data_19179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ORF PP_3909 from Pseudomonas putida KT2440 encoding a protein similar to bacteriophage lambda ea8.5 ; _BMRB_accession_number 19179 _BMRB_flat_file_name bmr19179.str _Entry_type original _Submission_date 2013-04-18 _Accession_date 2013-04-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The structure of this gene product is a hybrid of a homeodomain fold and a helix-strand-strand zinc binding domain. Disordered N-terminal amino acids 1-17. Disordered loop in the homeodomain helix-turn-helix spanning amino acids 59-66. Disordered C-terminal amino acids 91-92.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Donaldson Logan W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 395 "13C chemical shifts" 307 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-09 update BMRB 'update entry citation' 2013-06-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19178 'MS1 (Enteropathogenic Escherichia coli 0111:H- str. 11128 ORF EC0111_1119 similar to bacteriophage lambda ea8.5)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Solution Structures of Two Prophage Homologues of the Bacteriophage Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23672713 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kwan Jamie J. . 2 Smirnova Ekaterina . . 3 Khazai Shahin . . 4 Evanics Ferenc . . 5 Maxwell Karen L. . 6 Donaldson Logan W. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 52 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3612 _Page_last 3614 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mol1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mol1 $mol1 'Zinc ions' $entity_ZN stop_ _System_molecular_weight 10196.0386 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mol1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mol1 _Molecular_mass 10196.0386 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MGGIKRLMEEEDAKYSEAVY IAIEAGTLAECEVHEGTYFS DSGDISEAEELAREKFEKGE VSNFDDVEELVKKVVAVCEE LGAEECFSCDFD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 GLY 4 4 ILE 5 5 LYS 6 6 ARG 7 7 LEU 8 8 MET 9 9 GLU 10 10 GLU 11 11 GLU 12 12 ASP 13 13 ALA 14 14 LYS 15 15 TYR 16 16 SER 17 17 GLU 18 18 ALA 19 19 VAL 20 20 TYR 21 21 ILE 22 22 ALA 23 23 ILE 24 24 GLU 25 25 ALA 26 26 GLY 27 27 THR 28 28 LEU 29 29 ALA 30 30 GLU 31 31 CYS 32 32 GLU 33 33 VAL 34 34 HIS 35 35 GLU 36 36 GLY 37 37 THR 38 38 TYR 39 39 PHE 40 40 SER 41 41 ASP 42 42 SER 43 43 GLY 44 44 ASP 45 45 ILE 46 46 SER 47 47 GLU 48 48 ALA 49 49 GLU 50 50 GLU 51 51 LEU 52 52 ALA 53 53 ARG 54 54 GLU 55 55 LYS 56 56 PHE 57 57 GLU 58 58 LYS 59 59 GLY 60 60 GLU 61 61 VAL 62 62 SER 63 63 ASN 64 64 PHE 65 65 ASP 66 66 ASP 67 67 VAL 68 68 GLU 69 69 GLU 70 70 LEU 71 71 VAL 72 72 LYS 73 73 LYS 74 74 VAL 75 75 VAL 76 76 ALA 77 77 VAL 78 78 CYS 79 79 GLU 80 80 GLU 81 81 LEU 82 82 GLY 83 83 ALA 84 84 GLU 85 85 GLU 86 86 CYS 87 87 PHE 88 88 SER 89 89 CYS 90 90 ASP 91 91 PHE 92 92 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2M7B "Orf Pp_3909 From Pseudomonas Putida Kt2440 Encoding A Protein Similar To Bacteriophage Lambda Ea8.5" 100.00 94 100.00 100.00 4.63e-55 GB AAN69503 "hypothetical protein PP_3909 [Pseudomonas putida KT2440]" 100.00 92 100.00 100.00 4.71e-55 GB KMU94681 "hypothetical protein AC138_17825 [Pseudomonas putida]" 100.00 92 100.00 100.00 4.71e-55 GB KMY31145 "hypothetical protein AA993_19965 [Pseudomonas putida]" 100.00 92 100.00 100.00 4.71e-55 REF NP_746039 "hypothetical protein PP_3909 [Pseudomonas putida KT2440]" 100.00 92 100.00 100.00 4.71e-55 REF WP_010954735 "hypothetical protein [Pseudomonas putida]" 100.00 92 100.00 100.00 4.71e-55 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $mol1 g-proteobacteria 303 Bacteria . Pseudomonas putida KT2440 PP_3909 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 $mol1 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pGEX4T2 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 $mol1 0.6 mM '[U-99% 13C; U-99% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model NMRS _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_CBHD_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBHD' _Sample_label $sample_1 save_ save_2D_CBHE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBHE' _Sample_label $sample_1 save_ save_3D_(H)C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 7.800 . pH pressure 1.000 . atm temperature 293.000 . 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 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D H(CCO)NH' '2D CBHD' '2D CBHE' '3D (H)C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name mol1 _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 4 4 ILE HG2 H 0.936 . 1 2 4 4 ILE HD1 H 0.892 . 1 3 4 4 ILE CB C 38.833 . 1 4 4 4 ILE CG1 C 27.236 . 1 5 4 4 ILE CG2 C 17.729 . 1 6 4 4 ILE CD1 C 12.994 . 1 7 13 13 ALA C C 180.627 . 1 8 14 14 LYS H H 7.986 . 1 9 14 14 LYS N N 118.085 . 1 10 15 15 TYR HD1 H 7.154 . 3 11 15 15 TYR HD2 H 7.154 . 3 12 15 15 TYR HE1 H 6.859 . 3 13 15 15 TYR HE2 H 6.859 . 3 14 15 15 TYR CB C 38.333 . 1 15 15 15 TYR CD1 C 133.258 . 3 16 15 15 TYR CD2 C 133.258 . 3 17 15 15 TYR CE1 C 118.442 . 3 18 15 15 TYR CE2 C 118.442 . 3 19 17 17 GLU C C 178.498 . 1 20 18 18 ALA H H 8.085 . 1 21 18 18 ALA HB H 1.350 . 1 22 18 18 ALA CA C 55.374 . 1 23 18 18 ALA CB C 18.425 . 1 24 18 18 ALA N N 117.689 . 1 25 19 19 VAL HB H 1.810 . 1 26 19 19 VAL HG1 H 0.399 . 2 27 19 19 VAL HG2 H -0.092 . 2 28 19 19 VAL C C 177.450 . 1 29 19 19 VAL CA C 66.812 . 1 30 19 19 VAL CB C 31.269 . 1 31 19 19 VAL CG1 C 23.807 . 2 32 19 19 VAL CG2 C 20.232 . 2 33 20 20 TYR H H 8.138 . 1 34 20 20 TYR HA H 4.125 . 1 35 20 20 TYR HB2 H 3.153 . 2 36 20 20 TYR HB3 H 3.261 . 2 37 20 20 TYR HD1 H 7.260 . 3 38 20 20 TYR HD2 H 7.260 . 3 39 20 20 TYR HE1 H 6.831 . 3 40 20 20 TYR HE2 H 6.831 . 3 41 20 20 TYR C C 179.914 . 1 42 20 20 TYR CA C 62.330 . 1 43 20 20 TYR CB C 37.182 . 1 44 20 20 TYR CD1 C 133.031 . 3 45 20 20 TYR CD2 C 133.031 . 3 46 20 20 TYR CE1 C 118.015 . 3 47 20 20 TYR CE2 C 118.015 . 3 48 20 20 TYR N N 116.865 . 1 49 21 21 ILE H H 8.112 . 1 50 21 21 ILE HA H 3.658 . 1 51 21 21 ILE HB H 1.895 . 1 52 21 21 ILE HG12 H 0.939 . 2 53 21 21 ILE HG13 H 0.912 . 2 54 21 21 ILE HG2 H 0.784 . 1 55 21 21 ILE HD1 H 0.892 . 1 56 21 21 ILE C C 176.306 . 1 57 21 21 ILE CA C 66.099 . 1 58 21 21 ILE CB C 37.886 . 1 59 21 21 ILE CG1 C 30.468 . 1 60 21 21 ILE CG2 C 16.976 . 1 61 21 21 ILE CD1 C 14.649 . 1 62 21 21 ILE N N 122.973 . 1 63 22 22 ALA H H 7.839 . 1 64 22 22 ALA HA H 3.847 . 1 65 22 22 ALA HB H 1.321 . 1 66 22 22 ALA C C 179.987 . 1 67 22 22 ALA CA C 55.184 . 1 68 22 22 ALA CB C 18.934 . 1 69 22 22 ALA N N 122.302 . 1 70 23 23 ILE H H 8.328 . 1 71 23 23 ILE HA H 4.370 . 1 72 23 23 ILE HB H 1.740 . 1 73 23 23 ILE HG2 H 0.966 . 1 74 23 23 ILE HD1 H 0.634 . 1 75 23 23 ILE C C 180.184 . 1 76 23 23 ILE CA C 63.705 . 1 77 23 23 ILE CB C 38.342 . 1 78 23 23 ILE CG1 C 28.789 . 1 79 23 23 ILE CG2 C 18.550 . 1 80 23 23 ILE CD1 C 14.396 . 1 81 23 23 ILE N N 119.408 . 1 82 24 24 GLU H H 8.344 . 1 83 24 24 GLU HA H 3.888 . 1 84 24 24 GLU HB2 H 2.122 . 2 85 24 24 GLU HB3 H 2.082 . 2 86 24 24 GLU HG2 H 2.126 . 2 87 24 24 GLU HG3 H 2.305 . 2 88 24 24 GLU C C 178.861 . 1 89 24 24 GLU CA C 52.588 . 1 90 24 24 GLU CB C 29.086 . 1 91 24 24 GLU CG C 36.139 . 1 92 24 24 GLU N N 125.684 . 1 93 25 25 ALA H H 8.228 . 1 94 25 25 ALA HA H 4.192 . 1 95 25 25 ALA HB H 1.415 . 1 96 25 25 ALA C C 177.866 . 1 97 25 25 ALA CA C 52.460 . 1 98 25 25 ALA CB C 19.331 . 1 99 25 25 ALA N N 117.589 . 1 100 26 26 GLY H H 8.189 . 1 101 26 26 GLY HA2 H 4.275 . 2 102 26 26 GLY HA3 H 4.101 . 2 103 26 26 GLY C C 173.535 . 1 104 26 26 GLY CA C 44.787 . 1 105 26 26 GLY N N 110.573 . 1 106 27 27 THR H H 7.919 . 1 107 27 27 THR HA H 4.445 . 1 108 27 27 THR HB H 3.880 . 1 109 27 27 THR HG2 H 1.090 . 1 110 27 27 THR C C 176.521 . 1 111 27 27 THR CA C 66.568 . 1 112 27 27 THR CG2 C 22.163 . 1 113 27 27 THR N N 119.446 . 1 114 28 28 LEU H H 7.026 . 1 115 28 28 LEU HA H 5.013 . 1 116 28 28 LEU HB2 H 1.221 . 2 117 28 28 LEU HB3 H 1.173 . 2 118 28 28 LEU HG H 1.416 . 1 119 28 28 LEU HD1 H 0.768 . 2 120 28 28 LEU HD2 H 0.646 . 2 121 28 28 LEU C C 173.798 . 1 122 28 28 LEU CA C 52.000 . 1 123 28 28 LEU CB C 46.821 . 1 124 28 28 LEU CG C 26.353 . 1 125 28 28 LEU CD1 C 26.435 . 2 126 28 28 LEU CD2 C 22.483 . 2 127 28 28 LEU N N 119.632 . 1 128 29 29 ALA H H 8.856 . 1 129 29 29 ALA HA H 4.392 . 1 130 29 29 ALA HB H 0.763 . 1 131 29 29 ALA C C 173.471 . 1 132 29 29 ALA CA C 50.683 . 1 133 29 29 ALA CB C 22.970 . 1 134 29 29 ALA N N 121.053 . 1 135 30 30 GLU H H 8.244 . 1 136 30 30 GLU HA H 4.799 . 1 137 30 30 GLU HB2 H 2.341 . 1 138 30 30 GLU HB3 H 2.341 . 1 139 30 30 GLU HG2 H 2.456 . 2 140 30 30 GLU HG3 H 1.804 . 2 141 30 30 GLU C C 176.292 . 1 142 30 30 GLU CA C 53.461 . 1 143 30 30 GLU CB C 33.135 . 1 144 30 30 GLU CG C 35.421 . 1 145 30 30 GLU N N 119.234 . 1 146 31 31 CYS H H 8.586 . 1 147 31 31 CYS HA H 4.312 . 1 148 31 31 CYS HB2 H 3.028 . 2 149 31 31 CYS HB3 H 3.318 . 2 150 31 31 CYS C C 175.519 . 1 151 31 31 CYS CA C 61.544 . 1 152 31 31 CYS CB C 28.588 . 1 153 31 31 CYS N N 129.774 . 1 154 32 32 GLU H H 8.756 . 1 155 32 32 GLU HA H 4.089 . 1 156 32 32 GLU HB2 H 2.077 . 2 157 32 32 GLU HB3 H 2.086 . 2 158 32 32 GLU HG2 H 2.361 . 2 159 32 32 GLU HG3 H 2.419 . 2 160 32 32 GLU C C 177.061 . 1 161 32 32 GLU CA C 58.728 . 1 162 32 32 GLU CB C 30.433 . 1 163 32 32 GLU CG C 36.637 . 1 164 32 32 GLU N N 126.867 . 1 165 33 33 VAL H H 8.935 . 1 166 33 33 VAL HA H 3.818 . 1 167 33 33 VAL HB H 1.408 . 1 168 33 33 VAL HG1 H 0.755 . 2 169 33 33 VAL HG2 H 0.261 . 2 170 33 33 VAL C C 176.434 . 1 171 33 33 VAL CA C 64.132 . 1 172 33 33 VAL CB C 33.744 . 1 173 33 33 VAL CG1 C 21.283 . 2 174 33 33 VAL CG2 C 20.108 . 2 175 33 33 VAL N N 122.528 . 1 176 34 34 HIS H H 8.834 . 1 177 34 34 HIS HA H 4.575 . 1 178 34 34 HIS HB2 H 3.098 . 2 179 34 34 HIS HB3 H 3.027 . 2 180 34 34 HIS HD2 H 7.191 . 1 181 34 34 HIS HE1 H 7.870 . 1 182 34 34 HIS C C 173.077 . 1 183 34 34 HIS CA C 56.635 . 1 184 34 34 HIS CB C 28.789 . 1 185 34 34 HIS CD2 C 118.015 . 1 186 34 34 HIS CE1 C 138.510 . 1 187 34 34 HIS N N 126.015 . 1 188 35 35 GLU H H 7.643 . 1 189 35 35 GLU HA H 4.097 . 1 190 35 35 GLU HB2 H 1.926 . 2 191 35 35 GLU HB3 H 1.945 . 2 192 35 35 GLU HG2 H 2.228 . 2 193 35 35 GLU HG3 H 2.305 . 2 194 35 35 GLU C C 178.839 . 1 195 35 35 GLU CA C 58.068 . 1 196 35 35 GLU CB C 29.733 . 1 197 35 35 GLU CG C 35.987 . 1 198 35 35 GLU N N 122.059 . 1 199 36 36 GLY H H 10.615 . 1 200 36 36 GLY HA2 H 3.478 . 2 201 36 36 GLY HA3 H 4.116 . 2 202 36 36 GLY C C 173.165 . 1 203 36 36 GLY CA C 44.986 . 1 204 36 36 GLY N N 114.969 . 1 205 37 37 THR H H 7.669 . 1 206 37 37 THR HA H 4.466 . 1 207 37 37 THR HB H 4.463 . 1 208 37 37 THR HG2 H 1.632 . 1 209 37 37 THR C C 172.121 . 1 210 37 37 THR CA C 62.490 . 1 211 37 37 THR CB C 68.752 . 1 212 37 37 THR CG2 C 23.606 . 1 213 37 37 THR N N 116.476 . 1 214 38 38 TYR H H 8.622 . 1 215 38 38 TYR HA H 5.635 . 1 216 38 38 TYR HB2 H 2.830 . 2 217 38 38 TYR HB3 H 2.973 . 2 218 38 38 TYR HD1 H 6.919 . 3 219 38 38 TYR HD2 H 6.919 . 3 220 38 38 TYR HE1 H 6.591 . 3 221 38 38 TYR HE2 H 6.591 . 3 222 38 38 TYR C C 174.538 . 1 223 38 38 TYR CA C 56.001 . 1 224 38 38 TYR CB C 42.611 . 1 225 38 38 TYR CD1 C 133.031 . 3 226 38 38 TYR CD2 C 133.031 . 3 227 38 38 TYR CE1 C 118.015 . 3 228 38 38 TYR CE2 C 118.015 . 3 229 38 38 TYR N N 124.951 . 1 230 39 39 PHE H H 8.483 . 1 231 39 39 PHE HA H 5.084 . 1 232 39 39 PHE HB2 H 2.864 . 2 233 39 39 PHE HB3 H 2.875 . 2 234 39 39 PHE HD1 H 6.943 . 3 235 39 39 PHE HD2 H 6.943 . 3 236 39 39 PHE HE1 H 7.047 . 3 237 39 39 PHE HE2 H 7.047 . 3 238 39 39 PHE C C 173.379 . 1 239 39 39 PHE CA C 55.938 . 1 240 39 39 PHE CB C 39.220 . 1 241 39 39 PHE CD1 C 133.030 . 3 242 39 39 PHE CD2 C 133.030 . 3 243 39 39 PHE N N 115.194 . 1 244 40 40 SER H H 9.519 . 1 245 40 40 SER HA H 4.341 . 1 246 40 40 SER HB2 H 3.751 . 2 247 40 40 SER HB3 H 3.767 . 2 248 40 40 SER C C 173.355 . 1 249 40 40 SER CA C 60.726 . 1 250 40 40 SER CB C 63.544 . 1 251 40 40 SER N N 114.429 . 1 252 41 41 ASP H H 8.431 . 1 253 41 41 ASP HA H 4.913 . 1 254 41 41 ASP HB2 H 2.051 . 2 255 41 41 ASP HB3 H 2.760 . 2 256 41 41 ASP C C 176.230 . 1 257 41 41 ASP CA C 53.739 . 1 258 41 41 ASP CB C 39.725 . 1 259 41 41 ASP N N 125.551 . 1 260 42 42 SER H H 9.001 . 1 261 42 42 SER HA H 4.370 . 1 262 42 42 SER HB2 H 3.770 . 2 263 42 42 SER HB3 H 4.009 . 2 264 42 42 SER C C 177.229 . 1 265 42 42 SER CA C 59.770 . 1 266 42 42 SER CB C 62.951 . 1 267 42 42 SER N N 114.674 . 1 268 43 43 GLY H H 8.261 . 1 269 43 43 GLY HA2 H 4.085 . 2 270 43 43 GLY HA3 H 3.804 . 2 271 43 43 GLY C C 172.823 . 1 272 43 43 GLY CA C 45.829 . 1 273 43 43 GLY N N 109.923 . 1 274 44 44 ASP H H 8.583 . 1 275 44 44 ASP HA H 4.741 . 1 276 44 44 ASP HB2 H 2.369 . 2 277 44 44 ASP HB3 H 3.079 . 2 278 44 44 ASP C C 176.327 . 1 279 44 44 ASP CA C 53.309 . 1 280 44 44 ASP CB C 40.067 . 1 281 44 44 ASP N N 120.029 . 1 282 45 45 ILE H H 8.589 . 1 283 45 45 ILE HA H 3.691 . 1 284 45 45 ILE HB H 1.887 . 1 285 45 45 ILE HG12 H 1.781 . 2 286 45 45 ILE HG13 H 1.768 . 2 287 45 45 ILE HG2 H 1.080 . 1 288 45 45 ILE HD1 H 0.950 . 1 289 45 45 ILE C C 177.352 . 1 290 45 45 ILE CA C 64.967 . 1 291 45 45 ILE CB C 37.813 . 1 292 45 45 ILE CG1 C 29.327 . 1 293 45 45 ILE CG2 C 18.537 . 1 294 45 45 ILE CD1 C 13.676 . 1 295 45 45 ILE N N 129.584 . 1 296 46 46 SER H H 8.275 . 1 297 46 46 SER HA H 4.338 . 1 298 46 46 SER HB2 H 3.983 . 2 299 46 46 SER HB3 H 3.999 . 2 300 46 46 SER C C 177.116 . 1 301 46 46 SER CA C 61.744 . 1 302 46 46 SER CB C 62.502 . 1 303 46 46 SER N N 117.808 . 1 304 47 47 GLU H H 7.372 . 1 305 47 47 GLU HA H 4.042 . 1 306 47 47 GLU HB2 H 2.012 . 2 307 47 47 GLU HB3 H 1.976 . 2 308 47 47 GLU HG2 H 2.249 . 2 309 47 47 GLU HG3 H 2.353 . 2 310 47 47 GLU C C 178.981 . 1 311 47 47 GLU CA C 59.418 . 1 312 47 47 GLU CB C 29.258 . 1 313 47 47 GLU CG C 36.493 . 1 314 47 47 GLU N N 121.839 . 1 315 48 48 ALA H H 6.925 . 1 316 48 48 ALA HA H 3.861 . 1 317 48 48 ALA HB H 1.440 . 1 318 48 48 ALA C C 178.641 . 1 319 48 48 ALA CA C 55.325 . 1 320 48 48 ALA CB C 17.392 . 1 321 48 48 ALA N N 122.935 . 1 322 49 49 GLU H H 8.288 . 1 323 49 49 GLU HA H 3.613 . 1 324 49 49 GLU HB2 H 2.049 . 2 325 49 49 GLU HB3 H 2.053 . 2 326 49 49 GLU HG2 H 2.291 . 2 327 49 49 GLU HG3 H 2.273 . 2 328 49 49 GLU C C 177.879 . 1 329 49 49 GLU CA C 60.322 . 1 330 49 49 GLU CB C 28.868 . 1 331 49 49 GLU CG C 36.488 . 1 332 49 49 GLU N N 118.249 . 1 333 50 50 GLU H H 8.108 . 1 334 50 50 GLU HA H 3.922 . 1 335 50 50 GLU HB2 H 2.019 . 2 336 50 50 GLU HB3 H 2.045 . 2 337 50 50 GLU HG3 H 2.316 . 1 338 50 50 GLU C C 179.532 . 1 339 50 50 GLU CA C 59.753 . 1 340 50 50 GLU CB C 29.028 . 1 341 50 50 GLU CG C 35.927 . 1 342 50 50 GLU N N 117.450 . 1 343 51 51 LEU H H 7.835 . 1 344 51 51 LEU HA H 4.307 . 1 345 51 51 LEU HB2 H 1.696 . 2 346 51 51 LEU HB3 H 1.636 . 2 347 51 51 LEU HG H 1.427 . 1 348 51 51 LEU HD1 H 1.010 . 1 349 51 51 LEU C C 178.285 . 1 350 51 51 LEU CA C 57.438 . 1 351 51 51 LEU CB C 40.766 . 1 352 51 51 LEU CG C 27.533 . 1 353 51 51 LEU CD1 C 22.873 . 2 354 51 51 LEU CD2 C 26.270 . 2 355 51 51 LEU N N 120.169 . 1 356 52 52 ALA H H 8.286 . 1 357 52 52 ALA HA H 3.795 . 1 358 52 52 ALA HB H 1.392 . 1 359 52 52 ALA C C 178.611 . 1 360 52 52 ALA CA C 55.647 . 1 361 52 52 ALA CB C 18.176 . 1 362 52 52 ALA N N 121.167 . 1 363 53 53 ARG H H 7.957 . 1 364 53 53 ARG HA H 3.727 . 1 365 53 53 ARG HB2 H 1.805 . 2 366 53 53 ARG HB3 H 1.791 . 2 367 53 53 ARG HG2 H 1.376 . 1 368 53 53 ARG HG3 H 1.376 . 1 369 53 53 ARG HD2 H 3.079 . 1 370 53 53 ARG HD3 H 3.079 . 1 371 53 53 ARG C C 179.136 . 1 372 53 53 ARG CA C 60.608 . 1 373 53 53 ARG CB C 29.520 . 1 374 53 53 ARG N N 115.092 . 1 375 54 54 GLU H H 8.089 . 1 376 54 54 GLU HA H 4.064 . 1 377 54 54 GLU HB2 H 2.191 . 2 378 54 54 GLU HB3 H 2.216 . 2 379 54 54 GLU HG2 H 2.124 . 2 380 54 54 GLU HG3 H 2.380 . 2 381 54 54 GLU C C 179.159 . 1 382 54 54 GLU CA C 59.418 . 1 383 54 54 GLU CB C 29.888 . 1 384 54 54 GLU CG C 36.015 . 1 385 54 54 GLU N N 122.263 . 1 386 55 55 LYS H H 9.118 . 1 387 55 55 LYS HA H 3.810 . 1 388 55 55 LYS HB2 H 1.736 . 2 389 55 55 LYS HB3 H 1.607 . 2 390 55 55 LYS HG2 H 1.474 . 2 391 55 55 LYS HG3 H 1.465 . 2 392 55 55 LYS HD2 H 1.328 . 1 393 55 55 LYS HD3 H 1.328 . 1 394 55 55 LYS HE2 H 2.949 . 1 395 55 55 LYS HE3 H 2.949 . 1 396 55 55 LYS C C 179.078 . 1 397 55 55 LYS CA C 59.810 . 1 398 55 55 LYS CB C 32.743 . 1 399 55 55 LYS CG C 25.599 . 1 400 55 55 LYS CD C 29.208 . 1 401 55 55 LYS CE C 41.100 . 1 402 55 55 LYS N N 118.511 . 1 403 56 56 PHE H H 8.456 . 1 404 56 56 PHE HA H 3.862 . 1 405 56 56 PHE HB2 H 3.255 . 2 406 56 56 PHE HB3 H 2.971 . 2 407 56 56 PHE HD1 H 6.996 . 3 408 56 56 PHE HD2 H 6.996 . 3 409 56 56 PHE HE1 H 7.372 . 3 410 56 56 PHE HE2 H 7.372 . 3 411 56 56 PHE CD1 C 130.937 . 3 412 56 56 PHE CD2 C 130.937 . 3 413 56 56 PHE N N 119.918 . 1 414 57 57 GLU H H 8.153 . 1 415 57 57 GLU HA H 4.128 . 1 416 57 57 GLU HB2 H 2.261 . 2 417 57 57 GLU HB3 H 2.281 . 2 418 57 57 GLU HG2 H 2.460 . 2 419 57 57 GLU HG3 H 2.453 . 2 420 57 57 GLU C C 177.889 . 1 421 57 57 GLU CA C 59.238 . 1 422 57 57 GLU CB C 29.483 . 1 423 57 57 GLU CG C 35.687 . 1 424 57 57 GLU N N 121.819 . 1 425 58 58 LYS H H 7.684 . 1 426 58 58 LYS HA H 4.267 . 1 427 58 58 LYS HB2 H 1.729 . 2 428 58 58 LYS HB3 H 2.026 . 2 429 58 58 LYS HG2 H 1.621 . 1 430 58 58 LYS HG3 H 1.621 . 1 431 58 58 LYS HD2 H 1.499 . 2 432 58 58 LYS HD3 H 1.506 . 2 433 58 58 LYS HE3 H 2.916 . 1 434 58 58 LYS C C 176.710 . 1 435 58 58 LYS CA C 56.742 . 1 436 58 58 LYS CB C 33.027 . 1 437 58 58 LYS N N 115.784 . 1 438 59 59 GLY H H 7.644 . 1 439 59 59 GLY HA2 H 3.942 . 2 440 59 59 GLY HA3 H 4.065 . 2 441 59 59 GLY C C 175.969 . 1 442 59 59 GLY CA C 46.330 . 1 443 59 59 GLY N N 110.421 . 1 444 60 60 GLU H H 8.008 . 1 445 60 60 GLU HA H 4.339 . 1 446 60 60 GLU HB2 H 2.318 . 2 447 60 60 GLU HB3 H 1.668 . 2 448 60 60 GLU HG2 H 2.150 . 2 449 60 60 GLU HG3 H 2.103 . 2 450 60 60 GLU C C 175.359 . 1 451 60 60 GLU CA C 55.533 . 1 452 60 60 GLU CB C 30.356 . 1 453 60 60 GLU CG C 36.097 . 1 454 60 60 GLU N N 117.714 . 1 455 61 61 VAL H H 7.745 . 1 456 61 61 VAL HA H 4.522 . 1 457 61 61 VAL HB H 2.164 . 1 458 61 61 VAL HG1 H 0.892 . 2 459 61 61 VAL HG2 H 1.317 . 2 460 61 61 VAL C C 176.175 . 1 461 61 61 VAL CA C 61.267 . 1 462 61 61 VAL CB C 33.686 . 1 463 61 61 VAL CG2 C 23.457 . 1 464 61 61 VAL N N 120.144 . 1 465 62 62 SER H H 11.396 . 1 466 62 62 SER HA H 4.644 . 1 467 62 62 SER HB2 H 3.788 . 2 468 62 62 SER HB3 H 3.756 . 2 469 62 62 SER C C 176.781 . 1 470 62 62 SER CA C 60.796 . 1 471 62 62 SER CB C 65.061 . 1 472 62 62 SER N N 126.283 . 1 473 63 63 ASN H H 10.333 . 1 474 63 63 ASN HA H 4.732 . 1 475 63 63 ASN HB2 H 2.138 . 2 476 63 63 ASN HB3 H 2.525 . 2 477 63 63 ASN HD21 H 7.193 . 1 478 63 63 ASN HD22 H 7.376 . 1 479 63 63 ASN C C 172.632 . 1 480 63 63 ASN CA C 54.586 . 1 481 63 63 ASN CB C 39.772 . 1 482 63 63 ASN N N 118.526 . 1 483 63 63 ASN ND2 N 118.145 . 1 484 64 64 PHE H H 6.971 . 1 485 64 64 PHE HA H 4.866 . 1 486 64 64 PHE HB2 H 2.687 . 2 487 64 64 PHE HB3 H 3.039 . 2 488 64 64 PHE HD1 H 7.164 . 3 489 64 64 PHE HD2 H 7.164 . 3 490 64 64 PHE HE1 H 7.063 . 3 491 64 64 PHE HE2 H 7.063 . 3 492 64 64 PHE C C 174.310 . 1 493 64 64 PHE CA C 56.626 . 1 494 64 64 PHE CB C 42.883 . 1 495 64 64 PHE N N 112.992 . 1 496 65 65 ASP HA H 4.888 . 1 497 65 65 ASP HB2 H 2.705 . 2 498 65 65 ASP HB3 H 2.866 . 2 499 65 65 ASP C C 175.049 . 1 500 65 65 ASP CA C 53.647 . 1 501 65 65 ASP CB C 41.367 . 1 502 66 66 ASP H H 7.413 . 1 503 66 66 ASP HA H 4.861 . 1 504 66 66 ASP HB2 H 2.632 . 2 505 66 66 ASP HB3 H 2.850 . 2 506 66 66 ASP C C 175.858 . 1 507 66 66 ASP CA C 52.663 . 1 508 66 66 ASP CB C 44.261 . 1 509 66 66 ASP N N 119.568 . 1 510 67 67 VAL H H 8.298 . 1 511 67 67 VAL HA H 2.982 . 1 512 67 67 VAL HB H 0.602 . 1 513 67 67 VAL HG1 H 0.724 . 2 514 67 67 VAL HG2 H 0.727 . 2 515 67 67 VAL C C 175.173 . 1 516 67 67 VAL CA C 64.211 . 1 517 67 67 VAL CB C 30.848 . 1 518 67 67 VAL CG1 C 19.256 . 2 519 67 67 VAL CG2 C 23.433 . 2 520 67 67 VAL N N 127.826 . 1 521 68 68 GLU H H 7.909 . 1 522 68 68 GLU HA H 4.049 . 1 523 68 68 GLU HB2 H 1.999 . 2 524 68 68 GLU HB3 H 1.988 . 2 525 68 68 GLU HG2 H 2.234 . 2 526 68 68 GLU HG3 H 2.444 . 2 527 68 68 GLU C C 180.052 . 1 528 68 68 GLU CA C 57.858 . 1 529 68 68 GLU CB C 27.404 . 1 530 68 68 GLU CG C 35.441 . 1 531 68 68 GLU N N 120.580 . 1 532 69 69 GLU H H 7.669 . 1 533 69 69 GLU HA H 3.932 . 1 534 69 69 GLU HB2 H 2.419 . 2 535 69 69 GLU HB3 H 2.238 . 2 536 69 69 GLU HG2 H 2.344 . 2 537 69 69 GLU HG3 H 2.590 . 2 538 69 69 GLU C C 179.095 . 1 539 69 69 GLU CA C 58.987 . 1 540 69 69 GLU CB C 29.520 . 1 541 69 69 GLU CG C 36.015 . 1 542 69 69 GLU N N 121.347 . 1 543 70 70 LEU H H 7.184 . 1 544 70 70 LEU HA H 2.945 . 1 545 70 70 LEU HB2 H 0.569 . 2 546 70 70 LEU HB3 H 1.812 . 2 547 70 70 LEU HD1 H 0.127 . 2 548 70 70 LEU HD2 H 0.077 . 2 549 70 70 LEU C C 177.014 . 1 550 70 70 LEU CA C 57.479 . 1 551 70 70 LEU CB C 40.244 . 1 552 70 70 LEU CG C 29.327 . 1 553 70 70 LEU CD1 C 26.760 . 2 554 70 70 LEU CD2 C 21.865 . 2 555 70 70 LEU N N 120.330 . 1 556 71 71 VAL H H 8.262 . 1 557 71 71 VAL HA H 3.070 . 1 558 71 71 VAL HB H 2.011 . 1 559 71 71 VAL HG1 H 0.842 . 2 560 71 71 VAL HG2 H 0.926 . 2 561 71 71 VAL C C 177.049 . 1 562 71 71 VAL CA C 67.888 . 1 563 71 71 VAL CB C 31.395 . 1 564 71 71 VAL CG1 C 21.553 . 2 565 71 71 VAL CG2 C 23.976 . 2 566 71 71 VAL N N 118.625 . 1 567 72 72 LYS H H 7.791 . 1 568 72 72 LYS HA H 3.837 . 1 569 72 72 LYS HB2 H 1.833 . 2 570 72 72 LYS HB3 H 1.821 . 2 571 72 72 LYS HG2 H 1.621 . 2 572 72 72 LYS HG3 H 1.611 . 2 573 72 72 LYS HD2 H 1.417 . 2 574 72 72 LYS HD3 H 1.409 . 2 575 72 72 LYS HE2 H 2.941 . 1 576 72 72 LYS HE3 H 2.941 . 1 577 72 72 LYS C C 179.439 . 1 578 72 72 LYS CA C 59.954 . 1 579 72 72 LYS CB C 32.619 . 1 580 72 72 LYS CG C 26.253 . 1 581 72 72 LYS CD C 29.309 . 1 582 72 72 LYS CE C 42.068 . 1 583 72 72 LYS N N 116.770 . 1 584 73 73 LYS H H 7.796 . 1 585 73 73 LYS HA H 4.216 . 1 586 73 73 LYS HB2 H 1.991 . 2 587 73 73 LYS HB3 H 2.121 . 2 588 73 73 LYS HG2 H 1.786 . 2 589 73 73 LYS HG3 H 1.822 . 2 590 73 73 LYS HD2 H 1.531 . 2 591 73 73 LYS HD3 H 1.559 . 2 592 73 73 LYS C C 177.539 . 1 593 73 73 LYS CA C 57.324 . 1 594 73 73 LYS CB C 31.906 . 1 595 73 73 LYS CG C 24.581 . 1 596 73 73 LYS CD C 28.949 . 1 597 73 73 LYS N N 121.221 . 1 598 74 74 VAL H H 8.445 . 1 599 74 74 VAL HA H 3.415 . 1 600 74 74 VAL HB H 2.099 . 1 601 74 74 VAL HG1 H 0.700 . 2 602 74 74 VAL HG2 H 0.868 . 2 603 74 74 VAL C C 177.638 . 1 604 74 74 VAL CA C 66.863 . 1 605 74 74 VAL CG1 C 22.517 . 2 606 74 74 VAL CG2 C 23.477 . 2 607 74 74 VAL N N 119.691 . 1 608 75 75 VAL H H 8.521 . 1 609 75 75 VAL HA H 3.352 . 1 610 75 75 VAL HB H 1.981 . 1 611 75 75 VAL HG1 H 0.865 . 2 612 75 75 VAL HG2 H 0.936 . 2 613 75 75 VAL C C 177.621 . 1 614 75 75 VAL CA C 67.759 . 1 615 75 75 VAL CB C 29.156 . 1 616 75 75 VAL CG1 C 20.989 . 2 617 75 75 VAL CG2 C 21.880 . 2 618 75 75 VAL N N 120.095 . 1 619 76 76 ALA H H 7.839 . 1 620 76 76 ALA HA H 4.191 . 1 621 76 76 ALA HB H 1.580 . 1 622 76 76 ALA C C 181.968 . 1 623 76 76 ALA CA C 55.481 . 1 624 76 76 ALA CB C 18.395 . 1 625 76 76 ALA N N 120.276 . 1 626 77 77 VAL H H 8.662 . 1 627 77 77 VAL HA H 4.018 . 1 628 77 77 VAL HB H 1.900 . 1 629 77 77 VAL HG1 H 0.570 . 2 630 77 77 VAL HG2 H 0.855 . 2 631 77 77 VAL C C 178.133 . 1 632 77 77 VAL CA C 65.530 . 1 633 77 77 VAL CB C 30.943 . 1 634 77 77 VAL CG1 C 21.152 . 2 635 77 77 VAL CG2 C 19.517 . 2 636 77 77 VAL N N 114.746 . 1 637 78 78 CYS H H 7.740 . 1 638 78 78 CYS HA H 3.991 . 1 639 78 78 CYS HB2 H 2.430 . 2 640 78 78 CYS HB3 H 3.126 . 2 641 78 78 CYS C C 177.621 . 1 642 78 78 CYS CA C 64.776 . 1 643 78 78 CYS CB C 27.340 . 1 644 78 78 CYS N N 119.096 . 1 645 79 79 GLU H H 8.106 . 1 646 79 79 GLU HA H 4.036 . 1 647 79 79 GLU HB2 H 2.171 . 2 648 79 79 GLU HB3 H 2.010 . 2 649 79 79 GLU HG2 H 2.085 . 2 650 79 79 GLU HG3 H 2.527 . 2 651 79 79 GLU C C 179.135 . 1 652 79 79 GLU CA C 58.900 . 1 653 79 79 GLU CB C 29.710 . 1 654 79 79 GLU N N 118.797 . 1 655 80 80 GLU H H 8.167 . 1 656 80 80 GLU HA H 3.621 . 1 657 80 80 GLU HB2 H 2.056 . 1 658 80 80 GLU HB3 H 2.056 . 1 659 80 80 GLU C C 177.433 . 1 660 80 80 GLU CA C 58.711 . 1 661 80 80 GLU CB C 30.658 . 1 662 80 80 GLU N N 119.483 . 1 663 81 81 LEU H H 8.145 . 1 664 81 81 LEU HA H 4.652 . 1 665 81 81 LEU HB2 H 1.564 . 2 666 81 81 LEU HB3 H 1.783 . 2 667 81 81 LEU HG H 1.805 . 1 668 81 81 LEU HD1 H 0.661 . 2 669 81 81 LEU HD2 H 0.974 . 2 670 81 81 LEU C C 177.355 . 1 671 81 81 LEU CA C 54.409 . 1 672 81 81 LEU CB C 41.453 . 1 673 81 81 LEU CG C 26.935 . 1 674 81 81 LEU CD1 C 26.435 . 2 675 81 81 LEU CD2 C 22.241 . 2 676 81 81 LEU N N 117.475 . 1 677 82 82 GLY H H 7.218 . 1 678 82 82 GLY HA2 H 3.612 . 2 679 82 82 GLY HA3 H 4.035 . 2 680 82 82 GLY C C 175.024 . 1 681 82 82 GLY CA C 47.639 . 1 682 82 82 GLY N N 112.498 . 1 683 83 83 ALA H H 8.202 . 1 684 83 83 ALA HA H 4.501 . 1 685 83 83 ALA HB H 1.748 . 1 686 83 83 ALA C C 177.567 . 1 687 83 83 ALA CA C 52.104 . 1 688 83 83 ALA CB C 20.574 . 1 689 83 83 ALA N N 126.068 . 1 690 84 84 GLU H H 9.004 . 1 691 84 84 GLU HA H 4.252 . 1 692 84 84 GLU HB2 H 2.193 . 2 693 84 84 GLU HB3 H 2.061 . 2 694 84 84 GLU HG3 H 2.370 . 1 695 84 84 GLU C C 175.915 . 1 696 84 84 GLU CA C 58.671 . 1 697 84 84 GLU CB C 30.666 . 1 698 84 84 GLU CG C 36.731 . 1 699 84 84 GLU N N 118.661 . 1 700 85 85 GLU H H 7.318 . 1 701 85 85 GLU HA H 3.881 . 1 702 85 85 GLU HG2 H 1.939 . 2 703 85 85 GLU HG3 H 1.595 . 2 704 85 85 GLU C C 173.815 . 1 705 85 85 GLU CA C 53.657 . 1 706 85 85 GLU CB C 32.364 . 1 707 85 85 GLU CG C 34.211 . 1 708 85 85 GLU N N 111.162 . 1 709 86 86 CYS H H 8.035 . 1 710 86 86 CYS HA H 4.078 . 1 711 86 86 CYS HB2 H 2.644 . 2 712 86 86 CYS HB3 H 2.783 . 2 713 86 86 CYS C C 177.088 . 1 714 86 86 CYS CA C 59.470 . 1 715 86 86 CYS CB C 29.441 . 1 716 86 86 CYS N N 122.106 . 1 717 87 87 PHE H H 8.292 . 1 718 87 87 PHE HA H 4.492 . 1 719 87 87 PHE HB2 H 3.218 . 2 720 87 87 PHE HB3 H 3.184 . 2 721 87 87 PHE HD1 H 6.961 . 3 722 87 87 PHE HD2 H 6.961 . 3 723 87 87 PHE HE1 H 7.286 . 3 724 87 87 PHE HE2 H 7.286 . 3 725 87 87 PHE C C 176.921 . 1 726 87 87 PHE CA C 59.597 . 1 727 87 87 PHE CB C 38.939 . 1 728 87 87 PHE CD1 C 132.965 . 3 729 87 87 PHE CD2 C 132.965 . 3 730 87 87 PHE CE1 C 131.496 . 3 731 87 87 PHE CE2 C 131.496 . 3 732 87 87 PHE N N 129.406 . 1 733 88 88 SER H H 8.436 . 1 734 88 88 SER HA H 4.131 . 1 735 88 88 SER HB2 H 2.430 . 2 736 88 88 SER HB3 H 2.651 . 2 737 88 88 SER C C 174.940 . 1 738 88 88 SER CA C 60.832 . 1 739 88 88 SER CB C 62.143 . 1 740 88 88 SER N N 118.356 . 1 741 89 89 CYS H H 7.699 . 1 742 89 89 CYS HA H 4.113 . 1 743 89 89 CYS HB2 H 2.725 . 2 744 89 89 CYS HB3 H 2.783 . 2 745 89 89 CYS C C 174.660 . 1 746 89 89 CYS CA C 63.763 . 1 747 89 89 CYS CB C 30.435 . 1 748 89 89 CYS N N 125.476 . 1 749 90 90 ASP H H 7.569 . 1 750 90 90 ASP HA H 4.517 . 1 751 90 90 ASP HB2 H 2.957 . 2 752 90 90 ASP HB3 H 2.990 . 2 753 90 90 ASP C C 175.429 . 1 754 90 90 ASP CA C 54.042 . 1 755 90 90 ASP CB C 42.007 . 1 756 90 90 ASP N N 119.756 . 1 757 91 91 PHE H H 7.910 . 1 758 91 91 PHE HA H 4.629 . 1 759 91 91 PHE HB2 H 2.934 . 2 760 91 91 PHE HB3 H 3.234 . 2 761 91 91 PHE HD1 H 7.230 . 3 762 91 91 PHE HD2 H 7.230 . 3 763 91 91 PHE HE1 H 7.073 . 3 764 91 91 PHE HE2 H 7.073 . 3 765 91 91 PHE C C 174.893 . 1 766 91 91 PHE CA C 57.260 . 1 767 91 91 PHE CB C 39.545 . 1 768 91 91 PHE CD1 C 131.637 . 3 769 91 91 PHE CD2 C 131.637 . 3 770 91 91 PHE CE1 C 133.133 . 3 771 91 91 PHE CE2 C 133.133 . 3 772 91 91 PHE N N 120.531 . 1 773 92 92 ASP H H 7.971 . 1 774 92 92 ASP C C 180.884 . 1 775 92 92 ASP CA C 56.061 . 1 776 92 92 ASP CB C 42.168 . 1 777 92 92 ASP N N 126.836 . 1 stop_ save_ save_peak_list _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-15N HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $sample_1 _Sample_conditions_label $condition_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list >> _Spectral_peak_list.Entry_ID 19179 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $condition_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 3827.24072266 . . . 19179 1 >> 2 N 15 15N . 1350.00000000 . . . 19179 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 19179 1 >> 2 1.0 . 19179 1 >> 3 1.0 . 19179 1 >> 4 1.0 . 19179 1 >> 5 1.0 . 19179 1 >> 6 1.0 . 19179 1 >> 7 1.0 . 19179 1 >> 8 1.0 . 19179 1 >> 9 1.0 . 19179 1 >> 10 1.0 . 19179 1 >> 11 1.0 . 19179 1 >> 12 1.0 . 19179 1 >> 13 1.0 . 19179 1 >> 14 1.0 . 19179 1 >> 15 1.0 . 19179 1 >> 16 1.0 . 19179 1 >> 17 1.0 . 19179 1 >> 18 1.0 . 19179 1 >> 19 1.0 . 19179 1 >> 20 1.0 . 19179 1 >> 21 1.0 . 19179 1 >> 22 1.0 . 19179 1 >> 23 1.0 . 19179 1 >> 24 1.0 . 19179 1 >> 25 1.0 . 19179 1 >> 26 1.0 . 19179 1 >> 27 1.0 . 19179 1 >> 28 1.0 . 19179 1 >> 29 1.0 . 19179 1 >> 30 1.0 . 19179 1 >> 31 1.0 . 19179 1 >> 32 1.0 . 19179 1 >> 33 1.0 . 19179 1 >> 34 1.0 . 19179 1 >> 35 1.0 . 19179 1 >> 36 1.0 . 19179 1 >> 37 1.0 . 19179 1 >> 38 1.0 . 19179 1 >> 39 1.0 . 19179 1 >> 40 1.0 . 19179 1 >> 41 1.0 . 19179 1 >> 42 1.0 . 19179 1 >> 43 1.0 . 19179 1 >> 44 1.0 . 19179 1 >> 45 1.0 . 19179 1 >> 46 1.0 . 19179 1 >> 47 1.0 . 19179 1 >> 48 1.0 . 19179 1 >> 49 1.0 . 19179 1 >> 50 1.0 . 19179 1 >> 51 1.0 . 19179 1 >> 52 1.0 . 19179 1 >> 53 1.0 . 19179 1 >> 54 1.0 . 19179 1 >> 55 1.0 . 19179 1 >> 56 1.0 . 19179 1 >> 57 1.0 . 19179 1 >> 58 1.0 . 19179 1 >> 59 1.0 . 19179 1 >> 60 1.0 . 19179 1 >> 61 1.0 . 19179 1 >> 62 1.0 . 19179 1 >> 63 1.0 . 19179 1 >> 64 1.0 . 19179 1 >> 65 1.0 . 19179 1 >> 66 1.0 . 19179 1 >> 67 1.0 . 19179 1 >> 68 1.0 . 19179 1 >> 69 1.0 . 19179 1 >> 70 1.0 . 19179 1 >> 71 1.0 . 19179 1 >> 72 1.0 . 19179 1 >> 73 1.0 . 19179 1 >> 74 1.0 . 19179 1 >> 75 1.0 . 19179 1 >> 76 1.0 . 19179 1 >> 77 1.0 . 19179 1 >> 78 1.0 . 19179 1 >> 79 1.0 . 19179 1 >> 80 1.0 . 19179 1 >> 81 1.0 . 19179 1 >> 82 1.0 . 19179 1 >> 83 1.0 . 19179 1 >> 84 1.0 . 19179 1 >> 85 1.0 . 19179 1 >> 86 1.0 . 19179 1 >> 87 1.0 . 19179 1 >> 88 1.0 . 19179 1 >> 89 1.0 . 19179 1 >> 90 1.0 . 19179 1 >> 91 1.0 . 19179 1 >> 92 1.0 . 19179 1 >> 93 1.0 . 19179 1 >> 94 1.0 . 19179 1 >> 95 1.0 . 19179 1 >> 96 1.0 . 19179 1 >> 97 1.0 . 19179 1 >> 98 1.0 . 19179 1 >> 99 1.0 . 19179 1 >> 100 1.0 . 19179 1 >> 101 1.0 . 19179 1 >> 102 1.0 . 19179 1 >> 103 1.0 . 19179 1 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 38601.84375000 . height 19179 1 >> 1 214265.91015600 . volume 19179 1 >> 2 64185.50000000 . height 19179 1 >> 2 337897.89257800 . volume 19179 1 >> 3 44328.58984380 . height 19179 1 >> 3 238476.08105500 . volume 19179 1 >> 4 49682.30468750 . height 19179 1 >> 4 268469.02978500 . volume 19179 1 >> 5 76231.38281250 . height 19179 1 >> 5 386743.05273400 . volume 19179 1 >> 6 101479.60156200 . height 19179 1 >> 6 480275.74218800 . volume 19179 1 >> 7 63872.89453120 . height 19179 1 >> 7 310292.22656200 . volume 19179 1 >> 8 106699.03906200 . height 19179 1 >> 8 542465.43164100 . volume 19179 1 >> 9 53949.39453120 . height 19179 1 >> 9 271730.49511700 . volume 19179 1 >> 10 59135.95312500 . height 19179 1 >> 10 300941.60449200 . volume 19179 1 >> 11 66765.15625000 . height 19179 1 >> 11 331628.23046900 . volume 19179 1 >> 12 78511.13281250 . height 19179 1 >> 12 362992.88085900 . volume 19179 1 >> 13 58706.62500000 . height 19179 1 >> 13 287248.21093800 . volume 19179 1 >> 14 58374.85937500 . height 19179 1 >> 14 304873.27636700 . volume 19179 1 >> 15 14865.26171880 . height 19179 1 >> 15 77779.36816410 . volume 19179 1 >> 16 95397.17968750 . height 19179 1 >> 16 540774.25390600 . volume 19179 1 >> 17 57151.76953120 . height 19179 1 >> 17 449471.89550800 . volume 19179 1 >> 18 56958.76171880 . height 19179 1 >> 18 307897.62353500 . volume 19179 1 >> 19 66700.67187500 . height 19179 1 >> 19 336636.40234400 . volume 19179 1 >> 20 52273.85937500 . height 19179 1 >> 20 270165.99218800 . volume 19179 1 >> 21 102119.71093800 . height 19179 1 >> 21 513132.13281200 . volume 19179 1 >> 22 101738.23437500 . height 19179 1 >> 22 497450.32617200 . volume 19179 1 >> 23 109374.78125000 . height 19179 1 >> 23 545433.15820300 . volume 19179 1 >> 24 112454.56250000 . height 19179 1 >> 24 513448.76562500 . volume 19179 1 >> 25 50954.21093750 . height 19179 1 >> 25 279962.63378900 . volume 19179 1 >> 26 66529.75000000 . height 19179 1 >> 26 386192.85839800 . volume 19179 1 >> 27 113973.39062500 . height 19179 1 >> 27 547642.98535200 . volume 19179 1 >> 28 66402.06250000 . height 19179 1 >> 28 311609.75585900 . volume 19179 1 >> 29 80686.63281250 . height 19179 1 >> 29 389429.22168000 . volume 19179 1 >> 30 74291.90625000 . height 19179 1 >> 30 350033.37500000 . volume 19179 1 >> 31 70292.97656250 . height 19179 1 >> 31 385511.71191400 . volume 19179 1 >> 32 61534.45312500 . height 19179 1 >> 32 339557.86718800 . volume 19179 1 >> 33 99353.00781250 . height 19179 1 >> 33 536996.54296900 . volume 19179 1 >> 34 64953.82031250 . height 19179 1 >> 34 328271.03515600 . volume 19179 1 >> 35 118335.80468800 . height 19179 1 >> 35 594377.53125000 . volume 19179 1 >> 36 95206.00000000 . height 19179 1 >> 36 494025.19824200 . volume 19179 1 >> 37 84141.82031250 . height 19179 1 >> 37 464491.42187500 . volume 19179 1 >> 38 89862.87500000 . height 19179 1 >> 38 448696.45898400 . volume 19179 1 >> 39 91313.57812500 . height 19179 1 >> 39 466915.39843800 . volume 19179 1 >> 40 65042.97265620 . height 19179 1 >> 40 329084.32812500 . volume 19179 1 >> 41 97086.75781250 . height 19179 1 >> 41 456850.04882800 . volume 19179 1 >> 42 71012.32812500 . height 19179 1 >> 42 420707.52832000 . volume 19179 1 >> 43 92249.46093750 . height 19179 1 >> 43 488823.23242200 . volume 19179 1 >> 44 83485.83593750 . height 19179 1 >> 44 431127.55761700 . volume 19179 1 >> 45 85147.53906250 . height 19179 1 >> 45 461362.26074200 . volume 19179 1 >> 46 82623.55468750 . height 19179 1 >> 46 471078.92968800 . volume 19179 1 >> 47 64054.96093750 . height 19179 1 >> 47 335788.50683600 . volume 19179 1 >> 48 75385.84375000 . height 19179 1 >> 48 360776.05859400 . volume 19179 1 >> 49 87092.86718750 . height 19179 1 >> 49 485142.18945300 . volume 19179 1 >> 50 108442.04687500 . height 19179 1 >> 50 545981.33984400 . volume 19179 1 >> 51 91672.68750000 . height 19179 1 >> 51 513848.76562500 . volume 19179 1 >> 52 91143.06250000 . height 19179 1 >> 52 463902.27441400 . volume 19179 1 >> 53 65134.90625000 . height 19179 1 >> 53 341672.69726600 . volume 19179 1 >> 54 88893.63281250 . height 19179 1 >> 54 651006.56250000 . volume 19179 1 >> 55 96764.40625000 . height 19179 1 >> 55 506866.14062500 . volume 19179 1 >> 56 128251.67968800 . height 19179 1 >> 56 712708.82812500 . volume 19179 1 >> 57 36229.44921880 . height 19179 1 >> 57 250716.24023400 . volume 19179 1 >> 58 70396.61718750 . height 19179 1 >> 58 382632.89062500 . volume 19179 1 >> 59 104430.12500000 . height 19179 1 >> 59 589203.48242200 . volume 19179 1 >> 60 131233.26562500 . height 19179 1 >> 60 863884.91015600 . volume 19179 1 >> 61 118615.92187500 . height 19179 1 >> 61 624870.35937500 . volume 19179 1 >> 62 44743.84765620 . height 19179 1 >> 62 271686.49804700 . volume 19179 1 >> 63 58514.42968750 . height 19179 1 >> 63 348324.70507800 . volume 19179 1 >> 64 50272.62890620 . height 19179 1 >> 64 290265.13867200 . volume 19179 1 >> 65 65086.77343750 . height 19179 1 >> 65 340560.00390600 . volume 19179 1 >> 66 128842.49218800 . height 19179 1 >> 66 651380.49218800 . volume 19179 1 >> 67 66893.95312500 . height 19179 1 >> 67 366048.66894500 . volume 19179 1 >> 68 75492.00781250 . height 19179 1 >> 68 455961.81445300 . volume 19179 1 >> 69 117857.24218800 . height 19179 1 >> 69 728990.11328100 . volume 19179 1 >> 70 69109.64843750 . height 19179 1 >> 70 359981.40625000 . volume 19179 1 >> 71 72011.23437500 . height 19179 1 >> 71 377348.94140600 . volume 19179 1 >> 72 85187.53125000 . height 19179 1 >> 72 433094.21289100 . volume 19179 1 >> 73 51468.27734380 . height 19179 1 >> 73 328081.38183600 . volume 19179 1 >> 74 75332.98437500 . height 19179 1 >> 74 408377.16992200 . volume 19179 1 >> 75 74604.17968750 . height 19179 1 >> 75 369041.65234400 . volume 19179 1 >> 76 34565.39843750 . height 19179 1 >> 76 198996.70410200 . volume 19179 1 >> 77 80135.73437500 . height 19179 1 >> 77 424916.33203100 . volume 19179 1 >> 78 56725.55859380 . height 19179 1 >> 78 338564.97656200 . volume 19179 1 >> 79 148085.85937500 . height 19179 1 >> 79 728985.94531200 . volume 19179 1 >> 80 152854.20312500 . height 19179 1 >> 80 998238.95312500 . volume 19179 1 >> 81 126560.86718800 . height 19179 1 >> 81 903425.67187500 . volume 19179 1 >> 82 42106.61718750 . height 19179 1 >> 82 321973.10156200 . volume 19179 1 >> 83 79450.34375000 . height 19179 1 >> 83 452549.20117200 . volume 19179 1 >> 84 25702.27734380 . height 19179 1 >> 84 144178.50488300 . volume 19179 1 >> 85 100240.37500000 . height 19179 1 >> 85 742978.11328100 . volume 19179 1 >> 86 145583.35937500 . height 19179 1 >> 86 876665.59179700 . volume 19179 1 >> 87 8849.79687500 . height 19179 1 >> 87 52977.00311280 . volume 19179 1 >> 88 9244.72851562 . height 19179 1 >> 88 63770.27758790 . volume 19179 1 >> 89 13943.21875000 . height 19179 1 >> 89 84491.71435550 . volume 19179 1 >> 90 12366.76269530 . height 19179 1 >> 90 68182.13549800 . volume 19179 1 >> 91 10455.37011720 . height 19179 1 >> 91 54555.07788090 . volume 19179 1 >> 92 7102.77392578 . height 19179 1 >> 92 44668.51953120 . volume 19179 1 >> 93 11803.23632810 . height 19179 1 >> 93 59574.49560550 . volume 19179 1 >> 94 11591.83007810 . height 19179 1 >> 94 66119.54345700 . volume 19179 1 >> 95 10067.06054690 . height 19179 1 >> 95 59782.76367190 . volume 19179 1 >> 96 7321.87548828 . height 19179 1 >> 96 39417.86816410 . volume 19179 1 >> 97 5915.38671875 . height 19179 1 >> 97 29067.04956050 . volume 19179 1 >> 98 9058.20117188 . height 19179 1 >> 98 57291.40039060 . volume 19179 1 >> 99 14334.81542970 . height 19179 1 >> 99 82340.04101560 . volume 19179 1 >> 100 5844.22363281 . height 19179 1 >> 100 51901.57543950 . volume 19179 1 >> 101 8328.40136719 . height 19179 1 >> 101 53898.11627200 . volume 19179 1 >> 102 7328.85742188 . height 19179 1 >> 102 41480.13671880 . volume 19179 1 >> 103 79802.90625000 . height 19179 1 >> 103 549213.20703100 . volume 19179 1 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 11.396 . 31.7932485034 . . . . . . . . . . . 19179 1 >> 1 2 126.283 . 16.8152296543 . . . . . . . . . . . 19179 1 >> 2 1 10.333 . 25.3473511486 . . . . . . . . . . . 19179 1 >> 2 2 118.526 . 16.0877823830 . . . . . . . . . . . 19179 1 >> 3 1 10.615 . 21.7280492284 . . . . . . . . . . . 19179 1 >> 3 2 114.969 . 17.6801776886 . . . . . . . . . . . 19179 1 >> 4 1 9.519 . 20.8039223645 . . . . . . . . . . . 19179 1 >> 4 2 114.429 . 18.0218696594 . . . . . . . . . . . 19179 1 >> 5 1 6.971 . 25.0516665454 . . . . . . . . . . . 19179 1 >> 5 2 112.992 . 15.5895996094 . . . . . . . . . . . 19179 1 >> 6 1 7.318 . 19.4244808043 . . . . . . . . . . . 19179 1 >> 6 2 111.162 . 15.1326799393 . . . . . . . . . . . 19179 1 >> 7 1 9.004 . 20.3104548162 . . . . . . . . . . . 19179 1 >> 7 2 118.661 . 15.5465984344 . . . . . . . . . . . 19179 1 >> 8 1 9.118 . 23.8696479978 . . . . . . . . . . . 19179 1 >> 8 2 118.511 . 16.2307548523 . . . . . . . . . . . 19179 1 >> 9 1 9.001 . 20.2530455718 . . . . . . . . . . . 19179 1 >> 9 2 114.674 . 16.7253327370 . . . . . . . . . . . 19179 1 >> 10 1 8.935 . 22.6813306302 . . . . . . . . . . . 19179 1 >> 10 2 122.528 . 16.1292707920 . . . . . . . . . . . 19179 1 >> 11 1 8.856 . 21.9238525445 . . . . . . . . . . . 19179 1 >> 11 2 121.053 . 15.9347033501 . . . . . . . . . . . 19179 1 >> 12 1 8.756 . 18.9369521432 . . . . . . . . . . . 19179 1 >> 12 2 126.867 . 14.6812158823 . . . . . . . . . . . 19179 1 >> 13 1 8.834 . 22.1104775801 . . . . . . . . . . . 19179 1 >> 13 2 126.015 . 15.2402472496 . . . . . . . . . . . 19179 1 >> 14 1 8.622 . 23.9646701953 . . . . . . . . . . . 19179 1 >> 14 2 124.951 . 16.7516613007 . . . . . . . . . . . 19179 1 >> 16 1 8.586 . 21.8137131792 . . . . . . . . . . . 19179 1 >> 16 2 129.774 . 20.0135868788 . . . . . . . . . . . 19179 1 >> 17 1 8.589 . 21.6988946906 . . . . . . . . . . . 19179 1 >> 17 2 129.584 . 27.5845375657 . . . . . . . . . . . 19179 1 >> 18 1 8.292 . 19.5322806079 . . . . . . . . . . . 19179 1 >> 18 2 129.406 . 18.1240940094 . . . . . . . . . . . 19179 1 >> 19 1 8.189 . 23.6787037714 . . . . . . . . . . . 19179 1 >> 19 2 129.923 . 15.5818265676 . . . . . . . . . . . 19179 1 >> 20 1 8.261 . 23.5253724981 . . . . . . . . . . . 19179 1 >> 20 2 130.573 . 16.2724484503 . . . . . . . . . . . 19179 1 >> 21 1 8.298 . 20.2850795702 . . . . . . . . . . . 19179 1 >> 21 2 127.826 . 16.5054666996 . . . . . . . . . . . 19179 1 >> 22 1 7.644 . 20.8784284057 . . . . . . . . . . . 19179 1 >> 22 2 130.075 . 15.8067539334 . . . . . . . . . . . 19179 1 >> 23 1 7.971 . 46.3220615159 . . . . . . . . . . . 19179 1 >> 23 2 126.836 . 15.3557807207 . . . . . . . . . . . 19179 1 >> 25 1 8.431 . 27.9599216810 . . . . . . . . . . . 19179 1 >> 25 2 125.551 . 16.8726503849 . . . . . . . . . . . 19179 1 >> 26 1 8.344 . 20.9991857817 . . . . . . . . . . . 19179 1 >> 26 2 125.684 . 19.3067872524 . . . . . . . . . . . 19179 1 >> 27 1 8.202 . 18.2593790872 . . . . . . . . . . . 19179 1 >> 27 2 126.068 . 16.0738134384 . . . . . . . . . . . 19179 1 >> 28 1 7.699 . 20.4288726305 . . . . . . . . . . . 19179 1 >> 28 2 125.476 . 14.4702816010 . . . . . . . . . . . 19179 1 >> 29 1 7.218 . 21.1341604941 . . . . . . . . . . . 19179 1 >> 29 2 127.998 . 15.6757146120 . . . . . . . . . . . 19179 1 >> 30 1 8.483 . 20.0111708873 . . . . . . . . . . . 19179 1 >> 30 2 115.194 . 14.5336890221 . . . . . . . . . . . 19179 1 >> 31 1 8.662 . 23.5937596857 . . . . . . . . . . . 19179 1 >> 31 2 114.746 . 17.7865862846 . . . . . . . . . . . 19179 1 >> 33 1 7.791 . 22.9055686190 . . . . . . . . . . . 19179 1 >> 33 2 116.770 . 17.7698493004 . . . . . . . . . . . 19179 1 >> 34 1 7.669 . 22.4999246168 . . . . . . . . . . . 19179 1 >> 34 2 116.476 . 16.3511967659 . . . . . . . . . . . 19179 1 >> 35 1 7.684 . 20.4916808633 . . . . . . . . . . . 19179 1 >> 35 2 115.784 . 16.5625977516 . . . . . . . . . . . 19179 1 >> 36 1 7.957 . 22.3899652178 . . . . . . . . . . . 19179 1 >> 36 2 115.092 . 16.7688488960 . . . . . . . . . . . 19179 1 >> 37 1 6.925 . 24.2446977318 . . . . . . . . . . . 19179 1 >> 37 2 122.935 . 17.6928913593 . . . . . . . . . . . 19179 1 >> 38 1 7.372 . 20.2357688087 . . . . . . . . . . . 19179 1 >> 38 2 121.839 . 16.5416765213 . . . . . . . . . . . 19179 1 >> 39 1 7.184 . 23.5154743526 . . . . . . . . . . . 19179 1 >> 39 2 120.330 . 15.6600236893 . . . . . . . . . . . 19179 1 >> 40 1 7.026 . 23.1649000330 . . . . . . . . . . . 19179 1 >> 40 2 119.632 . 15.5442166328 . . . . . . . . . . . 19179 1 >> 41 1 7.569 . 19.3485350328 . . . . . . . . . . . 19179 1 >> 41 2 119.756 . 15.6200480461 . . . . . . . . . . . 19179 1 >> 42 1 7.413 . 24.1041440647 . . . . . . . . . . . 19179 1 >> 42 2 119.568 . 18.9107966423 . . . . . . . . . . . 19179 1 >> 43 1 7.839 . 22.6019654994 . . . . . . . . . . . 19179 1 >> 43 2 122.302 . 17.2940361500 . . . . . . . . . . . 19179 1 >> 44 1 7.643 . 18.6369483492 . . . . . . . . . . . 19179 1 >> 44 2 122.059 . 17.7468037605 . . . . . . . . . . . 19179 1 >> 45 1 7.669 . 24.0262186641 . . . . . . . . . . . 19179 1 >> 45 2 121.347 . 17.3841905594 . . . . . . . . . . . 19179 1 >> 46 1 7.796 . 22.8145056797 . . . . . . . . . . . 19179 1 >> 46 2 121.221 . 18.6395287514 . . . . . . . . . . . 19179 1 >> 47 1 8.436 . 21.8286503807 . . . . . . . . . . . 19179 1 >> 47 2 118.356 . 17.1122789383 . . . . . . . . . . . 19179 1 >> 48 1 8.138 . 19.8389431543 . . . . . . . . . . . 19179 1 >> 48 2 116.865 . 15.0401759148 . . . . . . . . . . . 19179 1 >> 49 1 8.262 . 22.7085055390 . . . . . . . . . . . 19179 1 >> 49 2 118.625 . 18.7681460381 . . . . . . . . . . . 19179 1 >> 50 1 8.288 . 21.2034475131 . . . . . . . . . . . 19179 1 >> 50 2 118.249 . 16.3549304008 . . . . . . . . . . . 19179 1 >> 51 1 8.275 . 23.1001121711 . . . . . . . . . . . 19179 1 >> 51 2 117.808 . 19.5504713058 . . . . . . . . . . . 19179 1 >> 52 1 8.228 . 21.9612855314 . . . . . . . . . . . 19179 1 >> 52 2 117.589 . 16.7145180702 . . . . . . . . . . . 19179 1 >> 53 1 7.986 . 21.4390233777 . . . . . . . . . . . 19179 1 >> 53 2 118.085 . 36.7566704750 . . . . . . . . . . . 19179 1 >> 54 1 8.085 . 27.1007626453 . . . . . . . . . . . 19179 1 >> 54 2 117.689 . 34.2767643929 . . . . . . . . . . . 19179 1 >> 55 1 8.008 . 26.4381267907 . . . . . . . . . . . 19179 1 >> 55 2 117.714 . 16.2212920189 . . . . . . . . . . . 19179 1 >> 56 1 8.108 . 35.2474763504 . . . . . . . . . . . 19179 1 >> 56 2 117.450 . 19.8827004433 . . . . . . . . . . . 19179 1 >> 57 1 8.145 . 74.0730423421 . . . . . . . . . . . 19179 1 >> 57 2 117.475 . 21.9154715538 . . . . . . . . . . . 19179 1 >> 58 1 8.583 . 66.3146958760 . . . . . . . . . . . 19179 1 >> 58 2 120.029 . 17.5502729416 . . . . . . . . . . . 19179 1 >> 59 1 8.521 . 25.3138774200 . . . . . . . . . . . 19179 1 >> 59 2 120.095 . 19.0578246117 . . . . . . . . . . . 19179 1 >> 60 1 8.456 . 23.3412669905 . . . . . . . . . . . 19179 1 >> 60 2 119.918 . 26.1996889114 . . . . . . . . . . . 19179 1 >> 61 1 8.286 . 22.9663972227 . . . . . . . . . . . 19179 1 >> 61 2 121.167 . 17.0213198662 . . . . . . . . . . . 19179 1 >> 65 1 8.112 . 22.8760541486 . . . . . . . . . . . 19179 1 >> 65 2 122.973 . 16.3644897938 . . . . . . . . . . . 19179 1 >> 66 1 8.089 . 21.6629014339 . . . . . . . . . . . 19179 1 >> 66 2 122.263 . 16.4659094810 . . . . . . . . . . . 19179 1 >> 67 1 8.035 . 24.4151258020 . . . . . . . . . . . 19179 1 >> 67 2 122.106 . 17.5075936317 . . . . . . . . . . . 19179 1 >> 68 1 8.153 . 30.6579761978 . . . . . . . . . . . 19179 1 >> 68 2 121.819 . 20.1766276360 . . . . . . . . . . . 19179 1 >> 70 1 8.328 . 22.5683118044 . . . . . . . . . . . 19179 1 >> 70 2 119.408 . 17.2390937805 . . . . . . . . . . . 19179 1 >> 71 1 8.244 . 23.0941732837 . . . . . . . . . . . 19179 1 >> 71 2 119.234 . 16.4171791077 . . . . . . . . . . . 19179 1 >> 72 1 8.167 . 21.0735118567 . . . . . . . . . . . 19179 1 >> 72 2 119.483 . 16.6740918159 . . . . . . . . . . . 19179 1 >> 75 1 8.106 . 21.2144254564 . . . . . . . . . . . 19179 1 >> 75 2 118.797 . 15.6178593636 . . . . . . . . . . . 19179 1 >> 77 1 7.919 . 23.9875259132 . . . . . . . . . . . 19179 1 >> 77 2 119.446 . 16.5326642990 . . . . . . . . . . . 19179 1 >> 78 1 7.740 . 24.6064299610 . . . . . . . . . . . 19179 1 >> 78 2 119.096 . 19.2410302162 . . . . . . . . . . . 19179 1 >> 79 1 7.745 . 21.5937943812 . . . . . . . . . . . 19179 1 >> 79 2 120.144 . 15.1062870026 . . . . . . . . . . . 19179 1 >> 80 1 7.835 . 23.1422242813 . . . . . . . . . . . 19179 1 >> 80 2 120.169 . 25.1753854752 . . . . . . . . . . . 19179 1 >> 81 1 7.910 . 28.5905235371 . . . . . . . . . . . 19179 1 >> 81 2 120.531 . 22.5068664551 . . . . . . . . . . . 19179 1 >> 85 1 7.839 . 29.0539367162 . . . . . . . . . . . 19179 1 >> 85 2 120.276 . 29.4937849045 . . . . . . . . . . . 19179 1 >> 86 1 7.909 . 25.9750735442 . . . . . . . . . . . 19179 1 >> 86 2 120.580 . 20.6328392029 . . . . . . . . . . . 19179 1 >> 103 1 8.445 . 22.0410105948 . . . . . . . . . . . 19179 1 >> 103 2 119.691 . 35.2628302574 . . . . . . . . . . . 19179 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 11.396 . 1 1 1 62 SER H . . . . . . 1 . 19179 1 >> 1 2 . 1 . . 126.283 . 1 1 1 62 SER N . . . . . . 2 . 19179 1 >> 2 1 . 1 . . 10.333 . 1 1 1 63 ASN H . . . . . . 5 . 19179 1 >> 2 2 . 1 . . 118.526 . 1 1 1 63 ASN N . . . . . . 6 . 19179 1 >> 3 1 . 1 . . 10.615 . 1 1 1 36 GLY H . . . . . . 3 . 19179 1 >> 3 2 . 1 . . 114.969 . 1 1 1 36 GLY N . . . . . . 4 . 19179 1 >> 4 1 . 1 . . 9.519 . 1 1 1 40 SER H . . . . . . 7 . 19179 1 >> 4 2 . 1 . . 114.429 . 1 1 1 40 SER N . . . . . . 8 . 19179 1 >> 5 1 . 1 . . 6.971 . 1 1 1 64 PHE H . . . . . . 11 . 19179 1 >> 5 2 . 1 . . 112.992 . 1 1 1 64 PHE N . . . . . . 12 . 19179 1 >> 6 1 . 1 . . 7.318 . 1 1 1 85 GLU H . . . . . . 9 . 19179 1 >> 6 2 . 1 . . 111.162 . 1 1 1 85 GLU N . . . . . . 10 . 19179 1 >> 7 1 . 1 . . 9.004 . 1 1 1 84 GLU H . . . . . . 17 . 19179 1 >> 7 2 . 1 . . 118.661 . 1 1 1 84 GLU N . . . . . . 18 . 19179 1 >> 8 1 . 2 . . 9.118 . 1 1 1 55 LYS H . . . . . . 16 . 19179 1 >> 8 2 . 2 . . 118.511 . 1 1 1 55 LYS N . . . . . . 15 . 19179 1 >> 9 1 . 1 . . 9.001 . 1 1 1 42 SER H . . . . . . 13 . 19179 1 >> 9 2 . 1 . . 114.674 . 1 1 1 42 SER N . . . . . . 14 . 19179 1 >> 10 1 . 1 . . 8.935 . 1 1 1 33 VAL H . . . . . . 21 . 19179 1 >> 10 2 . 1 . . 122.528 . 1 1 1 33 VAL N . . . . . . 22 . 19179 1 >> 11 1 . 1 . . 8.856 . 1 1 1 29 ALA H . . . . . . 19 . 19179 1 >> 11 2 . 1 . . 121.053 . 1 1 1 29 ALA N . . . . . . 20 . 19179 1 >> 12 1 . 1 . . 8.756 . 1 1 1 32 GLU H . . . . . . 27 . 19179 1 >> 12 2 . 1 . . 126.867 . 1 1 1 32 GLU N . . . . . . 28 . 19179 1 >> 13 1 . 1 . . 8.834 . 1 1 1 34 HIS H . . . . . . 25 . 19179 1 >> 13 2 . 1 . . 126.015 . 1 1 1 34 HIS N . . . . . . 26 . 19179 1 >> 14 1 . 1 . . 8.622 . 1 1 1 38 TYR H . . . . . . 23 . 19179 1 >> 14 2 . 1 . . 124.951 . 1 1 1 38 TYR N . . . . . . 24 . 19179 1 >> 16 1 . 6 . . 8.586 . 1 1 1 31 CYS H . . . . . . 31 . 19179 1 >> 16 2 . 3 . . 129.774 . 1 1 1 31 CYS N . . . . . . 32 . 19179 1 >> 17 1 . 1 . . 8.589 . 1 1 1 45 ILE H . . . . . . 29 . 19179 1 >> 17 2 . 1 . . 129.584 . 1 1 1 45 ILE N . . . . . . 30 . 19179 1 >> 18 1 . 1 . . 8.292 . 1 1 1 87 PHE H . . . . . . 35 . 19179 1 >> 18 2 . 1 . . 129.406 . 1 1 1 87 PHE N . . . . . . 36 . 19179 1 >> 19 1 . 1 . . 8.189 . 1 1 1 26 GLY H . . . . . . 37 . 19179 1 >> 19 2 . 1 . . 129.923 . 1 1 1 26 GLY N . . . . . . 38 . 19179 1 >> 20 1 . 1 . . 8.261 . 1 1 1 43 GLY H . . . . . . 39 . 19179 1 >> 20 2 . 1 . . 130.573 . 1 1 1 43 GLY N . . . . . . 40 . 19179 1 >> 21 1 . 1 . . 8.298 . 1 1 1 67 VAL H . . . . . . 33 . 19179 1 >> 21 2 . 1 . . 127.826 . 1 1 1 67 VAL N . . . . . . 34 . 19179 1 >> 22 1 . 1 . . 7.644 . 1 1 1 59 GLY H . . . . . . 41 . 19179 1 >> 22 2 . 1 . . 130.075 . 1 1 1 59 GLY N . . . . . . 42 . 19179 1 >> 23 1 . 2 . . 7.971 . 1 1 1 92 ASP H . . . . . . 43 . 19179 1 >> 23 2 . 3 . . 126.836 . 1 1 1 92 ASP N . . . . . . 44 . 19179 1 >> 25 1 . 1 . . 8.431 . 1 1 1 41 ASP H . . . . . . 45 . 19179 1 >> 25 2 . 1 . . 125.551 . 1 1 1 41 ASP N . . . . . . 46 . 19179 1 >> 26 1 . 1 . . 8.344 . 1 1 1 24 GLU H . . . . . . 47 . 19179 1 >> 26 2 . 1 . . 125.684 . 1 1 1 24 GLU N . . . . . . 48 . 19179 1 >> 27 1 . 1 . . 8.202 . 1 1 1 83 ALA H . . . . . . 50 . 19179 1 >> 27 2 . 1 . . 126.068 . 1 1 1 83 ALA N . . . . . . 49 . 19179 1 >> 28 1 . 1 . . 7.699 . 1 1 1 89 CYS H . . . . . . 51 . 19179 1 >> 28 2 . 1 . . 125.476 . 1 1 1 89 CYS N . . . . . . 52 . 19179 1 >> 29 1 . 1 . . 7.218 . 1 1 1 82 GLY H . . . . . . 53 . 19179 1 >> 29 2 . 1 . . 127.998 . 1 1 1 82 GLY N . . . . . . 54 . 19179 1 >> 30 1 . 1 . . 8.483 . 1 1 1 39 PHE H . . . . . . 57 . 19179 1 >> 30 2 . 1 . . 115.194 . 1 1 1 39 PHE N . . . . . . 58 . 19179 1 >> 31 1 . 1 . . 8.662 . 1 1 1 77 VAL H . . . . . . 55 . 19179 1 >> 31 2 . 1 . . 114.746 . 1 1 1 77 VAL N . . . . . . 56 . 19179 1 >> 33 1 . 3 . . 7.791 . 1 1 1 72 LYS H . . . . . . 65 . 19179 1 >> 33 2 . 2 . . 116.770 . 1 1 1 72 LYS N . . . . . . 66 . 19179 1 >> 34 1 . 1 . . 7.669 . 1 1 1 37 THR H . . . . . . 63 . 19179 1 >> 34 2 . 1 . . 116.476 . 1 1 1 37 THR N . . . . . . 64 . 19179 1 >> 35 1 . 1 . . 7.684 . 1 1 1 58 LYS H . . . . . . 61 . 19179 1 >> 35 2 . 1 . . 115.784 . 1 1 1 58 LYS N . . . . . . 62 . 19179 1 >> 36 1 . 1 . . 7.957 . 1 1 1 53 ARG H . . . . . . 59 . 19179 1 >> 36 2 . 1 . . 115.092 . 1 1 1 53 ARG N . . . . . . 60 . 19179 1 >> 37 1 . 1 . . 6.925 . 1 1 1 48 ALA H . . . . . . 67 . 19179 1 >> 37 2 . 1 . . 122.935 . 1 1 1 48 ALA N . . . . . . 68 . 19179 1 >> 38 1 . 1 . . 7.372 . 1 1 1 47 GLU H . . . . . . 73 . 19179 1 >> 38 2 . 1 . . 121.839 . 1 1 1 47 GLU N . . . . . . 74 . 19179 1 >> 39 1 . 1 . . 7.184 . 1 1 1 70 LEU H . . . . . . 71 . 19179 1 >> 39 2 . 1 . . 120.330 . 1 1 1 70 LEU N . . . . . . 72 . 19179 1 >> 40 1 . 1 . . 7.026 . 1 1 1 28 LEU H . . . . . . 69 . 19179 1 >> 40 2 . 1 . . 119.632 . 1 1 1 28 LEU N . . . . . . 70 . 19179 1 >> 41 1 . 1 . . 7.569 . 1 1 1 90 ASP H . . . . . . 75 . 19179 1 >> 41 2 . 1 . . 119.756 . 1 1 1 90 ASP N . . . . . . 76 . 19179 1 >> 42 1 . 1 . . 7.413 . 1 1 1 66 ASP H . . . . . . 77 . 19179 1 >> 42 2 . 1 . . 119.568 . 1 1 1 66 ASP N . . . . . . 78 . 19179 1 >> 43 1 . 1 . . 7.839 . 1 1 1 22 ALA H . . . . . . 79 . 19179 1 >> 43 2 . 1 . . 122.302 . 1 1 1 22 ALA N . . . . . . 80 . 19179 1 >> 44 1 . 1 . . 7.643 . 1 1 1 35 GLU H . . . . . . 85 . 19179 1 >> 44 2 . 1 . . 122.059 . 1 1 1 35 GLU N . . . . . . 86 . 19179 1 >> 45 1 . 1 . . 7.669 . 1 1 1 69 GLU H . . . . . . 83 . 19179 1 >> 45 2 . 1 . . 121.347 . 1 1 1 69 GLU N . . . . . . 84 . 19179 1 >> 46 1 . 1 . . 7.796 . 1 1 1 73 LYS H . . . . . . 81 . 19179 1 >> 46 2 . 1 . . 121.221 . 1 1 1 73 LYS N . . . . . . 82 . 19179 1 >> 47 1 . 1 . . 8.436 . 1 1 1 88 SER H . . . . . . 87 . 19179 1 >> 47 2 . 1 . . 118.356 . 1 1 1 88 SER N . . . . . . 88 . 19179 1 >> 48 1 . 1 . . 8.138 . 1 1 1 20 TYR H . . . . . . 89 . 19179 1 >> 48 2 . 1 . . 116.865 . 1 1 1 20 TYR N . . . . . . 90 . 19179 1 >> 49 1 . 1 . . 8.262 . 1 1 1 71 VAL H . . . . . . 97 . 19179 1 >> 49 2 . 1 . . 118.625 . 1 1 1 71 VAL N . . . . . . 98 . 19179 1 >> 50 1 . 1 . . 8.288 . 1 1 1 49 GLU H . . . . . . 95 . 19179 1 >> 50 2 . 1 . . 118.249 . 1 1 1 49 GLU N . . . . . . 96 . 19179 1 >> 51 1 . 1 . . 8.275 . 1 1 1 46 SER H . . . . . . 93 . 19179 1 >> 51 2 . 1 . . 117.808 . 1 1 1 46 SER N . . . . . . 94 . 19179 1 >> 52 1 . 1 . . 8.228 . 1 1 1 25 ALA H . . . . . . 91 . 19179 1 >> 52 2 . 1 . . 117.589 . 1 1 1 25 ALA N . . . . . . 92 . 19179 1 >> 53 1 . 1 . . 7.986 . 1 1 1 14 LYS H . . . . . . 101 . 19179 1 >> 53 2 . 1 . . 118.085 . 1 1 1 14 LYS N . . . . . . 102 . 19179 1 >> 54 1 . 1 . . 8.085 . 1 1 1 18 ALA H . . . . . . 103 . 19179 1 >> 54 2 . 1 . . 117.689 . 1 1 1 18 ALA N . . . . . . 104 . 19179 1 >> 55 1 . 1 . . 8.008 . 1 1 1 60 GLU H . . . . . . 99 . 19179 1 >> 55 2 . 1 . . 117.714 . 1 1 1 60 GLU N . . . . . . 100 . 19179 1 >> 56 1 . 1 . . 8.108 . 1 1 1 50 GLU H . . . . . . 105 . 19179 1 >> 56 2 . 1 . . 117.450 . 1 1 1 50 GLU N . . . . . . 106 . 19179 1 >> 57 1 . 1 . . 8.145 . 1 1 1 81 LEU H . . . . . . 107 . 19179 1 >> 57 2 . 1 . . 117.475 . 1 1 1 81 LEU N . . . . . . 108 . 19179 1 >> 58 1 . 1 . . 8.583 . 1 1 1 44 ASP H . . . . . . 109 . 19179 1 >> 58 2 . 1 . . 120.029 . 1 1 1 44 ASP N . . . . . . 110 . 19179 1 >> 59 1 . 1 . . 8.521 . 1 1 1 75 VAL H . . . . . . 111 . 19179 1 >> 59 2 . 1 . . 120.095 . 1 1 1 75 VAL N . . . . . . 112 . 19179 1 >> 60 1 . 1 . . 8.456 . 1 1 1 56 PHE H . . . . . . 796 . 19179 1 >> 60 2 . 1 . . 119.918 . 1 1 1 56 PHE N . . . . . . 797 . 19179 1 >> 61 1 . 1 . . 8.286 . 1 1 1 52 ALA H . . . . . . 113 . 19179 1 >> 61 2 . 1 . . 121.167 . 1 1 1 52 ALA N . . . . . . 114 . 19179 1 >> 65 1 . 1 . . 8.112 . 1 1 1 21 ILE H . . . . . . 115 . 19179 1 >> 65 2 . 1 . . 122.973 . 1 1 1 21 ILE N . . . . . . 116 . 19179 1 >> 66 1 . 1 . . 8.089 . 1 1 1 54 GLU H . . . . . . 117 . 19179 1 >> 66 2 . 1 . . 122.263 . 1 1 1 54 GLU N . . . . . . 118 . 19179 1 >> 67 1 . 1 . . 8.035 . 1 1 1 86 CYS H . . . . . . 119 . 19179 1 >> 67 2 . 1 . . 122.106 . 1 1 1 86 CYS N . . . . . . 120 . 19179 1 >> 68 1 . 1 . . 8.153 . 1 1 1 57 GLU H . . . . . . 336 . 19179 1 >> 68 2 . 1 . . 121.819 . 1 1 1 57 GLU N . . . . . . 335 . 19179 1 >> 70 1 . 2 . . 8.328 . 1 1 1 23 ILE H . . . . . . 687 . 19179 1 >> 70 2 . 1 . . 119.408 . 1 1 1 23 ILE N . . . . . . 688 . 19179 1 >> 71 1 . 1 . . 8.244 . 1 1 1 30 GLU H . . . . . . 121 . 19179 1 >> 71 2 . 1 . . 119.234 . 1 1 1 30 GLU N . . . . . . 122 . 19179 1 >> 72 1 . 1 . . 8.167 . 1 1 1 80 GLU H . . . . . . 123 . 19179 1 >> 72 2 . 1 . . 119.483 . 1 1 1 80 GLU N . . . . . . 124 . 19179 1 >> 75 1 . 1 . . 8.106 . 1 1 1 79 GLU H . . . . . . 135 . 19179 1 >> 75 2 . 1 . . 118.797 . 1 1 1 79 GLU N . . . . . . 136 . 19179 1 >> 77 1 . 1 . . 7.919 . 1 1 1 27 THR H . . . . . . 125 . 19179 1 >> 77 2 . 1 . . 119.446 . 1 1 1 27 THR N . . . . . . 126 . 19179 1 >> 78 1 . 1 . . 7.740 . 1 1 1 78 CYS H . . . . . . 127 . 19179 1 >> 78 2 . 1 . . 119.096 . 1 1 1 78 CYS N . . . . . . 128 . 19179 1 >> 79 1 . 1 . . 7.745 . 1 1 1 61 VAL H . . . . . . 129 . 19179 1 >> 79 2 . 1 . . 120.144 . 1 1 1 61 VAL N . . . . . . 130 . 19179 1 >> 80 1 . 1 . . 7.835 . 1 1 1 51 LEU H . . . . . . 131 . 19179 1 >> 80 2 . 1 . . 120.169 . 1 1 1 51 LEU N . . . . . . 132 . 19179 1 >> 81 1 . 1 . . 7.910 . 1 1 1 91 PHE H . . . . . . 133 . 19179 1 >> 81 2 . 1 . . 120.531 . 1 1 1 91 PHE N . . . . . . 134 . 19179 1 >> 85 1 . 1 . . 7.839 . 1 1 1 76 ALA H . . . . . . 347 . 19179 1 >> 85 2 . 1 . . 120.276 . 1 1 1 76 ALA N . . . . . . 348 . 19179 1 >> 86 1 . 1 . . 7.909 . 1 1 1 68 GLU H . . . . . . 353 . 19179 1 >> 86 2 . 1 . . 120.580 . 1 1 1 68 GLU N . . . . . . 354 . 19179 1 >> 103 1 . 1 . . 8.445 . 1 1 1 74 VAL H . . . . . . 695 . 19179 1 >> 103 2 . 1 . . 119.691 . 1 1 1 74 VAL N . . . . . . 694 . 19179 1 >> >> stop_ >> >>save_ >> ; save_