data_5051 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N and Side-Chain 1H Chemical Shift Assignments for MTH1692 ; _BMRB_accession_number 5051 _BMRB_flat_file_name bmr5051.str _Entry_type original _Submission_date 2001-06-11 _Accession_date 2001-06-11 _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 Yee Adelinda . . 2 Chang X. . . 3 Pineda_Lucena A. . . 4 Wu B. . . 5 Semesi A. . . 6 Le B. . . 7 Ramelot T. . . 8 Lee G. M. . 9 Bhattacharyya S. . . 10 Gutierrez P. . . 11 Denisov A. . . 12 Lee C. H. . 13 Cort J. R. . 14 Kozlov G. . . 15 Liao J. . . 16 Finak G. . . 17 Chen L. . . 18 Wishart D. . . 19 Lee W. . . 20 McIntosh L. P. . 21 Gehring Kalle . . 22 Kennedy M. A. . 23 Edwards A. M. . 24 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 875 "13C chemical shifts" 309 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author . stop_ _Original_release_date 2002-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An NMR Approach to Stuctural Proteomics' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21843898 _PubMed_ID 11854485 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Chang X. . . 3 Pineda_Lucena A. . . 4 Wu B. . . 5 Semesi A. . . 6 Le B. . . 7 Ramelot T. . . 8 Lee G. M. . 9 Bhattacharyya S. . . 10 Gutierrez P. . . 11 Denisov A. . . 12 Lee C. H. . 13 Cort J. R. . 14 Kozlov G. . . 15 Liao J. . . 16 Finak G. . . 17 Chen L. . . 18 Wishart D. . . 19 Lee W. . . 20 McIntosh L. P. . 21 Gehring Kalle . . 22 Kennedy M. A. . 23 Edwards A. M. . 24 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 99 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1825 _Page_last 1830 _Year 2002 _Details . loop_ _Keyword 'structural genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system_MTH1692 _Saveframe_category molecular_system _Mol_system_name MTH1692 _Abbreviation_common MTH1692 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MTH1692 $MTH1692 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MTH1692 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MTH1692 _Abbreviation_common MTH1692 _Molecular_mass 22614 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; MLIRKITRKNPSPDVLEEAI SVMEGGGIVIYPTDTIYGLG VNALDEDAVRRLFRVKGRSP HKPVSICVSCVDEIPRFSRP SGDAMELMERILPGPYTVVL ERNELIPDVITGGSSRVGIR VPDDEICRRIAARFPVTATS ANISGKPPSPRLEEIVRDLD AVDLVLDAGDCLDMEPSTVI DLTVNPPRVLRRGKGPLDPV LLRGAGDV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ILE 4 ARG 5 LYS 6 ILE 7 THR 8 ARG 9 LYS 10 ASN 11 PRO 12 SER 13 PRO 14 ASP 15 VAL 16 LEU 17 GLU 18 GLU 19 ALA 20 ILE 21 SER 22 VAL 23 MET 24 GLU 25 GLY 26 GLY 27 GLY 28 ILE 29 VAL 30 ILE 31 TYR 32 PRO 33 THR 34 ASP 35 THR 36 ILE 37 TYR 38 GLY 39 LEU 40 GLY 41 VAL 42 ASN 43 ALA 44 LEU 45 ASP 46 GLU 47 ASP 48 ALA 49 VAL 50 ARG 51 ARG 52 LEU 53 PHE 54 ARG 55 VAL 56 LYS 57 GLY 58 ARG 59 SER 60 PRO 61 HIS 62 LYS 63 PRO 64 VAL 65 SER 66 ILE 67 CYS 68 VAL 69 SER 70 CYS 71 VAL 72 ASP 73 GLU 74 ILE 75 PRO 76 ARG 77 PHE 78 SER 79 ARG 80 PRO 81 SER 82 GLY 83 ASP 84 ALA 85 MET 86 GLU 87 LEU 88 MET 89 GLU 90 ARG 91 ILE 92 LEU 93 PRO 94 GLY 95 PRO 96 TYR 97 THR 98 VAL 99 VAL 100 LEU 101 GLU 102 ARG 103 ASN 104 GLU 105 LEU 106 ILE 107 PRO 108 ASP 109 VAL 110 ILE 111 THR 112 GLY 113 GLY 114 SER 115 SER 116 ARG 117 VAL 118 GLY 119 ILE 120 ARG 121 VAL 122 PRO 123 ASP 124 ASP 125 GLU 126 ILE 127 CYS 128 ARG 129 ARG 130 ILE 131 ALA 132 ALA 133 ARG 134 PHE 135 PRO 136 VAL 137 THR 138 ALA 139 THR 140 SER 141 ALA 142 ASN 143 ILE 144 SER 145 GLY 146 LYS 147 PRO 148 PRO 149 SER 150 PRO 151 ARG 152 LEU 153 GLU 154 GLU 155 ILE 156 VAL 157 ARG 158 ASP 159 LEU 160 ASP 161 ALA 162 VAL 163 ASP 164 LEU 165 VAL 166 LEU 167 ASP 168 ALA 169 GLY 170 ASP 171 CYS 172 LEU 173 ASP 174 MET 175 GLU 176 PRO 177 SER 178 THR 179 VAL 180 ILE 181 ASP 182 LEU 183 THR 184 VAL 185 ASN 186 PRO 187 PRO 188 ARG 189 VAL 190 LEU 191 ARG 192 ARG 193 GLY 194 LYS 195 GLY 196 PRO 197 LEU 198 ASP 199 PRO 200 VAL 201 LEU 202 LEU 203 ARG 204 GLY 205 ALA 206 GLY 207 ASP 208 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1JCU "Solution Structure Of Mth1692 Protein From Methanobacterium Thermoautotrophicum" 100.00 208 100.00 100.00 1.00e-140 DBJ BAM70792 "conserved hypothetical protein [Methanothermobacter thermautotrophicus CaT2]" 100.00 208 99.04 99.52 1.65e-138 GB AAB86164 "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 208 100.00 100.00 1.00e-140 REF NP_276803 "hypothetical protein MTH1692 [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 208 100.00 100.00 1.00e-140 REF WP_010877299 "hypothetical protein [Methanothermobacter thermautotrophicus]" 100.00 208 100.00 100.00 1.00e-140 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MTH1692 'Methanothermobacter thermautotrophicus' 145262 Archaea Euryarchaeota Methanobacterium thermoautotrophicum 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 $MTH1692 'recombinant technology' . . . . . 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 $MTH1692 3.0 mM [U-15N] NaCl 150 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MTH1692 3.0 mM '[U-13C; U-15N]' NaCl 150 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MTH1692 3.0 mM . NaCl 150 mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task 'data collection' stop_ _Details . save_ save_GIFA _Saveframe_category software _Name GIFA _Version 4.31 loop_ _Task 'data processing' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 0.9 loop_ _Task 'automated NOE assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 0.9 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_1H-1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _Sample_label . save_ save_3D_13C-1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 320 1 K 'ionic strength' 0.15 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D 1H-1H-15N NOESY' '3D 1H-1H-15N TOCSY' '3D 13C-1H-1H NOESY' '2D 1H-1H NOESY' stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MTH1692 _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 MET N N 121.0 0.25 1 2 . 1 MET H H 7.94 0.01 1 3 . 1 MET CA C 55.8 0.20 1 4 . 1 MET HA H 4.26 0.01 1 5 . 1 MET CB C 33.7 0.20 1 6 . 1 MET HB2 H 2.18 0.01 2 7 . 1 MET HB3 H 1.93 0.01 2 8 . 2 LEU N N 125.2 0.25 1 9 . 2 LEU H H 7.72 0.01 1 10 . 2 LEU CA C 53.7 0.20 1 11 . 2 LEU HA H 4.57 0.01 1 12 . 2 LEU CB C 43.6 0.20 1 13 . 2 LEU HB2 H 1.75 0.01 2 14 . 2 LEU HB3 H 1.45 0.01 2 15 . 2 LEU HG H 1.67 0.01 1 16 . 2 LEU HD1 H 0.91 0.01 1 17 . 2 LEU HD2 H 0.91 0.01 1 18 . 3 ILE N N 122.0 0.25 1 19 . 3 ILE H H 8.31 0.01 1 20 . 3 ILE CA C 60.0 0.20 1 21 . 3 ILE HA H 4.80 0.01 1 22 . 3 ILE CB C 38.8 0.20 1 23 . 3 ILE HB H 1.77 0.01 1 24 . 3 ILE HG2 H 0.91 0.01 1 25 . 3 ILE HD1 H 0.76 0.01 1 26 . 4 ARG N N 125.7 0.25 1 27 . 4 ARG H H 9.03 0.01 1 28 . 4 ARG CA C 51.9 0.20 1 29 . 4 ARG HA H 4.80 0.01 1 30 . 4 ARG CB C 32.7 0.20 1 31 . 4 ARG HB2 H 1.76 0.01 2 32 . 4 ARG HB3 H 1.69 0.01 2 33 . 4 ARG HG2 H 1.50 0.01 1 34 . 4 ARG HG3 H 1.50 0.01 1 35 . 5 LYS N N 123.2 0.25 1 36 . 5 LYS H H 8.47 0.01 1 37 . 5 LYS CA C 55.6 0.20 1 38 . 5 LYS HA H 4.93 0.01 1 39 . 5 LYS CB C 32.5 0.20 1 40 . 5 LYS HB2 H 1.81 0.01 1 41 . 5 LYS HB3 H 1.81 0.01 1 42 . 5 LYS HG2 H 1.55 0.01 2 43 . 5 LYS HG3 H 1.49 0.01 2 44 . 5 LYS HE2 H 3.33 0.01 2 45 . 5 LYS HE3 H 3.06 0.01 2 46 . 6 ILE N N 121.5 0.25 1 47 . 6 ILE H H 8.42 0.01 1 48 . 6 ILE CA C 58.7 0.20 1 49 . 6 ILE HA H 4.72 0.01 1 50 . 6 ILE CB C 43.0 0.20 1 51 . 6 ILE HB H 1.67 0.01 1 52 . 6 ILE HG2 H 0.71 0.01 1 53 . 6 ILE HG12 H 1.34 0.01 2 54 . 6 ILE HG13 H 1.25 0.01 2 55 . 6 ILE HD1 H 0.94 0.01 1 56 . 7 THR N N 114.0 0.25 1 57 . 7 THR H H 7.79 0.01 1 58 . 7 THR CA C 58.7 0.20 1 59 . 7 THR HA H 4.71 0.01 1 60 . 7 THR CB C 69.4 0.20 1 61 . 7 THR HB H 4.45 0.01 1 62 . 7 THR HG2 H 1.67 0.01 1 63 . 8 ARG N N 118.1 0.25 1 64 . 8 ARG H H 8.27 0.01 1 65 . 8 ARG HA H 3.99 0.01 1 66 . 8 ARG HB2 H 1.87 0.01 2 67 . 8 ARG HB3 H 1.68 0.01 2 68 . 8 ARG HG2 H 1.24 0.01 1 69 . 8 ARG HG3 H 1.24 0.01 1 70 . 9 LYS N N 114.9 0.25 1 71 . 9 LYS H H 7.65 0.01 1 72 . 9 LYS CA C 54.4 0.20 1 73 . 9 LYS HA H 4.45 0.01 1 74 . 9 LYS CB C 32.5 0.20 1 75 . 9 LYS HB2 H 1.74 0.01 1 76 . 9 LYS HB3 H 1.74 0.01 1 77 . 9 LYS HG2 H 1.40 0.01 1 78 . 9 LYS HG3 H 1.40 0.01 1 79 . 10 ASN N N 119.0 0.25 1 80 . 10 ASN H H 8.79 0.01 1 81 . 10 ASN HA H 4.56 0.01 1 82 . 10 ASN HB2 H 3.58 0.01 2 83 . 10 ASN HB3 H 3.28 0.01 2 84 . 13 PRO CA C 64.2 0.20 1 85 . 13 PRO HA H 4.37 0.01 1 86 . 13 PRO CB C 31.6 0.20 1 87 . 13 PRO HB2 H 2.14 0.01 2 88 . 13 PRO HB3 H 2.05 0.01 2 89 . 14 ASP N N 116.0 0.25 1 90 . 14 ASP H H 7.96 0.01 1 91 . 14 ASP CA C 56.4 0.20 1 92 . 14 ASP HA H 4.20 0.01 1 93 . 14 ASP CB C 39.8 0.20 1 94 . 14 ASP HB2 H 2.73 0.01 2 95 . 14 ASP HB3 H 2.50 0.01 2 96 . 15 VAL N N 120.4 0.25 1 97 . 15 VAL H H 7.37 0.01 1 98 . 15 VAL CA C 64.8 0.20 1 99 . 15 VAL HA H 3.92 0.01 1 100 . 15 VAL CB C 31.5 0.20 1 101 . 15 VAL HB H 2.03 0.01 1 102 . 15 VAL HG1 H 1.14 0.01 2 103 . 15 VAL HG2 H 0.93 0.01 2 104 . 16 LEU N N 118.6 0.25 1 105 . 16 LEU H H 7.46 0.01 1 106 . 16 LEU CA C 57.6 0.20 1 107 . 16 LEU CB C 40.5 0.20 1 108 . 16 LEU HB2 H 1.79 0.01 2 109 . 16 LEU HB3 H 1.20 0.01 2 110 . 16 LEU HD1 H 0.77 0.01 1 111 . 16 LEU HD2 H 0.77 0.01 1 112 . 17 GLU N N 116.5 0.25 1 113 . 17 GLU H H 8.15 0.01 1 114 . 17 GLU CA C 58.8 0.20 1 115 . 17 GLU HA H 3.99 0.01 1 116 . 17 GLU CB C 28.5 0.20 1 117 . 17 GLU HB2 H 2.12 0.01 2 118 . 17 GLU HB3 H 2.09 0.01 2 119 . 17 GLU HG2 H 2.34 0.01 1 120 . 17 GLU HG3 H 2.34 0.01 1 121 . 18 GLU N N 121.3 0.25 1 122 . 18 GLU H H 7.67 0.01 1 123 . 18 GLU CA C 59.1 0.20 1 124 . 18 GLU HA H 4.05 0.01 1 125 . 18 GLU CB C 29.0 0.20 1 126 . 18 GLU HB2 H 2.12 0.01 1 127 . 18 GLU HB3 H 2.12 0.01 1 128 . 18 GLU HG2 H 2.33 0.01 1 129 . 18 GLU HG3 H 2.33 0.01 1 130 . 19 ALA N N 120.2 0.25 1 131 . 19 ALA H H 8.00 0.01 1 132 . 19 ALA CA C 54.8 0.20 1 133 . 19 ALA HA H 3.92 0.01 1 134 . 19 ALA CB C 17.6 0.20 1 135 . 19 ALA HB H 1.51 0.01 1 136 . 20 ILE N N 118.1 0.25 1 137 . 20 ILE H H 8.28 0.01 1 138 . 20 ILE HA H 3.57 0.01 1 139 . 20 ILE HB H 1.52 0.01 1 140 . 20 ILE HG2 H 1.00 0.01 1 141 . 20 ILE HD1 H 0.79 0.01 1 142 . 21 SER N N 122.7 0.25 1 143 . 21 SER H H 8.52 0.01 1 144 . 21 SER CA C 61.7 0.20 1 145 . 21 SER HA H 3.74 0.01 1 146 . 21 SER CB C 66.0 0.20 1 147 . 21 SER HB2 H 4.13 0.01 2 148 . 21 SER HB3 H 4.04 0.01 2 149 . 22 VAL N N 118.1 0.25 1 150 . 22 VAL H H 8.27 0.01 1 151 . 22 VAL CA C 65.8 0.20 1 152 . 22 VAL HA H 3.91 0.01 1 153 . 22 VAL CB C 30.8 0.20 1 154 . 22 VAL HB H 2.01 0.01 1 155 . 22 VAL HG1 H 0.96 0.01 1 156 . 22 VAL HG2 H 0.96 0.01 1 157 . 23 MET N N 119.3 0.25 1 158 . 23 MET H H 8.12 0.01 1 159 . 23 MET CA C 58.9 0.20 1 160 . 23 MET HA H 4.40 0.01 1 161 . 23 MET CB C 34.2 0.20 1 162 . 23 MET HB2 H 2.04 0.01 2 163 . 23 MET HB3 H 1.89 0.01 2 164 . 23 MET HG2 H 2.81 0.01 2 165 . 23 MET HG3 H 2.74 0.01 2 166 . 24 GLU N N 125.7 0.25 1 167 . 24 GLU H H 9.70 0.01 1 168 . 24 GLU CA C 59.6 0.20 1 169 . 24 GLU HA H 3.76 0.01 1 170 . 24 GLU CB C 29.3 0.20 1 171 . 24 GLU HB2 H 2.50 0.01 2 172 . 24 GLU HB3 H 2.28 0.01 2 173 . 24 GLU HG2 H 2.43 0.01 1 174 . 24 GLU HG3 H 2.43 0.01 1 175 . 25 GLY N N 103.0 0.25 1 176 . 25 GLY H H 7.53 0.01 1 177 . 25 GLY CA C 44.6 0.20 1 178 . 25 GLY HA2 H 4.40 0.01 2 179 . 25 GLY HA3 H 3.84 0.01 2 180 . 26 GLY N N 106.2 0.25 1 181 . 26 GLY H H 7.82 0.01 1 182 . 26 GLY CA C 44.5 0.20 1 183 . 26 GLY HA2 H 4.38 0.01 2 184 . 26 GLY HA3 H 3.75 0.01 2 185 . 27 GLY N N 106.6 0.25 1 186 . 27 GLY H H 8.13 0.01 1 187 . 27 GLY CA C 43.9 0.20 1 188 . 27 GLY HA2 H 4.30 0.01 2 189 . 27 GLY HA3 H 3.39 0.01 2 190 . 28 ILE N N 116.5 0.25 1 191 . 28 ILE H H 9.15 0.01 1 192 . 28 ILE CA C 59.6 0.20 1 193 . 28 ILE HA H 4.98 0.01 1 194 . 28 ILE CB C 40.9 0.20 1 195 . 28 ILE HB H 1.55 0.01 1 196 . 28 ILE HG2 H 0.86 0.01 1 197 . 28 ILE HD1 H 0.80 0.01 1 198 . 29 VAL N N 124.8 0.25 1 199 . 29 VAL H H 9.30 0.01 1 200 . 29 VAL CA C 58.5 0.20 1 201 . 29 VAL HA H 5.52 0.01 1 202 . 29 VAL CB C 35.2 0.20 1 203 . 29 VAL HB H 2.11 0.01 1 204 . 29 VAL HG1 H 1.02 0.01 2 205 . 29 VAL HG2 H 0.87 0.01 2 206 . 30 ILE N N 125.4 0.25 1 207 . 30 ILE H H 8.71 0.01 1 208 . 30 ILE CA C 60.6 0.20 1 209 . 30 ILE HA H 5.36 0.01 1 210 . 30 ILE CB C 38.8 0.20 1 211 . 30 ILE HB H 1.75 0.01 1 212 . 30 ILE HG2 H 0.84 0.01 1 213 . 30 ILE HD1 H 0.94 0.01 1 214 . 31 TYR N N 124.5 0.25 1 215 . 31 TYR H H 8.99 0.01 1 216 . 31 TYR HA H 5.72 0.01 1 217 . 31 TYR HB2 H 2.75 0.01 2 218 . 31 TYR HB3 H 2.56 0.01 2 219 . 31 TYR HD1 H 6.87 0.01 3 220 . 31 TYR HE1 H 6.58 0.01 3 221 . 31 TYR HH H 10.38 0.01 1 222 . 32 PRO CA C 61.8 0.20 1 223 . 32 PRO HA H 3.65 0.01 1 224 . 32 PRO CB C 30.3 0.20 1 225 . 32 PRO HB2 H 1.73 0.01 2 226 . 32 PRO HB3 H 1.64 0.01 2 227 . 33 THR N N 106.9 0.25 1 228 . 33 THR H H 6.81 0.01 1 229 . 33 THR CA C 59.6 0.20 1 230 . 33 THR HA H 4.61 0.01 1 231 . 33 THR CB C 69.8 0.20 1 232 . 33 THR HB H 4.26 0.01 1 233 . 33 THR HG2 H 0.88 0.01 1 234 . 34 ASP N N 113.5 0.25 1 235 . 34 ASP H H 9.27 0.01 1 236 . 34 ASP CA C 55.4 0.20 1 237 . 34 ASP HA H 4.16 0.01 1 238 . 34 ASP CB C 38.2 0.20 1 239 . 34 ASP HB2 H 2.74 0.01 2 240 . 34 ASP HB3 H 2.46 0.01 2 241 . 35 THR N N 112.2 0.25 1 242 . 35 THR H H 8.36 0.01 1 243 . 35 THR HA H 4.55 0.01 1 244 . 35 THR HB H 4.50 0.01 1 245 . 35 THR HG2 H 0.93 0.01 1 246 . 36 ILE N N 118.2 0.25 1 247 . 36 ILE H H 8.27 0.01 1 248 . 36 ILE CA C 62.3 0.20 1 249 . 36 ILE CB C 33.9 0.20 1 250 . 37 TYR N N 120.6 0.25 1 251 . 37 TYR H H 8.60 0.01 1 252 . 37 TYR CA C 61.1 0.20 1 253 . 37 TYR HA H 4.28 0.01 1 254 . 37 TYR CB C 38.1 0.20 1 255 . 37 TYR HB2 H 2.95 0.01 2 256 . 37 TYR HB3 H 2.29 0.01 2 257 . 37 TYR HD1 H 6.87 0.01 3 258 . 37 TYR HE1 H 6.77 0.01 3 259 . 38 GLY N N 110.3 0.25 1 260 . 38 GLY H H 9.37 0.01 1 261 . 38 GLY CA C 44.8 0.20 1 262 . 38 GLY HA2 H 4.71 0.01 2 263 . 38 GLY HA3 H 2.56 0.01 2 264 . 39 LEU N N 119.7 0.25 1 265 . 39 LEU H H 8.18 0.01 1 266 . 39 LEU CA C 52.5 0.20 1 267 . 39 LEU HA H 5.04 0.01 1 268 . 39 LEU CB C 44.5 0.20 1 269 . 39 LEU HB2 H 1.46 0.01 2 270 . 39 LEU HB3 H 1.13 0.01 2 271 . 39 LEU HD1 H 0.88 0.01 1 272 . 39 LEU HD2 H 0.88 0.01 1 273 . 40 GLY N N 112.6 0.25 1 274 . 40 GLY H H 10.17 0.01 1 275 . 40 GLY CA C 46.6 0.20 1 276 . 40 GLY HA2 H 4.84 0.01 2 277 . 40 GLY HA3 H 3.40 0.01 2 278 . 41 VAL N N 115.6 0.25 1 279 . 41 VAL H H 7.99 0.01 1 280 . 41 VAL HA H 4.57 0.01 1 281 . 41 VAL HB H 1.74 0.01 1 282 . 41 VAL HG1 H 0.74 0.01 2 283 . 41 VAL HG2 H 0.65 0.01 2 284 . 42 ASN N N 117.0 0.25 1 285 . 42 ASN H H 8.55 0.01 1 286 . 42 ASN CA C 52.4 0.20 1 287 . 42 ASN HA H 4.56 0.01 1 288 . 42 ASN CB C 36.8 0.20 1 289 . 42 ASN HB2 H 2.68 0.01 2 290 . 42 ASN HB3 H 2.32 0.01 2 291 . 43 ALA N N 129.4 0.25 1 292 . 43 ALA H H 8.71 0.01 1 293 . 43 ALA CA C 52.8 0.20 1 294 . 43 ALA HA H 3.73 0.01 1 295 . 43 ALA CB C 19.3 0.20 1 296 . 43 ALA HB H 1.14 0.01 1 297 . 44 LEU N N 106.9 0.25 1 298 . 44 LEU H H 7.74 0.01 1 299 . 44 LEU CA C 52.8 0.20 1 300 . 44 LEU HA H 4.24 0.01 1 301 . 44 LEU CB C 39.9 0.20 1 302 . 44 LEU HB2 H 1.79 0.01 2 303 . 44 LEU HB3 H 1.74 0.01 2 304 . 44 LEU HG H 1.17 0.01 1 305 . 44 LEU HD1 H 0.96 0.01 2 306 . 44 LEU HD2 H 0.88 0.01 2 307 . 45 ASP N N 120.9 0.25 1 308 . 45 ASP H H 7.55 0.01 1 309 . 45 ASP CA C 51.5 0.20 1 310 . 45 ASP HA H 3.34 0.01 1 311 . 45 ASP CB C 40.5 0.20 1 312 . 45 ASP HB2 H 2.23 0.01 1 313 . 45 ASP HB3 H 2.23 0.01 1 314 . 46 GLU N N 122.7 0.25 1 315 . 46 GLU H H 8.56 0.01 1 316 . 46 GLU CA C 60.1 0.20 1 317 . 46 GLU HA H 3.68 0.01 1 318 . 46 GLU CB C 29.5 0.20 1 319 . 46 GLU HB2 H 2.09 0.01 1 320 . 46 GLU HB3 H 2.09 0.01 1 321 . 46 GLU HG2 H 2.34 0.01 1 322 . 46 GLU HG3 H 2.34 0.01 1 323 . 47 ASP N N 116.9 0.25 1 324 . 47 ASP H H 7.94 0.01 1 325 . 47 ASP CA C 57.0 0.20 1 326 . 47 ASP HA H 4.43 0.01 1 327 . 47 ASP CB C 40.4 0.20 1 328 . 47 ASP HB2 H 2.84 0.01 2 329 . 47 ASP HB3 H 2.69 0.01 2 330 . 48 ALA N N 125.2 0.25 1 331 . 48 ALA H H 7.87 0.01 1 332 . 48 ALA CA C 54.4 0.20 1 333 . 48 ALA HA H 4.11 0.01 1 334 . 48 ALA CB C 17.6 0.20 1 335 . 48 ALA HB H 1.51 0.01 1 336 . 49 VAL N N 117.6 0.25 1 337 . 49 VAL H H 8.31 0.01 1 338 . 49 VAL CA C 66.3 0.20 1 339 . 49 VAL HA H 3.57 0.01 1 340 . 49 VAL CB C 37.9 0.20 1 341 . 49 VAL HB H 1.52 0.01 1 342 . 49 VAL HG1 H 0.81 0.01 1 343 . 49 VAL HG2 H 0.81 0.01 1 344 . 50 ARG N N 115.6 0.25 1 345 . 50 ARG H H 8.42 0.01 1 346 . 50 ARG CA C 60.6 0.20 1 347 . 50 ARG HA H 4.04 0.01 1 348 . 50 ARG CB C 30.8 0.20 1 349 . 50 ARG HB2 H 1.82 0.01 1 350 . 50 ARG HB3 H 1.82 0.01 1 351 . 51 ARG N N 119.9 0.25 1 352 . 51 ARG H H 7.90 0.01 1 353 . 51 ARG CA C 60.0 0.20 1 354 . 51 ARG HA H 4.01 0.01 1 355 . 51 ARG CB C 29.4 0.20 1 356 . 51 ARG HB2 H 2.01 0.01 1 357 . 51 ARG HB3 H 2.01 0.01 1 358 . 51 ARG HG2 H 1.52 0.01 2 359 . 51 ARG HG3 H 1.47 0.01 2 360 . 52 LEU N N 121.5 0.25 1 361 . 52 LEU H H 8.28 0.01 1 362 . 52 LEU CA C 58.6 0.20 1 363 . 52 LEU HA H 3.88 0.01 1 364 . 52 LEU CB C 40.6 0.20 1 365 . 52 LEU HB2 H 2.53 0.01 2 366 . 52 LEU HB3 H 1.69 0.01 2 367 . 52 LEU HG H 1.01 0.01 1 368 . 52 LEU HD1 H 0.89 0.01 2 369 . 52 LEU HD2 H 0.79 0.01 2 370 . 53 PHE N N 117.4 0.25 1 371 . 53 PHE H H 8.47 0.01 1 372 . 53 PHE CA C 61.5 0.20 1 373 . 53 PHE HA H 3.91 0.01 1 374 . 53 PHE CB C 37.4 0.20 1 375 . 53 PHE HB2 H 3.34 0.01 2 376 . 53 PHE HB3 H 3.15 0.01 2 377 . 53 PHE HD1 H 7.30 0.01 3 378 . 53 PHE HE1 H 7.41 0.01 3 379 . 54 ARG N N 118.3 0.25 1 380 . 54 ARG H H 7.83 0.01 1 381 . 54 ARG CA C 59.1 0.20 1 382 . 54 ARG HA H 4.23 0.01 1 383 . 54 ARG CB C 29.4 0.20 1 384 . 54 ARG HB2 H 2.17 0.01 2 385 . 54 ARG HB3 H 2.08 0.01 2 386 . 54 ARG HG2 H 1.88 0.01 2 387 . 54 ARG HG3 H 1.69 0.01 2 388 . 55 VAL N N 120.2 0.25 1 389 . 55 VAL H H 8.54 0.01 1 390 . 55 VAL CA C 64.9 0.20 1 391 . 55 VAL HA H 3.80 0.01 1 392 . 55 VAL CB C 31.5 0.20 1 393 . 55 VAL HB H 2.18 0.01 1 394 . 55 VAL HG1 H 1.03 0.01 2 395 . 55 VAL HG2 H 0.88 0.01 2 396 . 56 LYS N N 114.4 0.25 1 397 . 56 LYS H H 7.84 0.01 1 398 . 56 LYS CA C 57.5 0.20 1 399 . 56 LYS HA H 3.79 0.01 1 400 . 56 LYS CB C 32.5 0.20 1 401 . 56 LYS HB2 H 1.86 0.01 2 402 . 56 LYS HB3 H 1.67 0.01 2 403 . 56 LYS HG2 H 1.55 0.01 1 404 . 56 LYS HG3 H 1.55 0.01 1 405 . 56 LYS HD2 H 1.33 0.01 1 406 . 56 LYS HD3 H 1.33 0.01 1 407 . 57 GLY N N 108.7 0.25 1 408 . 57 GLY H H 7.93 0.01 1 409 . 57 GLY HA2 H 4.23 0.01 2 410 . 57 GLY HA3 H 4.08 0.01 2 411 . 63 PRO CA C 62.6 0.20 1 412 . 63 PRO HA H 4.23 0.01 1 413 . 63 PRO CB C 33.7 0.20 1 414 . 63 PRO HB2 H 2.37 0.01 2 415 . 63 PRO HB3 H 2.03 0.01 2 416 . 63 PRO HG2 H 1.95 0.01 1 417 . 63 PRO HG3 H 1.95 0.01 1 418 . 64 VAL N N 115.8 0.25 1 419 . 64 VAL H H 8.76 0.01 1 420 . 64 VAL CA C 59.1 0.20 1 421 . 64 VAL HA H 4.72 0.01 1 422 . 64 VAL CB C 34.8 0.20 1 423 . 64 VAL HB H 2.20 0.01 1 424 . 64 VAL HG1 H 1.13 0.01 2 425 . 64 VAL HG2 H 0.96 0.01 2 426 . 65 SER N N 119.0 0.25 1 427 . 65 SER H H 8.21 0.01 1 428 . 65 SER CA C 57.2 0.20 1 429 . 65 SER HA H 5.03 0.01 1 430 . 65 SER CB C 64.1 0.20 1 431 . 65 SER HB2 H 3.74 0.01 2 432 . 65 SER HB3 H 3.67 0.01 2 433 . 66 ILE N N 112.8 0.25 1 434 . 66 ILE H H 8.72 0.01 1 435 . 66 ILE CA C 58.7 0.20 1 436 . 66 ILE HA H 5.08 0.01 1 437 . 66 ILE HB H 1.44 0.01 1 438 . 66 ILE HG2 H 0.76 0.01 1 439 . 66 ILE HD1 H 0.49 0.01 1 440 . 67 CYS N N 120.9 0.25 1 441 . 67 CYS H H 9.68 0.01 1 442 . 67 CYS CA C 56.5 0.20 1 443 . 67 CYS HA H 5.44 0.01 1 444 . 67 CYS CB C 28.0 0.20 1 445 . 67 CYS HB2 H 2.90 0.01 2 446 . 67 CYS HB3 H 2.66 0.01 2 447 . 68 VAL N N 116.0 0.25 1 448 . 68 VAL H H 8.20 0.01 1 449 . 68 VAL CA C 58.8 0.20 1 450 . 68 VAL HA H 4.84 0.01 1 451 . 68 VAL CB C 33.9 0.20 1 452 . 68 VAL HB H 2.23 0.01 1 453 . 68 VAL HG1 H 0.91 0.01 2 454 . 68 VAL HG2 H 0.79 0.01 2 455 . 69 SER N N 113.3 0.25 1 456 . 69 SER H H 8.50 0.01 1 457 . 69 SER CA C 60.9 0.20 1 458 . 69 SER HA H 4.01 0.01 1 459 . 69 SER CB C 63.8 0.20 1 460 . 69 SER HB2 H 3.90 0.01 2 461 . 69 SER HB3 H 3.81 0.01 2 462 . 70 CYS N N 109.4 0.25 1 463 . 70 CYS H H 7.25 0.01 1 464 . 70 CYS HA H 4.73 0.01 1 465 . 70 CYS HB2 H 3.43 0.01 2 466 . 70 CYS HB3 H 3.11 0.01 2 467 . 71 VAL N N 121.8 0.25 1 468 . 71 VAL H H 9.00 0.01 1 469 . 71 VAL CA C 60.6 0.20 1 470 . 71 VAL HA H 3.56 0.01 1 471 . 71 VAL CB C 30.2 0.20 1 472 . 71 VAL HB H 2.03 0.01 1 473 . 71 VAL HG1 H 0.96 0.01 2 474 . 71 VAL HG2 H 0.89 0.01 2 475 . 72 ASP N N 115.6 0.25 1 476 . 72 ASP H H 8.25 0.01 1 477 . 72 ASP CA C 56.0 0.20 1 478 . 72 ASP HA H 4.31 0.01 1 479 . 72 ASP CB C 39.9 0.20 1 480 . 72 ASP HB2 H 2.65 0.01 1 481 . 72 ASP HB3 H 2.65 0.01 1 482 . 73 GLU N N 115.3 0.25 1 483 . 73 GLU H H 7.39 0.01 1 484 . 73 GLU CA C 56.4 0.20 1 485 . 73 GLU HA H 4.31 0.01 1 486 . 73 GLU CB C 30.6 0.20 1 487 . 73 GLU HB2 H 2.25 0.01 2 488 . 73 GLU HB3 H 2.15 0.01 2 489 . 73 GLU HG2 H 2.66 0.01 2 490 . 73 GLU HG3 H 2.40 0.01 2 491 . 74 ILE N N 119.9 0.25 1 492 . 74 ILE H H 7.90 0.01 1 493 . 74 ILE HA H 3.67 0.01 1 494 . 74 ILE HB H 2.03 0.01 1 495 . 74 ILE HG2 H 0.94 0.01 1 496 . 74 ILE HD1 H 0.78 0.01 1 497 . 76 ARG CA C 57.5 0.20 1 498 . 76 ARG CB C 29.1 0.20 1 499 . 77 PHE N N 114.2 0.25 1 500 . 77 PHE H H 7.38 0.01 1 501 . 77 PHE CA C 57.5 0.20 1 502 . 77 PHE HA H 4.94 0.01 1 503 . 77 PHE CB C 41.4 0.20 1 504 . 77 PHE HB2 H 3.32 0.01 2 505 . 77 PHE HB3 H 2.31 0.01 2 506 . 77 PHE HD1 H 7.16 0.01 3 507 . 77 PHE HE1 H 6.74 0.01 3 508 . 78 SER N N 108.2 0.25 1 509 . 78 SER H H 7.40 0.01 1 510 . 78 SER CA C 57.4 0.20 1 511 . 78 SER HA H 4.97 0.01 1 512 . 78 SER CB C 66.2 0.20 1 513 . 78 SER HB2 H 3.62 0.01 2 514 . 78 SER HB3 H 3.59 0.01 2 515 . 79 ARG N N 114.4 0.25 1 516 . 79 ARG H H 8.29 0.01 1 517 . 79 ARG HA H 4.99 0.01 1 518 . 79 ARG HB2 H 1.55 0.01 1 519 . 79 ARG HB3 H 1.55 0.01 1 520 . 79 ARG HG2 H 1.99 0.01 2 521 . 79 ARG HG3 H 1.79 0.01 2 522 . 80 PRO CA C 61.7 0.20 1 523 . 80 PRO HA H 4.39 0.01 1 524 . 80 PRO CB C 31.8 0.20 1 525 . 80 PRO HB2 H 1.60 0.01 1 526 . 80 PRO HB3 H 1.60 0.01 1 527 . 80 PRO HG2 H 1.96 0.01 1 528 . 80 PRO HG3 H 1.96 0.01 1 529 . 81 SER N N 117.9 0.25 1 530 . 81 SER H H 8.40 0.01 1 531 . 81 SER CA C 56.5 0.20 1 532 . 81 SER HA H 4.64 0.01 1 533 . 81 SER CB C 64.7 0.20 1 534 . 81 SER HB2 H 4.14 0.01 1 535 . 81 SER HB3 H 4.14 0.01 1 536 . 82 GLY N N 108.7 0.25 1 537 . 82 GLY H H 8.89 0.01 1 538 . 82 GLY HA2 H 4.01 0.01 2 539 . 82 GLY HA3 H 3.84 0.01 2 540 . 83 ASP N N 120.2 0.25 1 541 . 83 ASP H H 8.17 0.01 1 542 . 83 ASP CA C 56.2 0.20 1 543 . 83 ASP HA H 4.45 0.01 1 544 . 83 ASP CB C 40.0 0.20 1 545 . 83 ASP HB2 H 2.65 0.01 2 546 . 83 ASP HB3 H 2.46 0.01 2 547 . 84 ALA N N 122.9 0.25 1 548 . 84 ALA H H 8.05 0.01 1 549 . 84 ALA CA C 54.8 0.20 1 550 . 84 ALA HA H 4.12 0.01 1 551 . 84 ALA CB C 18.4 0.20 1 552 . 84 ALA HB H 1.61 0.01 1 553 . 85 MET N N 116.7 0.25 1 554 . 85 MET H H 8.19 0.01 1 555 . 85 MET CA C 57.1 0.20 1 556 . 85 MET HA H 4.30 0.01 1 557 . 85 MET CB C 30.5 0.20 1 558 . 85 MET HB2 H 2.19 0.01 2 559 . 85 MET HB3 H 2.08 0.01 2 560 . 85 MET HG2 H 2.54 0.01 1 561 . 85 MET HG3 H 2.54 0.01 1 562 . 86 GLU N N 118.1 0.25 1 563 . 86 GLU H H 7.74 0.01 1 564 . 86 GLU CA C 59.1 0.20 1 565 . 86 GLU HA H 4.01 0.01 1 566 . 86 GLU CB C 28.8 0.20 1 567 . 86 GLU HB2 H 2.11 0.01 1 568 . 86 GLU HB3 H 2.11 0.01 1 569 . 86 GLU HG2 H 2.44 0.01 2 570 . 86 GLU HG3 H 2.20 0.01 2 571 . 87 LEU N N 118.1 0.25 1 572 . 87 LEU H H 7.43 0.01 1 573 . 87 LEU CA C 57.6 0.20 1 574 . 87 LEU HA H 4.10 0.01 1 575 . 87 LEU CB C 41.3 0.20 1 576 . 87 LEU HB2 H 1.76 0.01 1 577 . 87 LEU HB3 H 1.76 0.01 1 578 . 87 LEU HG H 1.51 0.01 1 579 . 87 LEU HD1 H 0.98 0.01 2 580 . 87 LEU HD2 H 0.90 0.01 2 581 . 88 MET N N 117.4 0.25 1 582 . 88 MET H H 8.61 0.01 1 583 . 88 MET CA C 60.7 0.20 1 584 . 88 MET HA H 3.67 0.01 1 585 . 88 MET CB C 33.4 0.20 1 586 . 88 MET HB2 H 1.97 0.01 2 587 . 88 MET HB3 H 1.76 0.01 2 588 . 88 MET HG2 H 2.41 0.01 1 589 . 88 MET HG3 H 2.41 0.01 1 590 . 89 GLU N N 114.0 0.25 1 591 . 89 GLU H H 7.94 0.01 1 592 . 89 GLU CA C 58.2 0.20 1 593 . 89 GLU HA H 4.09 0.01 1 594 . 89 GLU CB C 28.8 0.20 1 595 . 89 GLU HB2 H 2.12 0.01 1 596 . 89 GLU HB3 H 2.12 0.01 1 597 . 89 GLU HG2 H 2.52 0.01 2 598 . 89 GLU HG3 H 2.32 0.01 2 599 . 90 ARG N N 114.4 0.25 1 600 . 90 ARG H H 7.40 0.01 1 601 . 90 ARG CA C 57.4 0.20 1 602 . 90 ARG HA H 4.40 0.01 1 603 . 90 ARG CB C 31.0 0.20 1 604 . 90 ARG HB2 H 2.04 0.01 1 605 . 90 ARG HB3 H 2.04 0.01 1 606 . 90 ARG HG2 H 1.69 0.01 1 607 . 90 ARG HG3 H 1.69 0.01 1 608 . 91 ILE N N 108.7 0.25 1 609 . 91 ILE H H 7.37 0.01 1 610 . 91 ILE CA C 61.8 0.20 1 611 . 91 ILE HA H 4.49 0.01 1 612 . 91 ILE CB C 38.3 0.20 1 613 . 91 ILE HB H 1.69 0.01 1 614 . 91 ILE HG2 H 0.57 0.01 1 615 . 91 ILE HG12 H 1.05 0.01 2 616 . 91 ILE HG13 H 0.92 0.01 2 617 . 91 ILE HD1 H -0.10 0.01 1 618 . 92 LEU N N 119.2 0.25 1 619 . 92 LEU H H 7.86 0.01 1 620 . 92 LEU HA H 4.74 0.01 1 621 . 92 LEU HB2 H 1.97 0.01 1 622 . 92 LEU HB3 H 1.97 0.01 1 623 . 92 LEU HD1 H 0.83 0.01 1 624 . 92 LEU HD2 H 0.83 0.01 1 625 . 93 PRO CA C 61.7 0.20 1 626 . 93 PRO HA H 4.45 0.01 1 627 . 93 PRO CB C 34.8 0.20 1 628 . 93 PRO HB2 H 2.28 0.01 2 629 . 93 PRO HB3 H 1.76 0.01 2 630 . 93 PRO HG2 H 2.05 0.01 2 631 . 93 PRO HG3 H 1.96 0.01 2 632 . 94 GLY N N 107.8 0.25 1 633 . 94 GLY H H 8.66 0.01 1 634 . 94 GLY HA2 H 4.96 0.01 2 635 . 94 GLY HA3 H 4.74 0.01 2 636 . 95 PRO CA C 62.7 0.20 1 637 . 95 PRO HA H 4.67 0.01 1 638 . 95 PRO HB2 H 2.08 0.01 2 639 . 95 PRO HB3 H 2.00 0.01 2 640 . 95 PRO HG2 H 1.72 0.01 2 641 . 95 PRO HG3 H 1.60 0.01 2 642 . 96 TYR N N 117.6 0.25 1 643 . 96 TYR H H 8.19 0.01 1 644 . 96 TYR CA C 56.3 0.20 1 645 . 96 TYR HA H 5.71 0.01 1 646 . 96 TYR CB C 42.6 0.20 1 647 . 96 TYR HB2 H 2.84 0.01 2 648 . 96 TYR HB3 H 2.40 0.01 2 649 . 96 TYR HD1 H 6.75 0.01 3 650 . 97 THR N N 122.5 0.25 1 651 . 97 THR H H 9.54 0.01 1 652 . 97 THR CA C 62.6 0.20 1 653 . 97 THR HA H 4.74 0.01 1 654 . 97 THR CB C 70.0 0.20 1 655 . 97 THR HB H 3.96 0.01 1 656 . 97 THR HG2 H 0.84 0.01 1 657 . 98 VAL N N 121.8 0.25 1 658 . 98 VAL H H 9.58 0.01 1 659 . 98 VAL CA C 58.3 0.20 1 660 . 98 VAL HA H 5.30 0.01 1 661 . 98 VAL CB C 32.6 0.20 1 662 . 98 VAL HB H 2.03 0.01 1 663 . 98 VAL HG1 H 1.06 0.01 1 664 . 98 VAL HG2 H 1.06 0.01 1 665 . 99 VAL N N 125.2 0.25 1 666 . 99 VAL H H 8.94 0.01 1 667 . 99 VAL CA C 61.7 0.20 1 668 . 99 VAL HA H 4.90 0.01 1 669 . 99 VAL CB C 31.6 0.20 1 670 . 99 VAL HB H 2.03 0.01 1 671 . 99 VAL HG1 H 0.87 0.01 2 672 . 99 VAL HG2 H 0.83 0.01 2 673 . 100 LEU N N 125.4 0.25 1 674 . 100 LEU H H 8.54 0.01 1 675 . 100 LEU CA C 51.9 0.20 1 676 . 100 LEU HA H 4.62 0.01 1 677 . 100 LEU CB C 49.1 0.20 1 678 . 100 LEU HB2 H 1.54 0.01 2 679 . 100 LEU HB3 H 1.37 0.01 2 680 . 100 LEU HG H 1.69 0.01 1 681 . 100 LEU HD1 H 0.88 0.01 2 682 . 100 LEU HD2 H 0.81 0.01 2 683 . 101 GLU N N 119.5 0.25 1 684 . 101 GLU H H 8.43 0.01 1 685 . 101 GLU CA C 55.4 0.20 1 686 . 101 GLU HA H 4.76 0.01 1 687 . 101 GLU CB C 29.9 0.20 1 688 . 101 GLU HB2 H 1.99 0.01 1 689 . 101 GLU HB3 H 1.99 0.01 1 690 . 101 GLU HG2 H 2.44 0.01 1 691 . 101 GLU HG3 H 2.44 0.01 1 692 . 102 ARG N N 122.2 0.25 1 693 . 102 ARG H H 8.81 0.01 1 694 . 102 ARG CA C 55.4 0.20 1 695 . 102 ARG HA H 4.96 0.01 1 696 . 102 ARG CB C 30.1 0.20 1 697 . 102 ARG HB2 H 1.59 0.01 1 698 . 102 ARG HB3 H 1.59 0.01 1 699 . 102 ARG HG2 H 1.67 0.01 1 700 . 102 ARG HG3 H 1.67 0.01 1 701 . 103 ASN N N 117.6 0.25 1 702 . 103 ASN H H 6.84 0.01 1 703 . 103 ASN CA C 50.2 0.20 1 704 . 103 ASN HA H 4.89 0.01 1 705 . 103 ASN CB C 38.9 0.20 1 706 . 103 ASN HB2 H 3.31 0.01 2 707 . 103 ASN HB3 H 2.31 0.01 2 708 . 104 GLU N N 113.7 0.25 1 709 . 104 GLU H H 8.91 0.01 1 710 . 104 GLU CA C 58.0 0.20 1 711 . 104 GLU HA H 4.14 0.01 1 712 . 104 GLU CB C 28.2 0.20 1 713 . 104 GLU HB2 H 2.11 0.01 2 714 . 104 GLU HB3 H 2.03 0.01 2 715 . 105 LEU N N 119.0 0.25 1 716 . 105 LEU H H 7.89 0.01 1 717 . 105 LEU CA C 55.9 0.20 1 718 . 105 LEU HA H 4.26 0.01 1 719 . 105 LEU CB C 41.9 0.20 1 720 . 105 LEU HB2 H 2.16 0.01 2 721 . 105 LEU HB3 H 1.78 0.01 2 722 . 105 LEU HD1 H 1.02 0.01 2 723 . 105 LEU HD2 H 0.96 0.01 2 724 . 106 ILE N N 116.5 0.25 1 725 . 106 ILE H H 7.06 0.01 1 726 . 106 ILE HA H 4.57 0.01 1 727 . 106 ILE HB H 2.02 0.01 1 728 . 106 ILE HG2 H 0.95 0.01 1 729 . 106 ILE HG12 H 1.61 0.01 2 730 . 106 ILE HG13 H 1.53 0.01 2 731 . 106 ILE HD1 H 0.74 0.01 1 732 . 107 PRO CA C 62.1 0.20 1 733 . 107 PRO HA H 4.40 0.01 1 734 . 107 PRO CB C 32.7 0.20 1 735 . 107 PRO HB2 H 2.07 0.01 1 736 . 107 PRO HB3 H 2.07 0.01 1 737 . 108 ASP N N 120.9 0.25 1 738 . 108 ASP H H 8.73 0.01 1 739 . 108 ASP CA C 56.5 0.20 1 740 . 108 ASP HA H 4.65 0.01 1 741 . 108 ASP CB C 39.8 0.20 1 742 . 108 ASP HB2 H 2.75 0.01 2 743 . 108 ASP HB3 H 2.53 0.01 2 744 . 109 VAL N N 110.5 0.25 1 745 . 109 VAL H H 7.84 0.01 1 746 . 109 VAL CA C 63.1 0.20 1 747 . 109 VAL HA H 4.04 0.01 1 748 . 109 VAL CB C 30.5 0.20 1 749 . 109 VAL HB H 2.13 0.01 1 750 . 109 VAL HG1 H 1.00 0.01 2 751 . 109 VAL HG2 H 0.95 0.01 2 752 . 110 ILE N N 117.4 0.25 1 753 . 110 ILE H H 7.33 0.01 1 754 . 110 ILE CA C 60.1 0.20 1 755 . 110 ILE HA H 4.23 0.01 1 756 . 110 ILE CB C 35.3 0.20 1 757 . 110 ILE HB H 2.46 0.01 1 758 . 110 ILE HG2 H 1.03 0.01 1 759 . 110 ILE HG12 H 2.07 0.01 2 760 . 110 ILE HG13 H 1.67 0.01 2 761 . 110 ILE HD1 H 0.81 0.01 1 762 . 111 THR N N 103.6 0.25 1 763 . 111 THR H H 7.02 0.01 1 764 . 111 THR HA H 4.69 0.01 1 765 . 111 THR HB H 4.40 0.01 1 766 . 111 THR HG2 H 1.05 0.01 1 767 . 112 GLY N N 113.7 0.25 1 768 . 112 GLY H H 8.23 0.01 1 769 . 112 GLY HA2 H 4.03 0.01 2 770 . 112 GLY HA3 H 3.88 0.01 2 771 . 113 GLY N N 105.3 0.25 1 772 . 113 GLY H H 8.29 0.01 1 773 . 113 GLY HA2 H 4.40 0.01 2 774 . 113 GLY HA3 H 4.33 0.01 2 775 . 114 SER N N 114.2 0.25 1 776 . 114 SER H H 7.37 0.01 1 777 . 114 SER HA H 3.62 0.01 1 778 . 114 SER HB2 H 3.91 0.01 2 779 . 114 SER HB3 H 3.74 0.01 2 780 . 115 SER N N 117.9 0.25 1 781 . 115 SER H H 8.43 0.01 1 782 . 115 SER CA C 58.6 0.20 1 783 . 115 SER CB C 63.2 0.20 1 784 . 116 ARG N N 121.6 0.25 1 785 . 116 ARG H H 7.95 0.01 1 786 . 116 ARG CA C 54.9 0.20 1 787 . 116 ARG HA H 4.96 0.01 1 788 . 116 ARG CB C 32.2 0.20 1 789 . 116 ARG HB2 H 1.58 0.01 1 790 . 116 ARG HB3 H 1.58 0.01 1 791 . 116 ARG HG2 H 1.45 0.01 1 792 . 116 ARG HG3 H 1.45 0.01 1 793 . 117 VAL N N 119.7 0.25 1 794 . 117 VAL H H 9.42 0.01 1 795 . 117 VAL CA C 58.0 0.20 1 796 . 117 VAL HA H 4.69 0.01 1 797 . 117 VAL CB C 36.3 0.20 1 798 . 117 VAL HB H 1.74 0.01 1 799 . 117 VAL HG1 H 1.03 0.01 2 800 . 117 VAL HG2 H 0.87 0.01 2 801 . 118 GLY N N 114.4 0.25 1 802 . 118 GLY H H 8.67 0.01 1 803 . 118 GLY CA C 44.1 0.20 1 804 . 118 GLY HA2 H 4.77 0.01 2 805 . 118 GLY HA3 H 3.25 0.01 2 806 . 119 ILE N N 125.4 0.25 1 807 . 119 ILE H H 9.42 0.01 1 808 . 119 ILE CA C 59.9 0.20 1 809 . 119 ILE HA H 4.91 0.01 1 810 . 119 ILE CB C 40.5 0.20 1 811 . 119 ILE HB H 1.67 0.01 1 812 . 119 ILE HG2 H 1.06 0.01 1 813 . 119 ILE HG12 H 0.92 0.01 1 814 . 119 ILE HG13 H 0.92 0.01 1 815 . 119 ILE HD1 H 0.83 0.01 1 816 . 120 ARG N N 123.4 0.25 1 817 . 120 ARG H H 9.31 0.01 1 818 . 120 ARG CA C 54.8 0.20 1 819 . 120 ARG HA H 4.84 0.01 1 820 . 120 ARG HB2 H 1.76 0.01 2 821 . 120 ARG HB3 H 1.67 0.01 2 822 . 120 ARG HG2 H 1.96 0.01 1 823 . 120 ARG HG3 H 1.96 0.01 1 824 . 121 VAL N N 120.2 0.25 1 825 . 121 VAL H H 9.30 0.01 1 826 . 121 VAL HA H 4.47 0.01 1 827 . 121 VAL HB H 2.16 0.01 1 828 . 121 VAL HG1 H 0.81 0.01 2 829 . 121 VAL HG2 H 0.74 0.01 2 830 . 122 PRO CA C 61.7 0.20 1 831 . 122 PRO HA H 4.45 0.01 1 832 . 122 PRO CB C 32.2 0.20 1 833 . 122 PRO HB2 H 2.30 0.01 1 834 . 122 PRO HB3 H 2.30 0.01 1 835 . 122 PRO HG2 H 1.76 0.01 2 836 . 122 PRO HG3 H 1.67 0.01 2 837 . 123 ASP N N 122.2 0.25 1 838 . 123 ASP H H 9.32 0.01 1 839 . 123 ASP CA C 51.7 0.20 1 840 . 123 ASP HA H 4.71 0.01 1 841 . 123 ASP CB C 38.0 0.20 1 842 . 123 ASP HB2 H 2.86 0.01 2 843 . 123 ASP HB3 H 2.06 0.01 2 844 . 124 ASP N N 120.2 0.25 1 845 . 124 ASP H H 7.51 0.01 1 846 . 124 ASP CA C 53.9 0.20 1 847 . 124 ASP HA H 4.71 0.01 1 848 . 124 ASP CB C 45.2 0.20 1 849 . 124 ASP HB2 H 2.54 0.01 2 850 . 124 ASP HB3 H 2.29 0.01 2 851 . 125 GLU N N 125.4 0.25 1 852 . 125 GLU H H 8.54 0.01 1 853 . 125 GLU CA C 59.1 0.20 1 854 . 125 GLU HA H 4.71 0.01 1 855 . 125 GLU CB C 30.0 0.20 1 856 . 125 GLU HB2 H 2.11 0.01 2 857 . 125 GLU HB3 H 1.96 0.01 2 858 . 125 GLU HG2 H 2.35 0.01 2 859 . 125 GLU HG3 H 2.28 0.01 2 860 . 126 ILE N N 118.8 0.25 1 861 . 126 ILE H H 8.49 0.01 1 862 . 126 ILE CA C 66.3 0.20 1 863 . 126 ILE HA H 3.48 0.01 1 864 . 126 ILE CB C 36.2 0.20 1 865 . 126 ILE HB H 1.86 0.01 1 866 . 126 ILE HG2 H 0.85 0.01 1 867 . 126 ILE HG12 H 1.68 0.01 2 868 . 126 ILE HD1 H 0.94 0.01 1 869 . 127 CYS N N 116.5 0.25 1 870 . 127 CYS H H 8.84 0.01 1 871 . 127 CYS CA C 63.7 0.20 1 872 . 127 CYS HA H 3.91 0.01 1 873 . 127 CYS CB C 27.5 0.20 1 874 . 127 CYS HB2 H 2.96 0.01 2 875 . 127 CYS HB3 H 2.85 0.01 2 876 . 128 ARG N N 114.2 0.25 1 877 . 128 ARG H H 7.53 0.01 1 878 . 128 ARG CA C 59.1 0.20 1 879 . 128 ARG HA H 4.08 0.01 1 880 . 128 ARG CB C 30.0 0.20 1 881 . 128 ARG HB2 H 2.05 0.01 2 882 . 128 ARG HB3 H 1.90 0.01 2 883 . 129 ARG N N 115.1 0.25 1 884 . 129 ARG H H 7.79 0.01 1 885 . 129 ARG CA C 57.4 0.20 1 886 . 129 ARG HA H 3.92 0.01 1 887 . 129 ARG CB C 30.5 0.20 1 888 . 129 ARG HB2 H 1.84 0.01 2 889 . 129 ARG HB3 H 1.74 0.01 2 890 . 130 ILE N N 116.9 0.25 1 891 . 130 ILE H H 8.54 0.01 1 892 . 130 ILE CA C 63.4 0.20 1 893 . 130 ILE HA H 4.06 0.01 1 894 . 130 ILE CB C 36.7 0.20 1 895 . 130 ILE HB H 1.75 0.01 1 896 . 130 ILE HG2 H 0.65 0.01 1 897 . 130 ILE HD1 H 0.11 0.01 1 898 . 131 ALA N N 120.6 0.25 1 899 . 131 ALA H H 6.52 0.01 1 900 . 131 ALA CA C 49.8 0.20 1 901 . 131 ALA HA H 4.84 0.01 1 902 . 131 ALA CB C 17.8 0.20 1 903 . 131 ALA HB H 1.15 0.01 1 904 . 132 ALA N N 116.7 0.25 1 905 . 132 ALA H H 6.67 0.01 1 906 . 132 ALA CA C 54.9 0.20 1 907 . 132 ALA HA H 3.87 0.01 1 908 . 132 ALA CB C 19.6 0.20 1 909 . 132 ALA HB H 1.39 0.01 1 910 . 133 ARG N N 113.3 0.25 1 911 . 133 ARG H H 8.35 0.01 1 912 . 133 ARG CA C 56.0 0.20 1 913 . 133 ARG HA H 4.42 0.01 1 914 . 133 ARG CB C 31.7 0.20 1 915 . 133 ARG HB2 H 1.82 0.01 2 916 . 133 ARG HB3 H 1.53 0.01 2 917 . 134 PHE N N 117.9 0.25 1 918 . 134 PHE H H 7.09 0.01 1 919 . 134 PHE HA H 3.57 0.01 1 920 . 134 PHE HB2 H 3.42 0.01 2 921 . 134 PHE HB3 H 3.18 0.01 2 922 . 134 PHE HD1 H 7.18 0.01 3 923 . 135 PRO CA C 61.7 0.20 1 924 . 135 PRO HA H 3.98 0.01 1 925 . 135 PRO CB C 31.6 0.20 1 926 . 135 PRO HB2 H 1.78 0.01 2 927 . 135 PRO HB3 H 1.39 0.01 2 928 . 135 PRO HG2 H 1.15 0.01 1 929 . 135 PRO HG3 H 1.15 0.01 1 930 . 136 VAL N N 118.3 0.25 1 931 . 136 VAL H H 8.00 0.01 1 932 . 136 VAL CA C 58.8 0.20 1 933 . 136 VAL HA H 5.33 0.01 1 934 . 136 VAL CB C 36.1 0.20 1 935 . 136 VAL HB H 1.61 0.01 1 936 . 136 VAL HG1 H 0.89 0.01 1 937 . 136 VAL HG2 H 0.89 0.01 1 938 . 137 THR N N 114.2 0.25 1 939 . 137 THR H H 8.62 0.01 1 940 . 137 THR CA C 63.8 0.20 1 941 . 137 THR HA H 5.08 0.01 1 942 . 137 THR CB C 69.8 0.20 1 943 . 137 THR HB H 4.40 0.01 1 944 . 137 THR HG2 H 1.26 0.01 1 945 . 138 ALA N N 124.8 0.25 1 946 . 138 ALA H H 8.87 0.01 1 947 . 138 ALA CA C 50.3 0.20 1 948 . 138 ALA HA H 4.57 0.01 1 949 . 138 ALA CB C 18.7 0.20 1 950 . 138 ALA HB H 1.18 0.01 1 951 . 139 THR N N 112.4 0.25 1 952 . 139 THR H H 6.43 0.01 1 953 . 139 THR HA H 4.76 0.01 1 954 . 139 THR HB H 4.11 0.01 1 955 . 139 THR HG2 H 1.21 0.01 1 956 . 140 SER CA C 58.6 0.20 1 957 . 140 SER CB C 63.7 0.20 1 958 . 141 ALA N N 124.5 0.25 1 959 . 141 ALA H H 8.32 0.01 1 960 . 141 ALA CA C 50.2 0.20 1 961 . 141 ALA HA H 3.90 0.01 1 962 . 141 ALA CB C 16.6 0.20 1 963 . 141 ALA HB H 0.98 0.01 1 964 . 142 ASN N N 118.3 0.25 1 965 . 142 ASN H H 7.65 0.01 1 966 . 142 ASN CA C 52.2 0.20 1 967 . 142 ASN HA H 4.69 0.01 1 968 . 142 ASN CB C 39.9 0.20 1 969 . 142 ASN HB2 H 2.65 0.01 2 970 . 142 ASN HB3 H 2.54 0.01 2 971 . 143 ILE N N 118.8 0.25 1 972 . 143 ILE H H 8.63 0.01 1 973 . 143 ILE CA C 60.0 0.20 1 974 . 143 ILE HA H 4.33 0.01 1 975 . 143 ILE CB C 38.0 0.20 1 976 . 143 ILE HB H 1.80 0.01 1 977 . 143 ILE HG2 H 0.98 0.01 1 978 . 143 ILE HG12 H 1.43 0.01 2 979 . 143 ILE HG13 H 1.25 0.01 2 980 . 143 ILE HD1 H 0.88 0.01 1 981 . 144 SER N N 119.3 0.25 1 982 . 144 SER H H 8.63 0.01 1 983 . 144 SER HA H 4.18 0.01 1 984 . 144 SER HB2 H 3.86 0.01 2 985 . 144 SER HB3 H 3.69 0.01 2 986 . 150 PRO CA C 63.0 0.20 1 987 . 150 PRO HA H 4.07 0.01 1 988 . 150 PRO CB C 32.6 0.20 1 989 . 150 PRO HB2 H 2.12 0.01 2 990 . 150 PRO HB3 H 1.95 0.01 2 991 . 151 ARG N N 116.0 0.25 1 992 . 151 ARG H H 7.89 0.01 1 993 . 151 ARG CA C 53.9 0.20 1 994 . 151 ARG HA H 5.04 0.01 1 995 . 151 ARG CB C 30.6 0.20 1 996 . 151 ARG HB2 H 1.67 0.01 2 997 . 151 ARG HB3 H 1.59 0.01 2 998 . 151 ARG HG2 H 1.81 0.01 1 999 . 151 ARG HG3 H 1.81 0.01 1 1000 . 152 LEU N N 128.0 0.25 1 1001 . 152 LEU H H 8.76 0.01 1 1002 . 152 LEU CA C 57.0 0.20 1 1003 . 152 LEU HA H 3.72 0.01 1 1004 . 152 LEU CB C 40.7 0.20 1 1005 . 152 LEU HB2 H 1.52 0.01 2 1006 . 152 LEU HB3 H 1.30 0.01 2 1007 . 152 LEU HD1 H 0.45 0.01 2 1008 . 152 LEU HD2 H 0.19 0.01 2 1009 . 153 GLU N N 115.6 0.25 1 1010 . 153 GLU H H 9.20 0.01 1 1011 . 153 GLU CA C 59.1 0.20 1 1012 . 153 GLU HA H 3.79 0.01 1 1013 . 153 GLU CB C 28.9 0.20 1 1014 . 153 GLU HB2 H 1.98 0.01 2 1015 . 153 GLU HB3 H 1.85 0.01 2 1016 . 153 GLU HG2 H 2.21 0.01 1 1017 . 153 GLU HG3 H 2.21 0.01 1 1018 . 154 GLU N N 115.3 0.25 1 1019 . 154 GLU H H 6.96 0.01 1 1020 . 154 GLU CA C 58.0 0.20 1 1021 . 154 GLU HA H 3.93 0.01 1 1022 . 154 GLU CB C 29.1 0.20 1 1023 . 154 GLU HB2 H 2.23 0.01 2 1024 . 154 GLU HB3 H 2.14 0.01 2 1025 . 155 ILE N N 119.7 0.25 1 1026 . 155 ILE H H 7.37 0.01 1 1027 . 155 ILE CA C 64.7 0.20 1 1028 . 155 ILE HA H 3.66 0.01 1 1029 . 155 ILE CB C 38.3 0.20 1 1030 . 155 ILE HB H 1.73 0.01 1 1031 . 155 ILE HG2 H 0.84 0.01 1 1032 . 155 ILE HG12 H 1.28 0.01 2 1033 . 155 ILE HD1 H 0.75 0.01 1 1034 . 156 VAL N N 112.1 0.25 1 1035 . 156 VAL H H 7.96 0.01 1 1036 . 156 VAL CA C 64.7 0.20 1 1037 . 156 VAL HA H 3.44 0.01 1 1038 . 156 VAL CB C 30.9 0.20 1 1039 . 156 VAL HB H 1.98 0.01 1 1040 . 156 VAL HG1 H 0.82 0.01 1 1041 . 156 VAL HG2 H 0.82 0.01 1 1042 . 157 ARG N N 116.5 0.25 1 1043 . 157 ARG H H 6.88 0.01 1 1044 . 157 ARG CA C 58.0 0.20 1 1045 . 157 ARG HA H 4.00 0.01 1 1046 . 157 ARG CB C 29.6 0.20 1 1047 . 157 ARG HB2 H 1.88 0.01 1 1048 . 157 ARG HB3 H 1.88 0.01 1 1049 . 157 ARG HG2 H 1.79 0.01 2 1050 . 157 ARG HG3 H 1.60 0.01 2 1051 . 158 ASP N N 115.8 0.25 1 1052 . 158 ASP H H 7.14 0.01 1 1053 . 158 ASP CA C 55.1 0.20 1 1054 . 158 ASP HA H 4.66 0.01 1 1055 . 158 ASP CB C 41.1 0.20 1 1056 . 158 ASP HB2 H 2.66 0.01 1 1057 . 158 ASP HB3 H 2.66 0.01 1 1058 . 159 LEU N N 121.5 0.25 1 1059 . 159 LEU H H 7.67 0.01 1 1060 . 159 LEU CA C 52.4 0.20 1 1061 . 159 LEU HA H 4.60 0.01 1 1062 . 159 LEU CB C 40.8 0.20 1 1063 . 159 LEU HB2 H 1.56 0.01 2 1064 . 159 LEU HB3 H 1.47 0.01 2 1065 . 159 LEU HD1 H 0.87 0.01 2 1066 . 159 LEU HD2 H 0.64 0.01 2 1067 . 160 ASP N N 115.8 0.25 1 1068 . 160 ASP H H 7.35 0.01 1 1069 . 160 ASP CA C 54.8 0.20 1 1070 . 160 ASP HA H 4.59 0.01 1 1071 . 160 ASP CB C 40.4 0.20 1 1072 . 160 ASP HB2 H 2.79 0.01 2 1073 . 160 ASP HB3 H 2.69 0.01 2 1074 . 161 ALA N N 119.0 0.25 1 1075 . 161 ALA H H 7.53 0.01 1 1076 . 161 ALA CA C 51.7 0.20 1 1077 . 161 ALA HA H 4.36 0.01 1 1078 . 161 ALA CB C 18.8 0.20 1 1079 . 161 ALA HB H 1.34 0.01 1 1080 . 162 VAL N N 111.4 0.25 1 1081 . 162 VAL H H 7.11 0.01 1 1082 . 162 VAL HA H 3.98 0.01 1 1083 . 162 VAL HB H 2.13 0.01 1 1084 . 162 VAL HG1 H 0.88 0.01 2 1085 . 162 VAL HG2 H 0.82 0.01 2 1086 . 163 ASP N N 118.3 0.25 1 1087 . 163 ASP H H 8.00 0.01 1 1088 . 163 ASP CA C 56.8 0.20 1 1089 . 163 ASP HA H 4.72 0.01 1 1090 . 163 ASP CB C 43.4 0.20 1 1091 . 163 ASP HB2 H 2.65 0.01 2 1092 . 163 ASP HB3 H 2.12 0.01 2 1093 . 164 LEU N N 119.5 0.25 1 1094 . 164 LEU H H 7.62 0.01 1 1095 . 164 LEU CA C 54.0 0.20 1 1096 . 164 LEU HA H 5.29 0.01 1 1097 . 164 LEU CB C 45.8 0.20 1 1098 . 164 LEU HB2 H 1.64 0.01 2 1099 . 164 LEU HB3 H 1.54 0.01 2 1100 . 164 LEU HG H 1.04 0.01 1 1101 . 164 LEU HD1 H 0.87 0.01 2 1102 . 164 LEU HD2 H 0.82 0.01 2 1103 . 165 VAL N N 125.7 0.25 1 1104 . 165 VAL H H 8.89 0.01 1 1105 . 165 VAL CA C 60.6 0.20 1 1106 . 165 VAL HA H 4.47 0.01 1 1107 . 165 VAL CB C 34.4 0.20 1 1108 . 165 VAL HB H 1.74 0.01 1 1109 . 165 VAL HG1 H 0.88 0.01 2 1110 . 165 VAL HG2 H 0.84 0.01 2 1111 . 166 LEU N N 128.4 0.25 1 1112 . 166 LEU H H 8.63 0.01 1 1113 . 166 LEU CA C 52.8 0.20 1 1114 . 166 LEU HA H 4.89 0.01 1 1115 . 166 LEU CB C 41.3 0.20 1 1116 . 166 LEU HB2 H 1.66 0.01 2 1117 . 166 LEU HB3 H 1.30 0.01 2 1118 . 166 LEU HG H 1.49 0.01 1 1119 . 166 LEU HD1 H 0.83 0.01 2 1120 . 166 LEU HD2 H 0.69 0.01 2 1121 . 167 ASP N N 120.2 0.25 1 1122 . 167 ASP H H 8.52 0.01 1 1123 . 167 ASP CA C 52.8 0.20 1 1124 . 167 ASP HA H 4.47 0.01 1 1125 . 167 ASP CB C 42.0 0.20 1 1126 . 167 ASP HB2 H 2.71 0.01 2 1127 . 167 ASP HB3 H 2.15 0.01 2 1128 . 168 ALA N N 130.0 0.25 1 1129 . 168 ALA H H 8.21 0.01 1 1130 . 168 ALA CA C 49.7 0.20 1 1131 . 168 ALA HA H 5.30 0.01 1 1132 . 168 ALA CB C 19.3 0.20 1 1133 . 168 ALA HB H 1.26 0.01 1 1134 . 169 GLY N N 108.5 0.25 1 1135 . 169 GLY H H 9.01 0.01 1 1136 . 169 GLY CA C 43.7 0.20 1 1137 . 169 GLY HA2 H 4.47 0.01 2 1138 . 169 GLY HA3 H 4.06 0.01 2 1139 . 170 ASP N N 119.9 0.25 1 1140 . 170 ASP H H 8.47 0.01 1 1141 . 170 ASP CA C 54.5 0.20 1 1142 . 170 ASP HA H 5.04 0.01 1 1143 . 170 ASP CB C 40.5 0.20 1 1144 . 170 ASP HB2 H 2.75 0.01 2 1145 . 170 ASP HB3 H 2.54 0.01 2 1146 . 171 CYS N N 118.3 0.25 1 1147 . 171 CYS H H 9.10 0.01 1 1148 . 171 CYS CA C 59.7 0.20 1 1149 . 171 CYS HA H 4.25 0.01 1 1150 . 171 CYS CB C 27.9 0.20 1 1151 . 171 CYS HB2 H 2.84 0.01 2 1152 . 172 LEU N N 123.6 0.25 1 1153 . 172 LEU H H 8.68 0.01 1 1154 . 172 LEU CA C 55.2 0.20 1 1155 . 172 LEU HA H 4.26 0.01 1 1156 . 172 LEU CB C 41.9 0.20 1 1157 . 172 LEU HB2 H 1.66 0.01 1 1158 . 172 LEU HB3 H 1.66 0.01 1 1159 . 172 LEU HD1 H 0.94 0.01 2 1160 . 172 LEU HD2 H 0.88 0.01 2 1161 . 173 ASP N N 118.3 0.25 1 1162 . 173 ASP H H 7.64 0.01 1 1163 . 173 ASP HA H 4.64 0.01 1 1164 . 173 ASP HB2 H 2.85 0.01 1 1165 . 173 ASP HB3 H 2.85 0.01 1 1166 . 178 THR N N 115.6 0.25 1 1167 . 178 THR H H 8.03 0.01 1 1168 . 178 THR CA C 61.8 0.20 1 1169 . 178 THR HA H 4.18 0.01 1 1170 . 178 THR CB C 69.2 0.20 1 1171 . 178 THR HB H 3.95 0.01 1 1172 . 178 THR HG2 H 1.45 0.01 1 1173 . 179 VAL N N 129.3 0.25 1 1174 . 179 VAL H H 9.04 0.01 1 1175 . 179 VAL CA C 61.0 0.20 1 1176 . 179 VAL HA H 5.16 0.01 1 1177 . 179 VAL CB C 31.9 0.20 1 1178 . 179 VAL HB H 1.93 0.01 1 1179 . 179 VAL HG1 H 0.91 0.01 2 1180 . 179 VAL HG2 H 0.84 0.01 2 1181 . 180 ILE N N 125.2 0.25 1 1182 . 180 ILE H H 9.07 0.01 1 1183 . 180 ILE CA C 58.6 0.20 1 1184 . 180 ILE HA H 4.90 0.01 1 1185 . 180 ILE CB C 41.4 0.20 1 1186 . 180 ILE HB H 1.66 0.01 1 1187 . 180 ILE HG2 H 0.83 0.01 1 1188 . 180 ILE HG12 H 1.05 0.01 2 1189 . 180 ILE HG13 H 0.69 0.01 2 1190 . 180 ILE HD1 H 0.91 0.01 1 1191 . 181 ASP N N 125.7 0.25 1 1192 . 181 ASP H H 9.51 0.01 1 1193 . 181 ASP CA C 53.2 0.20 1 1194 . 181 ASP HA H 4.89 0.01 1 1195 . 181 ASP CB C 41.4 0.20 1 1196 . 181 ASP HB2 H 3.08 0.01 2 1197 . 181 ASP HB3 H 2.36 0.01 2 1198 . 182 LEU N N 123.4 0.25 1 1199 . 182 LEU H H 8.72 0.01 1 1200 . 182 LEU CA C 53.4 0.20 1 1201 . 182 LEU HA H 4.89 0.01 1 1202 . 182 LEU CB C 40.8 0.20 1 1203 . 182 LEU HB2 H 2.02 0.01 2 1204 . 182 LEU HB3 H 1.73 0.01 2 1205 . 182 LEU HD1 H 0.91 0.01 2 1206 . 182 LEU HD2 H 0.81 0.01 2 1207 . 183 THR N N 113.3 0.25 1 1208 . 183 THR H H 9.43 0.01 1 1209 . 183 THR CA C 63.1 0.20 1 1210 . 183 THR HA H 4.39 0.01 1 1211 . 183 THR CB C 68.7 0.20 1 1212 . 183 THR HB H 4.64 0.01 1 1213 . 184 VAL N N 113.3 0.25 1 1214 . 184 VAL H H 6.86 0.01 1 1215 . 184 VAL CA C 58.4 0.20 1 1216 . 184 VAL HA H 4.45 0.01 1 1217 . 184 VAL CB C 34.5 0.20 1 1218 . 184 VAL HB H 2.00 0.01 1 1219 . 184 VAL HG1 H 0.86 0.01 2 1220 . 184 VAL HG2 H 0.78 0.01 2 1221 . 185 ASN N N 117.9 0.25 1 1222 . 185 ASN H H 7.94 0.01 1 1223 . 185 ASN HA H 4.74 0.01 1 1224 . 185 ASN HB2 H 2.78 0.01 2 1225 . 185 ASN HB3 H 2.54 0.01 2 1226 . 187 PRO CA C 62.6 0.20 1 1227 . 187 PRO HA H 4.64 0.01 1 1228 . 187 PRO CB C 32.2 0.20 1 1229 . 187 PRO HB2 H 2.20 0.01 2 1230 . 188 ARG N N 117.9 0.25 1 1231 . 188 ARG H H 7.53 0.01 1 1232 . 188 ARG CA C 53.4 0.20 1 1233 . 188 ARG HA H 4.76 0.01 1 1234 . 188 ARG CB C 33.3 0.20 1 1235 . 188 ARG HB2 H 1.76 0.01 2 1236 . 188 ARG HB3 H 1.67 0.01 2 1237 . 188 ARG HG2 H 1.52 0.01 1 1238 . 188 ARG HG3 H 1.52 0.01 1 1239 . 189 VAL N N 125.9 0.25 1 1240 . 189 VAL H H 9.04 0.01 1 1241 . 189 VAL CA C 62.7 0.20 1 1242 . 189 VAL HA H 4.15 0.01 1 1243 . 189 VAL CB C 31.1 0.20 1 1244 . 189 VAL HB H 2.12 0.01 1 1245 . 189 VAL HG1 H 0.95 0.01 2 1246 . 189 VAL HG2 H 0.84 0.01 2 1247 . 190 LEU N N 127.7 0.25 1 1248 . 190 LEU H H 8.60 0.01 1 1249 . 190 LEU HA H 4.45 0.01 1 1250 . 190 LEU HB2 H 1.58 0.01 2 1251 . 190 LEU HB3 H 1.42 0.01 2 1252 . 190 LEU HD1 H 0.92 0.01 2 1253 . 190 LEU HD2 H 0.84 0.01 2 1254 . 191 ARG N N 117.4 0.25 1 1255 . 191 ARG H H 7.52 0.01 1 1256 . 191 ARG CA C 56.0 0.20 1 1257 . 191 ARG HA H 4.56 0.01 1 1258 . 191 ARG CB C 33.3 0.20 1 1259 . 191 ARG HB2 H 1.74 0.01 2 1260 . 191 ARG HB3 H 1.68 0.01 2 1261 . 191 ARG HG2 H 1.52 0.01 1 1262 . 191 ARG HG3 H 1.52 0.01 1 1263 . 192 ARG N N 128.4 0.25 1 1264 . 192 ARG H H 9.06 0.01 1 1265 . 192 ARG CA C 56.6 0.20 1 1266 . 192 ARG CB C 29.6 0.20 1 1267 . 192 ARG HB2 H 1.76 0.01 1 1268 . 192 ARG HB3 H 1.76 0.01 1 1269 . 193 GLY N N 115.6 0.25 1 1270 . 193 GLY H H 8.02 0.01 1 1271 . 193 GLY CA C 44.1 0.20 1 1272 . 193 GLY HA2 H 4.28 0.01 2 1273 . 193 GLY HA3 H 3.40 0.01 2 1274 . 194 LYS N N 122.5 0.25 1 1275 . 194 LYS H H 8.79 0.01 1 1276 . 194 LYS CA C 57.3 0.20 1 1277 . 194 LYS HA H 3.96 0.01 1 1278 . 194 LYS CB C 33.1 0.20 1 1279 . 194 LYS HB2 H 1.58 0.01 2 1280 . 194 LYS HB3 H 1.49 0.01 2 1281 . 194 LYS HG2 H 1.36 0.01 2 1282 . 194 LYS HG3 H 1.28 0.01 2 1283 . 195 GLY N N 104.6 0.25 1 1284 . 195 GLY H H 7.40 0.01 1 1285 . 195 GLY HA2 H 4.08 0.01 2 1286 . 195 GLY HA3 H 2.56 0.01 2 1287 . 196 PRO CA C 62.3 0.20 1 1288 . 196 PRO CB C 32.6 0.20 1 1289 . 197 LEU N N 121.0 0.25 1 1290 . 197 LEU H H 8.85 0.01 1 1291 . 197 LEU CA C 55.9 0.20 1 1292 . 197 LEU CB C 41.9 0.20 1 1293 . 198 ASP N N 116.7 0.25 1 1294 . 198 ASP H H 7.08 0.01 1 1295 . 199 PRO CA C 64.7 0.20 1 1296 . 199 PRO CB C 31.3 0.20 1 1297 . 200 VAL N N 114.4 0.25 1 1298 . 200 VAL H H 7.84 0.01 1 1299 . 200 VAL CA C 63.6 0.20 1 1300 . 200 VAL HA H 3.86 0.01 1 1301 . 200 VAL CB C 31.1 0.20 1 1302 . 200 VAL HB H 2.19 0.01 1 1303 . 200 VAL HG1 H 0.90 0.01 1 1304 . 200 VAL HG2 H 0.90 0.01 1 1305 . 201 LEU N N 118.6 0.25 1 1306 . 201 LEU H H 7.70 0.01 1 1307 . 201 LEU CA C 55.3 0.20 1 1308 . 201 LEU HA H 4.23 0.01 1 1309 . 201 LEU CB C 42.0 0.20 1 1310 . 201 LEU HB2 H 1.72 0.01 2 1311 . 201 LEU HB3 H 1.54 0.01 2 1312 . 201 LEU HG H 1.35 0.01 1 1313 . 201 LEU HD1 H 0.91 0.01 2 1314 . 201 LEU HD2 H 0.84 0.01 2 1315 . 202 LEU N N 118.1 0.25 1 1316 . 202 LEU H H 7.67 0.01 1 1317 . 202 LEU CA C 54.7 0.20 1 1318 . 202 LEU HA H 4.25 0.01 1 1319 . 202 LEU CB C 41.5 0.20 1 1320 . 202 LEU HB2 H 1.69 0.01 2 1321 . 202 LEU HB3 H 1.60 0.01 2 1322 . 202 LEU HD1 H 0.89 0.01 2 1323 . 202 LEU HD2 H 0.83 0.01 2 1324 . 203 ARG N N 118.8 0.25 1 1325 . 203 ARG H H 7.78 0.01 1 1326 . 203 ARG CA C 56.0 0.20 1 1327 . 203 ARG HA H 4.30 0.01 1 1328 . 203 ARG CB C 30.2 0.20 1 1329 . 203 ARG HB2 H 1.92 0.01 2 1330 . 203 ARG HB3 H 1.82 0.01 2 1331 . 204 GLY N N 108.2 0.25 1 1332 . 204 GLY H H 8.25 0.01 1 1333 . 204 GLY CA C 44.8 0.20 1 1334 . 204 GLY HA2 H 4.64 0.01 2 1335 . 204 GLY HA3 H 3.98 0.01 2 1336 . 205 ALA N N 122.7 0.25 1 1337 . 205 ALA H H 8.05 0.01 1 1338 . 205 ALA CA C 52.1 0.20 1 1339 . 205 ALA HA H 4.12 0.01 1 1340 . 205 ALA CB C 19.0 0.20 1 1341 . 205 ALA HB H 1.60 0.01 1 1342 . 206 GLY N N 106.6 0.25 1 1343 . 206 GLY H H 8.27 0.01 1 1344 . 206 GLY CA C 44.8 0.20 1 1345 . 206 GLY HA2 H 4.64 0.01 2 1346 . 206 GLY HA3 H 3.98 0.01 2 1347 . 207 ASP N N 120.2 0.25 1 1348 . 207 ASP H H 8.14 0.01 1 1349 . 207 ASP CA C 54.0 0.20 1 1350 . 207 ASP HA H 4.46 0.01 1 1351 . 207 ASP CB C 40.8 0.20 1 1352 . 207 ASP HB2 H 2.74 0.01 2 1353 . 207 ASP HB3 H 2.60 0.01 2 1354 . 208 VAL N N 122.2 0.25 1 1355 . 208 VAL H H 7.53 0.01 1 1356 . 208 VAL HA H 4.68 0.01 1 1357 . 208 VAL HB H 2.10 0.01 1 1358 . 208 VAL HG1 H 0.88 0.01 1 1359 . 208 VAL HG2 H 0.88 0.01 1 stop_ save_