3.66 0.03 1 267 28 28 VAL HB H 2.35 0.03 1 268 28 28 VAL HG1 H 1.16 0.03 2 269 28 28 VAL HG2 H 0.97 0.03 2 270 28 28 VAL CA C 67.06 0.20 1 271 28 28 VAL CB C 31.94 0.20 1 272 28 28 VAL CG1 C 22.00 0.20 2 273 28 28 VAL CG2 C 21.00 0.20 2 274 28 28 VAL N N 122.37 0.20 1 275 29 29 GLU H H 7.64 0.03 1 276 29 29 GLU HA H 4.05 0.03 1 277 29 29 GLU HB2 H 2.16 0.03 2 278 29 29 GLU HB3 H 2.16 0.03 2 279 29 29 GLU HG2 H 2.30 0.03 2 280 29 29 GLU HG3 H 2.38 0.03 2 281 29 29 GLU CA C 59.15 0.20 1 282 29 29 GLU CB C 29.85 0.20 1 283 29 29 GLU CG C 36.10 0.20 1 284 29 29 GLU N N 118.96 0.20 1 285 30 30 ALA H H 8.25 0.03 1 286 30 30 ALA HA H 4.26 0.03 1 287 30 30 ALA HB H 1.57 0.03 1 288 30 30 ALA CA C 54.57 0.20 1 289 30 30 ALA CB C 19.29 0.20 1 290 30 30 ALA N N 119.82 0.20 1 291 31 31 THR H H 7.97 0.03 1 292 31 31 THR HA H 4.40 0.03 1 293 31 31 THR HB H 4.30 0.03 1 294 31 31 THR HG2 H 1.40 0.03 1 295 31 31 THR CA C 62.78 0.20 1 296 31 31 THR CB C 71.50 0.20 1 297 31 31 THR N N 106.19 0.20 1 298 32 32 GLY HA2 H 3.91 0.03 2 299 32 32 GLY HA3 H 4.12 0.03 2 300 32 32 GLY CA C 46.33 0.20 1 301 33 33 ILE H H 7.49 0.03 1 302 33 33 ILE HA H 4.23 0.03 1 303 33 33 ILE HB H 1.85 0.03 1 304 33 33 ILE HG12 H 1.33 0.03 2 305 33 33 ILE HG13 H 0.98 0.03 2 306 33 33 ILE HG2 H 0.63 0.03 1 307 33 33 ILE HD1 H 0.63 0.03 1 308 33 33 ILE CA C 61.22 0.20 1 309 33 33 ILE CB C 37.12 0.20 1 310 33 33 ILE CG1 C 27.33 0.20 1 311 33 33 ILE CG2 C 17.61 0.20 1 312 33 33 ILE CD1 C 12.84 0.20 1 313 33 33 ILE N N 119.09 0.20 1 314 34 34 LYS H H 7.88 0.03 1 315 34 34 LYS HA H 4.27 0.03 1 316 34 34 LYS HB2 H 1.69 0.03 2 317 34 34 LYS HB3 H 1.89 0.03 2 318 34 34 LYS HG2 H 1.35 0.03 2 319 34 34 LYS HG3 H 1.35 0.03 2 320 34 34 LYS HD2 H 1.69 0.03 2 321 34 34 LYS HD3 H 1.69 0.03 2 322 34 34 LYS HE2 H 2.98 0.03 2 323 34 34 LYS HE3 H 2.86 0.03 2 324 34 34 LYS CA C 57.30 0.20 1 325 34 34 LYS CB C 33.17 0.20 1 326 34 34 LYS CG C 25.98 0.20 1 327 34 34 LYS CD C 29.11 0.20 1 328 34 34 LYS CE C 42.21 0.20 1 329 34 34 LYS N N 123.55 0.20 1 330 35 35 ASN HA H 4.54 0.03 1 331 35 35 ASN HB2 H 2.74 0.03 2 332 35 35 ASN HB3 H 2.83 0.03 2 333 35 35 ASN CA C 54.19 0.20 1 334 35 35 ASN CB C 37.99 0.20 1 335 36 36 LEU H H 7.64 0.03 1 336 36 36 LEU HA H 4.37 0.03 1 337 36 36 LEU HB2 H 1.48 0.03 2 338 36 36 LEU HB3 H 1.37 0.03 2 339 36 36 LEU HG H 1.46 0.03 1 340 36 36 LEU HD1 H 0.62 0.03 2 341 36 36 LEU HD2 H 0.66 0.03 2 342 36 36 LEU CA C 56.41 0.20 1 343 36 36 LEU CB C 43.88 0.20 1 344 36 36 LEU CG C 26.43 0.20 1 345 36 36 LEU CD1 C 25.32 0.20 2 346 36 36 LEU CD2 C 22.71 0.20 2 347 36 36 LEU N N 117.98 0.20 1 348 37 37 VAL H H 7.43 0.03 1 349 37 37 VAL HA H 4.31 0.03 1 350 37 37 VAL HB H 1.84 0.03 1 351 37 37 VAL HG1 H 0.77 0.03 2 352 37 37 VAL HG2 H 0.92 0.03 2 353 37 37 VAL CA C 61.40 0.20 1 354 37 37 VAL CB C 34.36 0.20 1 355 37 37 VAL CG1 C 21.00 0.20 2 356 37 37 VAL CG2 C 21.26 0.20 2 357 37 37 VAL N N 116.14 0.20 1 358 38 38 GLY H H 9.10 0.03 1 359 38 38 GLY HA2 H 3.19 0.03 2 360 38 38 GLY HA3 H 4.45 0.03 2 361 38 38 GLY CA C 44.77 0.20 1 362 38 38 GLY N N 116.76 0.20 1 363 39 39 ARG H H 8.60 0.03 1 364 39 39 ARG HA H 4.22 0.03 1 365 39 39 ARG HB2 H 1.78 0.03 2 366 39 39 ARG HB3 H 1.78 0.03 2 367 39 39 ARG HG2 H 1.91 0.03 2 368 39 39 ARG HG3 H 1.91 0.03 2 369 39 39 ARG HD2 H 3.09 0.03 2 370 39 39 ARG HD3 H 3.46 0.03 2 371 39 39 ARG CA C 57.32 0.20 1 372 39 39 ARG CB C 32.40 0.20 1 373 39 39 ARG CG C 26.84 0.20 1 374 39 39 ARG CD C 43.87 0.20 1 375 39 39 ARG N N 126.69 0.20 1 376 40 40 ILE H H 7.92 0.03 1 377 40 40 ILE HA H 5.31 0.03 1 378 40 40 ILE HB H 1.71 0.03 1 379 40 40 ILE HG12 H 1.10 0.03 2 380 40 40 ILE HG13 H 1.91 0.03 2 381 40 40 ILE HG2 H 0.86 0.03 1 382 40 40 ILE HD1 H 1.04 0.03 1 383 40 40 ILE CA C 60.75 0.20 1 384 40 40 ILE CB C 41.29 0.20 1 385 40 40 ILE CG1 C 27.87 0.20 1 386 40 40 ILE CG2 C 18.60 0.20 1 387 40 40 ILE CD1 C 15.29 0.20 1 388 40 40 ILE N N 117.67 0.20 1 389 41 41 VAL H H 9.72 0.03 1 390 41 41 VAL HA H 4.64 0.03 1 391 41 41 VAL HB H 1.84 0.03 1 392 41 41 VAL HG1 H 0.86 0.03 2 393 41 41 VAL HG2 H 0.69 0.03 2 394 41 41 VAL CA C 61.13 0.20 1 395 41 41 VAL CB C 36.67 0.20 1 396 41 41 VAL CG1 C 22.24 0.20 2 397 41 41 VAL CG2 C 22.04 0.20 2 398 41 41 VAL N N 125.42 0.20 1 399 42 42 ILE H H 8.61 0.03 1 400 42 42 ILE HA H 4.82 0.03 1 401 42 42 ILE HB H 1.94 0.03 1 402 42 42 ILE HG12 H 1.12 0.03 2 403 42 42 ILE HG13 H 1.67 0.03 2 404 42 42 ILE HG2 H 0.98 0.03 1 405 42 42 ILE HD1 H 0.91 0.03 1 406 42 42 ILE CA C 58.34 0.20 1 407 42 42 ILE CB C 40.30 0.20 1 408 42 42 ILE CG1 C 28.16 0.20 1 409 42 42 ILE CG2 C 18.22 0.20 1 410 42 42 ILE CD1 C 15.04 0.20 1 411 42 42 ILE N N 125.68 0.20 1 412 43 43 PRO HA H 4.60 0.03 1 413 43 43 PRO HB2 H 2.12 0.03 2 414 43 43 PRO HB3 H 2.14 0.03 2 415 43 43 PRO HG2 H 1.91 0.03 2 416 43 43 PRO HG3 H 2.57 0.03 2 417 43 43 PRO HD2 H 3.82 0.03 2 418 43 43 PRO HD3 H 3.82 0.03 2 419 43 43 PRO CA C 63.13 0.20 1 420 43 43 PRO CB C 31.77 0.20 1 421 43 43 PRO CG C 28.35 0.20 1 422 43 43 PRO CD C 50.79 0.20 1 423 44 44 ILE H H 8.53 0.03 1 424 44 44 ILE HA H 4.75 0.03 1 425 44 44 ILE HB H 1.86 0.03 1 426 44 44 ILE HG12 H 1.21 0.03 2 427 44 44 ILE HG13 H 1.44 0.03 2 428 44 44 ILE HG2 H 0.88 0.03 1 429 44 44 ILE HD1 H 0.84 0.03 1 430 44 44 ILE CA C 59.74 0.20 1 431 44 44 ILE CB C 41.36 0.20 1 432 44 44 ILE CG1 C 26.70 0.20 1 433 44 44 ILE CG2 C 18.05 0.20 1 434 44 44 ILE CD1 C 13.31 0.20 1 435 44 44 ILE N N 123.41 0.20 1 436 45 45 ARG H H 8.44 0.03 1 437 45 45 ARG HA H 4.38 0.03 1 438 45 45 ARG HB2 H 1.74 0.03 2 439 45 45 ARG HB3 H 1.87 0.03 2 440 45 45 ARG HG2 H 1.66 0.03 2 441 45 45 ARG HG3 H 1.66 0.03 2 442 45 45 ARG HD2 H 3.20 0.03 2 443 45 45 ARG HD3 H 3.20 0.03 2 444 45 45 ARG CA C 56.36 0.20 1 445 45 45 ARG CB C 31.70 0.20 1 446 45 45 ARG CG C 27.16 0.20 1 447 45 45 ARG CD C 43.41 0.20 1 448 45 45 ARG N N 122.39 0.20 1 449 52 52 SER HA H 4.51 0.03 1 450 52 52 SER HB2 H 3.86 0.03 2 451 52 52 SER HB3 H 3.86 0.03 2 452 52 52 SER CA C 58.34 0.20 1 453 52 52 SER CB C 64.07 0.20 1 454 53 53 GLU H H 8.20 0.03 1 455 53 53 GLU HA H 4.43 0.03 1 456 53 53 GLU HB2 H 1.88 0.03 2 457 53 53 GLU HB3 H 1.88 0.03 2 458 53 53 GLU HG2 H 2.17 0.03 2 459 53 53 GLU HG3 H 2.17 0.03 2 460 53 53 GLU CA C 55.81 0.20 1 461 53 53 GLU CB C 31.68 0.20 1 462 53 53 GLU CG C 35.29 0.20 1 463 53 53 GLU N N 122.64 0.20 1 464 54 54 LYS H H 8.48 0.03 1 465 54 54 LYS HA H 4.39 0.03 1 466 54 54 LYS HB2 H 1.80 0.03 2 467 54 54 LYS HB3 H 1.62 0.03 2 468 54 54 LYS HG2 H 1.44 0.03 2 469 54 54 LYS HG3 H 1.44 0.03 2 470 54 54 LYS HD2 H 1.58 0.03 2 471 54 54 LYS HD3 H 1.69 0.03 2 472 54 54 LYS HE2 H 2.93 0.03 2 473 54 54 LYS HE3 H 2.93 0.03 2 474 54 54 LYS CA C 56.71 0.20 1 475 54 54 LYS CB C 32.04 0.20 1 476 54 54 LYS CG C 26.65 0.20 1 477 54 54 LYS CD C 28.98 0.20 1 478 54 54 LYS CE C 42.37 0.20 1 479 54 54 LYS N N 123.67 0.20 1 480 55 55 LEU H H 7.45 0.03 1 481 55 55 LEU HA H 3.85 0.03 1 482 55 55 LEU HB2 H 1.01 0.03 2 483 55 55 LEU HB3 H 0.84 0.03 2 484 55 55 LEU HG H 1.07 0.03 1 485 55 55 LEU HD1 H 0.69 0.03 2 486 55 55 LEU HD2 H 0.74 0.03 2 487 55 55 LEU CA C 57.23 0.20 1 488 55 55 LEU CB C 43.73 0.20 1 489 55 55 LEU CG C 27.54 0.20 1 490 55 55 LEU CD1 C 25.19 0.20 2 491 55 55 LEU CD2 C 25.19 0.20 2 492 55 55 LEU N N 124.19 0.20 1 493 56 56 PHE H H 8.94 0.03 1 494 56 56 PHE HA H 4.76 0.03 1 495 56 56 PHE HB2 H 3.08 0.03 2 496 56 56 PHE HB3 H 2.69 0.03 2 497 56 56 PHE HD1 H 7.23 0.03 1 498 56 56 PHE HD2 H 7.23 0.03 1 499 56 56 PHE CA C 53.95 0.20 1 500 56 56 PHE CB C 39.52 0.20 1 501 56 56 PHE N N 115.25 0.20 1 502 57 57 PRO HA H 4.23 0.03 1 503 57 57 PRO HB2 H 2.10 0.03 2 504 57 57 PRO HB3 H 2.35 0.03 2 505 57 57 PRO HG2 H 1.93 0.03 2 506 57 57 PRO HG3 H 1.93 0.03 2 507 57 57 PRO HD2 H 3.39 0.03 2 508 57 57 PRO HD3 H 3.48 0.03 2 509 57 57 PRO CA C 64.46 0.20 1 510 57 57 PRO CB C 31.57 0.20 1 511 57 57 PRO CG C 27.74 0.20 1 512 57 57 PRO CD C 50.18 0.20 1 513 58 58 GLY H H 10.66 0.03 1 514 58 58 GLY HA2 H 3.44 0.03 2 515 58 58 GLY HA3 H 4.26 0.03 2 516 58 58 GLY CA C 45.47 0.20 1 517 58 58 GLY N N 114.37 0.20 1 518 59 59 TYR H H 7.76 0.03 1 519 59 59 TYR HA H 5.22 0.03 1 520 59 59 TYR HB2 H 3.48 0.03 2 521 59 59 TYR HB3 H 2.22 0.03 2 522 59 59 TYR HD1 H 6.64 0.03 1 523 59 59 TYR HD2 H 6.64 0.03 1 524 59 59 TYR HE1 H 6.53 0.03 1 525 59 59 TYR HE2 H 6.53 0.03 1 526 59 59 TYR CA C 54.54 0.20 1 527 59 59 TYR CB C 39.19 0.20 1 528 59 59 TYR N N 118.23 0.20 1 529 60 60 VAL H H 8.79 0.03 1 530 60 60 VAL HA H 4.18 0.03 1 531 60 60 VAL HB H 1.77 0.03 1 532 60 60 VAL HG1 H 0.70 0.03 2 533 60 60 VAL HG2 H 0.86 0.03 2 534 60 60 VAL CA C 62.38 0.20 1 535 60 60 VAL CB C 34.57 0.20 1 536 60 60 VAL CG1 C 22.04 0.20 2 537 60 60 VAL CG2 C 22.24 0.20 2 538 60 60 VAL N N 120.90 0.20 1 539 61 61 PHE H H 8.49 0.03 1 540 61 61 PHE HA H 5.09 0.03 1 541 61 61 PHE HB2 H 3.39 0.03 2 542 61 61 PHE HB3 H 2.89 0.03 2 543 61 61 PHE HD1 H 7.12 0.03 1 544 61 61 PHE HD2 H 7.12 0.03 1 545 61 61 PHE CA C 58.24 0.20 1 546 61 61 PHE CB C 39.40 0.20 1 547 61 61 PHE N N 127.10 0.20 1 548 62 62 VAL H H 9.43 0.03 1 549 62 62 VAL HA H 4.95 0.03 1 550 62 62 VAL HB H 1.96 0.03 1 551 62 62 VAL HG1 H 0.99 0.03 2 552 62 62 VAL HG2 H 0.91 0.03 2 553 62 62 VAL CA C 61.30 0.20 1 554 62 62 VAL CB C 35.45 0.20 1 555 62 62 VAL CG1 C 22.65 0.20 2 556 62 62 VAL CG2 C 22.29 0.20 2 557 62 62 VAL N N 123.50 0.20 1 558 63 63 GLU H H 8.41 0.03 1 559 63 63 GLU HA H 4.39 0.03 1 560 63 63 GLU HB2 H 1.70 0.03 2 561 63 63 GLU HB3 H -0.28 0.03 2 562 63 63 GLU HG2 H 0.65 0.03 2 563 63 63 GLU HG3 H 1.09 0.03 2 564 63 63 GLU CA C 53.97 0.20 1 565 63 63 GLU CB C 29.75 0.20 1 566 63 63 GLU CG C 36.40 0.20 1 567 63 63 GLU N N 132.53 0.20 1 568 64 64 MET H H 9.69 0.03 1 569 64 64 MET HA H 5.20 0.03 1 570 64 64 MET HB2 H 2.15 0.03 2 571 64 64 MET HB3 H 2.15 0.03 2 572 64 64 MET HG2 H 2.56 0.03 2 573 64 64 MET HG3 H 2.15 0.03 2 574 64 64 MET CA C 55.67 0.20 1 575 64 64 MET CB C 36.65 0.20 1 576 64 64 MET CG C 31.03 0.20 1 577 64 64 MET N N 121.99 0.20 1 578 65 65 ILE H H 8.04 0.03 1 579 65 65 ILE HA H 4.20 0.03 1 580 65 65 ILE HB H 1.80 0.03 1 581 65 65 ILE HG12 H 1.45 0.03 2 582 65 65 ILE HG13 H 1.08 0.03 2 583 65 65 ILE HG2 H 0.80 0.03 1 584 65 65 ILE HD1 H 0.79 0.03 1 585 65 65 ILE CA C 60.66 0.20 1 586 65 65 ILE CB C 38.52 0.20 1 587 65 65 ILE CG1 C 27.78 0.20 1 588 65 65 ILE CG2 C 17.81 0.20 1 589 65 65 ILE CD1 C 13.11 0.20 1 590 65 65 ILE N N 121.32 0.20 1 591 66 66 MET H H 7.98 0.03 1 592 66 66 MET HA H 4.80 0.03 1 593 66 66 MET HB2 H 1.40 0.03 2 594 66 66 MET HB3 H 2.09 0.03 2 595 66 66 MET HE H 0.70 0.03 1 596 66 66 MET CA C 52.94 0.20 1 597 66 66 MET CB C 29.77 0.20 1 598 66 66 MET CG C 32.00 0.20 1 599 66 66 MET CE C 14.80 0.20 1 600 66 66 MET N N 123.00 0.20 1 601 67 67 ASN H H 7.45 0.03 1 602 67 67 ASN HA H 4.59 0.03 1 603 67 67 ASN HB2 H 3.21 0.03 2 604 67 67 ASN HB3 H 2.99 0.03 2 605 67 67 ASN CA C 51.18 0.20 1 606 67 67 ASN CB C 38.75 0.20 1 607 67 67 ASN N N 123.24 0.20 1 608 68 68 ASP HA H 4.32 0.03 1 609 68 68 ASP HB2 H 2.61 0.03 2 610 68 68 ASP HB3 H 2.61 0.03 2 611 68 68 ASP CA C 58.17 0.20 1 612 68 68 ASP CB C 40.67 0.20 1 613 69 69 GLU H H 8.10 0.03 1 614 69 69 GLU HA H 4.05 0.03 1 615 69 69 GLU HB2 H 2.14 0.03 2 616 69 69 GLU HB3 H 2.03 0.03 2 617 69 69 GLU HG2 H 2.25 0.03 2 618 69 69 GLU HG3 H 2.17 0.03 2 619 69 69 GLU CA C 59.84 0.20 1 620 69 69 GLU CB C 29.21 0.20 1 621 69 69 GLU CG C 36.47 0.20 1 622 69 69 GLU N N 119.55 0.20 1 623 70 70 ALA H H 8.67 0.03 1 624 70 70 ALA HA H 3.96 0.03 1 625 70 70 ALA HB H 1.51 0.03 1 626 70 70 ALA CA C 55.46 0.20 1 627 70 70 ALA CB C 20.21 0.20 1 628 70 70 ALA N N 123.57 0.20 1 629 71 71 TYR H H 8.52 0.03 1 630 71 71 TYR HA H 3.86 0.03 1 631 71 71 TYR HB2 H 3.12 0.03 2 632 71 71 TYR HB3 H 3.02 0.03 2 633 71 71 TYR HD1 H 6.76 0.03 1 634 71 71 TYR HD2 H 6.76 0.03 1 635 71 71 TYR HE1 H 6.64 0.03 1 636 71 71 TYR HE2 H 6.64 0.03 1 637 71 71 TYR CA C 61.76 0.20 1 638 71 71 TYR CB C 38.71 0.20 1 639 71 71 TYR N N 117.62 0.20 1 640 72 72 ASN H H 8.20 0.03 1 641 72 72 ASN HA H 4.24 0.03 1 642 72 72 ASN HB2 H 2.76 0.03 2 643 72 72 ASN HB3 H 2.91 0.03 2 644 72 72 ASN CA C 56.37 0.20 1 645 72 72 ASN CB C 38.56 0.20 1 646 72 72 ASN N N 116.00 0.20 1 647 73 73 PHE H H 8.20 0.03 1 648 73 73 PHE HA H 4.10 0.03 1 649 73 73 PHE HB2 H 3.32 0.03 2 650 73 73 PHE HB3 H 3.32 0.03 2 651 73 73 PHE HD1 H 7.16 0.03 1 652 73 73 PHE HD2 H 7.16 0.03 1 653 73 73 PHE HE1 H 6.89 0.03 1 654 73 73 PHE HE2 H 6.89 0.03 1 655 73 73 PHE HZ H 6.45 0.03 1 656 73 73 PHE CA C 61.32 0.20 1 657 73 73 PHE CB C 39.47 0.20 1 658 73 73 PHE N N 121.67 0.20 1 659 74 74 VAL H H 7.98 0.03 1 660 74 74 VAL HA H 3.53 0.03 1 661 74 74 VAL HB H 2.08 0.03 1 662 74 74 VAL HG1 H 0.75 0.03 2 663 74 74 VAL HG2 H 1.23 0.03 2 664 74 74 VAL CA C 66.51 0.20 1 665 74 74 VAL CB C 32.35 0.20 1 666 74 74 VAL CG1 C 22.87 0.20 2 667 74 74 VAL CG2 C 23.85 0.20 2 668 74 74 VAL N N 117.97 0.20 1 669 75 75 ARG H H 8.36 0.03 1 670 75 75 ARG HA H 3.78 0.03 1 671 75 75 ARG HB2 H 1.63 0.03 2 672 75 75 ARG HB3 H 1.54 0.03 2 673 75 75 ARG HG2 H 1.43 0.03 2 674 75 75 ARG HG3 H 1.47 0.03 2 675 75 75 ARG HD2 H 2.72 0.03 2 676 75 75 ARG HD3 H 2.88 0.03 2 677 75 75 ARG CA C 57.78 0.20 1 678 75 75 ARG CB C 29.07 0.20 1 679 75 75 ARG CG C 27.28 0.20 1 680 75 75 ARG CD C 42.57 0.20 1 681 75 75 ARG N N 115.60 0.20 1 682 76 76 SER H H 7.16 0.03 1 683 76 76 SER HA H 4.29 0.03 1 684 76 76 SER HB2 H 3.83 0.03 2 685 76 76 SER HB3 H 3.96 0.03 2 686 76 76 SER CA C 58.56 0.20 1 687 76 76 SER CB C 63.86 0.20 1 688 76 76 SER N N 109.45 0.20 1 689 77 77 VAL H H 7.35 0.03 1 690 77 77 VAL HA H 3.98 0.03 1 691 77 77 VAL HB H 2.27 0.03 1 692 77 77 VAL HG1 H 0.88 0.03 2 693 77 77 VAL HG2 H 1.08 0.03 2 694 77 77 VAL CA C 61.16 0.20 1 695 77 77 VAL CB C 32.10 0.20 1 696 77 77 VAL CG1 C 23.78 0.20 2 697 77 77 VAL CG2 C 21.71 0.20 2 698 77 77 VAL N N 127.93 0.20 1 699 78 78 PRO HA H 3.94 0.03 1 700 78 78 PRO HB2 H 1.29 0.03 2 701 78 78 PRO HB3 H 1.78 0.03 2 702 78 78 PRO HG2 H 1.93 0.03 2 703 78 78 PRO HG3 H 1.82 0.03 2 704 78 78 PRO HD2 H 3.46 0.03 2 705 78 78 PRO HD3 H 3.87 0.03 2 706 78 78 PRO CA C 64.50 0.20 1 707 78 78 PRO CB C 31.42 0.20 1 708 78 78 PRO CG C 27.61 0.20 1 709 78 78 PRO CD C 51.46 0.20 1 710 79 79 TYR H H 7.82 0.03 1 711 79 79 TYR HA H 3.81 0.03 1 712 79 79 TYR HB2 H 2.91 0.03 2 713 79 79 TYR HB3 H 3.48 0.03 2 714 79 79 TYR HD1 H 6.75 0.03 1 715 79 79 TYR HD2 H 6.75 0.03 1 716 79 79 TYR HE1 H 6.65 0.03 1 717 79 79 TYR HE2 H 6.65 0.03 1 718 79 79 TYR CA C 60.35 0.20 1 719 79 79 TYR CB C 35.57 0.20 1 720 79 79 TYR N N 110.66 0.20 1 721 80 80 VAL H H 7.70 0.03 1 722 80 80 VAL HA H 3.80 0.03 1 723 80 80 VAL HB H 2.29 0.03 1 724 80 80 VAL HG1 H 0.84 0.03 2 725 80 80 VAL HG2 H 0.73 0.03 2 726 80 80 VAL CA C 64.72 0.20 1 727 80 80 VAL CB C 31.48 0.20 1 728 80 80 VAL CG1 C 23.78 0.20 2 729 80 80 VAL CG2 C 21.74 0.20 2 730 80 80 VAL N N 121.53 0.20 1 731 81 81 MET H H 9.14 0.03 1 732 81 81 MET HA H 4.55 0.03 1 733 81 81 MET HB2 H 1.54 0.03 2 734 81 81 MET HB3 H 1.54 0.03 2 735 81 81 MET CA C 55.45 0.20 1 736 81 81 MET CB C 33.71 0.20 1 737 81 81 MET N N 126.56 0.20 1 738 82 82 GLY H H 7.17 0.03 1 739 82 82 GLY HA2 H 3.48 0.03 2 740 82 82 GLY HA3 H 4.46 0.03 2 741 82 82 GLY CA C 44.30 0.20 1 742 82 82 GLY N N 104.84 0.20 1 743 83 83 PHE H H 8.54 0.03 1 744 83 83 PHE HA H 5.53 0.03 1 745 83 83 PHE HB2 H 2.65 0.03 2 746 83 83 PHE HB3 H 3.01 0.03 2 747 83 83 PHE HD1 H 7.14 0.03 1 748 83 83 PHE HD2 H 7.14 0.03 1 749 83 83 PHE HE1 H 6.90 0.03 1 750 83 83 PHE HE2 H 6.90 0.03 1 751 83 83 PHE CA C 56.24 0.20 1 752 83 83 PHE CB C 43.05 0.20 1 753 83 83 PHE N N 117.51 0.20 1 754 84 84 VAL H H 8.67 0.03 1 755 84 84 VAL HA H 3.99 0.03 1 756 84 84 VAL HB H 2.08 0.03 1 757 84 84 VAL HG1 H 0.95 0.03 2 758 84 84 VAL HG2 H 0.68 0.03 2 759 84 84 VAL CA C 66.38 0.20 1 760 84 84 VAL CB C 31.20 0.20 1 761 84 84 VAL CG1 C 20.71 0.20 2 762 84 84 VAL CG2 C 23.58 0.20 2 763 84 84 VAL N N 124.46 0.20 1 764 85 85 SER H H 8.61 0.03 1 765 85 85 SER HA H 5.29 0.03 1 766 85 85 SER HB2 H 3.43 0.03 2 767 85 85 SER HB3 H 3.53 0.03 2 768 85 85 SER CA C 58.75 0.20 1 769 85 85 SER CB C 67.99 0.20 1 770 85 85 SER N N 125.09 0.20 1 771 86 86 SER H H 8.58 0.03 1 772 86 86 SER HA H 5.29 0.03 1 773 86 86 SER HB2 H 3.70 0.03 2 774 86 86 SER HB3 H 3.74 0.03 2 775 86 86 SER CA C 57.76 0.20 1 776 86 86 SER CB C 64.28 0.20 1 777 86 86 SER N N 115.89 0.20 1 778 88 88 GLY HA2 H 4.23 0.03 2 779 88 88 GLY HA3 H 4.23 0.03 2 780 88 88 GLY CA C 44.93 0.20 1 781 89 89 GLN H H 7.47 0.03 1 782 89 89 GLN HA H 4.86 0.03 1 783 89 89 GLN HB2 H 2.04 0.03 2 784 89 89 GLN HB3 H 1.96 0.03 2 785 89 89 GLN HG2 H 2.32 0.03 2 786 89 89 GLN HG3 H 2.27 0.03 2 787 89 89 GLN CA C 52.36 0.20 1 788 89 89 GLN CB C 30.65 0.20 1 789 89 89 GLN CG C 33.08 0.20 1 790 89 89 GLN N N 118.41 0.20 1 791 90 90 PRO HA H 4.52 0.03 1 792 90 90 PRO HB2 H 1.93 0.03 2 793 90 90 PRO HB3 H 2.26 0.03 2 794 90 90 PRO HG2 H 2.05 0.03 2 795 90 90 PRO HG3 H 2.05 0.03 2 796 90 90 PRO HD2 H 3.81 0.03 2 797 90 90 PRO HD3 H 3.67 0.03 2 798 90 90 PRO CA C 62.94 0.20 1 799 90 90 PRO CB C 31.71 0.20 1 800 90 90 PRO CG C 27.53 0.20 1 801 90 90 PRO CD C 50.60 0.20 1 802 91 91 VAL H H 8.11 0.03 1 803 91 91 VAL HA H 4.20 0.03 1 804 91 91 VAL HB H 2.08 0.03 1 805 91 91 VAL HG1 H 0.99 0.03 2 806 91 91 VAL HG2 H 0.97 0.03 2 807 91 91 VAL CA C 62.09 0.20 1 808 91 91 VAL CB C 33.74 0.20 1 809 91 91 VAL CG1 C 21.59 0.20 2 810 91 91 VAL CG2 C 21.74 0.20 2 811 91 91 VAL N N 120.07 0.20 1 812 92 92 PRO HA H 4.42 0.03 1 813 92 92 PRO HB2 H 1.73 0.03 2 814 92 92 PRO HB3 H 1.62 0.03 2 815 92 92 PRO HG2 H 2.08 0.03 2 816 92 92 PRO HG3 H 2.02 0.03 2 817 92 92 PRO HD2 H 3.88 0.03 2 818 92 92 PRO HD3 H 4.05 0.03 2 819 92 92 PRO CA C 61.77 0.20 1 820 92 92 PRO CB C 31.85 0.20 1 821 92 92 PRO CG C 26.75 0.20 1 822 92 92 PRO CD C 51.06 0.20 1 823 93 93 VAL H H 8.79 0.03 1 824 93 93 VAL HA H 3.93 0.03 1 825 93 93 VAL HB H 1.87 0.03 1 826 93 93 VAL HG1 H 1.30 0.03 2 827 93 93 VAL HG2 H 0.95 0.03 2 828 93 93 VAL CA C 62.56 0.20 1 829 93 93 VAL CB C 32.40 0.20 1 830 93 93 VAL CG1 C 23.47 0.20 2 831 93 93 VAL CG2 C 22.21 0.20 2 832 93 93 VAL N N 123.55 0.20 1 833 94 94 LYS H H 8.97 0.03 1 834 94 94 LYS CA C 57.10 0.20 1 835 94 94 LYS CB C 33.26 0.20 1 836 94 94 LYS N N 127.71 0.20 1 837 96 96 ARG HA H 4.09 0.03 1 838 96 96 ARG HB2 H 1.65 0.03 2 839 96 96 ARG HB3 H 1.90 0.03 2 840 96 96 ARG HG2 H 1.50 0.03 2 841 96 96 ARG HG3 H 1.54 0.03 2 842 96 96 ARG HD2 H 3.10 0.03 2 843 96 96 ARG HD3 H 3.12 0.03 2 844 96 96 ARG CA C 58.85 0.20 1 845 96 96 ARG CB C 30.12 0.20 1 846 96 96 ARG CG C 27.32 0.20 1 847 96 96 ARG CD C 42.96 0.20 1 848 97 97 GLU H H 7.04 0.03 1 849 97 97 GLU HA H 4.16 0.03 1 850 97 97 GLU HB2 H 2.12 0.03 2 851 97 97 GLU HG2 H 2.16 0.03 2 852 97 97 GLU HG3 H 2.37 0.03 2 853 97 97 GLU CA C 58.80 0.20 1 854 97 97 GLU CB C 30.04 0.20 1 855 97 97 GLU CG C 39.14 0.20 1 856 97 97 GLU N N 115.18 0.20 1 857 98 98 MET H H 7.41 0.03 1 858 98 98 MET HA H 4.65 0.03 1 859 98 98 MET HB2 H 1.81 0.03 2 860 98 98 MET HB3 H 1.54 0.03 2 861 98 98 MET HG2 H 2.07 0.03 2 862 98 98 MET HG3 H 1.97 0.03 2 863 98 98 MET HE H 0.19 0.03 1 864 98 98 MET CA C 53.18 0.20 1 865 98 98 MET CB C 30.44 0.20 1 866 98 98 MET CG C 31.96 0.20 1 867 98 98 MET CE C 13.60 0.20 1 868 98 98 MET N N 112.91 0.20 1 869 99 99 ARG H H 7.33 0.03 1 870 99 99 ARG HA H 3.93 0.03 1 871 99 99 ARG HB2 H 2.18 0.03 2 872 99 99 ARG HB3 H 1.86 0.03 2 873 99 99 ARG HG2 H 1.90 0.03 2 874 99 99 ARG HG3 H 1.29 0.03 2 875 99 99 ARG HD2 H 3.30 0.03 2 876 99 99 ARG HD3 H 3.11 0.03 2 877 99 99 ARG CA C 62.38 0.20 1 878 99 99 ARG CB C 28.58 0.20 1 879 99 99 ARG CG C 26.92 0.20 1 880 99 99 ARG CD C 44.62 0.20 1 881 99 99 ARG N N 120.58 0.20 1 882 100 100 PRO HA H 3.87 0.03 1 883 100 100 PRO HB2 H 0.51 0.03 2 884 100 100 PRO HB3 H 0.36 0.03 2 885 100 100 PRO HG2 H 1.37 0.03 2 886 100 100 PRO HG3 H 1.37 0.03 2 887 100 100 PRO HD2 H 3.75 0.03 2 888 100 100 PRO HD3 H 3.56 0.03 2 889 100 100 PRO CA C 65.55 0.20 1 890 100 100 PRO CB C 30.48 0.20 1 891 100 100 PRO CG C 28.76 0.20 1 892 100 100 PRO CD C 49.50 0.20 1 893 101 101 ILE H H 6.30 0.03 1 894 101 101 ILE HA H 3.25 0.03 1 895 101 101 ILE HB H 1.79 0.03 1 896 101 101 ILE HG12 H 0.78 0.03 2 897 101 101 ILE HG13 H 1.34 0.03 2 898 101 101 ILE HG2 H -0.10 0.03 1 899 101 101 ILE HD1 H 0.41 0.03 1 900 101 101 ILE CA C 62.64 0.20 1 901 101 101 ILE CB C 34.99 0.20 1 902 101 101 ILE CG1 C 27.68 0.20 1 903 101 101 ILE CG2 C 17.60 0.20 1 904 101 101 ILE CD1 C 10.69 0.20 1 905 101 101 ILE N N 114.02 0.20 1 906 102 102 LEU H H 8.05 0.03 1 907 102 102 LEU HA H 3.72 0.03 1 908 102 102 LEU HB2 H 1.77 0.03 2 909 102 102 LEU HB3 H 1.13 0.03 2 910 102 102 LEU HG H 1.34 0.03 1 911 102 102 LEU HD1 H 0.42 0.03 2 912 102 102 LEU HD2 H 0.74 0.03 2 913 102 102 LEU CA C 57.90 0.20 1 914 102 102 LEU CB C 41.35 0.20 1 915 102 102 LEU CG C 26.71 0.20 1 916 102 102 LEU CD1 C 22.43 0.20 2 917 102 102 LEU CD2 C 25.00 0.20 2 918 102 102 LEU N N 117.89 0.20 1 919 103 103 ARG H H 8.33 0.03 1 920 103 103 ARG HA H 4.42 0.03 1 921 103 103 ARG HB2 H 1.30 0.03 2 922 103 103 ARG HB3 H 1.62 0.03 2 923 103 103 ARG HD2 H 1.72 0.03 2 924 103 103 ARG HD3 H 2.74 0.03 2 925 103 103 ARG CA C 60.08 0.20 1 926 103 103 ARG CB C 30.46 0.20 1 927 103 103 ARG CG C 28.39 0.20 1 928 103 103 ARG CD C 43.98 0.20 1 929 103 103 ARG N N 118.24 0.20 1 930 104 104 LEU H H 8.55 0.03 1 931 104 104 LEU HA H 4.10 0.03 1 932 104 104 LEU HB2 H 1.49 0.03 2 933 104 104 LEU HB3 H 1.90 0.03 2 934 104 104 LEU HG H 1.63 0.03 1 935 104 104 LEU HD1 H 0.99 0.03 2 936 104 104 LEU HD2 H 0.79 0.03 2 937 104 104 LEU CA C 58.13 0.20 1 938 104 104 LEU CB C 42.47 0.20 1 939 104 104 LEU CG C 27.51 0.20 1 940 104 104 LEU CD1 C 23.82 0.20 2 941 104 104 LEU CD2 C 25.95 0.20 2 942 104 104 LEU N N 121.96 0.20 1 943 105 105 ALA H H 7.81 0.03 1 944 105 105 ALA HA H 4.48 0.03 1 945 105 105 ALA HB H 1.43 0.03 1 946 105 105 ALA CA C 52.21 0.20 1 947 105 105 ALA CB C 20.01 0.20 1 948 105 105 ALA N N 117.50 0.20 1 949 106 106 GLY H H 7.61 0.03 1 950 106 106 GLY HA2 H 4.10 0.03 2 951 106 106 GLY CA C 45.84 0.20 1 952 106 106 GLY N N 105.72 0.20 1 953 107 107 LEU H H 8.14 0.03 1 954 107 107 LEU HA H 4.42 0.03 1 955 107 107 LEU HB2 H 1.61 0.03 2 956 107 107 LEU HB3 H 1.74 0.03 2 957 107 107 LEU HG H 1.65 0.03 1 958 107 107 LEU HD1 H 0.92 0.03 2 959 107 107 LEU HD2 H 0.94 0.03 2 960 107 107 LEU CA C 55.31 0.20 1 961 107 107 LEU CB C 43.16 0.20 1 962 107 107 LEU CG C 27.85 0.20 1 963 107 107 LEU CD1 C 25.96 0.20 2 964 107 107 LEU CD2 C 23.05 0.20 2 965 107 107 LEU N N 118.21 0.20 1 966 108 108 GLU H H 7.00 0.03 1 967 108 108 GLU HA H 4.37 0.03 1 968 108 108 GLU HB2 H 1.61 0.03 2 969 108 108 GLU HB3 H 1.76 0.03 2 970 108 108 GLU HG2 H 2.09 0.03 2 971 108 108 GLU HG3 H 2.23 0.03 2 972 108 108 GLU CA C 55.64 0.20 1 973 108 108 GLU CB C 33.76 0.20 1 974 108 108 GLU CG C 37.37 0.20 1 975 108 108 GLU N N 118.98 0.20 1 976 109 109 GLU H H 8.65 0.03 1 977 109 109 GLU N N 126.82 0.20 1 978 110 110 TYR H H 7.92 0.03 1 979 110 110 TYR HA H 4.83 0.03 1 980 110 110 TYR HB2 H 2.79 0.03 2 981 110 110 TYR HB3 H 2.92 0.03 2 982 110 110 TYR HD1 H 6.97 0.03 1 983 110 110 TYR HD2 H 6.97 0.03 1 984 110 110 TYR HE1 H 6.74 0.03 1 985 110 110 TYR HE2 H 6.74 0.03 1 986 110 110 TYR CA C 56.08 0.20 1 987 110 110 TYR CB C 39.42 0.20 1 988 110 110 TYR N N 117.68 0.20 1 989 111 111 GLU H H 8.50 0.03 1 990 111 111 GLU HA H 4.43 0.03 1 991 111 111 GLU HB2 H 1.98 0.03 2 992 111 111 GLU HB3 H 1.88 0.03 2 993 111 111 GLU HG2 H 2.24 0.03 2 994 111 111 GLU HG3 H 2.18 0.03 2 995 111 111 GLU CA C 54.84 0.20 1 996 111 111 GLU CB C 31.77 0.20 1 997 111 111 GLU CG C 36.21 0.20 1 998 111 111 GLU N N 120.85 0.20 1 999 112 112 GLU H H 8.66 0.03 1 1000 112 112 GLU HA H 4.33 0.03 1 1001 112 112 GLU HB2 H 2.01 0.03 2 1002 112 112 GLU HB3 H 2.01 0.03 2 1003 112 112 GLU HG2 H 2.21 0.03 2 1004 112 112 GLU HG3 H 2.38 0.03 2 1005 112 112 GLU CA C 57.15 0.20 1 1006 112 112 GLU CB C 30.92 0.20 1 1007 112 112 GLU CG C 37.53 0.20 1 1008 112 112 GLU N N 125.13 0.20 1 1009 113 113 LYS H H 8.60 0.03 1 1010 113 113 LYS HA H 4.54 0.03 1 1011 113 113 LYS HB2 H 1.97 0.03 2 1012 113 113 LYS HB3 H 1.76 0.03 2 1013 113 113 LYS HG2 H 1.44 0.03 2 1014 113 113 LYS HG3 H 1.39 0.03 2 1015 113 113 LYS HE2 H 3.02 0.03 2 1016 113 113 LYS HE3 H 3.10 0.03 2 1017 113 113 LYS CA C 55.47 0.20 1 1018 113 113 LYS CB C 33.29 0.20 1 1019 113 113 LYS CG C 25.00 0.20 1 1020 113 113 LYS CD C 29.46 0.20 1 1021 113 113 LYS CE C 42.60 0.20 1 1022 113 113 LYS N N 125.31 0.20 1 1023 114 114 LYS H H 7.67 0.03 1 1024 114 114 LYS HA H 4.29 0.03 1 1025 114 114 LYS HB2 H 1.64 0.03 2 1026 114 114 LYS HB3 H 1.64 0.03 2 1027 114 114 LYS HG2 H 1.28 0.03 2 1028 114 114 LYS HG3 H 1.36 0.03 2 1029 114 114 LYS HD2 H 1.67 0.03 2 1030 114 114 LYS HD3 H 1.67 0.03 2 1031 114 114 LYS HE2 H 2.87 0.03 2 1032 114 114 LYS HE3 H 3.08 0.03 2 1033 114 114 LYS CA C 56.70 0.20 1 1034 114 114 LYS CB C 33.65 0.20 1 1035 114 114 LYS CG C 25.55 0.20 1 1036 114 114 LYS CD C 29.48 0.20 1 1037 114 114 LYS CE C 42.02 0.20 1 1038 114 114 LYS N N 120.07 0.20 1 1039 115 115 LYS H H 8.65 0.03 1 1040 115 115 LYS HA H 4.70 0.03 1 1041 115 115 LYS HB2 H 1.74 0.03 2 1042 115 115 LYS HB3 H 1.86 0.03 2 1043 115 115 LYS HG2 H 1.48 0.03 2 1044 115 115 LYS HG3 H 1.54 0.03 2 1045 115 115 LYS HD2 H 1.76 0.03 2 1046 115 115 LYS HD3 H 1.76 0.03 2 1047 115 115 LYS HE2 H 3.04 0.03 2 1048 115 115 LYS HE3 H 3.04 0.03 2 1049 115 115 LYS CA C 53.88 0.20 1 1050 115 115 LYS CB C 33.34 0.20 1 1051 115 115 LYS CG C 24.56 0.20 1 1052 115 115 LYS CD C 29.45 0.20 1 1053 115 115 LYS CE C 42.06 0.20 1 1054 115 115 LYS N N 123.55 0.20 1 1055 116 116 PRO HA H 4.62 0.03 1 1056 116 116 PRO HB2 H 1.54 0.03 2 1057 116 116 PRO HB3 H 1.81 0.03 2 1058 116 116 PRO HG2 H 1.35 0.03 2 1059 116 116 PRO HG3 H 1.47 0.03 2 1060 116 116 PRO HD2 H 3.30 0.03 2 1061 116 116 PRO HD3 H 3.68 0.03 2 1062 116 116 PRO CA C 63.19 0.20 1 1063 116 116 PRO CB C 33.72 0.20 1 1064 116 116 PRO CG C 27.83 0.20 1 1065 116 116 PRO CD C 50.57 0.20 1 1066 117 117 VAL H H 8.24 0.03 1 1067 117 117 VAL HA H 4.89 0.03 1 1068 117 117 VAL HB H 1.98 0.03 1 1069 117 117 VAL HG1 H 1.05 0.03 2 1070 117 117 VAL HG2 H 1.00 0.03 2 1071 117 117 VAL CA C 58.08 0.20 1 1072 117 117 VAL CB C 34.62 0.20 1 1073 117 117 VAL CG1 C 21.11 0.20 2 1074 117 117 VAL CG2 C 20.86 0.20 2 1075 117 117 VAL N N 123.52 0.20 1 1076 118 118 LYS H H 9.14 0.03 1 1077 118 118 LYS HA H 4.50 0.03 1 1078 118 118 LYS HB2 H 1.74 0.03 2 1079 118 118 LYS HB3 H 1.89 0.03 2 1080 118 118 LYS CA C 55.41 0.20 1 1081 118 118 LYS CB C 33.54 0.20 1 1082 118 118 LYS N N 126.56 0.20 1 1083 119 119 VAL H H 7.85 0.03 1 1084 119 119 VAL HA H 4.15 0.03 1 1085 119 119 VAL HB H 2.09 0.03 1 1086 119 119 VAL HG1 H 0.91 0.03 2 1087 119 119 VAL HG2 H 0.95 0.03 2 1088 119 119 VAL CA C 62.17 0.20 1 1089 119 119 VAL CB C 33.41 0.20 1 1090 119 119 VAL CG1 C 21.32 0.20 2 1091 119 119 VAL CG2 C 20.71 0.20 2 1092 119 119 VAL N N 119.32 0.20 1 1093 120 120 GLU H H 8.25 0.03 1 1094 120 120 GLU HA H 4.28 0.03 1 1095 120 120 GLU HB2 H 1.89 0.03 2 1096 120 120 GLU HB3 H 1.93 0.03 2 1097 120 120 GLU CA C 56.13 0.20 1 1098 120 120 GLU CB C 30.15 0.20 1 1099 120 120 GLU CG C 36.23 0.20 1 1100 120 120 GLU N N 122.78 0.20 1 1101 121 121 LEU H H 8.15 0.03 1 1102 121 121 LEU HA H 4.22 0.03 1 1103 121 121 LEU HB2 H 1.56 0.03 2 1104 121 121 LEU HB3 H 1.42 0.03 2 1105 121 121 LEU HG H 1.58 0.03 1 1106 121 121 LEU HD1 H 0.84 0.03 2 1107 121 121 LEU HD2 H 0.91 0.03 2 1108 121 121 LEU CA C 55.41 0.20 1 1109 121 121 LEU CB C 42.39 0.20 1 1110 121 121 LEU CG C 27.28 0.20 1 1111 121 121 LEU CD1 C 24.05 0.20 2 1112 121 121 LEU CD2 C 25.38 0.20 2 1113 121 121 LEU N N 124.10 0.20 1 1114 122 122 GLY HA2 H 3.99 0.03 2 1115 122 122 GLY HA3 H 3.55 0.03 2 1116 122 122 GLY CA C 45.75 0.20 1 1117 123 123 PHE H H 7.14 0.03 1 1118 123 123 PHE HA H 4.70 0.03 1 1119 123 123 PHE HB2 H 2.55 0.03 2 1120 123 123 PHE HB3 H 3.01 0.03 2 1121 123 123 PHE HD1 H 7.08 0.03 1 1122 123 123 PHE HD2 H 7.08 0.03 1 1123 123 123 PHE CA C 57.20 0.20 1 1124 123 123 PHE CB C 42.13 0.20 1 1125 123 123 PHE N N 117.52 0.20 1 1126 124 124 LYS H H 8.91 0.03 1 1127 124 124 LYS HA H 4.59 0.03 1 1128 124 124 LYS HB2 H 1.74 0.03 2 1129 124 124 LYS HB3 H 1.66 0.03 2 1130 124 124 LYS HG2 H 1.48 0.03 2 1131 124 124 LYS HG3 H 1.29 0.03 2 1132 124 124 LYS HD2 H 1.67 0.03 2 1133 124 124 LYS HD3 H 1.72 0.03 2 1134 124 124 LYS HE2 H 3.05 0.03 2 1135 124 124 LYS HE3 H 2.99 0.03 2 1136 124 124 LYS CA C 54.38 0.20 1 1137 124 124 LYS CB C 35.89 0.20 1 1138 124 124 LYS CG C 23.95 0.20 1 1139 124 124 LYS CD C 27.33 0.20 1 1140 124 124 LYS CE C 42.29 0.20 1 1141 124 124 LYS N N 120.21 0.20 1 1142 125 125 VAL H H 8.28 0.03 1 1143 125 125 VAL HA H 3.26 0.03 1 1144 125 125 VAL HB H 1.89 0.03 1 1145 125 125 VAL HG1 H 0.93 0.03 2 1146 125 125 VAL HG2 H 0.95 0.03 2 1147 125 125 VAL CA C 65.80 0.20 1 1148 125 125 VAL CB C 31.39 0.20 1 1149 125 125 VAL CG1 C 21.25 0.20 2 1150 125 125 VAL CG2 C 22.21 0.20 2 1151 125 125 VAL N N 120.87 0.20 1 1152 126 126 GLY H H 8.93 0.03 1 1153 126 126 GLY HA2 H 3.47 0.03 2 1154 126 126 GLY HA3 H 4.50 0.03 2 1155 126 126 GLY CA C 44.67 0.20 1 1156 126 126 GLY N N 116.26 0.20 1 1157 127 127 ASP H H 7.97 0.03 1 1158 127 127 ASP HA H 4.64 0.03 1 1159 127 127 ASP HB2 H 2.59 0.03 2 1160 127 127 ASP HB3 H 2.98 0.03 2 1161 127 127 ASP CA C 55.50 0.20 1 1162 127 127 ASP CB C 41.76 0.20 1 1163 127 127 ASP N N 121.21 0.20 1 1164 128 128 MET H H 8.65 0.03 1 1165 128 128 MET HA H 5.19 0.03 1 1166 128 128 MET HB2 H 2.10 0.03 2 1167 128 128 MET HB3 H 2.04 0.03 2 1168 128 128 MET HG2 H 2.62 0.03 2 1169 128 128 MET HG3 H 2.54 0.03 2 1170 128 128 MET CA C 54.54 0.20 1 1171 128 128 MET CB C 33.62 0.20 1 1172 128 128 MET CG C 32.23 0.20 1 1173 128 128 MET N N 120.47 0.20 1 1174 129 129 VAL H H 8.88 0.03 1 1175 129 129 VAL HA H 5.11 0.03 1 1176 129 129 VAL HB H 1.93 0.03 1 1177 129 129 VAL HG1 H 0.59 0.03 2 1178 129 129 VAL HG2 H 0.45 0.03 2 1179 129 129 VAL CA C 58.30 0.20 1 1180 129 129 VAL CB C 35.92 0.20 1 1181 129 129 VAL CG1 C 22.94 0.20 2 1182 129 129 VAL CG2 C 18.42 0.20 2 1183 129 129 VAL N N 114.56 0.20 1 1184 130 130 LYS H H 9.05 0.03 1 1185 130 130 LYS HA H 4.74 0.03 1 1186 130 130 LYS HB2 H 1.62 0.03 2 1187 130 130 LYS HB3 H 1.74 0.03 2 1188 130 130 LYS HG2 H 1.27 0.03 2 1189 130 130 LYS HG3 H 1.27 0.03 2 1190 130 130 LYS HD2 H 1.61 0.03 2 1191 130 130 LYS HD3 H 1.73 0.03 2 1192 130 130 LYS HE2 H 2.87 0.03 2 1193 130 130 LYS HE3 H 2.87 0.03 2 1194 130 130 LYS CA C 54.57 0.20 1 1195 130 130 LYS CB C 34.95 0.20 1 1196 130 130 LYS CG C 24.79 0.20 1 1197 130 130 LYS CD C 27.27 0.20 1 1198 130 130 LYS CE C 42.23 0.20 1 1199 130 130 LYS N N 120.35 0.20 1 1200 131 131 ILE H H 8.98 0.03 1 1201 131 131 ILE HA H 4.33 0.03 1 1202 131 131 ILE HB H 2.16 0.03 1 1203 131 131 ILE HG12 H 1.48 0.03 2 1204 131 131 ILE HG13 H 0.75 0.03 2 1205 131 131 ILE HG2 H 0.96 0.03 1 1206 131 131 ILE HD1 H 0.61 0.03 1 1207 131 131 ILE CA C 62.59 0.20 1 1208 131 131 ILE CB C 37.37 0.20 1 1209 131 131 ILE CG1 C 27.92 0.20 1 1210 131 131 ILE CG2 C 19.19 0.20 1 1211 131 131 ILE CD1 C 15.10 0.20 1 1212 131 131 ILE N N 127.18 0.20 1 1213 132 132 ILE H H 8.67 0.03 1 1214 132 132 ILE HA H 4.77 0.03 1 1215 132 132 ILE HB H 2.29 0.03 1 1216 132 132 ILE HG12 H 1.08 0.03 2 1217 132 132 ILE HG13 H 0.87 0.03 2 1218 132 132 ILE HG2 H 0.85 0.03 1 1219 132 132 ILE HD1 H 0.88 0.03 1 1220 132 132 ILE CA C 60.67 0.20 1 1221 132 132 ILE CB C 39.03 0.20 1 1222 132 132 ILE CG1 C 27.05 0.20 1 1223 132 132 ILE CG2 C 19.66 0.20 1 1224 132 132 ILE CD1 C 14.75 0.20 1 1225 132 132 ILE N N 120.53 0.20 1 1226 133 133 SER H H 7.25 0.03 1 1227 133 133 SER HA H 4.91 0.03 1 1228 133 133 SER HB2 H 3.72 0.03 2 1229 133 133 SER HB3 H 3.50 0.03 2 1230 133 133 SER CA C 56.58 0.20 1 1231 133 133 SER CB C 64.76 0.20 1 1232 133 133 SER N N 112.19 0.20 1 1233 134 134 GLY H H 9.22 0.03 1 1234 134 134 GLY HA2 H 3.64 0.03 2 1235 134 134 GLY HA3 H 3.64 0.03 2 1236 134 134 GLY CA C 44.85 0.20 1 1237 134 134 GLY N N 111.11 0.20 1 1238 135 135 PRO HA H 3.38 0.03 1 1239 135 135 PRO HB2 H 1.43 0.03 2 1240 135 135 PRO HB3 H 2.03 0.03 2 1241 135 135 PRO HG2 H 1.57 0.03 2 1242 135 135 PRO HG3 H 2.17 0.03 2 1243 135 135 PRO HD2 H 3.90 0.03 2 1244 135 135 PRO HD3 H 3.48 0.03 2 1245 135 135 PRO CA C 65.42 0.20 1 1246 135 135 PRO CB C 31.41 0.20 1 1247 135 135 PRO CG C 27.83 0.20 1 1248 135 135 PRO CD C 49.39 0.20 1 1249 136 136 PHE H H 8.85 0.03 1 1250 136 136 PHE HA H 4.00 0.03 1 1251 136 136 PHE HB2 H 2.87 0.03 2 1252 136 136 PHE HB3 H 3.24 0.03 2 1253 136 136 PHE HD1 H 6.53 0.03 1 1254 136 136 PHE HD2 H 6.53 0.03 1 1255 136 136 PHE HE1 H 6.89 0.03 1 1256 136 136 PHE HE2 H 6.89 0.03 1 1257 136 136 PHE HZ H 7.16 0.03 1 1258 136 136 PHE CA C 58.19 0.20 1 1259 136 136 PHE CB C 38.04 0.20 1 1260 136 136 PHE N N 111.16 0.20 1 1261 137 137 GLU H H 7.02 0.03 1 1262 137 137 GLU HA H 3.36 0.03 1 1263 137 137 GLU HB2 H 1.65 0.03 2 1264 137 137 GLU HB3 H 2.07 0.03 2 1265 137 137 GLU HG2 H 2.08 0.03 2 1266 137 137 GLU HG3 H 1.98 0.03 2 1267 137 137 GLU CA C 58.85 0.20 1 1268 137 137 GLU CB C 30.11 0.20 1 1269 137 137 GLU CG C 34.65 0.20 1 1270 137 137 GLU N N 120.49 0.20 1 1271 138 138 ASP H H 9.18 0.03 1 1272 138 138 ASP HA H 2.96 0.03 1 1273 138 138 ASP HB2 H 2.86 0.03 2 1274 138 138 ASP HB3 H 3.01 0.03 2 1275 138 138 ASP CA C 58.28 0.20 1 1276 138 138 ASP CB C 40.26 0.20 1 1277 138 138 ASP N N 120.36 0.20 1 1278 139 139 PHE H H 8.55 0.03 1 1279 139 139 PHE HA H 4.50 0.03 1 1280 139 139 PHE HB2 H 2.96 0.03 2 1281 139 139 PHE HB3 H 3.79 0.03 2 1282 139 139 PHE HD1 H 7.38 0.03 1 1283 139 139 PHE HD2 H 7.38 0.03 1 1284 139 139 PHE HE1 H 7.16 0.03 1 1285 139 139 PHE HE2 H 7.16 0.03 1 1286 139 139 PHE HZ H 6.81 0.03 1 1287 139 139 PHE CA C 59.23 0.20 1 1288 139 139 PHE CB C 39.83 0.20 1 1289 139 139 PHE N N 120.41 0.20 1 1290 140 140 ALA H H 8.30 0.03 1 1291 140 140 ALA HA H 5.45 0.03 1 1292 140 140 ALA HB H 1.38 0.03 1 1293 140 140 ALA CA C 50.38 0.20 1 1294 140 140 ALA CB C 21.92 0.20 1 1295 140 140 ALA N N 121.81 0.20 1 1296 141 141 GLY H H 8.76 0.03 1 1297 141 141 GLY HA2 H 4.49 0.03 2 1298 141 141 GLY HA3 H 3.75 0.03 2 1299 141 141 GLY CA C 45.85 0.20 1 1300 141 141 GLY N N 105.32 0.20 1 1301 142 142 VAL H H 7.71 0.03 1 1302 142 142 VAL HA H 4.95 0.03 1 1303 142 142 VAL HB H 1.88 0.03 1 1304 142 142 VAL HG1 H 0.88 0.03 2 1305 142 142 VAL HG2 H 0.92 0.03 2 1306 142 142 VAL CA C 59.90 0.20 1 1307 142 142 VAL CB C 35.14 0.20 1 1308 142 142 VAL CG1 C 20.73 0.20 2 1309 142 142 VAL CG2 C 21.31 0.20 2 1310 142 142 VAL N N 117.75 0.20 1 1311 143 143 ILE H H 8.95 0.03 1 1312 143 143 ILE HA H 3.83 0.03 1 1313 143 143 ILE HB H 2.03 0.03 1 1314 143 143 ILE HG12 H 1.81 0.03 2 1315 143 143 ILE HG13 H 1.81 0.03 2 1316 143 143 ILE HG2 H 0.70 0.03 1 1317 143 143 ILE HD1 H 0.70 0.03 1 1318 143 143 ILE CA C 63.85 0.20 1 1319 143 143 ILE CB C 38.01 0.20 1 1320 143 143 ILE CG1 C 28.09 0.20 1 1321 143 143 ILE CG2 C 18.85 0.20 1 1322 143 143 ILE CD1 C 15.14 0.20 1 1323 143 143 ILE N N 125.75 0.20 1 1324 144 144 LYS H H 9.46 0.03 1 1325 144 144 LYS HA H 4.55 0.03 1 1326 144 144 LYS HB2 H 1.55 0.03 2 1327 144 144 LYS HB3 H 1.76 0.03 2 1328 144 144 LYS HG2 H 1.39 0.03 2 1329 144 144 LYS HG3 H 1.45 0.03 2 1330 144 144 LYS HD2 H 1.57 0.03 2 1331 144 144 LYS HD3 H 1.57 0.03 2 1332 144 144 LYS HE2 H 2.59 0.03 2 1333 144 144 LYS HE3 H 2.85 0.03 2 1334 144 144 LYS CA C 55.47 0.20 1 1335 144 144 LYS CB C 33.70 0.20 1 1336 144 144 LYS CG C 23.75 0.20 1 1337 144 144 LYS CD C 27.77 0.20 1 1338 144 144 LYS CE C 41.76 0.20 1 1339 144 144 LYS N N 129.89 0.20 1 1340 145 145 GLU H H 7.69 0.03 1 1341 145 145 GLU HA H 4.51 0.03 1 1342 145 145 GLU HB2 H 1.92 0.03 2 1343 145 145 GLU HB3 H 2.01 0.03 2 1344 145 145 GLU HG2 H 2.23 0.03 2 1345 145 145 GLU HG3 H 2.16 0.03 2 1346 145 145 GLU CA C 55.37 0.20 1 1347 145 145 GLU CB C 34.53 0.20 1 1348 145 145 GLU CG C 36.60 0.20 1 1349 145 145 GLU N N 116.40 0.20 1 1350 146 146 ILE H H 8.60 0.03 1 1351 146 146 ILE HA H 4.39 0.03 1 1352 146 146 ILE HB H 1.58 0.03 1 1353 146 146 ILE HG12 H 0.79 0.03 2 1354 146 146 ILE HG13 H 1.33 0.03 2 1355 146 146 ILE HG2 H 0.73 0.03 1 1356 146 146 ILE HD1 H 0.74 0.03 1 1357 146 146 ILE CA C 61.13 0.20 1 1358 146 146 ILE CB C 41.67 0.20 1 1359 146 146 ILE CG1 C 28.09 0.20 1 1360 146 146 ILE CG2 C 16.71 0.20 1 1361 146 146 ILE CD1 C 14.32 0.20 1 1362 146 146 ILE N N 121.68 0.20 1 1363 147 147 ASP H H 8.75 0.03 1 1364 147 147 ASP HA H 5.28 0.03 1 1365 147 147 ASP HB2 H 2.55 0.03 2 1366 147 147 ASP HB3 H 2.87 0.03 2 1367 147 147 ASP CA C 50.15 0.20 1 1368 147 147 ASP CB C 42.16 0.20 1 1369 147 147 ASP N N 126.17 0.20 1 1370 148 148 PRO HA H 4.28 0.03 1 1371 148 148 PRO HB2 H 2.36 0.03 2 1372 148 148 PRO HB3 H 2.11 0.03 2 1373 148 148 PRO HG2 H 2.03 0.03 2 1374 148 148 PRO HG3 H 2.17 0.03 2 1375 148 148 PRO HD2 H 3.89 0.03 2 1376 148 148 PRO HD3 H 4.08 0.03 2 1377 148 148 PRO CA C 64.43 0.20 1 1378 148 148 PRO CB C 32.39 0.20 1 1379 148 148 PRO CG C 27.13 0.20 1 1380 148 148 PRO CD C 51.31 0.20 1 1381 149 149 GLU H H 8.04 0.03 1 1382 149 149 GLU HA H 4.20 0.03 1 1383 149 149 GLU HB2 H 2.12 0.03 2 1384 149 149 GLU HB3 H 2.16 0.03 2 1385 149 149 GLU HG2 H 2.16 0.03 2 1386 149 149 GLU HG3 H 2.25 0.03 2 1387 149 149 GLU CA C 59.10 0.20 1 1388 149 149 GLU CB C 29.75 0.20 1 1389 149 149 GLU CG C 36.67 0.20 1 1390 149 149 GLU N N 118.41 0.20 1 1391 150 150 ARG H H 7.28 0.03 1 1392 150 150 ARG HA H 4.29 0.03 1 1393 150 150 ARG HB2 H 1.28 0.03 2 1394 150 150 ARG HB3 H 1.91 0.03 2 1395 150 150 ARG HG2 H 1.59 0.03 2 1396 150 150 ARG HG3 H 1.59 0.03 2 1397 150 150 ARG HD2 H 3.22 0.03 2 1398 150 150 ARG HD3 H 3.22 0.03 2 1399 150 150 ARG CA C 56.19 0.20 1 1400 150 150 ARG CB C 30.96 0.20 1 1401 150 150 ARG CG C 28.98 0.20 1 1402 150 150 ARG CD C 43.05 0.20 1 1403 150 150 ARG N N 116.02 0.20 1 1404 151 151 GLN H H 7.89 0.03 1 1405 151 151 GLN HA H 3.59 0.03 1 1406 151 151 GLN HB2 H 2.48 0.03 2 1407 151 151 GLN HB3 H 1.92 0.03 2 1408 151 151 GLN HG2 H 2.29 0.03 2 1409 151 151 GLN HG3 H 2.24 0.03 2 1410 151 151 GLN CA C 57.04 0.20 1 1411 151 151 GLN CB C 26.01 0.20 1 1412 151 151 GLN CG C 34.17 0.20 1 1413 151 151 GLN N N 114.99 0.20 1 1414 152 152 GLU H H 7.34 0.03 1 1415 152 152 GLU HA H 5.04 0.03 1 1416 152 152 GLU HB2 H 1.63 0.03 2 1417 152 152 GLU HB3 H 1.75 0.03 2 1418 152 152 GLU HG2 H 2.04 0.03 2 1419 152 152 GLU HG3 H 2.29 0.03 2 1420 152 152 GLU CA C 53.95 0.20 1 1421 152 152 GLU CB C 35.06 0.20 1 1422 152 152 GLU CG C 37.15 0.20 1 1423 152 152 GLU N N 113.99 0.20 1 1424 153 153 LEU H H 9.30 0.03 1 1425 153 153 LEU HA H 4.83 0.03 1 1426 153 153 LEU HB2 H 1.16 0.03 2 1427 153 153 LEU HB3 H 1.45 0.03 2 1428 153 153 LEU HG H 1.29 0.03 1 1429 153 153 LEU HD1 H 0.31 0.03 2 1430 153 153 LEU HD2 H 0.54 0.03 2 1431 153 153 LEU CA C 52.88 0.20 1 1432 153 153 LEU CB C 45.66 0.20 1 1433 153 153 LEU CG C 26.84 0.20 1 1434 153 153 LEU CD1 C 26.53 0.20 2 1435 153 153 LEU CD2 C 25.19 0.20 2 1436 153 153 LEU N N 121.10 0.20 1 1437 154 154 LYS H H 8.46 0.03 1 1438 154 154 LYS HA H 4.94 0.03 1 1439 154 154 LYS HB2 H 1.59 0.03 2 1440 154 154 LYS HB3 H 1.59 0.03 2 1441 154 154 LYS HG2 H 1.10 0.03 2 1442 154 154 LYS HG3 H 1.16 0.03 2 1443 154 154 LYS HD2 H 1.42 0.03 2 1444 154 154 LYS HD3 H 1.62 0.03 2 1445 154 154 LYS HE2 H 2.78 0.03 2 1446 154 154 LYS HE3 H 2.75 0.03 2 1447 154 154 LYS CA C 55.50 0.20 1 1448 154 154 LYS CB C 34.01 0.20 1 1449 154 154 LYS CG C 25.30 0.20 1 1450 154 154 LYS CD C 29.31 0.20 1 1451 154 154 LYS CE C 41.83 0.20 1 1452 154 154 LYS N N 121.32 0.20 1 1453 155 155 VAL H H 9.18 0.03 1 1454 155 155 VAL HA H 4.55 0.03 1 1455 155 155 VAL HB H 1.62 0.03 1 1456 155 155 VAL HG1 H 0.41 0.03 2 1457 155 155 VAL HG2 H 0.54 0.03 2 1458 155 155 VAL CA C 59.87 0.20 1 1459 155 155 VAL CB C 34.63 0.20 1 1460 155 155 VAL CG1 C 20.90 0.20 2 1461 155 155 VAL CG2 C 22.72 0.20 2 1462 155 155 VAL N N 127.86 0.20 1 1463 156 156 ASN H H 8.78 0.03 1 1464 156 156 ASN HA H 5.16 0.03 1 1465 156 156 ASN HB2 H 2.53 0.03 2 1466 156 156 ASN HB3 H 2.45 0.03 2 1467 156 156 ASN CA C 51.84 0.20 1 1468 156 156 ASN CB C 39.03 0.20 1 1469 156 156 ASN N N 125.40 0.20 1 1470 157 157 VAL H H 8.64 0.03 1 1471 157 157 VAL HA H 4.55 0.03 1 1472 157 157 VAL HB H 1.86 0.03 1 1473 157 157 VAL HG1 H 0.46 0.03 2 1474 157 157 VAL HG2 H 0.71 0.03 2 1475 157 157 VAL CA C 60.21 0.20 1 1476 157 157 VAL CB C 34.31 0.20 1 1477 157 157 VAL CG1 C 20.29 0.20 2 1478 157 157 VAL CG2 C 21.73 0.20 2 1479 157 157 VAL N N 124.66 0.20 1 1480 158 158 THR H H 8.94 0.03 1 1481 158 158 THR HA H 4.91 0.03 1 1482 158 158 THR HB H 4.02 0.03 1 1483 158 158 THR HG2 H 0.99 0.03 1 1484 158 158 THR CA C 62.61 0.20 1 1485 158 158 THR CB C 68.79 0.20 1 1486 158 158 THR N N 122.05 0.20 1 1487 159 159 ILE H H 8.65 0.03 1 1488 159 159 ILE HA H 4.40 0.03 1 1489 159 159 ILE HB H 1.60 0.03 1 1490 159 159 ILE HG12 H -0.19 0.03 2 1491 159 159 ILE HG13 H 1.10 0.03 2 1492 159 159 ILE HG2 H 0.61 0.03 1 1493 159 159 ILE HD1 H 0.82 0.03 1 1494 159 159 ILE CA C 60.61 0.20 1 1495 159 159 ILE CB C 40.44 0.20 1 1496 159 159 ILE CG1 C 26.92 0.20 1 1497 159 159 ILE CG2 C 14.39 0.20 1 1498 159 159 ILE CD1 C 14.79 0.20 1 1499 159 159 ILE N N 126.81 0.20 1 1500 160 160 PHE H H 8.82 0.03 1 1501 160 160 PHE HA H 4.51 0.03 1 1502 160 160 PHE HB2 H 3.46 0.03 2 1503 160 160 PHE HB3 H 3.36 0.03 2 1504 160 160 PHE HD1 H 7.03 0.03 1 1505 160 160 PHE HD2 H 7.03 0.03 1 1506 160 160 PHE HE1 H 6.91 0.03 1 1507 160 160 PHE HE2 H 6.91 0.03 1 1508 160 160 PHE CA C 57.65 0.20 1 1509 160 160 PHE CB C 37.16 0.20 1 1510 160 160 PHE N N 124.30 0.20 1 1511 161 161 GLY H H 8.77 0.03 1 1512 161 161 GLY HA2 H 4.16 0.03 2 1513 161 161 GLY HA3 H 3.63 0.03 2 1514 161 161 GLY CA C 45.84 0.20 1 1515 161 161 GLY N N 103.93 0.20 1 1516 162 162 ARG H H 8.13 0.03 1 1517 162 162 ARG HA H 4.80 0.03 1 1518 162 162 ARG HB2 H 2.00 0.03 2 1519 162 162 ARG HB3 H 2.00 0.03 2 1520 162 162 ARG HG2 H 1.80 0.03 2 1521 162 162 ARG HG3 H 1.80 0.03 2 1522 162 162 ARG HD2 H 3.24 0.03 2 1523 162 162 ARG HD3 H 3.34 0.03 2 1524 162 162 ARG CA C 54.44 0.20 1 1525 162 162 ARG CB C 33.23 0.20 1 1526 162 162 ARG CG C 26.44 0.20 1 1527 162 162 ARG CD C 43.80 0.20 1 1528 162 162 ARG N N 120.37 0.20 1 1529 163 163 GLU H H 8.57 0.03 1 1530 163 163 GLU HA H 4.63 0.03 1 1531 163 163 GLU HB2 H 1.81 0.03 2 1532 163 163 GLU HB3 H 2.05 0.03 2 1533 163 163 GLU HG2 H 2.07 0.03 2 1534 163 163 GLU HG3 H 2.21 0.03 2 1535 163 163 GLU CA C 57.06 0.20 1 1536 163 163 GLU CB C 30.50 0.20 1 1537 163 163 GLU CG C 37.04 0.20 1 1538 163 163 GLU N N 124.06 0.20 1 1539 164 164 THR H H 9.24 0.03 1 1540 164 164 THR HA H 4.76 0.03 1 1541 164 164 THR HB H 3.91 0.03 1 1542 164 164 THR HG2 H 0.89 0.03 1 1543 164 164 THR CA C 59.94 0.20 1 1544 164 164 THR CB C 72.47 0.20 1 1545 164 164 THR N N 124.45 0.20 1 1546 165 165 PRO HA H 4.99 0.03 1 1547 165 165 PRO HB2 H 1.62 0.03 2 1548 165 165 PRO HB3 H 2.02 0.03 2 1549 165 165 PRO HG2 H 1.97 0.03 2 1550 165 165 PRO HG3 H 2.11 0.03 2 1551 165 165 PRO HD2 H 3.74 0.03 2 1552 165 165 PRO HD3 H 3.76 0.03 2 1553 165 165 PRO CA C 61.87 0.20 1 1554 165 165 PRO CB C 32.19 0.20 1 1555 165 165 PRO CG C 27.09 0.20 1 1556 165 165 PRO CD C 51.14 0.20 1 1557 166 166 VAL H H 9.08 0.03 1 1558 166 166 VAL HA H 3.98 0.03 1 1559 166 166 VAL HB H 1.60 0.03 1 1560 166 166 VAL HG1 H 0.11 0.03 2 1561 166 166 VAL HG2 H 0.47 0.03 2 1562 166 166 VAL CA C 61.22 0.20 1 1563 166 166 VAL CB C 34.64 0.20 1 1564 166 166 VAL CG1 C 20.11 0.20 2 1565 166 166 VAL CG2 C 21.50 0.20 2 1566 166 166 VAL N N 123.88 0.20 1 1567 167 167 VAL H H 8.09 0.03 1 1568 167 167 VAL HA H 4.80 0.03 1 1569 167 167 VAL HB H 1.83 0.03 1 1570 167 167 VAL HG1 H 0.78 0.03 2 1571 167 167 VAL HG2 H 0.82 0.03 2 1572 167 167 VAL CA C 62.16 0.20 1 1573 167 167 VAL CB C 31.99 0.20 1 1574 167 167 VAL CG1 C 21.25 0.20 2 1575 167 167 VAL CG2 C 21.52 0.20 2 1576 167 167 VAL N N 126.09 0.20 1 1577 168 168 LEU H H 8.91 0.03 1 1578 168 168 LEU HA H 4.82 0.03 1 1579 168 168 LEU HB2 H 1.28 0.03 2 1580 168 168 LEU HB3 H 1.76 0.03 2 1581 168 168 LEU HG H 1.42 0.03 1 1582 168 168 LEU HD1 H 0.86 0.03 2 1583 168 168 LEU HD2 H 0.64 0.03 2 1584 168 168 LEU CA C 53.32 0.20 1 1585 168 168 LEU CB C 45.75 0.20 1 1586 168 168 LEU CG C 27.05 0.20 1 1587 168 168 LEU CD1 C 25.09 0.20 2 1588 168 168 LEU CD2 C 26.04 0.20 2 1589 168 168 LEU N N 129.39 0.20 1 1590 169 169 HIS H H 9.53 0.03 1 1591 169 169 HIS HA H 4.96 0.03 1 1592 169 169 HIS HB2 H 2.92 0.03 2 1593 169 169 HIS HB3 H 3.37 0.03 2 1594 169 169 HIS HD2 H 7.37 0.03 1 1595 169 169 HIS HE1 H 7.90 0.03 1 1596 169 169 HIS CA C 57.68 0.20 1 1597 169 169 HIS CB C 32.81 0.20 1 1598 169 169 HIS CD2 C 120.10 0.20 1 1599 169 169 HIS N N 122.08 0.20 1 1600 170 170 VAL H H 7.34 0.03 1 1601 170 170 VAL HA H 3.64 0.03 1 1602 170 170 VAL HB H 2.05 0.03 1 1603 170 170 VAL HG1 H 0.80 0.03 2 1604 170 170 VAL HG2 H 0.78 0.03 2 1605 170 170 VAL CA C 65.25 0.20 1 1606 170 170 VAL CB C 31.63 0.20 1 1607 170 170 VAL CG1 C 20.15 0.20 2 1608 170 170 VAL CG2 C 21.09 0.20 2 1609 170 170 VAL N N 120.58 0.20 1 1610 171 171 SER H H 8.68 0.03 1 1611 171 171 SER HA H 4.46 0.03 1 1612 171 171 SER HB2 H 4.18 0.03 2 1613 171 171 SER HB3 H 4.34 0.03 2 1614 171 171 SER CA C 60.24 0.20 1 1615 171 171 SER CB C 64.18 0.20 1 1616 171 171 SER N N 115.32 0.20 1 1617 172 172 GLU H H 8.29 0.03 1 1618 172 172 GLU HA H 4.30 0.03 1 1619 172 172 GLU HB2 H 2.61 0.03 2 1620 172 172 GLU HB3 H 2.61 0.03 2 1621 172 172 GLU HG2 H 2.43 0.03 2 1622 172 172 GLU HG3 H 2.03 0.03 2 1623 172 172 GLU CA C 57.18 0.20 1 1624 172 172 GLU CB C 31.50 0.20 1 1625 172 172 GLU CG C 39.54 0.20 1 1626 172 172 GLU N N 119.03 0.20 1 1627 173 173 VAL H H 7.24 0.03 1 1628 173 173 VAL HA H 5.51 0.03 1 1629 173 173 VAL HB H 1.83 0.03 1 1630 173 173 VAL HG1 H 0.48 0.03 2 1631 173 173 VAL HG2 H 0.66 0.03 2 1632 173 173 VAL CA C 58.44 0.20 1 1633 173 173 VAL CB C 36.25 0.20 1 1634 173 173 VAL CG1 C 19.26 0.20 2 1635 173 173 VAL CG2 C 23.01 0.20 2 1636 173 173 VAL N N 108.83 0.20 1 1637 174 174 GLU H H 8.90 0.03 1 1638 174 174 GLU HA H 4.81 0.03 1 1639 174 174 GLU HB2 H 1.93 0.03 2 1640 174 174 GLU HB3 H 2.00 0.03 2 1641 174 174 GLU HG2 H 2.26 0.03 2 1642 174 174 GLU HG3 H 2.26 0.03 2 1643 174 174 GLU CA C 54.81 0.20 1 1644 174 174 GLU CB C 34.43 0.20 1 1645 174 174 GLU CG C 36.47 0.20 1 1646 174 174 GLU N N 118.05 0.20 1 1647 175 175 LYS H H 8.96 0.03 1 1648 175 175 LYS HA H 4.46 0.03 1 1649 175 175 LYS HB2 H 1.79 0.03 2 1650 175 175 LYS HB3 H 1.90 0.03 2 1651 175 175 LYS HG2 H 1.47 0.03 2 1652 175 175 LYS HG3 H 1.55 0.03 2 1653 175 175 LYS HD2 H 1.54 0.03 2 1654 175 175 LYS HD3 H 1.63 0.03 2 1655 175 175 LYS HE2 H 2.87 0.03 2 1656 175 175 LYS HE3 H 2.87 0.03 2 1657 175 175 LYS CA C 58.02 0.20 1 1658 175 175 LYS CB C 33.56 0.20 1 1659 175 175 LYS CG C 25.97 0.20 1 1660 175 175 LYS CD C 29.15 0.20 1 1661 175 175 LYS CE C 42.16 0.20 1 1662 175 175 LYS N N 124.16 0.20 1 1663 176 176 ILE H H 8.14 0.03 1 1664 176 176 ILE HA H 4.22 0.03 1 1665 176 176 ILE HB H 1.71 0.03 1 1666 176 176 ILE HG12 H 1.01 0.03 2 1667 176 176 ILE HG13 H 1.47 0.03 2 1668 176 176 ILE HG2 H 0.90 0.03 1 1669 176 176 ILE HD1 H 0.79 0.03 1 1670 176 176 ILE CA C 61.78 0.20 1 1671 176 176 ILE CB C 39.03 0.20 1 1672 176 176 ILE CG1 C 27.79 0.20 1 1673 176 176 ILE CG2 C 17.57 0.20 1 1674 176 176 ILE CD1 C 13.60 0.20 1 1675 176 176 ILE N N 124.62 0.20 1 1676 177 177 GLU H H 7.86 0.03 1 1677 177 177 GLU HA H 4.19 0.03 1 1678 177 177 GLU HB2 H 2.04 0.03 2 1679 177 177 GLU HB3 H 1.89 0.03 2 1680 177 177 GLU HG2 H 2.16 0.03 2 1681 177 177 GLU HG3 H 2.16 0.03 2 1682 177 177 GLU CA C 57.94 0.20 1 1683 177 177 GLU CB C 31.77 0.20 1 1684 177 177 GLU CG C 36.75 0.20 1 1685 177 177 GLU N N 129.75 0.20 1 stop_ save_