data_7188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Im7, Immunity Protein of Colicin E7 ; _BMRB_accession_number 7188 _BMRB_flat_file_name bmr7188.str _Entry_type original _Submission_date 2006-06-21 _Accession_date 2006-06-22 _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 'Le Duff' Cecile S. . 2 Whittaker Sara B-M. . 3 Radford Sheena E. . 4 Moore Geoffrey R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 153 "13C chemical shifts" 486 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-10-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Urea_Im7 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterisation of the Conformational Properties of Urea-unfolded Im7: Implications for the Early Stages of Protein Folding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17045607 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Le Duff' Cecile S. . 2 Whittaker Sara B-M. . 3 Radford Sheena E. . 4 Moore Geoffrey R. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 364 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 824 _Page_last 835 _Year 2006 _Details . loop_ _Keyword Im7 NMR 'protein folding' urea stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Im7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Im7 native' $Im7 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Immunity protein to Colicin E7' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Im7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Im7 native' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MELKNSISDYTEAEFVQLLK EIEKENVAATDDVLDVLLEH FVKITEHPDGTDLIYYPSDN RDDSPEGIVKEIKEWRAANG KPGFKQG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LEU 4 LYS 5 ASN 6 SER 7 ILE 8 SER 9 ASP 10 TYR 11 THR 12 GLU 13 ALA 14 GLU 15 PHE 16 VAL 17 GLN 18 LEU 19 LEU 20 LYS 21 GLU 22 ILE 23 GLU 24 LYS 25 GLU 26 ASN 27 VAL 28 ALA 29 ALA 30 THR 31 ASP 32 ASP 33 VAL 34 LEU 35 ASP 36 VAL 37 LEU 38 LEU 39 GLU 40 HIS 41 PHE 42 VAL 43 LYS 44 ILE 45 THR 46 GLU 47 HIS 48 PRO 49 ASP 50 GLY 51 THR 52 ASP 53 LEU 54 ILE 55 TYR 56 TYR 57 PRO 58 SER 59 ASP 60 ASN 61 ARG 62 ASP 63 ASP 64 SER 65 PRO 66 GLU 67 GLY 68 ILE 69 VAL 70 LYS 71 GLU 72 ILE 73 LYS 74 GLU 75 TRP 76 ARG 77 ALA 78 ALA 79 ASN 80 GLY 81 LYS 82 PRO 83 GLY 84 PHE 85 LYS 86 GLN 87 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 7316 colicin_E7_inhibitor_polypeptide 98.85 94 100.00 100.00 9.77e-55 BMRB 7317 L53AI54A_variant_of_Im7* 98.85 94 97.67 97.67 3.02e-53 PDB 1AYI "Colicin E7 Immunity Protein Im7" 100.00 87 100.00 100.00 1.11e-55 PDB 1CEI "Structure Determination Of The Colicin E7 Immunity Protein (Imme7) That Binds Specifically To The Dnase-Type Colicin E7 And Inh" 100.00 94 100.00 100.00 2.15e-55 PDB 1MZ8 "Crystal Structures Of The Nuclease Domain Of Cole7IM7 IN Complex With A Phosphate Ion And A Zinc Ion" 100.00 87 100.00 100.00 1.11e-55 PDB 1UJZ "Crystal Structure Of The E7_cIM7_C COMPLEX; A Computationally Designed Interface Between The Colicin E7 Dnase And The Im7 Immun" 100.00 87 98.85 98.85 2.24e-54 PDB 1UNK "Structure Of Colicin E7 Immunity Protein" 100.00 87 100.00 100.00 1.11e-55 PDB 1ZNV "How A His-Metal Finger Endonuclease Cole7 Binds And Cleaves Dna With A Transition Metal Ion Cofactor" 100.00 93 100.00 100.00 1.07e-55 PDB 2ERH "Crystal Structure Of The E7_gIM7_G COMPLEX; A DESIGNED Interface Between The Colicin E7 Dnase And The Im7 Immunity Protein" 100.00 87 97.70 97.70 1.70e-53 PDB 2JAZ "Crystal Structure Of The Mutant N560d Of The Nuclease Domain Of Cole7 In Complex With Im7" 100.00 87 100.00 100.00 1.11e-55 PDB 2JB0 "Crystal Structure Of The Mutant H573a Of The Nuclease Domain Of Cole7 In Complex With Im7" 100.00 87 100.00 100.00 1.11e-55 PDB 2JBG "Crystal Structure Of The Mutant N560a Of The Nuclease Domain Of Cole7 In Complex With Im7" 100.00 87 100.00 100.00 1.11e-55 PDB 4F37 "Structure Of The Tethered N-terminus Of Alzheimer's Disease A Peptide" 98.85 124 100.00 100.00 1.28e-54 PDB 7CEI "The Endonuclease Domain Of Colicin E7 In Complex With Its Inhibitor Im7 Protein" 100.00 87 100.00 100.00 1.11e-55 EMBL CAA45165 "immunity protein [Escherichia coli]" 100.00 87 100.00 100.00 1.11e-55 EMBL CDK50318 "Colicin immunity protein/pyocin immunity protein [Escherichia coli IS5]" 100.00 87 100.00 100.00 1.11e-55 GB AAA23071 "immunity protein [Plasmid ColE7]" 100.00 87 97.70 98.85 6.59e-54 GB AIC79148 "colicin E7 immunity protein [Escherichia coli]" 100.00 87 100.00 100.00 1.11e-55 GB ELE46623 "colicin-E7 immunity protein [Escherichia coli KTE72]" 100.00 87 100.00 100.00 1.11e-55 GB EOW15734 "colicin-E7 immunity protein [Escherichia coli KTE107]" 100.00 87 100.00 100.00 1.11e-55 GB EQR11492 "colicin-E7 immunity protein [Escherichia coli HVH 118 (4-7345399)]" 100.00 87 100.00 100.00 1.11e-55 REF WP_001560791 "colicin-E7 immunity protein [Escherichia coli]" 100.00 87 100.00 100.00 1.11e-55 REF WP_032277812 "colicin transporter, partial [Escherichia coli]" 60.92 53 100.00 100.00 1.62e-27 REF YP_009060494 "colicin E7 immunity protein [Escherichia coli]" 100.00 87 100.00 100.00 1.11e-55 SP Q03708 "RecName: Full=Colicin-E7 immunity protein; AltName: Full=ImmE7; AltName: Full=Microcin-E7 immunity protein [Escherichia coli]" 100.00 87 100.00 100.00 1.11e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Im7 'Escherichia Coli' 562 Eubacteria . 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 $Im7 'recombinant technology' 'Escherichia coli' . . . . 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 $Im7 1 mM '[U-15N; U-13C]' 'Phosphate buffer' 20 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Im7 1 mM '[U-15N; U-13C]' 'Phosphate buffer' 20 mM . Urea 6 M . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 499.865 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N-1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-1H HSQC' _Sample_label . save_ save_2D_15N-1H_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-1H HSQC NH2 only' _Sample_label . save_ save_3D_HNCO,_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO, 3D HNCA' _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label . save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.1 pH temperature 283 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $Urea_Im7 $Urea_Im7 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $Urea_Im7 $Urea_Im7 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $Urea_Im7 $Urea_Im7 DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 $Urea_Im7 $Urea_Im7 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Wild-type Im7 in native conditions' loop_ _Experiment_label '2D 15N-1H HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Im7 native' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.970 0.02 1 2 1 1 MET C C 171.920 0.2 1 3 1 1 MET CA C 55.000 0.2 1 4 1 1 MET CB C 33.290 0.2 1 5 2 2 GLU H H 8.660 0.02 1 6 2 2 GLU HA H 4.240 0.02 1 7 2 2 GLU C C 175.090 0.2 1 8 2 2 GLU CA C 55.930 0.2 1 9 2 2 GLU CB C 30.150 0.2 1 10 2 2 GLU N N 125.320 0.38 1 11 3 3 LEU H H 8.420 0.02 1 12 3 3 LEU HA H 4.300 0.02 1 13 3 3 LEU C C 177.160 0.2 1 14 3 3 LEU CA C 54.250 0.2 1 15 3 3 LEU CB C 40.710 0.2 1 16 3 3 LEU N N 125.480 0.38 1 17 4 4 LYS H H 7.790 0.02 1 18 4 4 LYS HA H 4.340 0.02 1 19 4 4 LYS C C 176.280 0.2 1 20 4 4 LYS CA C 55.490 0.2 1 21 4 4 LYS CB C 33.430 0.2 1 22 4 4 LYS N N 123.000 0.38 1 23 5 5 ASN H H 8.410 0.02 1 24 5 5 ASN HA H 4.560 0.02 1 25 5 5 ASN C C 175.100 0.2 1 26 5 5 ASN CA C 55.700 0.2 1 27 5 5 ASN CB C 40.060 0.2 1 28 5 5 ASN N N 115.560 0.38 1 29 6 6 SER H H 8.050 0.02 1 30 6 6 SER HA H 4.710 0.02 1 31 6 6 SER C C 174.900 0.2 1 32 6 6 SER CA C 56.780 0.2 1 33 6 6 SER CB C 65.960 0.2 1 34 6 6 SER N N 112.000 0.38 1 35 7 7 ILE H H 9.300 0.02 1 36 7 7 ILE HA H 3.920 0.02 1 37 7 7 ILE C C 175.370 0.2 1 38 7 7 ILE CA C 64.910 0.2 1 39 7 7 ILE CB C 36.880 0.2 1 40 7 7 ILE N N 125.770 0.38 1 41 8 8 SER H H 7.350 0.02 1 42 8 8 SER HA H 4.640 0.02 1 43 8 8 SER C C 174.220 0.2 1 44 8 8 SER CA C 59.240 0.2 1 45 8 8 SER CB C 63.160 0.2 1 46 8 8 SER N N 112.180 0.38 1 47 9 9 ASP H H 7.700 0.02 1 48 9 9 ASP HA H 4.700 0.02 1 49 9 9 ASP C C 175.970 0.2 1 50 9 9 ASP CA C 55.040 0.2 1 51 9 9 ASP CB C 43.350 0.2 1 52 9 9 ASP N N 117.950 0.38 1 53 10 10 TYR H H 8.130 0.02 1 54 10 10 TYR HA H 4.960 0.02 1 55 10 10 TYR C C 177.510 0.2 1 56 10 10 TYR CA C 58.270 0.2 1 57 10 10 TYR CB C 40.830 0.2 1 58 10 10 TYR N N 120.190 0.38 1 59 11 11 THR H H 8.790 0.02 1 60 11 11 THR HA H 4.970 0.02 1 61 11 11 THR C C 176.120 0.2 1 62 11 11 THR CA C 60.590 0.2 1 63 11 11 THR CB C 70.920 0.2 1 64 11 11 THR N N 112.250 0.38 1 65 12 12 GLU H H 9.100 0.02 1 66 12 12 GLU HA H 4.660 0.02 1 67 12 12 GLU C C 178.320 0.2 1 68 12 12 GLU CA C 60.720 0.2 1 69 12 12 GLU CB C 29.240 0.2 1 70 12 12 GLU N N 121.970 0.38 1 71 13 13 ALA H H 8.260 0.02 1 72 13 13 ALA HA H 4.350 0.02 1 73 13 13 ALA C C 181.810 0.2 1 74 13 13 ALA CA C 55.190 0.2 1 75 13 13 ALA CB C 18.200 0.2 1 76 13 13 ALA N N 118.610 0.38 1 77 14 14 GLU H H 7.950 0.02 1 78 14 14 GLU HA H 4.050 0.02 1 79 14 14 GLU C C 179.170 0.2 1 80 14 14 GLU CA C 58.950 0.2 1 81 14 14 GLU CB C 31.310 0.2 1 82 14 14 GLU N N 119.260 0.38 1 83 15 15 PHE H H 8.500 0.02 1 84 15 15 PHE HA H 3.920 0.02 1 85 15 15 PHE C C 177.630 0.2 1 86 15 15 PHE CA C 62.100 0.2 1 87 15 15 PHE CB C 40.280 0.2 1 88 15 15 PHE N N 124.200 0.38 1 89 16 16 VAL H H 8.550 0.02 1 90 16 16 VAL HA H 3.360 0.02 1 91 16 16 VAL C C 177.810 0.2 1 92 16 16 VAL CA C 67.750 0.2 1 93 16 16 VAL CB C 31.310 0.2 1 94 16 16 VAL N N 119.660 0.38 1 95 17 17 GLN H H 7.490 0.02 1 96 17 17 GLN HA H 3.850 0.02 1 97 17 17 GLN C C 178.430 0.2 1 98 17 17 GLN CA C 59.150 0.2 1 99 17 17 GLN CB C 27.610 0.2 1 100 17 17 GLN N N 117.810 0.38 1 101 18 18 LEU H H 7.520 0.02 1 102 18 18 LEU HA H 4.000 0.02 1 103 18 18 LEU C C 178.280 0.2 1 104 18 18 LEU CA C 58.760 0.2 1 105 18 18 LEU CB C 40.420 0.2 1 106 18 18 LEU N N 122.540 0.38 1 107 19 19 LEU H H 7.690 0.02 1 108 19 19 LEU HA H 3.730 0.02 1 109 19 19 LEU C C 180.060 0.2 1 110 19 19 LEU CA C 57.700 0.2 1 111 19 19 LEU CB C 40.770 0.2 1 112 19 19 LEU N N 119.100 0.38 1 113 20 20 LYS H H 8.350 0.02 1 114 20 20 LYS HA H 3.950 0.02 1 115 20 20 LYS C C 179.470 0.2 1 116 20 20 LYS CA C 59.320 0.2 1 117 20 20 LYS CB C 31.600 0.2 1 118 20 20 LYS N N 120.640 0.38 1 119 21 21 GLU H H 8.080 0.02 1 120 21 21 GLU HA H 4.020 0.02 1 121 21 21 GLU C C 178.970 0.2 1 122 21 21 GLU CA C 59.310 0.2 1 123 21 21 GLU CB C 28.740 0.2 1 124 21 21 GLU N N 123.170 0.38 1 125 22 22 ILE H H 7.950 0.02 1 126 22 22 ILE HA H 3.270 0.02 1 127 22 22 ILE C C 177.030 0.2 1 128 22 22 ILE CA C 66.380 0.2 1 129 22 22 ILE CB C 37.900 0.2 1 130 22 22 ILE N N 120.540 0.38 1 131 23 23 GLU H H 7.720 0.02 1 132 23 23 GLU HA H 3.940 0.02 1 133 23 23 GLU C C 179.000 0.2 1 134 23 23 GLU CA C 59.210 0.2 1 135 23 23 GLU CB C 29.560 0.2 1 136 23 23 GLU N N 118.650 0.38 1 137 24 24 LYS H H 7.560 0.02 1 138 24 24 LYS HA H 3.980 0.02 1 139 24 24 LYS C C 179.320 0.2 1 140 24 24 LYS CA C 59.090 0.2 1 141 24 24 LYS CB C 32.470 0.2 1 142 24 24 LYS N N 119.230 0.38 1 143 25 25 GLU H H 8.220 0.02 1 144 25 25 GLU HA H 4.220 0.02 1 145 25 25 GLU C C 178.090 0.2 1 146 25 25 GLU CA C 57.350 0.2 1 147 25 25 GLU CB C 29.190 0.2 1 148 25 25 GLU N N 119.000 0.38 1 149 26 26 ASN H H 8.410 0.02 1 150 26 26 ASN HA H 4.540 0.02 1 151 26 26 ASN C C 176.720 0.2 1 152 26 26 ASN CA C 55.610 0.2 1 153 26 26 ASN CB C 39.010 0.2 1 154 26 26 ASN N N 119.000 0.38 1 155 27 27 VAL H H 7.250 0.02 1 156 27 27 VAL HA H 4.190 0.02 1 157 27 27 VAL C C 176.180 0.2 1 158 27 27 VAL CA C 62.090 0.2 1 159 27 27 VAL CB C 31.770 0.2 1 160 27 27 VAL N N 112.670 0.38 1 161 28 28 ALA H H 7.450 0.02 1 162 28 28 ALA HA H 4.280 0.02 1 163 28 28 ALA C C 177.190 0.2 1 164 28 28 ALA CA C 52.480 0.2 1 165 28 28 ALA CB C 19.900 0.2 1 166 28 28 ALA N N 124.460 0.38 1 167 29 29 ALA H H 8.400 0.02 1 168 29 29 ALA C C 178.010 0.2 1 169 29 29 ALA CA C 53.920 0.2 1 170 29 29 ALA CB C 19.200 0.2 1 171 29 29 ALA N N 121.690 0.38 1 172 30 30 THR H H 7.970 0.02 1 173 30 30 THR HA H 4.510 0.02 1 174 30 30 THR C C 174.770 0.2 1 175 30 30 THR CA C 60.220 0.2 1 176 30 30 THR CB C 70.650 0.2 1 177 30 30 THR N N 109.250 0.38 1 178 31 31 ASP H H 8.500 0.02 1 179 31 31 ASP HA H 4.630 0.02 1 180 31 31 ASP C C 175.820 0.2 1 181 31 31 ASP CA C 54.380 0.2 1 182 31 31 ASP CB C 40.950 0.2 1 183 31 31 ASP N N 121.630 0.38 1 184 32 32 ASP H H 8.250 0.02 1 185 32 32 ASP HA H 4.360 0.02 1 186 32 32 ASP C C 177.810 0.2 1 187 32 32 ASP CA C 56.750 0.2 1 188 32 32 ASP CB C 40.510 0.2 1 189 32 32 ASP N N 118.700 0.38 1 190 33 33 VAL H H 7.940 0.02 1 191 33 33 VAL HA H 3.770 0.02 1 192 33 33 VAL C C 177.640 0.2 1 193 33 33 VAL CA C 65.120 0.2 1 194 33 33 VAL CB C 32.020 0.2 1 195 33 33 VAL N N 119.880 0.38 1 196 34 34 LEU H H 8.570 0.02 1 197 34 34 LEU HA H 3.780 0.02 1 198 34 34 LEU C C 177.640 0.2 1 199 34 34 LEU CA C 58.520 0.2 1 200 34 34 LEU CB C 41.560 0.2 1 201 34 34 LEU N N 122.210 0.38 1 202 35 35 ASP H H 8.290 0.02 1 203 35 35 ASP HA H 4.300 0.02 1 204 35 35 ASP C C 179.420 0.2 1 205 35 35 ASP CA C 57.940 0.2 1 206 35 35 ASP CB C 40.210 0.2 1 207 35 35 ASP N N 115.700 0.38 1 208 36 36 VAL H H 7.200 0.02 1 209 36 36 VAL HA H 3.730 0.02 1 210 36 36 VAL C C 179.460 0.2 1 211 36 36 VAL CA C 66.040 0.2 1 212 36 36 VAL CB C 32.150 0.2 1 213 36 36 VAL N N 120.170 0.38 1 214 37 37 LEU H H 8.090 0.02 1 215 37 37 LEU HA H 3.990 0.02 1 216 37 37 LEU C C 179.570 0.2 1 217 37 37 LEU CA C 58.130 0.2 1 218 37 37 LEU CB C 42.330 0.2 1 219 37 37 LEU N N 120.800 0.38 1 220 38 38 LEU H H 8.980 0.02 1 221 38 38 LEU HA H 4.020 0.02 1 222 38 38 LEU C C 179.290 0.2 1 223 38 38 LEU CA C 57.950 0.2 1 224 38 38 LEU CB C 41.360 0.2 1 225 38 38 LEU N N 118.860 0.38 1 226 39 39 GLU H H 7.900 0.02 1 227 39 39 GLU HA H 4.030 0.02 1 228 39 39 GLU C C 178.930 0.2 1 229 39 39 GLU CA C 59.630 0.2 1 230 39 39 GLU CB C 29.400 0.2 1 231 39 39 GLU N N 119.750 0.38 1 232 40 40 HIS H H 7.970 0.02 1 233 40 40 HIS HA H 4.340 0.02 1 234 40 40 HIS C C 175.970 0.2 1 235 40 40 HIS CA C 58.910 0.2 1 236 40 40 HIS CB C 31.420 0.2 1 237 40 40 HIS N N 119.400 0.38 1 238 41 41 PHE H H 8.780 0.02 1 239 41 41 PHE HA H 3.750 0.02 1 240 41 41 PHE C C 177.970 0.2 1 241 41 41 PHE CA C 62.680 0.2 1 242 41 41 PHE CB C 39.610 0.2 1 243 41 41 PHE N N 118.340 0.38 1 244 42 42 VAL H H 8.390 0.02 1 245 42 42 VAL HA H 3.310 0.02 1 246 42 42 VAL C C 178.270 0.2 1 247 42 42 VAL CA C 67.150 0.2 1 248 42 42 VAL CB C 32.160 0.2 1 249 42 42 VAL N N 120.950 0.38 1 250 43 43 LYS H H 8.040 0.02 1 251 43 43 LYS CA C 59.440 0.2 1 252 43 43 LYS CB C 32.880 0.2 1 253 43 43 LYS N N 120.780 0.38 1 254 44 44 ILE C C 178.150 0.2 1 255 44 44 ILE CA C 61.900 0.2 1 256 44 44 ILE CB C 37.400 0.2 1 257 45 45 THR H H 7.480 0.02 1 258 45 45 THR C C 176.280 0.2 1 259 45 45 THR CA C 65.630 0.2 1 260 45 45 THR CB C 69.620 0.2 1 261 45 45 THR N N 109.160 0.38 1 262 46 46 GLU H H 7.230 0.02 1 263 46 46 GLU HA H 3.780 0.02 1 264 46 46 GLU C C 173.250 0.2 1 265 46 46 GLU CA C 57.520 0.2 1 266 46 46 GLU CB C 28.880 0.2 1 267 46 46 GLU N N 112.440 0.38 1 268 47 47 HIS H H 7.040 0.02 1 269 47 47 HIS CA C 55.750 0.2 1 270 47 47 HIS CB C 32.110 0.2 1 271 47 47 HIS N N 119.570 0.38 1 272 48 48 PRO HA H 4.070 0.02 1 273 48 48 PRO C C 177.790 0.2 1 274 48 48 PRO CA C 64.690 0.2 1 275 48 48 PRO CB C 32.310 0.2 1 276 49 49 ASP H H 10.670 0.02 1 277 49 49 ASP HA H 4.650 0.02 1 278 49 49 ASP C C 177.520 0.2 1 279 49 49 ASP CA C 55.250 0.2 1 280 49 49 ASP CB C 40.570 0.2 1 281 49 49 ASP N N 121.230 0.38 1 282 50 50 GLY H H 7.930 0.02 1 283 50 50 GLY HA2 H 3.860 0.02 2 284 50 50 GLY C C 175.400 0.2 1 285 50 50 GLY CA C 47.130 0.2 1 286 50 50 GLY N N 107.710 0.38 1 287 51 51 THR H H 9.160 0.02 1 288 51 51 THR HA H 4.630 0.02 1 289 51 51 THR C C 176.520 0.2 1 290 51 51 THR CA C 64.570 0.2 1 291 51 51 THR CB C 67.960 0.2 1 292 51 51 THR N N 114.480 0.38 1 293 52 52 ASP H H 8.660 0.02 1 294 52 52 ASP HA H 4.470 0.02 1 295 52 52 ASP C C 177.660 0.2 1 296 52 52 ASP CA C 57.720 0.2 1 297 52 52 ASP CB C 39.210 0.2 1 298 52 52 ASP N N 125.960 0.38 1 299 53 53 LEU H H 7.190 0.02 1 300 53 53 LEU HA H 3.770 0.02 1 301 53 53 LEU C C 177.360 0.2 1 302 53 53 LEU CA C 57.470 0.2 1 303 53 53 LEU CB C 43.590 0.2 1 304 53 53 LEU N N 115.490 0.38 1 305 54 54 ILE H H 6.910 0.02 1 306 54 54 ILE HA H 3.350 0.02 1 307 54 54 ILE C C 177.280 0.2 1 308 54 54 ILE CA C 62.820 0.2 1 309 54 54 ILE CB C 39.410 0.2 1 310 54 54 ILE N N 113.480 0.38 1 311 55 55 TYR H H 7.080 0.02 1 312 55 55 TYR HA H 4.000 0.02 1 313 55 55 TYR C C 175.290 0.2 1 314 55 55 TYR CA C 60.740 0.2 1 315 55 55 TYR CB C 40.040 0.2 1 316 55 55 TYR N N 114.440 0.38 1 317 56 56 TYR H H 8.480 0.02 1 318 56 56 TYR CA C 55.480 0.2 1 319 56 56 TYR CB C 39.200 0.2 1 320 56 56 TYR N N 118.170 0.38 1 321 57 57 PRO HA H 4.200 0.02 1 322 57 57 PRO C C 177.310 0.2 1 323 57 57 PRO CA C 63.590 0.2 1 324 57 57 PRO CB C 32.380 0.2 1 325 58 58 SER H H 8.510 0.02 1 326 58 58 SER C C 174.770 0.2 1 327 58 58 SER CA C 57.980 0.2 1 328 58 58 SER CB C 64.340 0.2 1 329 58 58 SER N N 116.700 0.38 1 330 59 59 ASP H H 8.470 0.02 1 331 59 59 ASP HA H 4.430 0.02 1 332 59 59 ASP C C 176.460 0.2 1 333 59 59 ASP CA C 55.330 0.2 1 334 59 59 ASP CB C 40.570 0.2 1 335 59 59 ASP N N 121.550 0.38 1 336 60 60 ASN H H 8.240 0.02 1 337 60 60 ASN HA H 4.550 0.02 1 338 60 60 ASN C C 174.140 0.2 1 339 60 60 ASN CA C 53.430 0.2 1 340 60 60 ASN CB C 38.490 0.2 1 341 60 60 ASN N N 115.440 0.38 1 342 61 61 ARG H H 7.520 0.02 1 343 61 61 ARG C C 174.910 0.2 1 344 61 61 ARG CA C 54.840 0.2 1 345 61 61 ARG CB C 31.750 0.2 1 346 61 61 ARG N N 116.970 0.38 1 347 62 62 ASP H H 8.470 0.02 1 348 62 62 ASP HA H 4.440 0.02 1 349 62 62 ASP C C 175.870 0.2 1 350 62 62 ASP CA C 54.670 0.2 1 351 62 62 ASP CB C 41.370 0.2 1 352 62 62 ASP N N 121.110 0.38 1 353 63 63 ASP H H 8.550 0.02 1 354 63 63 ASP HA H 4.470 0.02 1 355 63 63 ASP C C 174.520 0.2 1 356 63 63 ASP CA C 52.760 0.2 1 357 63 63 ASP CB C 39.200 0.2 1 358 63 63 ASP N N 123.850 0.38 1 359 64 64 SER H H 7.880 0.02 1 360 64 64 SER CA C 56.460 0.2 1 361 64 64 SER CB C 63.690 0.2 1 362 64 64 SER N N 117.180 0.38 1 363 65 65 PRO HA H 4.130 0.02 1 364 65 65 PRO C C 177.710 0.2 1 365 65 65 PRO CA C 65.840 0.2 1 366 65 65 PRO CB C 32.790 0.2 1 367 66 66 GLU H H 8.940 0.02 1 368 66 66 GLU HA H 3.710 0.02 1 369 66 66 GLU C C 179.640 0.2 1 370 66 66 GLU CA C 61.260 0.2 1 371 66 66 GLU CB C 28.410 0.2 1 372 66 66 GLU N N 115.890 0.38 1 373 67 67 GLY H H 8.410 0.02 1 374 67 67 GLY HA2 H 3.980 0.02 2 375 67 67 GLY C C 176.490 0.2 1 376 67 67 GLY CA C 46.830 0.2 1 377 67 67 GLY N N 111.840 0.38 1 378 68 68 ILE H H 8.190 0.02 1 379 68 68 ILE HA H 3.580 0.02 1 380 68 68 ILE C C 178.140 0.2 1 381 68 68 ILE CA C 66.110 0.2 1 382 68 68 ILE CB C 38.010 0.2 1 383 68 68 ILE N N 124.200 0.38 1 384 69 69 VAL H H 8.250 0.02 1 385 69 69 VAL HA H 3.500 0.02 1 386 69 69 VAL C C 177.000 0.2 1 387 69 69 VAL CA C 68.200 0.2 1 388 69 69 VAL CB C 31.560 0.2 1 389 69 69 VAL N N 118.870 0.38 1 390 70 70 LYS H H 7.910 0.02 1 391 70 70 LYS HA H 3.950 0.02 1 392 70 70 LYS C C 178.010 0.2 1 393 70 70 LYS CA C 60.360 0.2 1 394 70 70 LYS CB C 32.600 0.2 1 395 70 70 LYS N N 120.030 0.38 1 396 71 71 GLU H H 7.690 0.02 1 397 71 71 GLU HA H 3.920 0.02 1 398 71 71 GLU C C 179.500 0.2 1 399 71 71 GLU CA C 59.690 0.2 1 400 71 71 GLU CB C 28.720 0.2 1 401 71 71 GLU N N 119.040 0.38 1 402 72 72 ILE H H 8.490 0.02 1 403 72 72 ILE HA H 3.680 0.02 1 404 72 72 ILE C C 177.570 0.2 1 405 72 72 ILE CA C 65.700 0.2 1 406 72 72 ILE CB C 37.990 0.2 1 407 72 72 ILE N N 118.970 0.38 1 408 73 73 LYS H H 9.160 0.02 1 409 73 73 LYS HA H 4.210 0.02 1 410 73 73 LYS C C 180.270 0.2 1 411 73 73 LYS CA C 59.890 0.2 1 412 73 73 LYS CB C 33.160 0.2 1 413 73 73 LYS N N 119.900 0.38 1 414 74 74 GLU H H 8.490 0.02 1 415 74 74 GLU HA H 4.020 0.02 1 416 74 74 GLU C C 179.200 0.2 1 417 74 74 GLU CA C 59.490 0.2 1 418 74 74 GLU CB C 29.440 0.2 1 419 74 74 GLU N N 119.180 0.38 1 420 75 75 TRP H H 8.770 0.02 1 421 75 75 TRP HA H 4.130 0.02 1 422 75 75 TRP C C 179.860 0.2 1 423 75 75 TRP CA C 63.050 0.2 1 424 75 75 TRP CB C 29.270 0.2 1 425 75 75 TRP N N 122.590 0.38 1 426 76 76 ARG H H 9.090 0.02 1 427 76 76 ARG C C 178.080 0.2 1 428 76 76 ARG CA C 60.820 0.2 1 429 76 76 ARG CB C 28.500 0.2 1 430 76 76 ARG N N 118.520 0.38 1 431 77 77 ALA H H 7.710 0.02 1 432 77 77 ALA C C 181.410 0.2 1 433 77 77 ALA CA C 55.160 0.2 1 434 77 77 ALA CB C 17.960 0.2 1 435 77 77 ALA N N 120.240 0.38 1 436 78 78 ALA H H 7.880 0.02 1 437 78 78 ALA C C 178.250 0.2 1 438 78 78 ALA CA C 54.100 0.2 1 439 78 78 ALA CB C 18.110 0.2 1 440 78 78 ALA N N 120.560 0.38 1 441 79 79 ASN H H 6.960 0.02 1 442 79 79 ASN HA H 4.410 0.02 1 443 79 79 ASN C C 174.020 0.2 1 444 79 79 ASN CA C 53.150 0.2 1 445 79 79 ASN CB C 39.170 0.2 1 446 79 79 ASN N N 113.400 0.38 1 447 80 80 GLY H H 7.480 0.02 1 448 80 80 GLY C C 174.430 0.2 1 449 80 80 GLY CA C 47.110 0.2 1 450 80 80 GLY N N 108.190 0.38 1 451 81 81 LYS H H 8.000 0.02 1 452 81 81 LYS CA C 53.280 0.2 1 453 81 81 LYS CB C 32.640 0.2 1 454 81 81 LYS N N 119.240 0.38 1 455 82 82 PRO HA H 4.200 0.02 1 456 82 82 PRO C C 176.650 0.2 1 457 82 82 PRO CA C 63.350 0.2 1 458 82 82 PRO CB C 32.780 0.2 1 459 83 83 GLY H H 8.320 0.02 1 460 83 83 GLY HA2 H 3.790 0.02 2 461 83 83 GLY C C 173.370 0.2 1 462 83 83 GLY CA C 43.210 0.2 1 463 83 83 GLY N N 110.590 0.38 1 464 84 84 PHE H H 7.810 0.02 1 465 84 84 PHE HA H 4.450 0.02 1 466 84 84 PHE C C 176.950 0.2 1 467 84 84 PHE CA C 59.080 0.2 1 468 84 84 PHE CB C 39.780 0.2 1 469 84 84 PHE N N 116.270 0.38 1 470 85 85 LYS H H 8.510 0.02 1 471 85 85 LYS HA H 4.090 0.02 1 472 85 85 LYS C C 176.500 0.2 1 473 85 85 LYS CA C 57.230 0.2 1 474 85 85 LYS CB C 32.710 0.2 1 475 85 85 LYS N N 123.950 0.38 1 476 86 86 GLN H H 8.610 0.02 1 477 86 86 GLN HA H 4.220 0.02 1 478 86 86 GLN C C 175.260 0.2 1 479 86 86 GLN CA C 56.360 0.2 1 480 86 86 GLN CB C 29.570 0.2 1 481 86 86 GLN N N 125.310 0.38 1 482 87 87 GLY H H 8.010 0.02 1 483 87 87 GLY CA C 46.160 0.2 1 484 87 87 GLY N N 116.760 0.38 1 stop_ save_ save_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'Im7 in 6M Urea' loop_ _Experiment_label '2D 15N-1H HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Im7 native' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 172.419 0.2 1 2 1 1 MET CA C 54.829 0.2 1 3 1 1 MET CB C 32.894 0.2 1 4 2 2 GLU C C 175.777 0.2 1 5 2 2 GLU CA C 55.912 0.2 1 6 2 2 GLU CB C 30.371 0.2 1 7 3 3 LEU C C 177.186 0.2 1 8 3 3 LEU CA C 54.806 0.2 1 9 3 3 LEU CB C 42.149 0.2 1 10 4 4 LYS C C 176.261 0.2 1 11 4 4 LYS CA C 56.074 0.2 1 12 4 4 LYS CB C 33.076 0.2 1 13 5 5 ASN C C 175.182 0.2 1 14 5 5 ASN CA C 53.013 0.2 1 15 5 5 ASN CB C 38.906 0.2 1 16 6 6 SER C C 174.467 0.2 1 17 6 6 SER CA C 58.138 0.2 1 18 6 6 SER CB C 63.762 0.2 1 19 7 7 ILE C C 176.294 0.2 1 20 7 7 ILE CA C 61.161 0.2 1 21 7 7 ILE CB C 38.682 0.2 1 22 8 8 SER C C 174.048 0.2 1 23 8 8 SER CA C 58.113 0.2 1 24 8 8 SER CB C 63.747 0.2 1 25 9 9 ASP C C 175.766 0.2 1 26 9 9 ASP CA C 54.159 0.2 1 27 9 9 ASP CB C 41.059 0.2 1 28 10 10 TYR C C 175.931 0.2 1 29 10 10 TYR CA C 57.831 0.2 1 30 10 10 TYR CB C 38.740 0.2 1 31 11 11 THR C C 174.169 0.2 1 32 11 11 THR CA C 61.428 0.2 1 33 11 11 THR CB C 69.859 0.2 1 34 12 12 GLU C C 176.305 0.2 1 35 12 12 GLU CA C 56.614 0.2 1 36 12 12 GLU CB C 29.997 0.2 1 37 13 13 ALA C C 177.836 0.2 1 38 13 13 ALA CA C 52.744 0.2 1 39 13 13 ALA CB C 19.052 0.2 1 40 14 14 GLU C C 176.349 0.2 1 41 14 14 GLU CA C 56.602 0.2 1 42 14 14 GLU CB C 30.353 0.2 1 43 15 15 PHE C C 175.491 0.2 1 44 15 15 PHE CA C 57.796 0.2 1 45 15 15 PHE CB C 39.323 0.2 1 46 16 16 VAL CA C 62.318 0.2 1 47 16 16 VAL CB C 32.762 0.2 1 48 17 17 GLN C C 175.744 0.2 1 49 17 17 GLN CA C 55.892 0.2 1 50 17 17 GLN CB C 29.242 0.2 1 51 18 18 LEU C C 177.164 0.2 1 52 18 18 LEU CA C 54.969 0.2 1 53 18 18 LEU CB C 42.072 0.2 1 54 19 19 LEU CA C 54.897 0.2 1 55 19 19 LEU CB C 42.071 0.2 1 56 20 20 LYS CA C 55.989 0.2 1 57 20 20 LYS CB C 33.017 0.2 1 58 21 21 GLU C C 174.213 0.2 1 59 21 21 GLU CA C 56.325 0.2 1 60 21 21 GLU CB C 30.074 0.2 1 61 22 22 ILE C C 176.283 0.2 1 62 22 22 ILE CA C 61.200 0.2 1 63 22 22 ILE CB C 38.487 0.2 1 64 23 23 GLU CA C 56.448 0.2 1 65 23 23 GLU CB C 30.078 0.2 1 66 24 24 LYS CA C 56.242 0.2 1 67 24 24 LYS CB C 33.117 0.2 1 68 25 25 GLU C C 176.151 0.2 1 69 25 25 GLU CA C 56.203 0.2 1 70 25 25 GLU CB C 30.283 0.2 1 71 26 26 ASN C C 175.028 0.2 1 72 26 26 ASN CA C 52.966 0.2 1 73 26 26 ASN CB C 38.699 0.2 1 74 27 27 VAL C C 175.667 0.2 1 75 27 27 VAL CA C 61.810 0.2 1 76 27 27 VAL CB C 32.603 0.2 1 77 28 28 ALA C C 177.351 0.2 1 78 28 28 ALA CA C 52.083 0.2 1 79 28 28 ALA CB C 19.080 0.2 1 80 29 29 ALA C C 177.891 0.2 1 81 29 29 ALA CA C 52.270 0.2 1 82 29 29 ALA CB C 19.063 0.2 1 83 30 30 THR C C 174.313 0.2 1 84 30 30 THR CA C 61.247 0.2 1 85 30 30 THR CB C 69.679 0.2 1 86 31 31 ASP CA C 54.114 0.2 1 87 31 31 ASP CB C 40.930 0.2 1 88 32 32 ASP C C 176.107 0.2 1 89 32 32 ASP CA C 54.230 0.2 1 90 32 32 ASP CB C 41.074 0.2 1 91 33 33 VAL C C 176.030 0.2 1 92 33 33 VAL CA C 62.267 0.2 1 93 33 33 VAL CB C 32.490 0.2 1 94 34 34 LEU C C 177.010 0.2 1 95 34 34 LEU CA C 54.825 0.2 1 96 34 34 LEU CB C 42.123 0.2 1 97 35 35 ASP C C 176.272 0.2 1 98 35 35 ASP CA C 54.185 0.2 1 99 35 35 ASP CB C 40.938 0.2 1 100 36 36 VAL C C 176.272 0.2 1 101 36 36 VAL CA C 62.231 0.2 1 102 36 36 VAL CB C 32.505 0.2 1 103 37 37 LEU CA C 55.033 0.2 1 104 37 37 LEU CB C 42.029 0.2 1 105 38 38 LEU C C 177.219 0.2 1 106 38 38 LEU CA C 54.855 0.2 1 107 38 38 LEU CB C 42.244 0.2 1 108 39 39 GLU C C 176.063 0.2 1 109 39 39 GLU CA C 56.282 0.2 1 110 39 39 GLU CB C 30.315 0.2 1 111 40 40 HIS C C 176.559 0.2 1 112 40 40 HIS CA C 55.137 0.2 1 113 40 40 HIS CB C 39.612 0.2 1 114 41 41 PHE C C 175.226 0.2 1 115 41 41 PHE CA C 57.429 0.2 1 116 41 41 PHE CB C 32.886 0.2 1 117 42 42 VAL C C 175.303 0.2 1 118 42 42 VAL CA C 61.868 0.2 1 119 42 42 VAL CB C 33.047 0.2 1 120 43 43 LYS C C 176.228 0.2 1 121 43 43 LYS CA C 55.972 0.2 1 122 43 43 LYS CB C 38.532 0.2 1 123 44 44 ILE C C 176.261 0.2 1 124 44 44 ILE CA C 60.760 0.2 1 125 44 44 ILE CB C 69.565 0.2 1 126 45 45 THR C C 174.114 0.2 1 127 45 45 THR CA C 61.313 0.2 1 128 45 45 THR CB C 30.392 0.2 1 129 46 46 GLU C C 175.744 0.2 1 130 46 46 GLU CA C 56.321 0.2 1 131 47 47 HIS CA C 53.478 0.2 1 132 47 47 HIS CB C 31.943 0.2 1 133 48 48 PRO C C 176.702 0.2 1 134 48 48 PRO CA C 63.183 0.2 1 135 48 48 PRO CB C 29.427 0.2 1 136 49 49 ASP CA C 54.198 0.2 1 137 49 49 ASP CB C 41.135 0.2 1 138 50 50 GLY C C 174.511 0.2 1 139 50 50 GLY CA C 45.351 0.2 1 140 51 51 THR CA C 61.855 0.2 1 141 51 51 THR CB C 69.757 0.2 1 142 52 52 ASP C C 175.843 0.2 1 143 52 52 ASP CA C 54.152 0.2 1 144 52 52 ASP CB C 40.929 0.2 1 145 53 53 LEU C C 176.702 0.2 1 146 53 53 LEU CA C 54.963 0.2 1 147 53 53 LEU CB C 42.099 0.2 1 148 54 54 ILE C C 175.248 0.2 1 149 54 54 ILE CA C 60.631 0.2 1 150 54 54 ILE CB C 38.704 0.2 1 151 55 55 TYR C C 174.544 0.2 1 152 55 55 TYR CA C 57.183 0.2 1 153 55 55 TYR CB C 39.022 0.2 1 154 56 56 TYR CA C 55.517 0.2 1 155 56 56 TYR CB C 38.793 0.2 1 156 57 57 PRO C C 176.746 0.2 1 157 57 57 PRO CA C 62.776 0.2 1 158 57 57 PRO CB C 32.003 0.2 1 159 58 58 SER C C 174.280 0.2 1 160 58 58 SER CA C 58.004 0.2 1 161 58 58 SER CB C 63.762 0.2 1 162 59 59 ASP C C 175.799 0.2 1 163 59 59 ASP CA C 54.004 0.2 1 164 59 59 ASP CB C 41.066 0.2 1 165 60 60 ASN C C 175.303 0.2 1 166 60 60 ASN CA C 53.049 0.2 1 167 60 60 ASN CB C 38.654 0.2 1 168 61 61 ARG C C 176.107 0.2 1 169 61 61 ARG CA C 56.198 0.2 1 170 61 61 ARG CB C 30.661 0.2 1 171 62 62 ASP CA C 54.212 0.2 1 172 62 62 ASP CB C 41.066 0.2 1 173 63 63 ASP C C 175.997 0.2 1 174 63 63 ASP CA C 53.714 0.2 1 175 63 63 ASP CB C 40.859 0.2 1 176 64 64 SER CA C 56.740 0.2 1 177 64 64 SER CB C 63.262 0.2 1 178 65 65 PRO C C 177.021 0.2 1 179 65 65 PRO CA C 63.319 0.2 1 180 65 65 PRO CB C 31.903 0.2 1 181 66 66 GLU C C 177.021 0.2 1 182 66 66 GLU CA C 56.703 0.2 1 183 66 66 GLU CB C 30.043 0.2 1 184 67 67 GLY C C 173.806 0.2 1 185 67 67 GLY CA C 45.059 0.2 1 186 68 68 ILE C C 176.140 0.2 1 187 68 68 ILE CA C 60.784 0.2 1 188 68 68 ILE CB C 38.527 0.2 1 189 69 69 VAL C C 176.019 0.2 1 190 69 69 VAL CA C 62.181 0.2 1 191 69 69 VAL CB C 32.805 0.2 1 192 70 70 LYS CA C 56.076 0.2 1 193 70 70 LYS CB C 33.085 0.2 1 194 71 71 GLU C C 176.074 0.2 1 195 71 71 GLU CA C 56.065 0.2 1 196 71 71 GLU CB C 29.761 0.2 1 197 72 72 ILE C C 176.107 0.2 1 198 72 72 ILE CA C 60.858 0.2 1 199 72 72 ILE CB C 38.290 0.2 1 200 73 73 LYS CA C 56.074 0.2 1 201 73 73 LYS CB C 33.094 0.2 1 202 74 74 GLU C C 175.898 0.2 1 203 74 74 GLU CA C 56.263 0.2 1 204 74 74 GLU CB C 30.334 0.2 1 205 75 75 TRP C C 175.997 0.2 1 206 75 75 TRP CA C 57.680 0.2 1 207 75 75 TRP CB C 29.430 0.2 1 208 76 76 ARG C C 175.237 0.2 1 209 76 76 ARG CA C 55.330 0.2 1 210 76 76 ARG CB C 31.266 0.2 1 211 77 77 ALA CA C 52.225 0.2 1 212 77 77 ALA CB C 18.793 0.2 1 213 78 78 ALA C C 177.494 0.2 1 214 78 78 ALA CA C 52.518 0.2 1 215 78 78 ALA CB C 18.866 0.2 1 216 79 79 ASN C C 175.656 0.2 1 217 79 79 ASN CA C 52.945 0.2 1 218 79 79 ASN CB C 38.699 0.2 1 219 80 80 GLY C C 173.520 0.2 1 220 80 80 GLY CA C 44.943 0.2 1 221 81 81 LYS CA C 54.396 0.2 1 222 81 81 LYS CB C 32.688 0.2 1 223 82 82 PRO CA C 63.136 0.2 1 224 82 82 PRO CB C 32.028 0.2 1 225 83 83 GLY C C 173.619 0.2 1 226 83 83 GLY CA C 44.729 0.2 1 227 84 84 PHE C C 175.458 0.2 1 228 84 84 PHE CA C 57.534 0.2 1 229 84 84 PHE CB C 39.707 0.2 1 230 85 85 LYS C C 175.744 0.2 1 231 85 85 LYS CA C 56.032 0.2 1 232 85 85 LYS CB C 33.207 0.2 1 233 86 86 GLN C C 175.292 0.2 1 234 86 86 GLN CA C 55.924 0.2 1 235 86 86 GLN CB C 30.140 0.2 1 236 87 87 GLY CA C 46.345 0.2 1 stop_ save_