data_17743 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N chemical shift assignments for the N-terminal domain of insulin-like growth factor binding protein-2 (IGFBP-2) ; _BMRB_accession_number 17743 _BMRB_flat_file_name bmr17743.str _Entry_type original _Submission_date 2011-06-28 _Accession_date 2011-06-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR backbone chemical shift assignments.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Galea Charles A. . 2 Mobli Mehdi . . 3 McNeil Kerrie A. . 4 Mulhern Terrence D. . 5 Wallace John C. . 6 King Glenn F. . 7 Forbes Briony E. . 8 Norton Raymond S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 80 "13C chemical shifts" 234 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 udpate BMRB 'update entry citation' 2011-07-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Insulin-like growth factor binding protein-2: NMR analysis and structural characterization of the N-terminal domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21951978 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Galea Charles A. . 2 Mobli Mehdi . . 3 McNeil Kerrie A. . 4 Mulhern Terrence D. . 5 Wallace John C. . 6 King Glenn F. . 7 Forbes Briony E. . 8 Norton Raymond S. . stop_ _Journal_abbreviation Biochimie _Journal_name_full Biochimie _Journal_volume 94 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 608 _Page_last 616 _Year 2012 _Details . loop_ _Keyword 'chemical shift' IGFBP-2 'Insulin-like growth factor binding protein' N-domain NMR structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IGFBP-2 N-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-BP-2, chain 1' $IGFBP-2_N-domain 'N-BP-2, chain 2' $IGFBP-2_N-domain stop_ _System_molecular_weight 10222.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'N-BP-2, chain 1' 1 'N-BP-2, chain 2' stop_ loop_ _Biological_function 'Insulin-like growth factor inhibitor' stop_ _Database_query_date . _Details 'N-terminal domain of IGFBP-2' save_ ######################## # Monomeric polymers # ######################## save_IGFBP-2_N-domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IGFBP-2_N-domain _Molecular_mass 10222.9 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Insulin-like growth factor inhibitor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GPEVLFRCPPCTPERLAACG PPPVAPPAAVAAVAGGARMP CAELVREPGCGCCSVCARLE GEACGVYTPRCGQGLRCYPH PGSELPLQALVMGEGTCEKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 PRO 3 1 GLU 4 2 VAL 5 3 LEU 6 4 PHE 7 5 ARG 8 6 CYS 9 7 PRO 10 8 PRO 11 9 CYS 12 10 THR 13 11 PRO 14 12 GLU 15 13 ARG 16 14 LEU 17 15 ALA 18 16 ALA 19 17 CYS 20 18 GLY 21 19 PRO 22 20 PRO 23 21 PRO 24 22 VAL 25 23 ALA 26 24 PRO 27 25 PRO 28 26 ALA 29 27 ALA 30 28 VAL 31 29 ALA 32 30 ALA 33 31 VAL 34 32 ALA 35 33 GLY 36 34 GLY 37 35 ALA 38 36 ARG 39 37 MET 40 38 PRO 41 39 CYS 42 40 ALA 43 41 GLU 44 42 LEU 45 43 VAL 46 44 ARG 47 45 GLU 48 46 PRO 49 47 GLY 50 48 CYS 51 49 GLY 52 50 CYS 53 51 CYS 54 52 SER 55 53 VAL 56 54 CYS 57 55 ALA 58 56 ARG 59 57 LEU 60 58 GLU 61 59 GLY 62 60 GLU 63 61 ALA 64 62 CYS 65 63 GLY 66 64 VAL 67 65 TYR 68 66 THR 69 67 PRO 70 68 ARG 71 69 CYS 72 70 GLY 73 71 GLN 74 72 GLY 75 73 LEU 76 74 ARG 77 75 CYS 78 76 TYR 79 77 PRO 80 78 HIS 81 79 PRO 82 80 GLY 83 81 SER 84 82 GLU 85 83 LEU 86 84 PRO 87 85 LEU 88 86 GLN 89 87 ALA 90 88 LEU 91 89 VAL 92 90 MET 93 91 GLY 94 92 GLU 95 93 GLY 96 94 THR 97 95 CYS 98 96 GLU 99 97 LYS 100 98 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 DBJ BAD92746 "insulin-like growth factor binding protein 2 variant [Homo sapiens]" 98.00 292 98.98 98.98 7.28e-57 EMBL CAA34373 "unnamed protein product [Homo sapiens]" 98.00 328 100.00 100.00 2.86e-57 GB AAA03246 "insulin-like growth factor binding protein 2 [Homo sapiens]" 98.00 328 100.00 100.00 2.51e-57 GB AAA36048 "insulin-like growth factor binding protein 2 [Homo sapiens]" 98.00 328 98.98 98.98 3.07e-56 GB AAB22308 "insulin-like growth factor binding protein-2 [Homo sapiens]" 98.00 328 100.00 100.00 2.51e-57 GB AAH04312 "Insulin-like growth factor binding protein 2, 36kDa [Homo sapiens]" 98.00 328 100.00 100.00 2.51e-57 GB AAH09902 "Insulin-like growth factor binding protein 2, 36kDa [Homo sapiens]" 98.00 328 100.00 100.00 2.51e-57 REF NP_000588 "insulin-like growth factor-binding protein 2 isoform a precursor [Homo sapiens]" 98.00 328 100.00 100.00 2.51e-57 REF XP_001087071 "PREDICTED: insulin-like growth factor binding protein 2, 36kDa [Macaca mulatta]" 98.00 326 100.00 100.00 1.69e-57 REF XP_003254105 "PREDICTED: insulin-like growth factor-binding protein 2 isoform X2 [Nomascus leucogenys]" 98.00 330 100.00 100.00 2.11e-57 REF XP_003780748 "PREDICTED: LOW QUALITY PROTEIN: insulin-like growth factor-binding protein 2 [Pongo abelii]" 98.00 326 98.98 100.00 3.67e-57 REF XP_003907977 "PREDICTED: insulin-like growth factor-binding protein 2 [Papio anubis]" 98.00 326 100.00 100.00 1.78e-57 SP P18065 "RecName: Full=Insulin-like growth factor-binding protein 2; Short=IBP-2; Short=IGF-binding protein 2; Short=IGFBP-2; Flags: Pre" 98.00 325 100.00 100.00 2.20e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IGFBP-2_N-domain Human 9606 Eukaryota Metazoa Homo sapiens 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 _Details $IGFBP-2_N-domain 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET32(a) 'Added 3C protease cleavage site in linker between thioredoxin fusion protein and N-BP-2 gene.' 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 $IGFBP-2_N-domain 0.07 mM '[U-100% 15N]' $IGFBP-2_N-domain 0.07 mM '[U-100% 13C; U-100% 15N]' 'sodium citrate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 0.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 8.0 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_RNMRTK _Saveframe_category software _Name RNMRTK _Version 3.0 loop_ _Vendor _Address _Electronic_address '(RNMRTK) Hoch and Stern' ; Gregory P. Mullen NMR Structural Biology Facility University of Connecticut Health Center ; http://rnmrtk.uchc.edu/rnmrtk/RNMRTK.html stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Equipped with cryogenically cooled triple resonance TXI probe.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Equipped with cryogenically cooled triple resonance TXI probe.' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Equipped with cryogenically cooled triple resonance TXI probe.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 0.001 M pH 5.0 0.1 pH pressure 1 . atm temperature 308 0.05 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 dioxane C 13 'methylene protons' ppm 0.00 . indirect . . . 0.251449530 dioxane H 1 'methylene protons' ppm 3.53 external direct . . . 1.0 dioxane N 15 'methylene protons' ppm 0.00 . 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' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(CA)CO' '3D 1H-15N NOESY' 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 'N-BP-2, chain 1' _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 2 PRO C C 176.670 0.20 1 2 -1 2 PRO CA C 63.360 0.200 1 3 -1 2 PRO CB C 32.330 0.200 1 4 1 3 GLU H H 8.790 0.02 1 5 1 3 GLU C C 176.471 0.20 1 6 1 3 GLU CA C 57.088 0.200 1 7 1 3 GLU CB C 29.830 0.200 1 8 1 3 GLU N N 121.474 0.20 1 9 2 4 VAL H H 8.139 0.02 1 10 2 4 VAL C C 175.950 0.20 1 11 2 4 VAL CA C 62.486 0.200 1 12 2 4 VAL CB C 32.870 0.200 1 13 2 4 VAL N N 121.307 0.20 1 14 3 5 LEU H H 8.254 0.02 1 15 3 5 LEU C C 177.060 0.20 1 16 3 5 LEU CA C 52.923 0.200 1 17 3 5 LEU CB C 45.100 0.200 1 18 3 5 LEU N N 126.296 0.20 1 19 4 6 PHE H H 9.197 0.02 1 20 4 6 PHE C C 173.490 0.20 1 21 4 6 PHE CA C 54.330 0.200 1 22 4 6 PHE N N 117.574 0.20 1 23 5 7 ARG H H 8.782 0.02 1 24 5 7 ARG C C 176.650 0.20 1 25 5 7 ARG CA C 56.366 0.200 1 26 5 7 ARG N N 122.600 0.20 1 27 6 8 CYS H H 8.351 0.02 1 28 6 8 CYS CA C 55.000 0.200 1 29 6 8 CYS N N 123.416 0.20 1 30 8 10 PRO C C 176.433 0.20 1 31 8 10 PRO CA C 63.190 0.200 1 32 8 10 PRO CB C 32.064 0.200 1 33 9 11 CYS H H 8.493 0.02 1 34 9 11 CYS CA C 55.827 0.200 1 35 9 11 CYS CB C 44.592 0.200 1 36 9 11 CYS N N 118.559 0.20 1 37 11 13 PRO C C 179.414 0.200 1 38 11 13 PRO CA C 66.257 0.200 1 39 11 13 PRO CB C 31.860 0.200 1 40 12 14 GLU H H 9.028 0.02 1 41 12 14 GLU C C 179.224 0.200 1 42 12 14 GLU CA C 60.106 0.200 1 43 12 14 GLU CB C 28.680 0.200 1 44 12 14 GLU N N 117.232 0.20 1 45 13 15 ARG H H 7.673 0.02 1 46 13 15 ARG C C 179.360 0.200 1 47 13 15 ARG CA C 59.034 0.200 1 48 13 15 ARG CB C 30.770 0.200 1 49 13 15 ARG N N 120.665 0.20 1 50 14 16 LEU H H 8.196 0.02 1 51 14 16 LEU C C 180.291 0.200 1 52 14 16 LEU CA C 57.590 0.200 1 53 14 16 LEU CB C 41.800 0.200 1 54 14 16 LEU N N 119.907 0.20 1 55 15 17 ALA H H 8.059 0.02 1 56 15 17 ALA C C 178.832 0.20 1 57 15 17 ALA CA C 54.230 0.200 1 58 15 17 ALA CB C 18.200 0.200 1 59 15 17 ALA N N 119.660 0.20 1 60 16 18 ALA H H 7.352 0.02 1 61 16 18 ALA C C 178.309 0.20 1 62 16 18 ALA CA C 52.770 0.200 1 63 16 18 ALA CB C 18.670 0.200 1 64 16 18 ALA N N 118.959 0.20 1 65 17 19 CYS H H 7.539 0.02 1 66 17 19 CYS C C 175.778 0.20 1 67 17 19 CYS CA C 56.430 0.200 1 68 17 19 CYS CB C 39.590 0.200 1 69 17 19 CYS N N 116.639 0.20 1 70 18 20 GLY H H 8.150 0.02 1 71 18 20 GLY CA C 44.594 0.200 1 72 18 20 GLY N N 108.844 0.20 1 73 21 23 PRO C C 176.363 0.20 1 74 21 23 PRO CA C 63.034 0.200 1 75 21 23 PRO CB C 31.960 0.200 1 76 22 24 VAL H H 7.992 0.02 1 77 22 24 VAL C C 175.526 0.20 1 78 22 24 VAL CA C 61.370 0.200 1 79 22 24 VAL CB C 33.580 0.200 1 80 22 24 VAL N N 117.895 0.20 1 81 23 25 ALA H H 8.365 0.02 1 82 23 25 ALA CA C 50.412 0.200 1 83 23 25 ALA CB C 18.510 0.200 1 84 23 25 ALA N N 128.250 0.20 1 85 25 27 PRO C C 177.051 0.20 1 86 25 27 PRO CA C 63.512 0.200 1 87 25 27 PRO CB C 32.020 0.200 1 88 26 28 ALA H H 8.334 0.02 1 89 26 28 ALA C C 177.919 0.20 1 90 26 28 ALA CA C 52.912 0.200 1 91 26 28 ALA CB C 19.320 0.200 1 92 26 28 ALA N N 122.942 0.20 1 93 27 29 ALA H H 8.217 0.02 1 94 27 29 ALA C C 178.095 0.20 1 95 27 29 ALA CA C 53.060 0.200 1 96 27 29 ALA CB C 19.290 0.200 1 97 27 29 ALA N N 121.812 0.20 1 98 28 30 VAL H H 7.844 0.02 1 99 28 30 VAL C C 176.153 0.20 1 100 28 30 VAL CA C 62.705 0.200 1 101 28 30 VAL CB C 32.810 0.200 1 102 28 30 VAL N N 117.398 0.20 1 103 29 31 ALA H H 8.204 0.02 1 104 29 31 ALA C C 177.638 0.20 1 105 29 31 ALA CA C 52.850 0.200 1 106 29 31 ALA CB C 19.280 0.200 1 107 29 31 ALA N N 125.764 0.20 1 108 30 32 ALA H H 8.131 0.02 1 109 30 32 ALA C C 177.990 0.20 1 110 30 32 ALA CA C 52.870 0.200 1 111 30 32 ALA CB C 19.270 0.200 1 112 30 32 ALA N N 122.311 0.20 1 113 31 33 VAL H H 7.924 0.02 1 114 31 33 VAL C C 176.245 0.20 1 115 31 33 VAL CA C 62.270 0.200 1 116 31 33 VAL CB C 32.990 0.200 1 117 31 33 VAL N N 117.942 0.20 1 118 32 34 ALA H H 8.371 0.02 1 119 32 34 ALA C C 178.340 0.20 1 120 32 34 ALA CA C 52.900 0.200 1 121 32 34 ALA CB C 19.140 0.200 1 122 32 34 ALA N N 127.045 0.20 1 123 33 35 GLY H H 8.411 0.02 1 124 33 35 GLY C C 174.929 0.20 1 125 33 35 GLY CA C 45.650 0.200 1 126 33 35 GLY N N 108.464 0.20 1 127 34 36 GLY H H 8.271 0.02 1 128 34 36 GLY C C 173.860 0.20 1 129 34 36 GLY CA C 45.310 0.200 1 130 34 36 GLY N N 108.641 0.20 1 131 35 37 ALA H H 8.161 0.02 1 132 35 37 ALA C C 177.524 0.20 1 133 35 37 ALA CA C 52.488 0.200 1 134 35 37 ALA CB C 19.560 0.200 1 135 35 37 ALA N N 123.492 0.20 1 136 36 38 ARG H H 8.332 0.02 1 137 36 38 ARG C C 175.993 0.20 1 138 36 38 ARG CA C 55.773 0.200 1 139 36 38 ARG CB C 30.960 0.200 1 140 36 38 ARG N N 120.147 0.20 1 141 37 39 MET H H 8.446 0.02 1 142 37 39 MET C C 174.217 0.200 1 143 37 39 MET CA C 53.190 0.200 1 144 37 39 MET N N 122.955 0.20 1 145 38 40 PRO C C 177.560 0.20 1 146 38 40 PRO CA C 62.840 0.200 1 147 38 40 PRO CB C 32.170 0.200 1 148 39 41 CYS H H 9.029 0.02 1 149 39 41 CYS C C 174.099 0.20 1 150 39 41 CYS CA C 55.890 0.200 1 151 39 41 CYS CB C 40.080 0.200 1 152 39 41 CYS N N 122.150 0.20 1 153 40 42 ALA H H 8.488 0.02 1 154 40 42 ALA C C 177.604 0.20 1 155 40 42 ALA CA C 54.060 0.200 1 156 40 42 ALA CB C 19.510 0.200 1 157 40 42 ALA N N 124.660 0.20 1 158 41 43 GLU H H 7.859 0.02 1 159 41 43 GLU C C 173.840 0.20 1 160 41 43 GLU CA C 55.550 0.200 1 161 41 43 GLU CB C 32.190 0.200 1 162 41 43 GLU N N 117.743 0.20 1 163 42 44 LEU H H 8.621 0.02 1 164 42 44 LEU C C 177.120 0.200 1 165 42 44 LEU CA C 53.930 0.200 1 166 42 44 LEU CB C 43.880 0.200 1 167 42 44 LEU N N 127.679 0.20 1 168 43 45 VAL H H 9.432 0.02 1 169 43 45 VAL CA C 58.895 0.200 1 170 43 45 VAL CB C 35.860 0.200 1 171 43 45 VAL N N 116.900 0.20 1 172 44 46 ARG H H 8.266 0.02 1 173 44 46 ARG CA C 56.542 0.200 1 174 44 46 ARG CB C 33.050 0.200 1 175 44 46 ARG N N 121.565 0.20 1 176 45 47 GLU H H 8.048 0.02 1 177 45 47 GLU CA C 57.475 0.200 1 178 45 47 GLU CB C 31.820 0.200 1 179 45 47 GLU N N 128.456 0.20 1 180 46 48 PRO C C 177.409 0.200 1 181 46 48 PRO CA C 62.880 0.200 1 182 46 48 PRO CB C 32.560 0.200 1 183 47 49 GLY H H 8.661 0.02 1 184 47 49 GLY CA C 46.250 0.200 1 185 47 49 GLY N N 109.062 0.20 1 186 48 50 CYS H H 8.895 0.02 1 187 48 50 CYS C C 176.244 0.20 1 188 48 50 CYS N N 118.073 0.20 1 189 49 51 GLY H H 7.926 0.02 1 190 49 51 GLY CA C 46.211 0.200 1 191 49 51 GLY N N 108.235 0.20 1 192 50 52 CYS H H 8.477 0.02 1 193 50 52 CYS C C 175.370 0.200 1 194 50 52 CYS CA C 55.730 0.200 1 195 50 52 CYS N N 119.148 0.20 1 196 51 53 CYS H H 8.719 0.02 1 197 51 53 CYS C C 173.350 0.20 1 198 51 53 CYS CA C 52.749 0.200 1 199 51 53 CYS CB C 37.040 0.200 1 200 51 53 CYS N N 122.200 0.20 1 201 52 54 SER H H 8.726 0.02 1 202 52 54 SER C C 173.413 0.20 1 203 52 54 SER CA C 58.743 0.200 1 204 52 54 SER CB C 65.240 0.200 1 205 52 54 SER N N 117.090 0.20 1 206 53 55 VAL H H 9.349 0.02 1 207 53 55 VAL C C 176.000 0.20 1 208 53 55 VAL CA C 58.747 0.200 1 209 53 55 VAL CB C 35.770 0.200 1 210 53 55 VAL N N 116.957 0.20 1 211 54 56 CYS H H 8.452 0.02 1 212 54 56 CYS CA C 56.400 0.200 1 213 54 56 CYS CB C 40.550 0.200 1 214 54 56 CYS N N 122.670 0.20 1 215 55 57 ALA H H 8.491 0.02 1 216 55 57 ALA C C 178.404 0.20 1 217 55 57 ALA CA C 52.280 0.200 1 218 55 57 ALA CB C 18.600 0.200 1 219 55 57 ALA N N 125.379 0.20 1 220 56 58 ARG H H 8.296 0.02 1 221 56 58 ARG C C 175.087 0.20 1 222 56 58 ARG CA C 54.783 0.200 1 223 56 58 ARG CB C 31.330 0.200 1 224 56 58 ARG N N 121.416 0.20 1 225 57 59 LEU H H 9.045 0.02 1 226 57 59 LEU C C 176.716 0.20 1 227 57 59 LEU CA C 52.900 0.200 1 228 57 59 LEU CB C 43.120 0.200 1 229 57 59 LEU N N 123.324 0.20 1 230 58 60 GLU H H 8.238 0.02 1 231 58 60 GLU C C 177.800 0.20 1 232 58 60 GLU CA C 58.630 0.200 1 233 58 60 GLU CB C 29.320 0.200 1 234 58 60 GLU N N 119.901 0.20 1 235 59 61 GLY H H 9.683 0.02 1 236 59 61 GLY C C 174.568 0.20 1 237 59 61 GLY CA C 45.391 0.200 1 238 59 61 GLY N N 114.640 0.20 1 239 60 62 GLU H H 8.392 0.02 1 240 60 62 GLU C C 175.077 0.20 1 241 60 62 GLU CA C 56.606 0.200 1 242 60 62 GLU CB C 31.710 0.200 1 243 60 62 GLU N N 120.131 0.20 1 244 61 63 ALA H H 8.372 0.02 1 245 61 63 ALA C C 176.710 0.20 1 246 61 63 ALA CA C 52.030 0.200 1 247 61 63 ALA CB C 19.910 0.200 1 248 61 63 ALA N N 122.065 0.20 1 249 62 64 CYS H H 8.037 0.02 1 250 62 64 CYS CA C 53.430 0.200 1 251 62 64 CYS N N 114.198 0.20 1 252 63 65 GLY H H 8.293 0.02 1 253 63 65 GLY C C 174.440 0.20 1 254 63 65 GLY CA C 45.534 0.200 1 255 63 65 GLY N N 108.010 0.20 1 256 64 66 VAL H H 8.187 0.02 1 257 64 66 VAL C C 174.260 0.20 1 258 64 66 VAL CA C 58.885 0.200 1 259 64 66 VAL N N 115.135 0.20 1 260 65 67 TYR H H 8.596 0.02 1 261 65 67 TYR C C 174.152 0.20 1 262 65 67 TYR CA C 56.112 0.200 1 263 65 67 TYR CB C 40.660 0.200 1 264 65 67 TYR N N 119.470 0.20 1 265 66 68 THR H H 7.281 0.02 1 266 66 68 THR C C 173.191 0.200 1 267 66 68 THR CA C 59.677 0.200 1 268 66 68 THR CB C 68.230 0.200 1 269 66 68 THR N N 114.466 0.20 1 270 67 69 PRO CA C 62.953 0.200 1 271 68 70 ARG H H 8.211 0.02 1 272 68 70 ARG C C 176.366 0.200 1 273 68 70 ARG CA C 55.690 0.200 1 274 68 70 ARG CB C 31.000 0.200 1 275 68 70 ARG N N 120.735 0.20 1 276 69 71 CYS H H 8.461 0.02 1 277 69 71 CYS C C 176.525 0.20 1 278 69 71 CYS CA C 55.641 0.200 1 279 69 71 CYS N N 116.587 0.20 1 280 70 72 GLY H H 7.983 0.02 1 281 70 72 GLY C C 174.050 0.20 1 282 70 72 GLY CA C 46.210 0.200 1 283 70 72 GLY N N 108.710 0.20 1 284 71 73 GLN H H 8.621 0.02 1 285 71 73 GLN CA C 56.150 0.200 1 286 71 73 GLN N N 116.551 0.20 1 287 72 74 GLY H H 8.410 0.02 1 288 72 74 GLY C C 173.609 0.20 1 289 72 74 GLY CA C 45.290 0.200 1 290 72 74 GLY N N 109.670 0.20 1 291 73 75 LEU H H 8.009 0.02 1 292 73 75 LEU C C 176.196 0.200 1 293 73 75 LEU CA C 53.050 0.200 1 294 73 75 LEU CB C 45.070 0.200 1 295 73 75 LEU N N 119.751 0.20 1 296 75 77 CYS C C 174.710 0.200 1 297 75 77 CYS CA C 56.100 0.200 1 298 75 77 CYS CB C 42.465 0.200 1 299 76 78 TYR H H 8.817 0.02 1 300 76 78 TYR C C 174.394 0.200 1 301 76 78 TYR CA C 53.076 0.200 1 302 76 78 TYR N N 119.507 0.20 1 303 77 79 PRO C C 176.648 0.20 1 304 77 79 PRO CA C 63.263 0.200 1 305 77 79 PRO CB C 32.282 0.200 1 306 78 80 HIS H H 8.717 0.02 1 307 78 80 HIS C C 176.172 0.200 1 308 78 80 HIS CA C 56.880 0.200 1 309 78 80 HIS CB C 30.016 0.200 1 310 78 80 HIS N N 121.463 0.20 1 311 79 81 PRO C C 177.555 0.20 1 312 79 81 PRO CA C 63.860 0.200 1 313 79 81 PRO CB C 32.100 0.200 1 314 80 82 GLY H H 8.761 0.02 1 315 80 82 GLY C C 174.577 0.20 1 316 80 82 GLY CA C 45.630 0.200 1 317 80 82 GLY N N 110.943 0.20 1 318 81 83 SER H H 8.121 0.02 1 319 81 83 SER C C 174.849 0.20 1 320 81 83 SER CA C 59.080 0.200 1 321 81 83 SER CB C 63.930 0.200 1 322 81 83 SER N N 115.710 0.20 1 323 82 84 GLU H H 8.695 0.02 1 324 82 84 GLU C C 176.241 0.20 1 325 82 84 GLU CA C 56.994 0.200 1 326 82 84 GLU CB C 29.920 0.200 1 327 82 84 GLU N N 123.436 0.20 1 328 83 85 LEU H H 8.232 0.02 1 329 83 85 LEU CA C 52.938 0.200 1 330 83 85 LEU CB C 42.170 0.200 1 331 83 85 LEU N N 122.065 0.20 1 332 84 86 PRO C C 175.066 0.200 1 333 84 86 PRO CA C 62.431 0.200 1 334 84 86 PRO CB C 32.864 0.200 1 335 85 87 LEU H H 7.955 0.02 1 336 85 87 LEU C C 172.169 0.20 1 337 85 87 LEU CA C 56.669 0.200 1 338 85 87 LEU CB C 43.650 0.200 1 339 85 87 LEU N N 131.930 0.20 1 340 86 88 GLN C C 175.035 0.20 1 341 86 88 GLN CA C 56.085 0.200 1 342 86 88 GLN CB C 33.323 0.200 1 343 87 89 ALA H H 8.052 0.02 1 344 87 89 ALA CA C 52.630 0.200 1 345 87 89 ALA CB C 19.600 0.200 1 346 87 89 ALA N N 120.570 0.20 1 347 88 90 LEU H H 8.327 0.02 1 348 88 90 LEU CA C 56.635 0.200 1 349 88 90 LEU N N 120.585 0.20 1 350 89 91 VAL H H 8.193 0.02 1 351 89 91 VAL C C 175.065 0.20 1 352 89 91 VAL CA C 62.480 0.200 1 353 89 91 VAL CB C 32.870 0.200 1 354 89 91 VAL N N 122.146 0.20 1 355 90 92 MET H H 8.170 0.02 1 356 90 92 MET C C 176.936 0.20 1 357 90 92 MET CA C 55.298 0.200 1 358 90 92 MET N N 125.320 0.20 1 359 91 93 GLY H H 9.195 0.02 1 360 91 93 GLY C C 171.487 0.20 1 361 91 93 GLY CA C 44.490 0.200 1 362 91 93 GLY N N 108.486 0.20 1 363 92 94 GLU H H 9.768 0.02 1 364 92 94 GLU CA C 57.731 0.200 1 365 92 94 GLU CB C 28.780 0.200 1 366 92 94 GLU N N 119.690 0.20 1 367 93 95 GLY H H 8.953 0.02 1 368 93 95 GLY C C 174.109 0.20 1 369 93 95 GLY CA C 45.310 0.200 1 370 93 95 GLY N N 112.1531 0.20 1 371 94 96 THR H H 8.617 0.02 1 372 94 96 THR C C 175.457 0.20 1 373 94 96 THR CA C 61.343 0.200 1 374 94 96 THR N N 113.508 0.20 1 375 95 97 CYS H H 8.689 0.02 1 376 95 97 CYS C C 175.124 0.20 1 377 95 97 CYS CA C 54.277 0.200 1 378 95 97 CYS CB C 39.367 0.200 1 379 95 97 CYS N N 122.590 0.20 1 380 96 98 GLU H H 9.525 0.02 1 381 96 98 GLU C C 175.664 0.20 1 382 96 98 GLU CA C 54.090 0.200 1 383 96 98 GLU CB C 32.560 0.200 1 384 96 98 GLU N N 122.970 0.20 1 385 97 99 LYS H H 9.215 0.02 1 386 97 99 LYS C C 176.203 0.20 1 387 97 99 LYS CA C 57.353 0.200 1 388 97 99 LYS CB C 32.890 0.200 1 389 97 99 LYS N N 123.042 0.20 1 390 98 100 ARG H H 7.947 0.02 1 391 98 100 ARG N N 127.540 0.20 1 392 98 100 ARG C C 180.634 0.20 1 393 98 100 ARG CA C 57.925 0.200 1 394 98 100 ARG CB C 31.738 0.200 1 stop_ save_