data_17842 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of outer membrane protein H (OprH) from P. aeruginosa in DHPC micelles. ; _BMRB_accession_number 17842 _BMRB_flat_file_name bmr17842.str _Entry_type original _Submission_date 2011-08-08 _Accession_date 2011-08-08 _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 Edrington Thomas C. V 2 Tamm Lukas K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 156 "13C chemical shifts" 475 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-15 update BMRB 'update entry citation' 2011-08-25 original author 'original re;ease' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the interaction of lipopolysaccharide with outer membrane protein H (OprH) from Pseudomonas aeruginosa.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21865172 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edrington Thomas C. . 2 Kintz Erica . . 3 Goldberg Joanna B. . 4 Tamm Lukas K. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 39211 _Page_last 39223 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name OprH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OprH $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 19620.729 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; ADNFVGLTWGETSNNIQKSK SLNRNLNSPNLDKVIDNTGT WGIRAGQQFEQGRYYATYEN ISDTSSGNKLRQQNLLGSYD AFLPIGDNNTKLFGGATLGL VKLEQDGKGFKRDSDVGYAA GLQAGILQELSKNASIEGGY RYLRTNASTEMTPHGGNKLG SLDLHSSSQFYLGANYKFL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 ASP 3 4 ASN 4 5 PHE 5 6 VAL 6 7 GLY 7 8 LEU 8 9 THR 9 10 TRP 10 11 GLY 11 12 GLU 12 13 THR 13 14 SER 14 15 ASN 15 16 ASN 16 17 ILE 17 18 GLN 18 19 LYS 19 20 SER 20 21 LYS 21 22 SER 22 23 LEU 23 24 ASN 24 25 ARG 25 26 ASN 26 27 LEU 27 28 ASN 28 29 SER 29 30 PRO 30 31 ASN 31 32 LEU 32 33 ASP 33 34 LYS 34 35 VAL 35 36 ILE 36 37 ASP 37 38 ASN 38 39 THR 39 40 GLY 40 41 THR 41 42 TRP 42 43 GLY 43 44 ILE 44 45 ARG 45 46 ALA 46 47 GLY 47 48 GLN 48 49 GLN 49 50 PHE 50 51 GLU 51 52 GLN 52 53 GLY 53 54 ARG 54 55 TYR 55 56 TYR 56 57 ALA 57 58 THR 58 59 TYR 59 60 GLU 60 61 ASN 61 62 ILE 62 63 SER 63 64 ASP 64 65 THR 65 66 SER 66 67 SER 67 68 GLY 68 69 ASN 69 70 LYS 70 71 LEU 71 72 ARG 72 73 GLN 73 74 GLN 74 75 ASN 75 76 LEU 76 77 LEU 77 78 GLY 78 79 SER 79 80 TYR 80 81 ASP 81 82 ALA 82 83 PHE 83 84 LEU 84 85 PRO 85 86 ILE 86 87 GLY 87 88 ASP 88 89 ASN 89 90 ASN 90 91 THR 91 92 LYS 92 93 LEU 93 94 PHE 94 95 GLY 95 96 GLY 96 97 ALA 97 98 THR 98 99 LEU 99 100 GLY 100 101 LEU 101 102 VAL 102 103 LYS 103 104 LEU 104 105 GLU 105 106 GLN 106 107 ASP 107 108 GLY 108 109 LYS 109 110 GLY 110 111 PHE 111 112 LYS 112 113 ARG 113 114 ASP 114 115 SER 115 116 ASP 116 117 VAL 117 118 GLY 118 119 TYR 119 120 ALA 120 121 ALA 121 122 GLY 122 123 LEU 123 124 GLN 124 125 ALA 125 126 GLY 126 127 ILE 127 128 LEU 128 129 GLN 129 130 GLU 130 131 LEU 131 132 SER 132 133 LYS 133 134 ASN 134 135 ALA 135 136 SER 136 137 ILE 137 138 GLU 138 139 GLY 139 140 GLY 140 141 TYR 141 142 ARG 142 143 TYR 143 144 LEU 144 145 ARG 145 146 THR 146 147 ASN 147 148 ALA 148 149 SER 149 150 THR 150 151 GLU 151 152 MET 152 153 THR 153 154 PRO 154 155 HIS 155 156 GLY 156 157 GLY 157 158 ASN 158 159 LYS 159 160 LEU 160 161 GLY 161 162 SER 162 163 LEU 163 164 ASP 164 165 LEU 165 166 HIS 166 167 SER 167 168 SER 168 169 SER 169 170 GLN 170 171 PHE 171 172 TYR 172 173 LEU 173 174 GLY 174 175 ALA 175 176 ASN 176 177 TYR 177 178 LYS 178 179 PHE 179 180 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 2LHF "Solution Structure Of Outer Membrane Protein H (Oprh) From P. Aeruginosa In Dhpc Micelles" 100.00 179 100.00 100.00 2.00e-124 DBJ BAK88910 "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa NCGM2.S1]" 99.44 200 100.00 100.00 2.71e-124 DBJ BAP20537 "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa]" 99.44 200 100.00 100.00 2.71e-124 DBJ BAP52118 "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa]" 99.44 200 100.00 100.00 2.71e-124 DBJ BAQ41215 "PhoP/Q and low Mg2+ inducible outer membrane protein [Pseudomonas aeruginosa]" 99.44 200 100.00 100.00 2.71e-124 DBJ BAR69069 "outer membrane protein H1 [Pseudomonas aeruginosa]" 99.44 200 100.00 100.00 2.71e-124 EMBL CAW28898 "PhoP/Q and low Mg2+ inducible outer membrane protein H1 precursor [Pseudomonas aeruginosa LESB58]" 99.44 200 100.00 100.00 2.71e-124 EMBL CCQ86522 "outer membrane protein H1 precursor [Pseudomonas aeruginosa 18A]" 99.44 200 100.00 100.00 2.71e-124 EMBL CDH72267 "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa MH38]" 99.44 200 100.00 100.00 2.71e-124 EMBL CDH78538 "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa MH27]" 99.44 200 100.00 100.00 2.71e-124 EMBL CDI89324 "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa PA38182]" 99.44 200 100.00 100.00 2.71e-124 GB AAA25911 "outer membrane protein H1 [Pseudomonas aeruginosa PAO1]" 99.44 200 100.00 100.00 2.71e-124 GB AAG04567 "PhoP/Q and low Mg2+ inducible outer membrane protein H1 precursor [Pseudomonas aeruginosa PAO1]" 99.44 200 100.00 100.00 2.71e-124 GB AAT50763 "PA1178, partial [synthetic construct]" 99.44 201 99.44 99.44 1.86e-123 GB ABJ10346 "PhoP/Q and low Mg2+ inducible outer membrane prote [Pseudomonas aeruginosa UCBPP-PA14]" 99.44 200 100.00 100.00 2.71e-124 GB ABR84660 "outer membrane protein H1 precursor [Pseudomonas aeruginosa PA7]" 99.44 200 98.88 100.00 5.48e-123 REF NP_249869 "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa PAO1]" 99.44 200 100.00 100.00 2.71e-124 REF WP_003082431 "MULTISPECIES: PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas]" 99.44 200 100.00 100.00 2.71e-124 REF WP_012076667 "membrane protein [Pseudomonas aeruginosa]" 99.44 200 98.88 100.00 5.48e-123 REF WP_024915192 "PhoP/Q and low Mg2+ inducible outer membrane protein H1 [Pseudomonas aeruginosa]" 99.44 200 99.44 100.00 5.00e-124 REF WP_031670686 "membrane protein [Pseudomonas aeruginosa]" 99.44 200 99.44 99.44 7.44e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas Aeruginosa 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 $entity 'recombinant technology' . Escherichia coli . pET30a+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '150 mM DHPC' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 25 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-TROSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-TROSY-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-TROSY-NOESY' _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 pH 6.1 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC-TROSY' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CB' '3D HN(COCA)CB' '3D HNCO' '3D H(CA)CO' 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 OprH _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 1 ALA H H 7.907 0.000 1 2 2 1 ALA C C 176.608 0.005 1 3 2 1 ALA CA C 50.959 0.008 1 4 2 1 ALA CB C 20.392 0.029 1 5 2 1 ALA N N 129.032 0.160 1 6 3 2 ASP H H 8.443 0.001 1 7 3 2 ASP C C 175.809 0.090 1 8 3 2 ASP CA C 53.303 0.017 1 9 3 2 ASP CB C 42.915 0.015 1 10 3 2 ASP N N 119.767 0.139 1 11 4 3 ASN H H 8.923 0.001 1 12 4 3 ASN C C 174.736 0.016 1 13 4 3 ASN CA C 52.911 0.000 1 14 4 3 ASN CB C 39.160 0.033 1 15 4 3 ASN N N 123.667 0.131 1 16 5 4 PHE H H 8.910 0.001 1 17 5 4 PHE C C 172.331 0.002 1 18 5 4 PHE CA C 56.052 0.000 1 19 5 4 PHE CB C 42.863 0.000 1 20 5 4 PHE N N 118.447 0.134 1 21 6 5 VAL H H 8.903 0.001 1 22 6 5 VAL C C 174.144 0.006 1 23 6 5 VAL CA C 58.529 0.003 1 24 6 5 VAL CB C 35.818 0.016 1 25 6 5 VAL N N 116.195 0.133 1 26 7 6 GLY H H 8.670 0.001 1 27 7 6 GLY C C 170.825 0.002 1 28 7 6 GLY CA C 46.218 0.005 1 29 7 6 GLY N N 110.150 0.143 1 30 8 7 LEU H H 8.562 0.001 1 31 8 7 LEU C C 175.596 0.031 1 32 8 7 LEU CA C 52.933 0.006 1 33 8 7 LEU CB C 47.663 0.043 1 34 8 7 LEU N N 120.059 0.148 1 35 9 8 THR H H 9.114 0.002 1 36 9 8 THR C C 172.942 0.004 1 37 9 8 THR CA C 59.539 0.003 1 38 9 8 THR CB C 70.735 0.006 1 39 9 8 THR N N 112.180 0.138 1 40 10 9 TRP H H 9.022 0.001 1 41 10 9 TRP C C 174.622 0.016 1 42 10 9 TRP CA C 56.418 0.019 1 43 10 9 TRP CB C 31.877 0.009 1 44 10 9 TRP N N 121.476 0.139 1 45 11 10 GLY H H 7.798 0.002 1 46 11 10 GLY C C 171.655 0.000 1 47 11 10 GLY CA C 44.940 0.017 1 48 11 10 GLY N N 112.750 0.155 1 49 12 11 GLU H H 8.223 0.001 1 50 12 11 GLU C C 175.810 0.007 1 51 12 11 GLU CA C 53.743 0.039 1 52 12 11 GLU CB C 31.361 0.032 1 53 12 11 GLU N N 117.292 0.164 1 54 13 12 THR H H 8.722 0.002 1 55 13 12 THR C C 174.233 0.031 1 56 13 12 THR CA C 61.872 0.004 1 57 13 12 THR CB C 69.374 0.015 1 58 13 12 THR N N 123.477 0.138 1 59 14 13 SER H H 9.225 0.003 1 60 14 13 SER C C 173.577 0.000 1 61 14 13 SER CA C 56.934 0.000 1 62 14 13 SER CB C 64.249 0.000 1 63 14 13 SER N N 122.220 0.144 1 64 15 14 ASN H H 8.745 0.002 1 65 15 14 ASN C C 174.673 0.000 1 66 15 14 ASN CA C 51.888 0.020 1 67 15 14 ASN CB C 39.777 0.000 1 68 15 14 ASN N N 125.159 0.139 1 69 16 15 ASN H H 8.494 0.002 1 70 16 15 ASN C C 175.886 0.000 1 71 16 15 ASN CA C 52.780 0.000 1 72 16 15 ASN CB C 38.595 0.000 1 73 16 15 ASN N N 120.330 0.130 1 74 21 20 LYS C C 176.705 0.000 1 75 21 20 LYS CA C 56.683 0.000 1 76 22 21 SER H H 8.053 0.003 1 77 22 21 SER C C 174.564 0.000 1 78 22 21 SER CA C 58.149 0.000 1 79 22 21 SER CB C 63.308 0.000 1 80 22 21 SER N N 115.966 0.171 1 81 23 22 LEU H H 8.006 0.002 1 82 23 22 LEU C C 176.968 0.004 1 83 23 22 LEU CA C 55.269 0.006 1 84 23 22 LEU CB C 42.334 0.016 1 85 23 22 LEU N N 123.751 0.119 1 86 24 23 ASN H H 8.136 0.001 1 87 24 23 ASN C C 175.119 0.021 1 88 24 23 ASN CA C 52.993 0.003 1 89 24 23 ASN CB C 38.255 0.022 1 90 24 23 ASN N N 118.937 0.135 1 91 25 24 ARG H H 8.097 0.003 1 92 25 24 ARG C C 175.849 0.021 1 93 25 24 ARG CA C 56.368 0.057 1 94 25 24 ARG CB C 30.366 0.209 1 95 25 24 ARG N N 121.500 0.136 1 96 26 25 ASN H H 8.278 0.003 1 97 26 25 ASN C C 175.122 0.000 1 98 26 25 ASN CA C 53.061 0.021 1 99 26 25 ASN CB C 38.291 0.014 1 100 26 25 ASN N N 119.196 0.133 1 101 27 26 LEU H H 7.992 0.001 1 102 27 26 LEU C C 176.903 0.043 1 103 27 26 LEU CA C 55.326 0.004 1 104 27 26 LEU CB C 42.186 0.032 1 105 27 26 LEU N N 122.352 0.165 1 106 28 27 ASN H H 8.216 0.001 1 107 28 27 ASN C C 174.754 0.007 1 108 28 27 ASN CA C 52.960 0.005 1 109 28 27 ASN CB C 38.419 0.017 1 110 28 27 ASN N N 118.444 0.131 1 111 29 28 SER H H 7.833 0.001 1 112 29 28 SER C C 172.778 0.000 1 113 29 28 SER CA C 55.982 0.000 1 114 29 28 SER CB C 63.179 0.000 1 115 29 28 SER N N 116.471 0.137 1 116 30 29 PRO C C 176.535 0.000 1 117 30 29 PRO CA C 63.458 0.000 1 118 30 29 PRO CB C 31.672 0.000 1 119 31 30 ASN H H 8.231 0.001 1 120 31 30 ASN C C 175.075 0.003 1 121 31 30 ASN CA C 53.051 0.006 1 122 31 30 ASN CB C 38.277 0.004 1 123 31 30 ASN N N 118.189 0.146 1 124 32 31 LEU H H 8.011 0.000 1 125 32 31 LEU C C 176.800 0.006 1 126 32 31 LEU CA C 55.107 0.014 1 127 32 31 LEU CB C 42.291 0.081 1 128 32 31 LEU N N 122.838 0.135 1 129 33 32 ASP H H 8.151 0.001 1 130 33 32 ASP C C 175.863 0.008 1 131 33 32 ASP CA C 54.331 0.010 1 132 33 32 ASP CB C 40.758 0.018 1 133 33 32 ASP N N 120.740 0.137 1 134 34 33 LYS H H 7.933 0.002 1 135 34 33 LYS C C 175.912 0.025 1 136 34 33 LYS CA C 55.865 0.006 1 137 34 33 LYS CB C 32.738 0.049 1 138 34 33 LYS N N 120.746 0.132 1 139 35 34 VAL H H 7.995 0.000 1 140 35 34 VAL C C 175.691 0.020 1 141 35 34 VAL CA C 62.186 0.007 1 142 35 34 VAL CB C 32.591 0.009 1 143 35 34 VAL N N 121.590 0.131 1 144 36 35 ILE H H 8.034 0.001 1 145 36 35 ILE C C 175.266 0.010 1 146 36 35 ILE CA C 60.495 0.003 1 147 36 35 ILE CB C 38.489 0.056 1 148 36 35 ILE N N 124.025 0.143 1 149 37 36 ASP H H 8.190 0.001 1 150 37 36 ASP C C 175.014 0.005 1 151 37 36 ASP CA C 53.719 0.011 1 152 37 36 ASP CB C 41.755 0.019 1 153 37 36 ASP N N 125.860 0.128 1 154 38 37 ASN H H 8.334 0.001 1 155 38 37 ASN C C 174.821 0.010 1 156 38 37 ASN CA C 53.157 0.017 1 157 38 37 ASN CB C 38.663 0.092 1 158 38 37 ASN N N 120.770 0.130 1 159 39 38 THR H H 8.508 0.001 1 160 39 38 THR C C 175.226 0.007 1 161 39 38 THR CA C 62.215 0.006 1 162 39 38 THR CB C 69.618 0.087 1 163 39 38 THR N N 115.976 0.136 1 164 40 39 GLY H H 8.819 0.002 1 165 40 39 GLY C C 172.862 0.027 1 166 40 39 GLY CA C 46.168 0.016 1 167 40 39 GLY N N 115.818 0.117 1 168 41 40 THR H H 8.117 0.000 1 169 41 40 THR C C 172.914 0.010 1 170 41 40 THR CA C 61.321 0.011 1 171 41 40 THR CB C 71.499 0.046 1 172 41 40 THR N N 119.787 0.130 1 173 42 41 TRP H H 8.178 0.003 1 174 42 41 TRP C C 174.627 0.005 1 175 42 41 TRP CA C 55.122 0.001 1 176 42 41 TRP CB C 31.905 0.021 1 177 42 41 TRP N N 128.090 0.135 1 178 43 42 GLY H H 8.892 0.003 1 179 43 42 GLY C C 172.317 0.007 1 180 43 42 GLY CA C 44.176 0.005 1 181 43 42 GLY N N 109.883 0.142 1 182 44 43 ILE H H 8.879 0.002 1 183 44 43 ILE C C 173.071 0.003 1 184 44 43 ILE CA C 58.606 0.007 1 185 44 43 ILE CB C 42.130 0.034 1 186 44 43 ILE N N 118.005 0.136 1 187 45 44 ARG H H 8.708 0.002 1 188 45 44 ARG C C 174.942 0.021 1 189 45 44 ARG CA C 52.889 0.017 1 190 45 44 ARG CB C 33.952 0.031 1 191 45 44 ARG N N 120.855 0.135 1 192 46 45 ALA H H 8.419 0.001 1 193 46 45 ALA C C 175.693 0.002 1 194 46 45 ALA CA C 50.620 0.007 1 195 46 45 ALA CB C 21.782 0.020 1 196 46 45 ALA N N 119.127 0.130 1 197 47 46 GLY H H 7.819 0.001 1 198 47 46 GLY C C 171.353 0.002 1 199 47 46 GLY CA C 45.630 0.000 1 200 47 46 GLY N N 107.350 0.138 1 201 48 47 GLN H H 8.483 0.001 1 202 48 47 GLN C C 173.671 0.012 1 203 48 47 GLN CA C 54.365 0.000 1 204 48 47 GLN CB C 32.912 0.047 1 205 48 47 GLN N N 118.061 0.169 1 206 49 48 GLN H H 9.319 0.001 1 207 49 48 GLN C C 173.291 0.001 1 208 49 48 GLN CA C 54.593 0.003 1 209 49 48 GLN CB C 30.750 0.023 1 210 49 48 GLN N N 122.691 0.190 1 211 50 49 PHE H H 8.781 0.001 1 212 50 49 PHE C C 175.918 0.028 1 213 50 49 PHE CA C 55.013 0.000 1 214 50 49 PHE CB C 39.974 0.002 1 215 50 49 PHE N N 126.379 0.133 1 216 51 50 GLU H H 8.975 0.001 1 217 51 50 GLU C C 178.452 0.013 1 218 51 50 GLU CA C 60.435 0.000 1 219 51 50 GLU CB C 28.686 0.038 1 220 51 50 GLU N N 121.087 0.130 1 221 52 51 GLN H H 7.955 0.001 1 222 52 51 GLN C C 176.031 0.000 1 223 52 51 GLN CA C 55.836 0.035 1 224 52 51 GLN CB C 28.617 0.030 1 225 52 51 GLN N N 111.198 0.130 1 226 53 52 GLY H H 6.696 0.025 1 227 53 52 GLY C C 169.076 0.010 1 228 53 52 GLY CA C 45.303 0.007 1 229 53 52 GLY N N 110.800 0.107 1 230 54 53 ARG H H 8.216 0.003 1 231 54 53 ARG C C 172.397 0.011 1 232 54 53 ARG CA C 54.227 0.005 1 233 54 53 ARG CB C 31.755 0.046 1 234 54 53 ARG N N 111.857 0.149 1 235 55 54 TYR H H 8.477 0.002 1 236 55 54 TYR C C 175.461 0.017 1 237 55 54 TYR CA C 55.296 0.025 1 238 55 54 TYR CB C 41.539 0.028 1 239 55 54 TYR N N 116.379 0.146 1 240 56 55 TYR H H 8.221 0.001 1 241 56 55 TYR C C 173.431 0.004 1 242 56 55 TYR CA C 55.886 0.002 1 243 56 55 TYR CB C 37.595 0.070 1 244 56 55 TYR N N 114.651 0.130 1 245 57 56 ALA H H 9.034 0.001 1 246 57 56 ALA C C 175.737 0.001 1 247 57 56 ALA CA C 49.148 0.003 1 248 57 56 ALA CB C 20.777 0.002 1 249 57 56 ALA N N 125.460 0.134 1 250 58 57 THR H H 8.907 0.001 1 251 58 57 THR C C 173.462 0.036 1 252 58 57 THR CA C 61.458 0.007 1 253 58 57 THR CB C 71.683 0.010 1 254 58 57 THR N N 116.923 0.129 1 255 59 58 TYR H H 8.974 0.001 1 256 59 58 TYR C C 173.954 0.001 1 257 59 58 TYR CA C 55.682 0.039 1 258 59 58 TYR CB C 41.320 0.158 1 259 59 58 TYR N N 126.784 0.131 1 260 60 59 GLU H H 8.049 0.002 1 261 60 59 GLU C C 173.989 0.000 1 262 60 59 GLU CA C 52.924 0.069 1 263 60 59 GLU CB C 33.742 0.063 1 264 60 59 GLU N N 124.211 0.103 1 265 61 60 ASN H H 8.155 0.008 1 266 61 60 ASN C C 173.609 0.000 1 267 61 60 ASN CA C 52.281 0.000 1 268 61 60 ASN N N 118.358 0.148 1 269 62 61 ILE C C 174.902 0.000 1 270 62 61 ILE CA C 60.980 0.000 1 271 62 61 ILE CB C 40.772 0.000 1 272 63 62 SER H H 8.339 0.002 1 273 63 62 SER C C 173.027 0.023 1 274 63 62 SER CA C 57.295 0.005 1 275 63 62 SER CB C 64.306 0.049 1 276 63 62 SER N N 121.368 0.144 1 277 64 63 ASP H H 8.596 0.001 1 278 64 63 ASP C C 176.570 0.014 1 279 64 63 ASP CA C 53.291 0.014 1 280 64 63 ASP CB C 42.484 0.002 1 281 64 63 ASP N N 124.300 0.134 1 282 65 64 THR H H 8.581 0.002 1 283 65 64 THR C C 175.975 0.000 1 284 65 64 THR CA C 61.608 0.008 1 285 65 64 THR CB C 68.856 0.016 1 286 65 64 THR N N 116.756 0.142 1 287 66 65 SER H H 8.492 0.002 1 288 66 65 SER CA C 59.728 0.000 1 289 66 65 SER CB C 63.514 0.000 1 290 66 65 SER N N 119.276 0.168 1 291 67 66 SER C C 175.122 0.000 1 292 67 66 SER CA C 58.554 0.000 1 293 68 67 GLY H H 8.184 0.002 1 294 68 67 GLY C C 173.832 0.011 1 295 68 67 GLY CA C 45.207 0.011 1 296 68 67 GLY N N 110.266 0.145 1 297 69 68 ASN H H 7.972 0.001 1 298 69 68 ASN C C 174.239 0.000 1 299 69 68 ASN CA C 52.730 0.000 1 300 69 68 ASN CB C 38.938 0.000 1 301 69 68 ASN N N 118.584 0.135 1 302 73 72 GLN C C 173.610 0.000 1 303 73 72 GLN CA C 53.449 0.000 1 304 74 73 GLN H H 8.697 0.001 1 305 74 73 GLN C C 173.276 0.026 1 306 74 73 GLN CA C 53.544 0.000 1 307 74 73 GLN CB C 34.344 0.092 1 308 74 73 GLN N N 123.659 0.137 1 309 75 74 ASN H H 8.295 0.002 1 310 75 74 ASN C C 173.733 0.009 1 311 75 74 ASN CA C 50.269 0.001 1 312 75 74 ASN CB C 40.070 0.009 1 313 75 74 ASN N N 118.720 0.155 1 314 76 75 LEU H H 8.847 0.001 1 315 76 75 LEU C C 174.267 0.001 1 316 76 75 LEU CA C 53.916 0.030 1 317 76 75 LEU CB C 44.633 0.036 1 318 76 75 LEU N N 124.353 0.132 1 319 77 76 LEU H H 9.222 0.001 1 320 77 76 LEU C C 175.188 0.001 1 321 77 76 LEU CA C 52.934 0.007 1 322 77 76 LEU CB C 45.115 0.000 1 323 77 76 LEU N N 124.437 0.130 1 324 78 77 GLY H H 9.132 0.002 1 325 78 77 GLY C C 171.733 0.024 1 326 78 77 GLY CA C 44.160 0.013 1 327 78 77 GLY N N 107.288 0.159 1 328 79 78 SER H H 8.210 0.001 1 329 79 78 SER C C 171.279 0.027 1 330 79 78 SER CA C 57.272 0.025 1 331 79 78 SER CB C 65.596 0.011 1 332 79 78 SER N N 117.437 0.139 1 333 80 79 TYR H H 8.092 0.003 1 334 80 79 TYR C C 173.757 0.001 1 335 80 79 TYR CA C 56.243 0.013 1 336 80 79 TYR CB C 42.570 0.054 1 337 80 79 TYR N N 122.901 0.099 1 338 81 80 ASP H H 8.268 0.001 1 339 81 80 ASP C C 173.607 0.036 1 340 81 80 ASP CA C 52.665 0.003 1 341 81 80 ASP CB C 45.787 0.004 1 342 81 80 ASP N N 122.808 0.131 1 343 82 81 ALA H H 8.931 0.001 1 344 82 81 ALA C C 177.094 0.000 1 345 82 81 ALA CA C 49.745 0.000 1 346 82 81 ALA CB C 21.511 0.007 1 347 82 81 ALA N N 121.201 0.131 1 348 83 82 PHE H H 7.404 0.000 1 349 83 82 PHE C C 176.299 0.012 1 350 83 82 PHE CA C 52.664 0.001 1 351 83 82 PHE CB C 42.121 0.004 1 352 83 82 PHE N N 116.305 0.133 1 353 84 83 LEU H H 9.049 0.000 1 354 84 83 LEU C C 173.599 0.000 1 355 84 83 LEU CA C 51.874 0.000 1 356 84 83 LEU CB C 45.366 0.000 1 357 84 83 LEU N N 122.208 0.134 1 358 85 84 PRO C C 175.877 0.000 1 359 85 84 PRO CA C 63.041 0.000 1 360 85 84 PRO CB C 31.486 0.000 1 361 86 85 ILE H H 8.205 0.001 1 362 86 85 ILE C C 175.749 0.003 1 363 86 85 ILE CA C 59.267 0.004 1 364 86 85 ILE CB C 39.835 0.025 1 365 86 85 ILE N N 119.588 0.131 1 366 87 86 GLY H H 8.364 0.001 1 367 87 86 GLY C C 174.218 0.005 1 368 87 86 GLY CA C 45.692 0.011 1 369 87 86 GLY N N 112.396 0.140 1 370 88 87 ASP H H 8.249 0.000 1 371 88 87 ASP C C 175.839 0.005 1 372 88 87 ASP CA C 53.535 0.015 1 373 88 87 ASP CB C 41.132 0.042 1 374 88 87 ASP N N 122.109 0.139 1 375 89 88 ASN H H 8.449 0.001 1 376 89 88 ASN C C 175.100 0.001 1 377 89 88 ASN CA C 53.922 0.102 1 378 89 88 ASN CB C 38.183 0.015 1 379 89 88 ASN N N 116.308 0.130 1 380 90 89 ASN H H 8.477 0.001 1 381 90 89 ASN C C 173.909 0.019 1 382 90 89 ASN CA C 54.386 0.019 1 383 90 89 ASN CB C 37.657 0.008 1 384 90 89 ASN N N 115.987 0.131 1 385 91 90 THR H H 7.600 0.001 1 386 91 90 THR C C 173.763 0.013 1 387 91 90 THR CA C 62.170 0.000 1 388 91 90 THR CB C 68.706 0.009 1 389 91 90 THR N N 116.991 0.137 1 390 92 91 LYS H H 9.249 0.002 1 391 92 91 LYS C C 175.815 0.030 1 392 92 91 LYS CA C 54.406 0.015 1 393 92 91 LYS CB C 34.498 0.069 1 394 92 91 LYS N N 124.349 0.171 1 395 93 92 LEU H H 8.650 0.001 1 396 93 92 LEU C C 176.260 0.009 1 397 93 92 LEU CA C 53.829 0.036 1 398 93 92 LEU CB C 43.614 0.023 1 399 93 92 LEU N N 123.462 0.132 1 400 94 93 PHE H H 8.485 0.001 1 401 94 93 PHE C C 173.154 0.008 1 402 94 93 PHE CA C 55.136 0.003 1 403 94 93 PHE CB C 44.093 0.000 1 404 94 93 PHE N N 119.497 0.125 1 405 95 94 GLY H H 8.256 0.000 1 406 95 94 GLY C C 171.815 0.011 1 407 95 94 GLY CA C 44.382 0.003 1 408 95 94 GLY N N 105.945 0.152 1 409 96 95 GLY H H 9.005 0.001 1 410 96 95 GLY C C 171.826 0.013 1 411 96 95 GLY CA C 46.886 0.005 1 412 96 95 GLY N N 110.432 0.148 1 413 97 96 ALA H H 8.039 0.001 1 414 97 96 ALA C C 176.928 0.004 1 415 97 96 ALA CA C 49.401 0.007 1 416 97 96 ALA CB C 23.425 0.013 1 417 97 96 ALA N N 117.509 0.134 1 418 98 97 THR H H 8.379 0.000 1 419 98 97 THR C C 172.492 0.005 1 420 98 97 THR CA C 61.730 0.000 1 421 98 97 THR CB C 73.046 0.004 1 422 98 97 THR N N 118.891 0.136 1 423 99 98 LEU H H 8.880 0.001 1 424 99 98 LEU C C 175.753 0.023 1 425 99 98 LEU CA C 53.474 0.005 1 426 99 98 LEU CB C 47.243 0.000 1 427 99 98 LEU N N 124.958 0.137 1 428 100 99 GLY H H 8.635 0.001 1 429 100 99 GLY C C 169.886 0.006 1 430 100 99 GLY CA C 46.631 0.006 1 431 100 99 GLY N N 106.645 0.152 1 432 101 100 LEU H H 9.088 0.001 1 433 101 100 LEU C C 174.876 0.001 1 434 101 100 LEU CA C 53.071 0.002 1 435 101 100 LEU CB C 46.646 0.000 1 436 101 100 LEU N N 121.823 0.146 1 437 102 101 VAL H H 8.291 0.004 1 438 102 101 VAL C C 174.015 0.001 1 439 102 101 VAL CA C 59.666 0.011 1 440 102 101 VAL CB C 35.406 0.038 1 441 102 101 VAL N N 118.857 0.148 1 442 103 102 LYS H H 9.141 0.001 1 443 103 102 LYS C C 174.712 0.015 1 444 103 102 LYS CA C 54.433 0.010 1 445 103 102 LYS CB C 35.733 0.018 1 446 103 102 LYS N N 126.552 0.151 1 447 104 103 LEU H H 8.921 0.002 1 448 104 103 LEU C C 175.344 0.000 1 449 104 103 LEU CA C 53.492 0.000 1 450 104 103 LEU CB C 45.004 0.000 1 451 104 103 LEU N N 129.605 0.147 1 452 105 104 GLU C C 174.715 0.000 1 453 105 104 GLU CA C 54.626 0.000 1 454 105 104 GLU CB C 33.055 0.000 1 455 106 105 GLN H H 8.532 0.001 1 456 106 105 GLN C C 175.002 0.006 1 457 106 105 GLN CA C 54.679 0.015 1 458 106 105 GLN CB C 30.252 0.001 1 459 106 105 GLN N N 121.991 0.128 1 460 107 106 ASP H H 8.414 0.000 1 461 107 106 ASP C C 176.352 0.000 1 462 107 106 ASP CA C 54.108 0.000 1 463 107 106 ASP CB C 41.448 0.003 1 464 107 106 ASP N N 123.884 0.138 1 465 108 107 GLY H H 8.226 0.001 1 466 108 107 GLY C C 174.111 0.013 1 467 108 107 GLY CA C 44.992 0.008 1 468 108 107 GLY N N 110.294 0.140 1 469 109 108 LYS H H 8.130 0.001 1 470 109 108 LYS C C 176.988 0.011 1 471 109 108 LYS CA C 56.243 0.019 1 472 109 108 LYS CB C 31.957 0.000 1 473 109 108 LYS N N 121.045 0.149 1 474 110 109 GLY H H 8.313 0.001 1 475 110 109 GLY C C 173.856 0.001 1 476 110 109 GLY CA C 44.969 0.009 1 477 110 109 GLY N N 109.975 0.156 1 478 111 110 PHE H H 7.848 0.002 1 479 111 110 PHE C C 175.195 0.026 1 480 111 110 PHE CA C 57.334 0.000 1 481 111 110 PHE CB C 39.311 0.024 1 482 111 110 PHE N N 119.873 0.138 1 483 112 111 LYS H H 8.073 0.009 1 484 112 111 LYS C C 175.898 0.018 1 485 112 111 LYS CA C 55.928 0.071 1 486 112 111 LYS CB C 32.741 0.010 1 487 112 111 LYS N N 122.900 0.052 1 488 113 112 ARG H H 8.277 0.002 1 489 113 112 ARG C C 175.762 0.011 1 490 113 112 ARG CA C 55.877 0.020 1 491 113 112 ARG CB C 30.678 0.033 1 492 113 112 ARG N N 123.302 0.121 1 493 114 113 ASP H H 8.300 0.001 1 494 114 113 ASP C C 175.875 0.000 1 495 114 113 ASP CA C 54.219 0.004 1 496 114 113 ASP CB C 41.279 0.036 1 497 114 113 ASP N N 122.193 0.124 1 498 115 114 SER H H 8.071 0.001 1 499 115 114 SER C C 173.567 0.013 1 500 115 114 SER CA C 57.538 0.002 1 501 115 114 SER CB C 64.306 0.004 1 502 115 114 SER N N 114.844 0.127 1 503 116 115 ASP H H 8.400 0.001 1 504 116 115 ASP C C 175.096 0.005 1 505 116 115 ASP CA C 53.960 0.004 1 506 116 115 ASP CB C 42.394 0.031 1 507 116 115 ASP N N 122.371 0.141 1 508 117 116 VAL H H 8.014 0.002 1 509 117 116 VAL C C 175.349 0.002 1 510 117 116 VAL CA C 60.785 0.009 1 511 117 116 VAL CB C 33.507 0.017 1 512 117 116 VAL N N 120.462 0.131 1 513 118 117 GLY H H 8.871 0.001 1 514 118 117 GLY C C 172.079 0.012 1 515 118 117 GLY CA C 43.255 0.001 1 516 118 117 GLY N N 112.807 0.144 1 517 119 118 TYR H H 8.406 0.001 1 518 119 118 TYR C C 175.024 0.024 1 519 119 118 TYR CA C 55.968 0.016 1 520 119 118 TYR CB C 41.089 0.009 1 521 119 118 TYR N N 117.704 0.141 1 522 120 119 ALA H H 8.605 0.001 1 523 120 119 ALA C C 175.218 0.008 1 524 120 119 ALA CA C 49.661 0.011 1 525 120 119 ALA CB C 23.187 0.047 1 526 120 119 ALA N N 122.050 0.140 1 527 121 120 ALA H H 8.476 0.001 1 528 121 120 ALA C C 175.881 0.015 1 529 121 120 ALA CA C 50.340 0.015 1 530 121 120 ALA CB C 22.465 0.085 1 531 121 120 ALA N N 119.839 0.130 1 532 122 121 GLY H H 8.931 0.001 1 533 122 121 GLY C C 171.191 0.003 1 534 122 121 GLY CA C 46.065 0.010 1 535 122 121 GLY N N 107.807 0.145 1 536 123 122 LEU H H 8.351 0.001 1 537 123 122 LEU C C 174.684 0.000 1 538 123 122 LEU CA C 53.227 0.009 1 539 123 122 LEU CB C 48.385 0.014 1 540 123 122 LEU N N 118.400 0.144 1 541 124 123 GLN H H 8.159 0.001 1 542 124 123 GLN C C 173.895 0.011 1 543 124 123 GLN CA C 54.004 0.010 1 544 124 123 GLN CB C 28.135 0.010 1 545 124 123 GLN N N 113.455 0.131 1 546 125 124 ALA H H 8.638 0.001 1 547 125 124 ALA C C 174.962 0.002 1 548 125 124 ALA CA C 50.796 0.004 1 549 125 124 ALA CB C 22.006 0.019 1 550 125 124 ALA N N 118.711 0.130 1 551 126 125 GLY H H 7.103 0.002 1 552 126 125 GLY C C 170.390 0.002 1 553 126 125 GLY CA C 46.410 0.003 1 554 126 125 GLY N N 103.783 0.000 1 555 127 126 ILE H H 8.564 0.001 1 556 127 126 ILE C C 172.353 0.001 1 557 127 126 ILE CA C 58.593 0.001 1 558 127 126 ILE CB C 42.164 0.006 1 559 127 126 ILE N N 118.306 0.138 1 560 128 127 LEU H H 9.236 0.000 1 561 128 127 LEU C C 173.613 0.007 1 562 128 127 LEU CA C 53.528 0.002 1 563 128 127 LEU CB C 46.804 0.014 1 564 128 127 LEU N N 129.339 0.137 1 565 129 128 GLN H H 9.352 0.001 1 566 129 128 GLN C C 175.093 0.004 1 567 129 128 GLN CA C 53.194 0.004 1 568 129 128 GLN CB C 30.947 0.010 1 569 129 128 GLN N N 126.801 0.133 1 570 130 129 GLU H H 8.518 0.001 1 571 130 129 GLU C C 176.651 0.008 1 572 130 129 GLU CA C 56.181 0.004 1 573 130 129 GLU CB C 27.761 0.015 1 574 130 129 GLU N N 126.822 0.135 1 575 131 130 LEU H H 8.708 0.008 1 576 131 130 LEU C C 176.044 0.013 1 577 131 130 LEU CA C 55.175 0.025 1 578 131 130 LEU CB C 43.855 0.020 1 579 131 130 LEU N N 126.031 0.123 1 580 132 131 SER H H 8.282 0.001 1 581 132 131 SER C C 174.092 0.000 1 582 132 131 SER CA C 55.993 0.000 1 583 132 131 SER CB C 64.945 0.000 1 584 132 131 SER N N 113.049 0.140 1 585 133 132 LYS C C 176.346 0.000 1 586 133 132 LYS CA C 58.497 0.000 1 587 133 132 LYS CB C 31.009 0.000 1 588 134 133 ASN H H 7.761 0.002 1 589 134 133 ASN C C 173.897 0.004 1 590 134 133 ASN CA C 53.578 0.006 1 591 134 133 ASN CB C 40.830 0.015 1 592 134 133 ASN N N 110.795 0.135 1 593 135 134 ALA H H 7.562 0.001 1 594 135 134 ALA C C 176.250 0.003 1 595 135 134 ALA CA C 51.157 0.002 1 596 135 134 ALA CB C 22.133 0.001 1 597 135 134 ALA N N 122.181 0.135 1 598 136 135 SER H H 8.717 0.001 1 599 136 135 SER C C 172.507 0.029 1 600 136 135 SER CA C 56.164 0.004 1 601 136 135 SER CB C 66.255 0.016 1 602 136 135 SER N N 114.617 0.135 1 603 137 136 ILE H H 8.592 0.000 1 604 137 136 ILE C C 173.136 0.003 1 605 137 136 ILE CA C 58.420 0.001 1 606 137 136 ILE CB C 42.700 0.030 1 607 137 136 ILE N N 114.495 0.130 1 608 138 137 GLU H H 8.902 0.001 1 609 138 137 GLU C C 173.792 0.010 1 610 138 137 GLU CA C 53.537 0.004 1 611 138 137 GLU CB C 35.118 0.004 1 612 138 137 GLU N N 122.016 0.127 1 613 139 138 GLY H H 8.485 0.000 1 614 139 138 GLY C C 171.817 0.012 1 615 139 138 GLY CA C 44.070 0.004 1 616 139 138 GLY N N 107.847 0.140 1 617 140 139 GLY H H 7.841 0.002 1 618 140 139 GLY C C 169.172 0.002 1 619 140 139 GLY CA C 45.714 0.002 1 620 140 139 GLY N N 108.290 0.158 1 621 141 140 TYR H H 8.726 0.001 1 622 141 140 TYR C C 173.643 0.000 1 623 141 140 TYR CA C 55.179 0.012 1 624 141 140 TYR CB C 43.144 0.031 1 625 141 140 TYR N N 119.674 0.148 1 626 142 141 ARG H H 8.502 0.003 1 627 142 141 ARG C C 173.533 0.052 1 628 142 141 ARG CA C 53.813 0.080 1 629 142 141 ARG CB C 33.239 0.035 1 630 142 141 ARG N N 125.021 0.133 1 631 143 142 TYR H H 8.978 0.001 1 632 143 142 TYR C C 173.475 0.000 1 633 143 142 TYR CA C 56.428 0.008 1 634 143 142 TYR CB C 41.642 0.002 1 635 143 142 TYR N N 128.805 0.141 1 636 144 143 LEU H H 8.117 0.003 1 637 144 143 LEU C C 175.370 0.000 1 638 144 143 LEU CA C 52.893 0.011 1 639 144 143 LEU CB C 45.924 0.015 1 640 144 143 LEU N N 125.513 0.155 1 641 145 144 ARG H H 8.810 0.002 1 642 145 144 ARG C C 175.452 0.000 1 643 145 144 ARG CA C 54.077 0.000 1 644 145 144 ARG CB C 31.377 0.000 1 645 145 144 ARG N N 122.193 0.149 1 646 146 145 THR C C 172.708 0.000 1 647 146 145 THR CA C 59.117 0.000 1 648 146 145 THR CB C 70.345 0.000 1 649 147 146 ASN H H 8.259 0.002 1 650 147 146 ASN C C 175.341 0.021 1 651 147 146 ASN CA C 51.880 0.016 1 652 147 146 ASN CB C 38.462 0.045 1 653 147 146 ASN N N 120.236 0.131 1 654 148 147 ALA H H 8.256 0.002 1 655 148 147 ALA C C 176.378 0.002 1 656 148 147 ALA CA C 52.179 0.008 1 657 148 147 ALA CB C 18.626 0.001 1 658 148 147 ALA N N 124.724 0.133 1 659 149 148 SER H H 8.372 0.001 1 660 149 148 SER C C 174.123 0.009 1 661 149 148 SER CA C 57.281 0.006 1 662 149 148 SER CB C 64.685 0.014 1 663 149 148 SER N N 115.670 0.123 1 664 150 149 THR H H 8.228 0.001 1 665 150 149 THR C C 173.858 0.000 1 666 150 149 THR CA C 61.189 0.031 1 667 150 149 THR CB C 69.105 0.000 1 668 150 149 THR N N 115.292 0.163 1 669 151 150 GLU H H 8.186 0.002 1 670 151 150 GLU C C 176.121 0.000 1 671 151 150 GLU CA C 56.002 0.004 1 672 151 150 GLU CB C 29.931 0.037 1 673 151 150 GLU N N 123.244 0.144 1 674 152 151 MET H H 8.248 0.001 1 675 152 151 MET C C 175.810 0.000 1 676 152 151 MET CA C 55.254 0.001 1 677 152 151 MET CB C 33.247 0.005 1 678 152 151 MET N N 121.600 0.147 1 679 153 152 THR H H 8.113 0.003 1 680 153 152 THR C C 172.907 0.000 1 681 153 152 THR CA C 59.365 0.000 1 682 153 152 THR CB C 69.366 0.000 1 683 153 152 THR N N 117.486 0.137 1 684 156 155 GLY C C 174.620 0.000 1 685 156 155 GLY CA C 45.280 0.000 1 686 157 156 GLY H H 8.175 0.003 1 687 157 156 GLY C C 173.801 0.000 1 688 157 156 GLY CA C 44.929 0.004 1 689 157 156 GLY N N 109.059 0.145 1 690 158 157 ASN H H 8.114 0.001 1 691 158 157 ASN C C 175.025 0.004 1 692 158 157 ASN CA C 52.791 0.019 1 693 158 157 ASN CB C 38.532 0.060 1 694 158 157 ASN N N 118.630 0.152 1 695 159 158 LYS H H 8.169 0.001 1 696 159 158 LYS C C 176.361 0.002 1 697 159 158 LYS CA C 56.472 0.038 1 698 159 158 LYS CB C 32.403 0.009 1 699 159 158 LYS N N 121.755 0.129 1 700 160 159 LEU H H 8.173 0.001 1 701 160 159 LEU C C 177.408 0.000 1 702 160 159 LEU CA C 55.162 0.012 1 703 160 159 LEU CB C 42.690 0.049 1 704 160 159 LEU N N 123.084 0.125 1 705 161 160 GLY H H 8.117 0.003 1 706 161 160 GLY C C 173.574 0.005 1 707 161 160 GLY CA C 44.877 0.001 1 708 161 160 GLY N N 109.180 0.137 1 709 162 161 SER H H 8.064 0.000 1 710 162 161 SER C C 173.715 0.000 1 711 162 161 SER CA C 57.965 0.020 1 712 162 161 SER CB C 63.856 0.124 1 713 162 161 SER N N 115.719 0.164 1 714 163 162 LEU H H 8.282 0.004 1 715 163 162 LEU C C 175.609 0.000 1 716 163 162 LEU CA C 54.385 0.025 1 717 163 162 LEU CB C 43.046 0.003 1 718 163 162 LEU N N 123.433 0.156 1 719 164 163 ASP H H 8.356 0.003 1 720 164 163 ASP C C 175.122 0.000 1 721 164 163 ASP CA C 53.400 0.000 1 722 164 163 ASP CB C 41.200 0.000 1 723 164 163 ASP N N 122.223 0.132 1 724 167 166 SER C C 172.472 0.000 1 725 167 166 SER CA C 56.760 0.000 1 726 168 167 SER H H 8.678 0.001 1 727 168 167 SER C C 173.318 0.000 1 728 168 167 SER CA C 56.763 0.000 1 729 168 167 SER CB C 65.286 0.000 1 730 168 167 SER N N 115.939 0.143 1 731 169 168 SER C C 172.500 0.000 1 732 169 168 SER CA C 56.569 0.000 1 733 169 168 SER CB C 65.738 0.000 1 734 170 169 GLN H H 8.745 0.002 1 735 170 169 GLN C C 174.697 0.028 1 736 170 169 GLN CA C 54.038 0.002 1 737 170 169 GLN CB C 32.383 0.001 1 738 170 169 GLN N N 122.951 0.126 1 739 171 170 PHE H H 7.771 0.002 1 740 171 170 PHE C C 174.628 0.017 1 741 171 170 PHE CA C 56.200 0.011 1 742 171 170 PHE CB C 41.552 0.051 1 743 171 170 PHE N N 125.628 0.128 1 744 172 171 TYR H H 8.696 0.002 1 745 172 171 TYR C C 171.727 0.012 1 746 172 171 TYR CA C 56.046 0.015 1 747 172 171 TYR CB C 42.439 0.025 1 748 172 171 TYR N N 121.558 0.130 1 749 173 172 LEU H H 8.971 0.004 1 750 173 172 LEU C C 176.352 0.014 1 751 173 172 LEU CA C 52.743 0.012 1 752 173 172 LEU CB C 46.537 0.000 1 753 173 172 LEU N N 119.230 0.137 1 754 174 173 GLY H H 9.085 0.002 1 755 174 173 GLY C C 170.680 0.006 1 756 174 173 GLY CA C 44.920 0.001 1 757 174 173 GLY N N 107.248 0.156 1 758 175 174 ALA H H 8.575 0.001 1 759 175 174 ALA C C 174.546 0.003 1 760 175 174 ALA CA C 50.312 0.012 1 761 175 174 ALA CB C 21.643 0.019 1 762 175 174 ALA N N 121.461 0.138 1 763 176 175 ASN H H 8.762 0.001 1 764 176 175 ASN C C 173.370 0.029 1 765 176 175 ASN CA C 51.599 0.000 1 766 176 175 ASN CB C 41.957 0.003 1 767 176 175 ASN N N 117.370 0.128 1 768 177 176 TYR H H 9.570 0.000 1 769 177 176 TYR C C 173.924 0.040 1 770 177 176 TYR CA C 56.438 0.009 1 771 177 176 TYR CB C 42.401 0.001 1 772 177 176 TYR N N 122.724 0.128 1 773 178 177 LYS H H 8.284 0.002 1 774 178 177 LYS C C 174.336 0.012 1 775 178 177 LYS CA C 54.243 0.062 1 776 178 177 LYS CB C 33.951 0.043 1 777 178 177 LYS N N 127.067 0.142 1 778 179 178 PHE H H 8.385 0.001 1 779 179 178 PHE C C 175.157 0.014 1 780 179 178 PHE CA C 56.481 0.011 1 781 179 178 PHE CB C 39.058 0.045 1 782 179 178 PHE N N 120.778 0.138 1 783 180 179 LEU H H 8.051 0.001 1 784 180 179 LEU C C 177.160 0.000 1 785 180 179 LEU CA C 54.579 0.000 1 786 180 179 LEU CB C 42.581 0.000 1 787 180 179 LEU N N 123.610 0.131 1 stop_ save_