data_19637 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution Structure of the E.coli Outer Membrane Protein W ; _BMRB_accession_number 19637 _BMRB_flat_file_name bmr19637.str _Entry_type original _Submission_date 2013-11-26 _Accession_date 2013-11-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Horst R. . . 2 Stanczak P. . . 3 Wuthrich K . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 470 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-30 update BMRB 'update entry citation' 2014-08-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR polypeptide backbone conformation of the E. coli outer membrane protein W.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25017731 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Horst Reto . . 2 Stanczak Pawel . . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 22 _Journal_issue 8 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1204 _Page_last 1209 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Outer Membrane Protein X from E. coli' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Outer Membrane Protein X from E. coli' $Outer_Membrane_Protein_W 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_Outer_Membrane_Protein_W _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Outer_Membrane_Protein_W _Molecular_mass 21002.574 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; MHEAGEFFMRAGSATVRPTE GAGGTLGSLGGFSVTNNTQL GLTFTYMATDNIGVELLAAT PFRHKIGTRATGDIATVHHL PPTLMAQWYFGDASSKFRPY VGAGINYTTFFDNGFNDHGK EAGLSDLSLKDSWGAAGQVG VDYLINRDWLVNMSVWYMDI DTTANYKLGGAQQHDSVRLD PWVFMFSAGYRF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 HIS 3 3 GLU 4 4 ALA 5 5 GLY 6 6 GLU 7 7 PHE 8 8 PHE 9 9 MET 10 10 ARG 11 11 ALA 12 12 GLY 13 13 SER 14 14 ALA 15 15 THR 16 16 VAL 17 17 ARG 18 18 PRO 19 19 THR 20 20 GLU 21 21 GLY 22 22 ALA 23 23 GLY 24 24 GLY 25 25 THR 26 26 LEU 27 27 GLY 28 28 SER 29 29 LEU 30 30 GLY 31 31 GLY 32 32 PHE 33 33 SER 34 34 VAL 35 35 THR 36 36 ASN 37 37 ASN 38 38 THR 39 39 GLN 40 40 LEU 41 41 GLY 42 42 LEU 43 43 THR 44 44 PHE 45 45 THR 46 46 TYR 47 47 MET 48 48 ALA 49 49 THR 50 50 ASP 51 51 ASN 52 52 ILE 53 53 GLY 54 54 VAL 55 55 GLU 56 56 LEU 57 57 LEU 58 58 ALA 59 59 ALA 60 60 THR 61 61 PRO 62 62 PHE 63 63 ARG 64 64 HIS 65 65 LYS 66 66 ILE 67 67 GLY 68 68 THR 69 69 ARG 70 70 ALA 71 71 THR 72 72 GLY 73 73 ASP 74 74 ILE 75 75 ALA 76 76 THR 77 77 VAL 78 78 HIS 79 79 HIS 80 80 LEU 81 81 PRO 82 82 PRO 83 83 THR 84 84 LEU 85 85 MET 86 86 ALA 87 87 GLN 88 88 TRP 89 89 TYR 90 90 PHE 91 91 GLY 92 92 ASP 93 93 ALA 94 94 SER 95 95 SER 96 96 LYS 97 97 PHE 98 98 ARG 99 99 PRO 100 100 TYR 101 101 VAL 102 102 GLY 103 103 ALA 104 104 GLY 105 105 ILE 106 106 ASN 107 107 TYR 108 108 THR 109 109 THR 110 110 PHE 111 111 PHE 112 112 ASP 113 113 ASN 114 114 GLY 115 115 PHE 116 116 ASN 117 117 ASP 118 118 HIS 119 119 GLY 120 120 LYS 121 121 GLU 122 122 ALA 123 123 GLY 124 124 LEU 125 125 SER 126 126 ASP 127 127 LEU 128 128 SER 129 129 LEU 130 130 LYS 131 131 ASP 132 132 SER 133 133 TRP 134 134 GLY 135 135 ALA 136 136 ALA 137 137 GLY 138 138 GLN 139 139 VAL 140 140 GLY 141 141 VAL 142 142 ASP 143 143 TYR 144 144 LEU 145 145 ILE 146 146 ASN 147 147 ARG 148 148 ASP 149 149 TRP 150 150 LEU 151 151 VAL 152 152 ASN 153 153 MET 154 154 SER 155 155 VAL 156 156 TRP 157 157 TYR 158 158 MET 159 159 ASP 160 160 ILE 161 161 ASP 162 162 THR 163 163 THR 164 164 ALA 165 165 ASN 166 166 TYR 167 167 LYS 168 168 LEU 169 169 GLY 170 170 GLY 171 171 ALA 172 172 GLN 173 173 GLN 174 174 HIS 175 175 ASP 176 176 SER 177 177 VAL 178 178 ARG 179 179 LEU 180 180 ASP 181 181 PRO 182 182 TRP 183 183 VAL 184 184 PHE 185 185 MET 186 186 PHE 187 187 SER 188 188 ALA 189 189 GLY 190 190 TYR 191 191 ARG 192 192 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2F1T "Outer Membrane Protein Ompw" 99.48 197 100.00 100.00 3.58e-136 PDB 2F1V "Outer Membrane Protein Ompw" 99.48 197 100.00 100.00 3.58e-136 PDB 2MHL "Nmr Solution Structure Of The E.coli Outer Membrane Protein W" 100.00 192 100.00 100.00 1.32e-137 DBJ BAA14788 "outer membrane protein W [Escherichia coli str. K12 substr. W3110]" 99.48 212 100.00 100.00 2.16e-137 DBJ BAG66417 "outer membrane protein W [Escherichia coli O111:H-]" 99.48 212 100.00 100.00 2.16e-137 DBJ BAG76829 "conserved hypothetical protein [Escherichia coli SE11]" 99.48 212 100.00 100.00 2.16e-137 DBJ BAJ43052 "outer membrane protein W [Escherichia coli DH1]" 99.48 212 100.00 100.00 2.16e-137 DBJ BAL38320 "outer membrane protein W [Escherichia coli str. K-12 substr. MDS42]" 99.48 212 100.00 100.00 2.16e-137 EMBL CAA31922 "unnamed protein product [Escherichia coli K-12]" 99.48 212 100.00 100.00 2.16e-137 EMBL CAP75801 "Outer membrane protein W [Escherichia coli LF82]" 99.48 212 100.00 100.00 1.80e-137 EMBL CAQ31757 "OmpW, outer membrane protein, subunit of Colicin S4 Transport System [Escherichia coli BL21(DE3)]" 99.48 212 100.00 100.00 2.16e-137 EMBL CAQ98135 "outer membrane protein W [Escherichia coli IAI1]" 99.48 212 100.00 100.00 2.16e-137 EMBL CAR12762 "outer membrane protein W [Escherichia coli UMN026]" 99.48 212 100.00 100.00 2.03e-137 GB AAB60065 "yciD, partial [Escherichia coli]" 79.17 173 100.00 100.00 1.06e-105 GB AAB60073 "yciD, partial [Escherichia coli]" 79.17 173 100.00 100.00 1.06e-105 GB AAB60081 "yciD, partial [Escherichia coli]" 79.17 173 100.00 100.00 1.06e-105 GB AAB60089 "yciD, partial [Escherichia coli]" 79.17 173 100.00 100.00 1.06e-105 GB AAB60097 "yciD, partial [Escherichia coli]" 79.17 173 100.00 100.00 1.06e-105 REF NP_415772 "outer membrane protein W [Escherichia coli str. K-12 substr. MG1655]" 99.48 212 100.00 100.00 2.16e-137 REF NP_707165 "outer membrane protein W [Shigella flexneri 2a str. 301]" 99.48 212 100.00 100.00 2.16e-137 REF WP_000737220 "outer membrane protein W, partial [Escherichia coli]" 87.50 192 98.81 98.81 1.03e-116 REF WP_000737221 "outer membrane protein W, partial [Escherichia coli]" 87.50 193 98.81 98.81 8.09e-117 REF WP_000737222 "outer membrane protein W, partial [Escherichia coli]" 87.50 194 98.81 98.81 6.37e-117 SP P0A915 "RecName: Full=Outer membrane protein W; Flags: Precursor" 99.48 212 100.00 100.00 2.16e-137 SP P0A916 "RecName: Full=Outer membrane protein W; Flags: Precursor" 99.48 212 100.00 100.00 2.16e-137 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Outer_Membrane_Protein_W enterobacteria 562 Bacteria . Escherichia coli 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 $Outer_Membrane_Protein_W 'recombinant technology' . Escherichia coli . pET11a 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 $Outer_Membrane_Protein_W 1.2 mM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Chloride' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY/HNCA/HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY/HNCA/HNCACB _Sample_label $sample_1 save_ save_HNCO/HNCOCA/HNCACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO/HNCOCA/HNCACO _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 10 . mM pH 6.8 . pH pressure 1 . bar temperature 308 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 NOESY/HNCA/HNCACB 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 'Outer Membrane Protein X from E. coli' _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 HIS H H 8.422 0.01 1 2 2 2 HIS C C 171.081 0.1 1 3 2 2 HIS CA C 52.288 0.1 1 4 2 2 HIS CB C 23.296 0.1 1 5 2 2 HIS N N 119.214 0.1 1 6 3 3 GLU H H 6.642 0.01 1 7 3 3 GLU C C 174.619 0.1 1 8 3 3 GLU CA C 53.662 0.1 1 9 3 3 GLU CB C 29.415 0.1 1 10 3 3 GLU N N 113.500 0.1 1 11 4 4 ALA H H 8.701 0.01 1 12 4 4 ALA C C 178.439 0.1 1 13 4 4 ALA CA C 52.376 0.1 1 14 4 4 ALA CB C 17.443 0.1 1 15 4 4 ALA N N 120.680 0.1 1 16 5 5 GLY H H 9.294 0.01 1 17 5 5 GLY C C 173.309 0.1 1 18 5 5 GLY CA C 43.553 0.1 1 19 5 5 GLY N N 112.786 0.1 1 20 6 6 GLU H H 7.955 0.01 1 21 6 6 GLU C C 173.693 0.1 1 22 6 6 GLU CA C 56.018 0.1 1 23 6 6 GLU CB C 31.188 0.1 1 24 6 6 GLU N N 121.755 0.1 1 25 7 7 PHE H H 8.648 0.01 1 26 7 7 PHE C C 174.039 0.1 1 27 7 7 PHE CA C 54.333 0.1 1 28 7 7 PHE CB C 41.741 0.1 1 29 7 7 PHE N N 124.802 0.1 1 30 8 8 PHE H H 8.574 0.01 1 31 8 8 PHE C C 171.861 0.1 1 32 8 8 PHE CA C 54.549 0.1 1 33 8 8 PHE CB C 40.677 0.1 1 34 8 8 PHE N N 121.132 0.1 1 35 9 9 MET H H 8.541 0.01 1 36 9 9 MET C C 174.166 0.1 1 37 9 9 MET CA C 52.199 0.1 1 38 9 9 MET CB C 37.307 0.1 1 39 9 9 MET N N 120.391 0.1 1 40 10 10 ARG H H 8.357 0.01 1 41 10 10 ARG C C 175.289 0.1 1 42 10 10 ARG CA C 53.446 0.1 1 43 10 10 ARG CB C 31.366 0.1 1 44 10 10 ARG N N 117.892 0.1 1 45 11 11 ALA H H 9.154 0.01 1 46 11 11 ALA C C 176.057 0.1 1 47 11 11 ALA CA C 49.632 0.1 1 48 11 11 ALA CB C 21.518 0.1 1 49 11 11 ALA N N 119.664 0.1 1 50 12 12 GLY H H 8.655 0.01 1 51 12 12 GLY C C 172.068 0.1 1 52 12 12 GLY CA C 45.149 0.1 1 53 12 12 GLY N N 106.262 0.1 1 54 13 13 SER H H 8.644 0.01 1 55 13 13 SER C C 173.604 0.1 1 56 13 13 SER CA C 56.367 0.1 1 57 13 13 SER CB C 64.087 0.1 1 58 13 13 SER N N 116.893 0.1 1 59 14 14 ALA H H 9.120 0.01 1 60 14 14 ALA CA C 49.627 0.1 1 61 14 14 ALA CB C 18.330 0.1 1 62 14 14 ALA N N 125.234 0.1 1 63 15 15 THR H H 9.351 0.01 1 64 15 15 THR C C 175.230 0.1 1 65 15 15 THR CA C 60.895 0.1 1 66 15 15 THR CB C 70.029 0.1 1 67 15 15 THR N N 121.303 0.1 1 68 16 16 VAL H H 9.110 0.01 1 69 16 16 VAL C C 174.432 0.1 1 70 16 16 VAL CA C 60.806 0.1 1 71 16 16 VAL CB C 30.922 0.1 1 72 16 16 VAL N N 126.781 0.1 1 73 17 17 ARG H H 9.325 0.01 1 74 17 17 ARG C C 173.440 0.1 1 75 17 17 ARG CA C 51.407 0.1 1 76 17 17 ARG CB C 30.302 0.1 1 77 17 17 ARG N N 129.806 0.1 1 78 19 19 THR H H 8.021 0.01 1 79 19 19 THR CA C 61.022 0.1 1 80 19 19 THR CB C 69.142 0.1 1 81 19 19 THR N N 114.402 0.1 1 82 20 20 GLU H H 8.601 0.01 1 83 20 20 GLU C C 177.007 0.1 1 84 20 20 GLU CA C 55.480 0.1 1 85 20 20 GLU CB C 28.794 0.1 1 86 20 20 GLU N N 123.598 0.1 1 87 21 21 GLY H H 8.530 0.01 1 88 21 21 GLY C C 174.077 0.1 1 89 21 21 GLY CA C 44.661 0.1 1 90 21 21 GLY N N 110.237 0.1 1 91 22 22 ALA H H 8.279 0.01 1 92 22 22 ALA C C 178.158 0.1 1 93 22 22 ALA CA C 51.755 0.1 1 94 22 22 ALA CB C 17.778 0.1 1 95 22 22 ALA N N 123.476 0.1 1 96 23 23 GLY H H 8.452 0.01 1 97 23 23 GLY C C 174.727 0.1 1 98 23 23 GLY CA C 44.440 0.1 1 99 23 23 GLY N N 107.265 0.1 1 100 24 24 GLY H H 8.221 0.01 1 101 24 24 GLY C C 174.786 0.1 1 102 24 24 GLY CA C 44.440 0.1 1 103 24 24 GLY N N 108.306 0.1 1 104 25 25 THR H H 8.213 0.01 1 105 25 25 THR C C 175.170 0.1 1 106 25 25 THR CA C 61.599 0.1 1 107 25 25 THR CB C 68.521 0.1 1 108 25 25 THR N N 114.381 0.1 1 109 26 26 LEU H H 8.425 0.01 1 110 26 26 LEU C C 177.918 0.1 1 111 26 26 LEU CA C 54.682 0.1 1 112 26 26 LEU CB C 40.145 0.1 1 113 26 26 LEU N N 123.038 0.1 1 114 27 27 GLY H H 8.260 0.01 1 115 27 27 GLY C C 175.023 0.1 1 116 27 27 GLY CA C 44.839 0.1 1 117 27 27 GLY N N 108.786 0.1 1 118 28 28 SER H H 8.330 0.01 1 119 28 28 SER CA C 58.140 0.1 1 120 28 28 SER CB C 62.846 0.1 1 121 28 28 SER N N 116.175 0.1 1 122 29 29 LEU H H 8.157 0.01 1 123 29 29 LEU C C 177.512 0.1 1 124 29 29 LEU CA C 54.416 0.1 1 125 29 29 LEU CB C 40.322 0.1 1 126 29 29 LEU N N 122.260 0.1 1 127 30 30 GLY H H 8.144 0.01 1 128 30 30 GLY C C 174.225 0.1 1 129 30 30 GLY CA C 44.528 0.1 1 130 30 30 GLY N N 107.575 0.1 1 131 31 31 GLY H H 8.044 0.01 1 132 31 31 GLY C C 173.664 0.1 1 133 31 31 GLY CA C 44.218 0.1 1 134 31 31 GLY N N 107.996 0.1 1 135 32 32 PHE H H 8.181 0.01 1 136 32 32 PHE C C 175.495 0.1 1 137 32 32 PHE CA C 56.373 0.1 1 138 32 32 PHE CB C 39.258 0.1 1 139 32 32 PHE N N 119.248 0.1 1 140 33 33 SER H H 8.771 0.01 1 141 33 33 SER C C 173.368 0.1 1 142 33 33 SER CA C 55.746 0.1 1 143 33 33 SER CB C 64.265 0.1 1 144 33 33 SER N N 117.720 0.1 1 145 34 34 VAL H H 8.525 0.01 1 146 34 34 VAL CA C 59.426 0.1 1 147 34 34 VAL CB C 32.785 0.1 1 148 34 34 VAL N N 123.007 0.1 1 149 35 35 THR H H 8.147 0.01 1 150 35 35 THR CA C 61.200 0.1 1 151 35 35 THR CB C 69.851 0.1 1 152 35 35 THR N N 115.459 0.1 1 153 36 36 ASN H H 8.719 0.01 1 154 36 36 ASN CA C 51.407 0.1 1 155 36 36 ASN CB C 38.105 0.1 1 156 36 36 ASN N N 118.274 0.1 1 157 37 37 ASN H H 8.432 0.01 1 158 37 37 ASN CA C 54.865 0.1 1 159 37 37 ASN CB C 44.312 0.1 1 160 37 37 ASN N N 115.657 0.1 1 161 38 38 THR H H 8.095 0.01 1 162 38 38 THR CA C 61.288 0.1 1 163 38 38 THR CB C 69.142 0.1 1 164 38 38 THR N N 122.444 0.1 1 165 40 40 LEU H H 6.902 0.01 1 166 40 40 LEU CA C 54.327 0.1 1 167 40 40 LEU CB C 41.218 0.1 1 168 40 40 LEU N N 120.457 0.1 1 169 41 41 GLY H H 8.978 0.01 1 170 41 41 GLY C C 171.034 0.1 1 171 41 41 GLY CA C 42.843 0.1 1 172 41 41 GLY N N 111.223 0.1 1 173 42 42 LEU H H 8.679 0.01 1 174 42 42 LEU C C 175.350 0.1 1 175 42 42 LEU CA C 52.155 0.1 1 176 42 42 LEU CB C 45.377 0.1 1 177 42 42 LEU N N 122.123 0.1 1 178 43 43 THR H H 8.792 0.01 1 179 43 43 THR C C 173.516 0.1 1 180 43 43 THR CA C 58.057 0.1 1 181 43 43 THR CB C 70.029 0.1 1 182 43 43 THR N N 109.917 0.1 1 183 44 44 PHE H H 8.566 0.01 1 184 44 44 PHE C C 173.917 0.1 1 185 44 44 PHE CA C 55.480 0.1 1 186 44 44 PHE CB C 40.765 0.1 1 187 44 44 PHE N N 118.699 0.1 1 188 45 45 THR H H 7.903 0.01 1 189 45 45 THR C C 170.886 0.1 1 190 45 45 THR CA C 60.097 0.1 1 191 45 45 THR CB C 68.433 0.1 1 192 45 45 THR N N 118.229 0.1 1 193 46 46 TYR H H 8.941 0.01 1 194 46 46 TYR C C 174.254 0.1 1 195 46 46 TYR CA C 54.150 0.1 1 196 46 46 TYR CB C 42.273 0.1 1 197 46 46 TYR N N 124.450 0.1 1 198 47 47 MET H H 7.798 0.01 1 199 47 47 MET C C 175.082 0.1 1 200 47 47 MET CA C 50.425 0.1 1 201 47 47 MET CB C 26.222 0.1 1 202 47 47 MET N N 123.598 0.1 1 203 48 48 ALA H H 8.717 0.01 1 204 48 48 ALA C C 178.568 0.1 1 205 48 48 ALA CA C 53.305 0.1 1 206 48 48 ALA CB C 17.712 0.1 1 207 48 48 ALA N N 129.975 0.1 1 208 49 49 THR H H 8.072 0.01 1 209 49 49 THR C C 171.950 0.1 1 210 49 49 THR CA C 57.786 0.1 1 211 49 49 THR CB C 70.535 0.1 1 212 49 49 THR N N 106.011 0.1 1 213 50 50 ASP H H 8.390 0.01 1 214 50 50 ASP C C 175.318 0.1 1 215 50 50 ASP CA C 54.776 0.1 1 216 50 50 ASP CB C 39.790 0.1 1 217 50 50 ASP N N 114.062 0.1 1 218 51 51 ASN H H 7.887 0.01 1 219 51 51 ASN C C 171.684 0.1 1 220 51 51 ASN CA C 54.416 0.1 1 221 51 51 ASN CB C 40.233 0.1 1 222 51 51 ASN N N 111.850 0.1 1 223 52 52 ILE H H 7.707 0.01 1 224 52 52 ILE C C 175.495 0.1 1 225 52 52 ILE CA C 59.648 0.1 1 226 52 52 ILE CB C 37.484 0.1 1 227 52 52 ILE N N 118.929 0.1 1 228 53 53 GLY H H 8.678 0.01 1 229 53 53 GLY C C 171.536 0.1 1 230 53 53 GLY CA C 42.932 0.1 1 231 53 53 GLY N N 114.998 0.1 1 232 54 54 VAL H H 8.734 0.01 1 233 54 54 VAL C C 173.309 0.1 1 234 54 54 VAL CA C 59.648 0.1 1 235 54 54 VAL CB C 32.873 0.1 1 236 54 54 VAL N N 118.327 0.1 1 237 55 55 GLU H H 9.084 0.01 1 238 55 55 GLU C C 173.575 0.1 1 239 55 55 GLU CA C 53.269 0.1 1 240 55 55 GLU CB C 34.727 0.1 1 241 55 55 GLU N N 126.907 0.1 1 242 56 56 LEU H H 9.168 0.01 1 243 56 56 LEU C C 174.786 0.1 1 244 56 56 LEU CA C 51.933 0.1 1 245 56 56 LEU CB C 45.022 0.1 1 246 56 56 LEU N N 126.739 0.1 1 247 57 57 LEU H H 9.174 0.01 1 248 57 57 LEU C C 174.579 0.1 1 249 57 57 LEU CA C 53.091 0.1 1 250 57 57 LEU CB C 43.160 0.1 1 251 57 57 LEU N N 127.189 0.1 1 252 58 58 ALA H H 9.435 0.01 1 253 58 58 ALA C C 172.925 0.1 1 254 58 58 ALA CA C 48.924 0.1 1 255 58 58 ALA CB C 21.079 0.1 1 256 58 58 ALA N N 125.061 0.1 1 257 59 59 ALA H H 6.833 0.01 1 258 59 59 ALA C C 176.248 0.1 1 259 59 59 ALA CA C 50.071 0.1 1 260 59 59 ALA CB C 19.659 0.1 1 261 59 59 ALA N N 116.911 0.1 1 262 60 60 THR H H 7.718 0.01 1 263 60 60 THR C C 170.975 0.1 1 264 60 60 THR CA C 59.515 0.1 1 265 60 60 THR CB C 63.487 0.1 1 266 60 60 THR N N 105.771 0.1 1 267 62 62 PHE H H 8.251 0.01 1 268 62 62 PHE C C 174.934 0.1 1 269 62 62 PHE CA C 56.721 0.1 1 270 62 62 PHE CB C 39.613 0.1 1 271 62 62 PHE N N 122.473 0.1 1 272 63 63 ARG H H 7.378 0.01 1 273 63 63 ARG C C 174.423 0.1 1 274 63 63 ARG CA C 52.648 0.1 1 275 63 63 ARG CB C 31.898 0.1 1 276 63 63 ARG N N 118.016 0.1 1 277 64 64 HIS H H 8.588 0.01 1 278 64 64 HIS CA C 52.953 0.1 1 279 64 64 HIS N N 120.040 0.1 1 280 66 66 ILE H H 8.726 0.01 1 281 66 66 ILE C C 175.141 0.1 1 282 66 66 ILE CA C 57.963 0.1 1 283 66 66 ILE CB C 38.637 0.1 1 284 66 66 ILE N N 122.668 0.1 1 285 67 67 GLY H H 8.780 0.01 1 286 67 67 GLY C C 172.570 0.1 1 287 67 67 GLY CA C 44.129 0.1 1 288 67 67 GLY N N 114.948 0.1 1 289 68 68 THR H H 7.431 0.01 1 290 68 68 THR C C 175.574 0.1 1 291 68 68 THR CA C 58.672 0.1 1 292 68 68 THR CB C 71.270 0.1 1 293 68 68 THR N N 106.079 0.1 1 294 69 69 ARG H H 8.783 0.01 1 295 69 69 ARG C C 178.298 0.1 1 296 69 69 ARG CA C 58.229 0.1 1 297 69 69 ARG CB C 28.173 0.1 1 298 69 69 ARG N N 122.303 0.1 1 299 70 70 ALA H H 8.262 0.01 1 300 70 70 ALA C C 179.281 0.1 1 301 70 70 ALA CA C 53.269 0.1 1 302 70 70 ALA CB C 17.975 0.1 1 303 70 70 ALA N N 117.681 0.1 1 304 71 71 THR H H 7.473 0.01 1 305 71 71 THR C C 176.136 0.1 1 306 71 71 THR CA C 60.895 0.1 1 307 71 71 THR CB C 70.383 0.1 1 308 71 71 THR N N 105.486 0.1 1 309 72 72 GLY H H 8.194 0.01 1 310 72 72 GLY C C 175.052 0.1 1 311 72 72 GLY CA C 44.046 0.1 1 312 72 72 GLY N N 111.099 0.1 1 313 73 73 ASP H H 8.668 0.01 1 314 73 73 ASP C C 177.889 0.1 1 315 73 73 ASP CA C 55.042 0.1 1 316 73 73 ASP CB C 39.524 0.1 1 317 73 73 ASP N N 121.919 0.1 1 318 74 74 ILE H H 9.327 0.01 1 319 74 74 ILE C C 175.013 0.1 1 320 74 74 ILE CA C 59.914 0.1 1 321 74 74 ILE CB C 41.297 0.1 1 322 74 74 ILE N N 117.113 0.1 1 323 75 75 ALA H H 8.086 0.01 1 324 75 75 ALA CA C 50.425 0.1 1 325 75 75 ALA CB C 21.523 0.1 1 326 75 75 ALA N N 121.329 0.1 1 327 76 76 THR H H 8.539 0.01 1 328 76 76 THR C C 173.043 0.1 1 329 76 76 THR CA C 60.540 0.1 1 330 76 76 THR CB C 69.674 0.1 1 331 76 76 THR N N 116.168 0.1 1 332 77 77 VAL H H 8.578 0.01 1 333 77 77 VAL C C 174.964 0.1 1 334 77 77 VAL CA C 57.348 0.1 1 335 77 77 VAL CB C 34.026 0.1 1 336 77 77 VAL N N 117.996 0.1 1 337 78 78 HIS H H 7.822 0.01 1 338 78 78 HIS C C 173.634 0.1 1 339 78 78 HIS CA C 52.825 0.1 1 340 78 78 HIS CB C 29.947 0.1 1 341 78 78 HIS N N 116.541 0.1 1 342 79 79 HIS H H 7.912 0.01 1 343 79 79 HIS C C 173.841 0.1 1 344 79 79 HIS CA C 54.416 0.1 1 345 79 79 HIS CB C 34.026 0.1 1 346 79 79 HIS N N 113.176 0.1 1 347 80 80 LEU H H 8.205 0.01 1 348 80 80 LEU C C 177.821 0.1 1 349 80 80 LEU CA C 50.159 0.1 1 350 80 80 LEU CB C 46.263 0.1 1 351 80 80 LEU N N 118.153 0.1 1 352 83 83 THR H H 7.688 0.01 1 353 83 83 THR C C 171.362 0.1 1 354 83 83 THR CA C 60.540 0.1 1 355 83 83 THR CB C 72.068 0.1 1 356 83 83 THR N N 115.326 0.1 1 357 84 84 LEU H H 9.013 0.01 1 358 84 84 LEU C C 174.373 0.1 1 359 84 84 LEU CA C 52.421 0.1 1 360 84 84 LEU CB C 44.756 0.1 1 361 84 84 LEU N N 129.848 0.1 1 362 85 85 MET H H 9.823 0.01 1 363 85 85 MET C C 175.407 0.1 1 364 85 85 MET CA C 52.421 0.1 1 365 85 85 MET CB C 34.558 0.1 1 366 85 85 MET N N 121.374 0.1 1 367 86 86 ALA H H 9.080 0.01 1 368 86 86 ALA C C 176.205 0.1 1 369 86 86 ALA CA C 49.805 0.1 1 370 86 86 ALA CB C 18.951 0.1 1 371 86 86 ALA N N 123.689 0.1 1 372 87 87 GLN H H 9.061 0.01 1 373 87 87 GLN C C 175.495 0.1 1 374 87 87 GLN CA C 53.358 0.1 1 375 87 87 GLN CB C 34.292 0.1 1 376 87 87 GLN N N 116.548 0.1 1 377 88 88 TRP H H 8.893 0.01 1 378 88 88 TRP HE1 H 9.480 0.01 1 379 88 88 TRP C C 174.727 0.1 1 380 88 88 TRP CA C 54.954 0.1 1 381 88 88 TRP CB C 30.479 0.1 1 382 88 88 TRP N N 119.609 0.1 1 383 88 88 TRP NE1 N 128.286 0.1 1 384 89 89 TYR H H 8.815 0.01 1 385 89 89 TYR C C 176.382 0.1 1 386 89 89 TYR CA C 55.042 0.1 1 387 89 89 TYR N N 124.849 0.1 1 388 90 90 PHE H H 9.171 0.01 1 389 90 90 PHE C C 176.304 0.1 1 390 90 90 PHE CA C 57.821 0.1 1 391 90 90 PHE CB C 38.460 0.1 1 392 90 90 PHE N N 122.137 0.1 1 393 91 91 GLY H H 9.342 0.01 1 394 91 91 GLY C C 172.748 0.1 1 395 91 91 GLY CA C 44.331 0.1 1 396 91 91 GLY N N 108.961 0.1 1 397 92 92 ASP H H 8.612 0.01 1 398 92 92 ASP C C 175.968 0.1 1 399 92 92 ASP CA C 51.622 0.1 1 400 92 92 ASP CB C 41.563 0.1 1 401 92 92 ASP N N 119.869 0.1 1 402 93 93 ALA H H 8.673 0.01 1 403 93 93 ALA C C 178.748 0.1 1 404 93 93 ALA CA C 53.180 0.1 1 405 93 93 ALA CB C 16.911 0.1 1 406 93 93 ALA N N 117.665 0.1 1 407 94 94 SER H H 8.902 0.01 1 408 94 94 SER C C 175.348 0.1 1 409 94 94 SER CA C 58.185 0.1 1 410 94 94 SER CB C 62.757 0.1 1 411 94 94 SER N N 115.062 0.1 1 412 95 95 SER H H 7.922 0.01 1 413 95 95 SER CA C 58.451 0.1 1 414 95 95 SER CB C 62.580 0.1 1 415 95 95 SER N N 120.754 0.1 1 416 96 96 LYS H H 8.555 0.01 1 417 96 96 LYS CA C 54.599 0.1 1 418 96 96 LYS CB C 31.366 0.1 1 419 96 96 LYS N N 120.924 0.1 1 420 97 97 PHE H H 7.596 0.01 1 421 97 97 PHE CA C 54.688 0.1 1 422 97 97 PHE CB C 40.322 0.1 1 423 97 97 PHE N N 117.773 0.1 1 424 98 98 ARG H H 8.823 0.01 1 425 98 98 ARG C C 173.047 0.1 1 426 98 98 ARG CA C 52.471 0.1 1 427 98 98 ARG CB C 31.632 0.1 1 428 98 98 ARG N N 120.982 0.1 1 429 100 100 TYR H H 8.885 0.01 1 430 100 100 TYR C C 173.047 0.1 1 431 100 100 TYR CA C 54.954 0.1 1 432 100 100 TYR CB C 39.524 0.1 1 433 100 100 TYR N N 117.775 0.1 1 434 101 101 VAL H H 8.365 0.01 1 435 101 101 VAL C C 173.457 0.1 1 436 101 101 VAL CA C 57.105 0.1 1 437 101 101 VAL CB C 34.381 0.1 1 438 101 101 VAL N N 111.744 0.1 1 439 102 102 GLY H H 8.271 0.01 1 440 102 102 GLY C C 171.241 0.1 1 441 102 102 GLY CA C 44.972 0.1 1 442 102 102 GLY N N 108.300 0.1 1 443 103 103 ALA H H 9.048 0.01 1 444 103 103 ALA C C 175.614 0.1 1 445 103 103 ALA CA C 49.833 0.1 1 446 103 103 ALA CB C 21.718 0.1 1 447 103 103 ALA N N 120.836 0.1 1 448 104 104 GLY H H 8.661 0.01 1 449 104 104 GLY C C 171.832 0.1 1 450 104 104 GLY CA C 46.479 0.1 1 451 104 104 GLY N N 107.477 0.1 1 452 105 105 ILE H H 9.020 0.01 1 453 105 105 ILE C C 172.275 0.1 1 454 105 105 ILE CA C 57.348 0.1 1 455 105 105 ILE CB C 41.652 0.1 1 456 105 105 ILE N N 118.575 0.1 1 457 106 106 ASN H H 9.659 0.01 1 458 106 106 ASN C C 171.418 0.1 1 459 106 106 ASN CA C 51.584 0.1 1 460 106 106 ASN CB C 40.854 0.1 1 461 106 106 ASN N N 123.879 0.1 1 462 107 107 TYR H H 8.273 0.01 1 463 107 107 TYR C C 173.073 0.1 1 464 107 107 TYR CA C 54.504 0.1 1 465 107 107 TYR CB C 40.854 0.1 1 466 107 107 TYR N N 125.744 0.1 1 467 108 108 THR H H 8.446 0.01 1 468 108 108 THR C C 172.457 0.1 1 469 108 108 THR CA C 60.452 0.1 1 470 108 108 THR CB C 69.319 0.1 1 471 108 108 THR N N 119.337 0.1 1 472 109 109 THR H H 7.548 0.01 1 473 109 109 THR C C 171.625 0.1 1 474 109 109 THR CA C 56.810 0.1 1 475 109 109 THR N N 118.655 0.1 1 476 112 112 ASP H H 8.995 0.01 1 477 112 112 ASP C C 175.490 0.1 1 478 112 112 ASP CA C 53.884 0.1 1 479 112 112 ASP CB C 37.662 0.1 1 480 112 112 ASP N N 116.796 0.1 1 481 113 113 ASN H H 8.410 0.01 1 482 113 113 ASN C C 175.702 0.1 1 483 113 113 ASN CA C 50.736 0.1 1 484 113 113 ASN CB C 39.348 0.1 1 485 113 113 ASN N N 117.801 0.1 1 486 114 114 GLY H H 8.557 0.01 1 487 114 114 GLY C C 171.979 0.1 1 488 114 114 GLY CA C 44.794 0.1 1 489 114 114 GLY N N 107.744 0.1 1 490 115 115 PHE H H 8.607 0.01 1 491 115 115 PHE C C 176.192 0.1 1 492 115 115 PHE CA C 57.490 0.1 1 493 115 115 PHE CB C 39.081 0.1 1 494 115 115 PHE N N 119.554 0.1 1 495 116 116 ASN H H 8.240 0.01 1 496 116 116 ASN C C 175.407 0.1 1 497 116 116 ASN CA C 50.071 0.1 1 498 116 116 ASN CB C 37.041 0.1 1 499 116 116 ASN N N 120.356 0.1 1 500 117 117 ASP H H 8.460 0.01 1 501 117 117 ASP C C 178.298 0.1 1 502 117 117 ASP CA C 57.348 0.1 1 503 117 117 ASP CB C 38.548 0.1 1 504 117 117 ASP N N 117.610 0.1 1 505 118 118 HIS H H 8.185 0.01 1 506 118 118 HIS C C 177.821 0.1 1 507 118 118 HIS CA C 56.766 0.1 1 508 118 118 HIS CB C 26.727 0.1 1 509 118 118 HIS N N 118.493 0.1 1 510 119 119 GLY H H 8.788 0.01 1 511 119 119 GLY C C 175.082 0.1 1 512 119 119 GLY CA C 46.612 0.1 1 513 119 119 GLY N N 107.937 0.1 1 514 120 120 LYS H H 8.890 0.01 1 515 120 120 LYS C C 181.612 0.1 1 516 120 120 LYS CA C 58.717 0.1 1 517 120 120 LYS CB C 30.656 0.1 1 518 120 120 LYS N N 122.898 0.1 1 519 121 121 GLU H H 8.234 0.01 1 520 121 121 GLU C C 177.327 0.1 1 521 121 121 GLU CA C 57.653 0.1 1 522 121 121 GLU CB C 27.730 0.1 1 523 121 121 GLU N N 120.995 0.1 1 524 122 122 ALA H H 7.259 0.01 1 525 122 122 ALA C C 176.500 0.1 1 526 122 122 ALA CA C 51.042 0.1 1 527 122 122 ALA CB C 16.710 0.1 1 528 122 122 ALA N N 119.811 0.1 1 529 123 123 GLY H H 7.745 0.01 1 530 123 123 GLY C C 175.082 0.1 1 531 123 123 GLY CA C 44.264 0.1 1 532 123 123 GLY N N 103.863 0.1 1 533 124 124 LEU H H 7.461 0.01 1 534 124 124 LEU C C 176.293 0.1 1 535 124 124 LEU CA C 53.269 0.1 1 536 124 124 LEU CB C 38.016 0.1 1 537 124 124 LEU N N 123.722 0.1 1 538 125 125 SER H H 8.809 0.01 1 539 125 125 SER C C 173.250 0.1 1 540 125 125 SER CA C 57.259 0.1 1 541 125 125 SER CB C 65.684 0.1 1 542 125 125 SER N N 114.112 0.1 1 543 126 126 ASP H H 9.035 0.01 1 544 126 126 ASP C C 174.107 0.1 1 545 126 126 ASP CA C 54.593 0.1 1 546 126 126 ASP CB C 38.726 0.1 1 547 126 126 ASP N N 117.817 0.1 1 548 127 127 LEU H H 8.109 0.01 1 549 127 127 LEU C C 176.726 0.1 1 550 127 127 LEU CA C 54.371 0.1 1 551 127 127 LEU CB C 40.322 0.1 1 552 127 127 LEU N N 120.160 0.1 1 553 128 128 SER H H 9.499 0.01 1 554 128 128 SER C C 172.038 0.1 1 555 128 128 SER CA C 57.120 0.1 1 556 128 128 SER CB C 64.353 0.1 1 557 128 128 SER N N 120.909 0.1 1 558 129 129 LEU H H 8.182 0.01 1 559 129 129 LEU C C 176.411 0.1 1 560 129 129 LEU CA C 53.839 0.1 1 561 129 129 LEU CB C 42.539 0.1 1 562 129 129 LEU N N 122.260 0.1 1 563 130 130 LYS H H 7.536 0.01 1 564 130 130 LYS C C 176.754 0.1 1 565 130 130 LYS CA C 55.042 0.1 1 566 130 130 LYS CB C 32.518 0.1 1 567 130 130 LYS N N 122.490 0.1 1 568 131 131 ASP H H 8.782 0.01 1 569 131 131 ASP C C 175.998 0.1 1 570 131 131 ASP CA C 54.460 0.1 1 571 131 131 ASP CB C 40.233 0.1 1 572 131 131 ASP N N 123.217 0.1 1 573 132 132 SER H H 9.016 0.01 1 574 132 132 SER C C 171.920 0.1 1 575 132 132 SER CA C 55.790 0.1 1 576 132 132 SER CB C 64.087 0.1 1 577 132 132 SER N N 115.445 0.1 1 578 133 133 TRP H H 7.896 0.01 1 579 133 133 TRP C C 178.243 0.1 1 580 133 133 TRP CA C 55.309 0.1 1 581 133 133 TRP CB C 31.401 0.1 1 582 133 133 TRP N N 124.389 0.1 1 583 134 134 GLY H H 8.896 0.01 1 584 134 134 GLY C C 171.123 0.1 1 585 134 134 GLY CA C 44.750 0.1 1 586 134 134 GLY N N 107.658 0.1 1 587 135 135 ALA H H 8.946 0.01 1 588 135 135 ALA C C 174.875 0.1 1 589 135 135 ALA CA C 51.141 0.1 1 590 135 135 ALA CB C 19.306 0.1 1 591 135 135 ALA N N 122.244 0.1 1 592 136 136 ALA H H 8.111 0.01 1 593 136 136 ALA C C 175.434 0.1 1 594 136 136 ALA CA C 49.494 0.1 1 595 136 136 ALA CB C 23.207 0.1 1 596 136 136 ALA N N 118.579 0.1 1 597 137 137 GLY H H 8.933 0.01 1 598 137 137 GLY C C 171.300 0.1 1 599 137 137 GLY CA C 43.182 0.1 1 600 137 137 GLY N N 105.005 0.1 1 601 138 138 GLN H H 8.559 0.01 1 602 138 138 GLN CA C 53.263 0.1 1 603 138 138 GLN N N 115.695 0.1 1 604 140 140 GLY H H 7.936 0.01 1 605 140 140 GLY C C 171.329 0.1 1 606 140 140 GLY CA C 44.617 0.1 1 607 140 140 GLY N N 110.307 0.1 1 608 141 141 VAL H H 8.646 0.01 1 609 141 141 VAL C C 171.979 0.1 1 610 141 141 VAL CA C 59.914 0.1 1 611 141 141 VAL CB C 33.937 0.1 1 612 141 141 VAL N N 112.233 0.1 1 613 142 142 ASP H H 7.402 0.01 1 614 142 142 ASP C C 175.259 0.1 1 615 142 142 ASP CA C 51.711 0.1 1 616 142 142 ASP CB C 43.780 0.1 1 617 142 142 ASP N N 122.520 0.1 1 618 143 143 TYR H H 9.396 0.01 1 619 143 143 TYR C C 173.870 0.1 1 620 143 143 TYR CA C 54.948 0.1 1 621 143 143 TYR CB C 40.765 0.1 1 622 143 143 TYR N N 122.331 0.1 1 623 144 144 LEU H H 8.313 0.01 1 624 144 144 LEU C C 174.786 0.1 1 625 144 144 LEU CA C 55.524 0.1 1 626 144 144 LEU CB C 40.677 0.1 1 627 144 144 LEU N N 130.341 0.1 1 628 145 145 ILE H H 8.809 0.01 1 629 145 145 ILE C C 177.593 0.1 1 630 145 145 ILE CA C 60.097 0.1 1 631 145 145 ILE CB C 36.864 0.1 1 632 145 145 ILE N N 124.602 0.1 1 633 146 146 ASN H H 8.362 0.01 1 634 146 146 ASN CA C 51.318 0.1 1 635 146 146 ASN CB C 36.952 0.1 1 636 146 146 ASN N N 118.348 0.1 1 637 147 147 ARG H H 8.072 0.01 1 638 147 147 ARG C C 176.470 0.1 1 639 147 147 ARG CA C 58.584 0.1 1 640 147 147 ARG CB C 28.705 0.1 1 641 147 147 ARG N N 113.940 0.1 1 642 148 148 ASP H H 7.668 0.01 1 643 148 148 ASP C C 174.373 0.1 1 644 148 148 ASP CA C 54.327 0.1 1 645 148 148 ASP CB C 42.628 0.1 1 646 148 148 ASP N N 112.938 0.1 1 647 149 149 TRP H H 7.788 0.01 1 648 149 149 TRP HE1 H 10.492 0.01 1 649 149 149 TRP C C 175.574 0.1 1 650 149 149 TRP CA C 55.486 0.1 1 651 149 149 TRP CB C 31.720 0.1 1 652 149 149 TRP N N 116.148 0.1 1 653 149 149 TRP NE1 N 128.500 0.1 1 654 150 150 LEU H H 9.306 0.01 1 655 150 150 LEU C C 175.141 0.1 1 656 150 150 LEU CA C 52.155 0.1 1 657 150 150 LEU CB C 44.401 0.1 1 658 150 150 LEU N N 118.106 0.1 1 659 151 151 VAL H H 9.293 0.01 1 660 151 151 VAL C C 173.524 0.1 1 661 151 151 VAL CA C 59.299 0.1 1 662 151 151 VAL CB C 33.849 0.1 1 663 151 151 VAL N N 115.211 0.1 1 664 152 152 ASN H H 8.893 0.01 1 665 152 152 ASN CA C 51.755 0.1 1 666 152 152 ASN CB C 42.628 0.1 1 667 152 152 ASN N N 124.526 0.1 1 668 153 153 MET H H 8.003 0.01 1 669 153 153 MET C C 173.987 0.1 1 670 153 153 MET CA C 54.017 0.1 1 671 153 153 MET CB C 36.243 0.1 1 672 153 153 MET N N 118.533 0.1 1 673 154 154 SER H H 9.191 0.01 1 674 154 154 SER C C 172.120 0.1 1 675 154 154 SER CA C 56.550 0.1 1 676 154 154 SER CB C 64.619 0.1 1 677 154 154 SER N N 113.225 0.1 1 678 155 155 VAL H H 9.190 0.01 1 679 155 155 VAL C C 173.973 0.1 1 680 155 155 VAL CA C 59.382 0.1 1 681 155 155 VAL N N 119.543 0.1 1 682 156 156 TRP H H 9.883 0.01 1 683 156 156 TRP C C 175.237 0.1 1 684 156 156 TRP CA C 53.263 0.1 1 685 156 156 TRP CB C 33.228 0.1 1 686 156 156 TRP N N 124.596 0.1 1 687 160 160 ILE H H 7.948 0.01 1 688 160 160 ILE C C 173.545 0.1 1 689 160 160 ILE CA C 60.269 0.1 1 690 160 160 ILE N N 123.211 0.1 1 691 161 161 ASP H H 8.302 0.01 1 692 161 161 ASP CA C 52.421 0.1 1 693 161 161 ASP CB C 41.830 0.1 1 694 161 161 ASP N N 128.357 0.1 1 695 162 162 THR H H 8.788 0.01 1 696 162 162 THR CA C 57.259 0.1 1 697 162 162 THR CB C 68.167 0.1 1 698 162 162 THR N N 117.472 0.1 1 699 163 163 THR H H 8.429 0.01 1 700 163 163 THR CA C 60.629 0.1 1 701 163 163 THR CB C 68.278 0.1 1 702 163 163 THR N N 120.189 0.1 1 703 164 164 ALA H H 9.428 0.01 1 704 164 164 ALA C C 174.993 0.1 1 705 164 164 ALA CA C 49.190 0.1 1 706 164 164 ALA CB C 18.951 0.1 1 707 164 164 ALA N N 127.991 0.1 1 708 165 165 ASN H H 9.216 0.01 1 709 165 165 ASN C C 173.047 0.1 1 710 165 165 ASN CA C 51.141 0.1 1 711 165 165 ASN CB C 40.056 0.1 1 712 165 165 ASN N N 122.214 0.1 1 713 166 166 TYR H H 7.816 0.01 1 714 166 166 TYR C C 172.260 0.1 1 715 166 166 TYR CA C 55.397 0.1 1 716 166 166 TYR CB C 37.662 0.1 1 717 166 166 TYR N N 116.330 0.1 1 718 167 167 LYS H H 9.100 0.01 1 719 167 167 LYS C C 174.760 0.1 1 720 167 167 LYS CA C 53.751 0.1 1 721 167 167 LYS CB C 34.381 0.1 1 722 167 167 LYS N N 117.734 0.1 1 723 168 168 LEU H H 8.372 0.01 1 724 168 168 LEU C C 177.877 0.1 1 725 168 168 LEU CA C 52.509 0.1 1 726 168 168 LEU CB C 42.894 0.1 1 727 168 168 LEU N N 121.623 0.1 1 728 169 169 GLY H H 9.603 0.01 1 729 169 169 GLY C C 175.602 0.1 1 730 169 169 GLY CA C 46.257 0.1 1 731 169 169 GLY N N 119.264 0.1 1 732 170 170 GLY H H 8.381 0.01 1 733 170 170 GLY C C 172.570 0.1 1 734 170 170 GLY CA C 44.040 0.1 1 735 170 170 GLY N N 104.659 0.1 1 736 171 171 ALA H H 7.650 0.01 1 737 171 171 ALA C C 177.569 0.1 1 738 171 171 ALA CA C 49.893 0.1 1 739 171 171 ALA CB C 18.330 0.1 1 740 171 171 ALA N N 123.570 0.1 1 741 172 172 GLN H H 8.840 0.01 1 742 172 172 GLN C C 174.869 0.1 1 743 172 172 GLN CA C 56.018 0.1 1 744 172 172 GLN CB C 28.173 0.1 1 745 172 172 GLN N N 124.057 0.1 1 746 173 173 GLN H H 9.023 0.01 1 747 173 173 GLN C C 174.953 0.1 1 748 173 173 GLN CA C 52.155 0.1 1 749 173 173 GLN CB C 29.415 0.1 1 750 173 173 GLN N N 124.328 0.1 1 751 174 174 HIS H H 8.227 0.01 1 752 174 174 HIS C C 173.103 0.1 1 753 174 174 HIS CA C 53.446 0.1 1 754 174 174 HIS CB C 29.681 0.1 1 755 174 174 HIS N N 115.629 0.1 1 756 175 175 ASP H H 8.964 0.01 1 757 175 175 ASP C C 175.013 0.1 1 758 175 175 ASP CA C 52.731 0.1 1 759 175 175 ASP CB C 45.111 0.1 1 760 175 175 ASP N N 120.615 0.1 1 761 176 176 SER H H 9.137 0.01 1 762 176 176 SER C C 173.496 0.1 1 763 176 176 SER CA C 57.697 0.1 1 764 176 176 SER CB C 62.757 0.1 1 765 176 176 SER N N 118.175 0.1 1 766 177 177 VAL H H 8.492 0.01 1 767 177 177 VAL C C 173.398 0.1 1 768 177 177 VAL CA C 60.277 0.1 1 769 177 177 VAL CB C 32.518 0.1 1 770 177 177 VAL N N 123.737 0.1 1 771 178 178 ARG H H 8.513 0.01 1 772 178 178 ARG C C 175.097 0.1 1 773 178 178 ARG CA C 54.017 0.1 1 774 178 178 ARG CB C 29.149 0.1 1 775 178 178 ARG N N 127.628 0.1 1 776 182 182 TRP H H 7.491 0.01 1 777 182 182 TRP HE1 H 10.420 0.01 1 778 182 182 TRP C C 176.613 0.1 1 779 182 182 TRP CA C 55.228 0.1 1 780 182 182 TRP CB C 31.809 0.1 1 781 182 182 TRP N N 115.616 0.1 1 782 182 182 TRP NE1 N 129.156 0.1 1 783 183 183 VAL H H 9.372 0.01 1 784 183 183 VAL CA C 58.628 0.1 1 785 183 183 VAL CB C 32.696 0.1 1 786 183 183 VAL N N 121.618 0.1 1 787 185 185 MET H H 9.615 0.01 1 788 185 185 MET C C 172.186 0.1 1 789 185 185 MET CA C 53.091 0.1 1 790 185 185 MET CB C 33.405 0.1 1 791 185 185 MET N N 129.032 0.1 1 792 186 186 PHE H H 7.976 0.01 1 793 186 186 PHE C C 174.816 0.1 1 794 186 186 PHE CA C 55.131 0.1 1 795 186 186 PHE CB C 40.588 0.1 1 796 186 186 PHE N N 124.085 0.1 1 797 187 187 SER H H 9.355 0.01 1 798 187 187 SER C C 171.305 0.1 1 799 187 187 SER CA C 57.348 0.1 1 800 187 187 SER CB C 66.127 0.1 1 801 187 187 SER N N 116.369 0.1 1 802 188 188 ALA H H 8.300 0.01 1 803 188 188 ALA C C 175.996 0.1 1 804 188 188 ALA CA C 49.085 0.1 1 805 188 188 ALA CB C 21.079 0.1 1 806 188 188 ALA N N 119.248 0.1 1 807 189 189 GLY H H 9.235 0.01 1 808 189 189 GLY C C 170.650 0.1 1 809 189 189 GLY CA C 44.046 0.1 1 810 189 189 GLY N N 104.914 0.1 1 811 190 190 TYR H H 8.865 0.01 1 812 190 190 TYR C C 173.608 0.1 1 813 190 190 TYR CA C 55.131 0.1 1 814 190 190 TYR CB C 42.362 0.1 1 815 190 190 TYR N N 121.149 0.1 1 816 191 191 ARG H H 7.469 0.01 1 817 191 191 ARG CA C 53.529 0.1 1 818 191 191 ARG CB C 29.947 0.1 1 819 191 191 ARG N N 125.697 0.1 1 820 192 192 PHE H H 7.915 0.01 1 821 192 192 PHE C C 180.696 0.1 1 822 192 192 PHE CA C 59.388 0.1 1 823 192 192 PHE CB C 38.815 0.1 1 824 192 192 PHE N N 126.625 0.1 1 stop_ save_