data_16293 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CA150 FF1 domain and FF1-FF2 interdomain linker ; _BMRB_accession_number 16293 _BMRB_flat_file_name bmr16293.str _Entry_type original _Submission_date 2009-05-08 _Accession_date 2009-05-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murphy James M. . 2 Hansen 'D. Flemming' . . 3 Wiesner Silke . . 4 Muhandiram 'D. Ranjith' . . 5 Borg Mikael . . 6 Smith Matthew J. . 7 Sicheri Frank . . 8 Kay Lewis E. . 9 Forman-Kay Julie D. . 10 Pawson Tony . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 815 "13C chemical shifts" 251 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-13 update BMRB 'complete entry citation' 2009-09-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_reference_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural studies of FF domains of the transcription factor CA150 provide insights into the organization of FF domain tandem arrays.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19715701 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murphy James M. . 2 Hansen 'D. Flemming' . . 3 Wiesner Silke . . 4 Muhandiram 'D. Ranjith' . . 5 Borg Mikael . . 6 Smith Matthew J. . 7 Sicheri Frank . . 8 Kay Lewis E. . 9 Forman-Kay Julie D. . 10 Pawson Tony . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 393 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 409 _Page_last 424 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CA150 FF1+linker' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CA150 FF1+linker' $CA150_FF1+linker stop_ _System_molecular_weight 8559.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'DNA binding' 'RNA polymerase II' scaffold 'splicing machinery' 'Transcription factor' stop_ _Database_query_date . _Details 'FF1 from CA150 fused to the naturally occurring peptide linker which joins it to FF2 domain' save_ ######################## # Monomeric polymers # ######################## save_CA150_FF1+linker _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CA150_FF1+linker _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'nucleic acid binding' 'protein interactions' 'RNA polymerase II CTD interaction' 'splicing factor' 'Transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GAMGSLEARMKQFKDMLLER GVSAFSTWEKELHKIVFDPR YLLLNPKERKQVFDQYVKTR AEEERREKKNK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 613 GLY 2 614 ALA 3 615 MET 4 616 GLY 5 617 SER 6 618 LEU 7 619 GLU 8 620 ALA 9 621 ARG 10 622 MET 11 623 LYS 12 624 GLN 13 625 PHE 14 626 LYS 15 627 ASP 16 628 MET 17 629 LEU 18 630 LEU 19 631 GLU 20 632 ARG 21 633 GLY 22 634 VAL 23 635 SER 24 636 ALA 25 637 PHE 26 638 SER 27 639 THR 28 640 TRP 29 641 GLU 30 642 LYS 31 643 GLU 32 644 LEU 33 645 HIS 34 646 LYS 35 647 ILE 36 648 VAL 37 649 PHE 38 650 ASP 39 651 PRO 40 652 ARG 41 653 TYR 42 654 LEU 43 655 LEU 44 656 LEU 45 657 ASN 46 658 PRO 47 659 LYS 48 660 GLU 49 661 ARG 50 662 LYS 51 663 GLN 52 664 VAL 53 665 PHE 54 666 ASP 55 667 GLN 56 668 TYR 57 669 VAL 58 670 LYS 59 671 THR 60 672 ARG 61 673 ALA 62 674 GLU 63 675 GLU 64 676 GLU 65 677 ARG 66 678 ARG 67 679 GLU 68 680 LYS 69 681 LYS 70 682 ASN 71 683 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 2KIS "Solution Structure Of Ca150 Ff1 Domain And Ff1-Ff2 Interdomain Linker" 100.00 71 100.00 100.00 5.57e-43 GB EDL10032 "mCG127945, isoform CRA_d [Mus musculus]" 70.42 444 100.00 100.00 9.61e-25 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CA150_FF1+linker Mouse 10090 Eukaryota Metazoa Mus musculus 'TCERG-1; CA150' 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 $CA150_FF1+linker 'recombinant technology' . Escherichia coli BL21(DE3) 'pProEX Htb' 'N-terminal 6xHis tag cleaved using TEV protease' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '3D data collected for protein at 1-1.7mM in PBS pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CA150_FF1+linker . mM 1.0 1.7 '[U-99% 13C; U-99% 15N]' H20 95 % . . 'natural abundance' D20 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Aria _Saveframe_category software _Name ARIA _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr stop_ loop_ _Task 'Automated NOE assignment' 'NMR structure calculation' stop_ _Details ; ARIA 1.1 is using CNS 1.1. M. Nilges and S.I. O'Donoghue. Ambiguous NOEs and automated NOE assignment. Prog.NMR spectr. 32:107-139, 1998. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 0.137 . M pH 6.5 . pH pressure 1.0 . atm temperature 285 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 . indirect . . . 1.0 DSS N 15 'methyl 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_C _Saveframe_category assigned_chemical_shifts _Details 'Derived from the file: /tmp_disk/scratch4/silke/ff1lnk/run3/data/13C/13C.ppm' loop_ _Software_label $Aria stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-13C 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 'CA150 FF1+linker' _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 1 614 2 ALA H H 8.56 0.0 1 2 614 2 ALA HA H 4.296 0.0 1 3 614 2 ALA HB H 1.324 0.0 1 4 614 2 ALA CA C 52.718 0.0 1 5 614 2 ALA CB C 19.861 0.0 1 6 615 3 MET H H 8.554 0.0 1 7 615 3 MET HA H 4.397 0.0 1 8 615 3 MET HB2 H 2.572 0.0 2 9 615 3 MET HB3 H 2.503 0.0 2 10 615 3 MET HG2 H 2.0 0.0 1 11 615 3 MET CA C 55.892 0.0 1 12 615 3 MET CB C 32.332 0.0 1 13 615 3 MET CG C 33.266 0.0 1 14 616 4 GLY H H 8.503 0.0 1 15 616 4 GLY HA2 H 3.957 0.0 2 16 616 4 GLY CA C 45.064 0.0 1 17 617 5 SER H H 8.468 0.0 1 18 617 5 SER HA H 4.354 0.0 1 19 617 5 SER HB2 H 4.243 0.0 2 20 617 5 SER HB3 H 3.995 0.0 2 21 617 5 SER CA C 58.505 0.0 1 22 617 5 SER CB C 64.666 0.0 1 23 618 6 LEU H H 8.773 0.0 1 24 618 6 LEU HA H 3.939 0.0 1 25 618 6 LEU HB2 H 1.729 0.0 2 26 618 6 LEU HB3 H 1.482 0.0 2 27 618 6 LEU HD1 H 0.853 0.0 2 28 618 6 LEU HD2 H 0.798 0.0 2 29 618 6 LEU HG H 1.463 0.0 1 30 618 6 LEU CA C 58.879 0.0 1 31 618 6 LEU CB C 41.517 0.0 1 32 618 6 LEU CD1 C 26.022 0.0 2 33 618 6 LEU CD2 C 23.788 0.0 2 34 618 6 LEU CG C 27.516 0.0 1 35 619 7 GLU H H 8.7 0.0 1 36 619 7 GLU HA H 3.822 0.0 1 37 619 7 GLU HB2 H 1.982 0.0 2 38 619 7 GLU HB3 H 1.865 0.0 2 39 619 7 GLU HG2 H 2.241 0.0 2 40 619 7 GLU CA C 60.537 0.0 1 41 619 7 GLU CB C 29.382 0.0 1 42 619 7 GLU CG C 36.85 0.0 1 43 620 8 ALA H H 7.936 0.0 1 44 620 8 ALA HA H 4.111 0.0 1 45 620 8 ALA HB H 1.453 0.0 1 46 620 8 ALA CA C 55.332 0.0 1 47 620 8 ALA CB C 18.741 0.0 1 48 621 9 ARG H H 8.378 0.0 1 49 621 9 ARG HA H 4.026 0.0 1 50 621 9 ARG HB2 H 1.946 0.0 2 51 621 9 ARG HB3 H 1.843 0.0 2 52 621 9 ARG HD2 H 3.484 0.0 2 53 621 9 ARG HD3 H 3.323 0.0 2 54 621 9 ARG HE H 6.415 0.0 1 55 621 9 ARG HG2 H 1.63 0.0 2 56 621 9 ARG HG3 H 1.568 0.0 2 57 621 9 ARG CA C 60.559 0.0 1 58 621 9 ARG CB C 30.689 0.0 1 59 621 9 ARG CD C 43.764 0.0 1 60 621 9 ARG CG C 30.689 0.0 1 61 622 10 MET H H 8.972 0.0 1 62 622 10 MET HA H 3.938 0.0 1 63 622 10 MET HB2 H 2.109 0.0 2 64 622 10 MET HB3 H 1.95 0.0 2 65 622 10 MET HE H 1.925 0.0 1 66 622 10 MET HG2 H 2.846 0.0 2 67 622 10 MET HG3 H 1.98 0.0 2 68 622 10 MET CA C 60.746 0.0 1 69 622 10 MET CB C 33.293 0.0 1 70 622 10 MET CE C 17.819 0.0 1 71 622 10 MET CG C 34.236 0.0 1 72 623 11 LYS H H 7.762 0.0 1 73 623 11 LYS HA H 4.008 0.0 1 74 623 11 LYS HB2 H 1.975 0.0 2 75 623 11 LYS HD2 H 1.706 0.0 2 76 623 11 LYS HD3 H 1.59 0.0 2 77 623 11 LYS HE2 H 2.951 0.0 2 78 623 11 LYS HG2 H 1.419 0.0 2 79 623 11 LYS CA C 59.812 0.0 1 80 623 11 LYS CB C 32.369 0.0 1 81 623 11 LYS CD C 29.196 0.0 1 82 623 11 LYS CE C 42.45 0.0 1 83 623 11 LYS CG C 25.649 0.0 1 84 624 12 GLN H H 7.82 0.0 1 85 624 12 GLN HA H 4.112 0.0 1 86 624 12 GLN HB2 H 2.204 0.0 2 87 624 12 GLN HB3 H 1.83 0.0 2 88 624 12 GLN HE21 H 7.214 0.0 2 89 624 12 GLN HE22 H 6.844 0.0 2 90 624 12 GLN HG2 H 2.537 0.0 2 91 624 12 GLN HG3 H 2.322 0.0 2 92 624 12 GLN CA C 59.626 0.0 1 93 624 12 GLN CB C 30.316 0.0 1 94 624 12 GLN CG C 35.356 0.0 1 95 625 13 PHE H H 8.269 0.0 1 96 625 13 PHE HA H 3.801 0.0 1 97 625 13 PHE HB2 H 3.234 0.0 2 98 625 13 PHE HB3 H 2.924 0.0 2 99 625 13 PHE HD1 H 7.17 0.0 3 100 625 13 PHE HD2 H 7.17 0.0 3 101 625 13 PHE HE1 H 7.371 0.0 3 102 625 13 PHE HE2 H 7.371 0.0 3 103 625 13 PHE HZ H 7.256 0.0 1 104 625 13 PHE CA C 61.679 0.0 1 105 625 13 PHE CB C 40.77 0.0 1 106 625 13 PHE CD1 C 132.229 0.0 3 107 625 13 PHE CE1 C 131.109 0.0 3 108 625 13 PHE CZ C 127.748 0.0 1 109 626 14 LYS H H 8.514 0.0 1 110 626 14 LYS HA H 3.642 0.0 1 111 626 14 LYS HB2 H 2.063 0.0 2 112 626 14 LYS HB3 H 1.927 0.0 2 113 626 14 LYS HD2 H 1.755 0.0 2 114 626 14 LYS HE2 H 2.941 0.0 2 115 626 14 LYS HG2 H 1.544 0.0 2 116 626 14 LYS CA C 61.119 0.0 1 117 626 14 LYS CB C 32.369 0.0 1 118 626 14 LYS CD C 29.942 0.0 1 119 626 14 LYS CE C 42.45 0.0 1 120 626 14 LYS CG C 26.582 0.0 1 121 627 15 ASP H H 8.586 0.0 1 122 627 15 ASP HA H 4.293 0.0 1 123 627 15 ASP HB2 H 2.854 0.0 2 124 627 15 ASP HB3 H 2.545 0.0 2 125 627 15 ASP CA C 57.385 0.0 1 126 627 15 ASP CB C 39.65 0.0 1 127 628 16 MET H H 7.744 0.0 1 128 628 16 MET HA H 3.647 0.0 1 129 628 16 MET HB2 H 2.363 0.0 2 130 628 16 MET HB3 H 1.524 0.0 2 131 628 16 MET HE H 1.034 0.0 1 132 628 16 MET HG2 H 2.317 0.0 2 133 628 16 MET HG3 H 1.806 0.0 2 134 628 16 MET CA C 59.626 0.0 1 135 628 16 MET CB C 31.05 0.0 1 136 628 16 MET CE C 17.446 0.0 1 137 628 16 MET CG C 31.623 0.0 1 138 629 17 LEU H H 7.522 0.0 1 139 629 17 LEU HA H 3.325 0.0 1 140 629 17 LEU HB2 H 1.427 0.0 2 141 629 17 LEU HD1 H 0.642 0.0 2 142 629 17 LEU HD2 H 0.025 0.0 2 143 629 17 LEU HG H 1.815 0.0 1 144 629 17 LEU CA C 58.132 0.0 1 145 629 17 LEU CB C 39.837 0.0 1 146 629 17 LEU CD1 C 24.161 0.0 2 147 629 17 LEU CD2 C 27.507 0.0 2 148 629 17 LEU CG C 25.275 0.0 1 149 630 18 LEU H H 6.961 0.0 1 150 630 18 LEU HA H 4.374 0.0 1 151 630 18 LEU HB2 H 1.859 0.0 2 152 630 18 LEU HD1 H 0.992 0.0 2 153 630 18 LEU HD2 H 0.961 0.0 2 154 630 18 LEU HG H 1.601 0.0 1 155 630 18 LEU CA C 57.759 0.0 1 156 630 18 LEU CB C 42.824 0.0 1 157 630 18 LEU CD1 C 24.529 0.0 2 158 630 18 LEU CD2 C 25.649 0.0 2 159 630 18 LEU CG C 27.702 0.0 1 160 631 19 GLU H H 8.539 0.0 1 161 631 19 GLU HA H 3.863 0.0 1 162 631 19 GLU HB2 H 2.012 0.0 2 163 631 19 GLU HB3 H 1.926 0.0 2 164 631 19 GLU HG2 H 2.425 0.0 2 165 631 19 GLU HG3 H 2.166 0.0 2 166 631 19 GLU CA C 59.439 0.0 1 167 631 19 GLU CB C 30.876 0.0 1 168 631 19 GLU CG C 36.476 0.0 1 169 632 20 ARG H H 8.38 0.0 1 170 632 20 ARG HA H 4.259 0.0 1 171 632 20 ARG HB2 H 1.962 0.0 2 172 632 20 ARG HB3 H 1.56 0.0 2 173 632 20 ARG HD2 H 3.183 0.0 2 174 632 20 ARG HE H 7.732 0.0 1 175 632 20 ARG HG2 H 1.649 0.0 2 176 632 20 ARG HG3 H 1.499 0.0 2 177 632 20 ARG CA C 54.025 0.0 1 178 632 20 ARG CB C 29.569 0.0 1 179 632 20 ARG CD C 42.45 0.0 1 180 632 20 ARG CG C 27.329 0.0 1 181 633 21 GLY H H 7.683 0.0 1 182 633 21 GLY HA2 H 3.83 0.0 2 183 633 21 GLY CA C 47.118 0.0 1 184 634 22 VAL H H 8.098 0.0 1 185 634 22 VAL HA H 3.796 0.0 1 186 634 22 VAL HB H 1.795 0.0 1 187 634 22 VAL HG1 H 1.067 0.0 2 188 634 22 VAL HG2 H 0.817 0.0 2 189 634 22 VAL CA C 64.106 0.0 1 190 634 22 VAL CB C 30.876 0.0 1 191 634 22 VAL CG1 C 21.915 0.0 2 192 634 22 VAL CG2 C 24.529 0.0 2 193 635 23 SER H H 9.022 0.0 1 194 635 23 SER HA H 4.489 0.0 1 195 635 23 SER HB2 H 3.892 0.0 2 196 635 23 SER HB3 H 3.563 0.0 2 197 635 23 SER CA C 57.199 0.0 1 198 635 23 SER CB C 64.479 0.0 1 199 636 24 ALA H H 8.918 0.0 1 200 636 24 ALA HA H 3.996 0.0 1 201 636 24 ALA HB H 0.694 0.0 1 202 636 24 ALA CA C 52.345 0.0 1 203 636 24 ALA CB C 19.301 0.0 1 204 637 25 PHE H H 8.119 0.0 1 205 637 25 PHE HA H 4.702 0.0 1 206 637 25 PHE HB2 H 3.396 0.0 2 207 637 25 PHE HB3 H 2.547 0.0 2 208 637 25 PHE HD2 H 7.14 0.0 3 209 637 25 PHE HE1 H 7.235 0.0 3 210 637 25 PHE HE2 H 7.235 0.0 3 211 637 25 PHE HZ H 7.139 0.0 1 212 637 25 PHE CA C 56.639 0.0 1 213 637 25 PHE CB C 38.903 0.0 1 214 637 25 PHE CD1 C 131.482 0.0 3 215 637 25 PHE CD2 C 131.482 0.0 3 216 637 25 PHE CE1 C 131.109 0.0 3 217 637 25 PHE CZ C 128.869 0.0 1 218 638 26 SER H H 7.8 0.0 1 219 638 26 SER HA H 4.818 0.0 1 220 638 26 SER HB2 H 3.732 0.0 2 221 638 26 SER HB3 H 3.539 0.0 2 222 638 26 SER CB C 64.666 0.0 1 223 639 27 THR H H 8.881 0.0 1 224 639 27 THR HA H 4.943 0.0 1 225 639 27 THR HB H 4.642 0.0 1 226 639 27 THR HG2 H 1.283 0.0 1 227 639 27 THR CA C 59.252 0.0 1 228 639 27 THR CB C 72.88 0.0 1 229 639 27 THR CG2 C 22.848 0.0 1 230 640 28 TRP H H 9.322 0.0 1 231 640 28 TRP HA H 3.552 0.0 1 232 640 28 TRP HB2 H 2.898 0.0 2 233 640 28 TRP HD1 H 6.957 0.0 1 234 640 28 TRP HE1 H 10.197 0.0 1 235 640 28 TRP HE3 H 5.734 0.0 1 236 640 28 TRP HH2 H 7.004 0.0 1 237 640 28 TRP HZ2 H 7.63 0.0 1 238 640 28 TRP HZ3 H 6.552 0.0 1 239 640 28 TRP CA C 60.186 0.0 1 240 640 28 TRP CB C 29.948 0.0 1 241 640 28 TRP CD1 C 127.002 0.0 1 242 640 28 TRP CE3 C 119.908 0.0 1 243 640 28 TRP CH2 C 122.895 0.0 1 244 640 28 TRP CZ2 C 115.060 0.0 1 245 640 28 TRP CZ3 C 119.908 0.0 1 246 641 29 GLU H H 8.839 0.0 1 247 641 29 GLU HA H 3.573 0.0 1 248 641 29 GLU HB2 H 2.025 0.0 2 249 641 29 GLU HB3 H 1.896 0.0 2 250 641 29 GLU HG2 H 2.507 0.0 2 251 641 29 GLU HG3 H 2.308 0.0 2 252 641 29 GLU CA C 60.746 0.0 1 253 641 29 GLU CB C 29.196 0.0 1 254 641 29 GLU CG C 37.97 0.0 1 255 642 30 LYS H H 7.667 0.0 1 256 642 30 LYS HA H 4.118 0.0 1 257 642 30 LYS HB2 H 2.002 0.0 2 258 642 30 LYS HB3 H 1.874 0.0 2 259 642 30 LYS HD2 H 1.727 0.0 2 260 642 30 LYS HE2 H 2.98 0.0 2 261 642 30 LYS HG2 H 1.505 0.0 2 262 642 30 LYS HG3 H 1.409 0.0 2 263 642 30 LYS CA C 58.879 0.0 1 264 642 30 LYS CB C 33.293 0.0 1 265 642 30 LYS CD C 29.569 0.0 1 266 642 30 LYS CE C 42.45 0.0 1 267 642 30 LYS CG C 26.582 0.0 1 268 643 31 GLU H H 7.748 0.0 1 269 643 31 GLU HA H 4.047 0.0 1 270 643 31 GLU HB2 H 2.18 0.0 2 271 643 31 GLU HB3 H 1.737 0.0 2 272 643 31 GLU HG2 H 2.781 0.0 2 273 643 31 GLU HG3 H 2.483 0.0 2 274 643 31 GLU CA C 56.265 0.0 1 275 643 31 GLU CB C 31.623 0.0 1 276 643 31 GLU CG C 36.85 0.0 1 277 644 32 LEU H H 7.218 0.0 1 278 644 32 LEU HA H 3.14 0.0 1 279 644 32 LEU HB2 H 1.139 0.0 2 280 644 32 LEU HB3 H 0.921 0.0 2 281 644 32 LEU HD1 H 0.462 0.0 2 282 644 32 LEU HD2 H 0.277 0.0 2 283 644 32 LEU HG H 0.921 0.0 1 284 644 32 LEU CA C 58.132 0.0 1 285 644 32 LEU CB C 41.89 0.0 1 286 644 32 LEU CD1 C 25.649 0.0 2 287 644 32 LEU CD2 C 23.595 0.0 2 288 644 32 LEU CG C 26.582 0.0 1 289 645 33 HIS H H 8.471 0.0 1 290 645 33 HIS HA H 4.005 0.0 1 291 645 33 HIS HB2 H 3.113 0.0 2 292 645 33 HIS HB3 H 2.952 0.0 2 293 645 33 HIS HD2 H 7.15 0.0 1 294 645 33 HIS HE1 H 8.153 0.0 1 295 645 33 HIS CA C 58.505 0.0 1 296 645 33 HIS CB C 28.449 0.0 1 297 645 33 HIS CD2 C 121.984 0.0 1 298 645 33 HIS CE1 C 137.830 0.0 1 299 646 34 LYS H H 7.429 0.0 1 300 646 34 LYS HA H 3.816 0.0 1 301 646 34 LYS HB2 H 1.72 0.0 2 302 646 34 LYS HB3 H 1.505 0.0 2 303 646 34 LYS HD2 H 1.441 0.0 2 304 646 34 LYS HE2 H 3.01 0.0 2 305 646 34 LYS HE3 H 2.808 0.0 2 306 646 34 LYS HG2 H 0.98 0.0 2 307 646 34 LYS HG3 H 0.258 0.0 2 308 646 34 LYS CA C 58.505 0.0 1 309 646 34 LYS CB C 34.615 0.0 1 310 646 34 LYS CD C 30.129 0.0 1 311 646 34 LYS CE C 42.824 0.0 1 312 646 34 LYS CG C 26.775 0.0 1 313 647 35 ILE H H 7.152 0.0 1 314 647 35 ILE HA H 4.156 0.0 1 315 647 35 ILE HB H 1.937 0.0 1 316 647 35 ILE HD1 H 0.52 0.0 1 317 647 35 ILE HG2 H 0.34 0.0 1 318 647 35 ILE CA C 61.492 0.0 1 319 647 35 ILE CB C 40.957 0.0 1 320 647 35 ILE CD1 C 14.261 0.0 1 321 647 35 ILE CG2 C 19.301 0.0 1 322 648 36 VAL H H 6.892 0.0 1 323 648 36 VAL HA H 2.231 0.0 1 324 648 36 VAL HB H 1.325 0.0 1 325 648 36 VAL HG1 H 0.29 0.0 2 326 648 36 VAL HG2 H 0.168 0.0 2 327 648 36 VAL CA C 63.733 0.0 1 328 648 36 VAL CB C 31.436 0.0 1 329 648 36 VAL CG1 C 20.433 0.0 2 330 648 36 VAL CG2 C 19.918 0.0 2 331 649 37 PHE H H 7.254 0.0 1 332 649 37 PHE HA H 4.629 0.0 1 333 649 37 PHE HB2 H 3.13 0.0 2 334 649 37 PHE HB3 H 2.847 0.0 2 335 649 37 PHE HD2 H 7.071 0.0 3 336 649 37 PHE HE1 H 7.233 0.0 3 337 649 37 PHE HE2 H 7.233 0.0 3 338 649 37 PHE CA C 56.078 0.0 1 339 649 37 PHE CB C 38.717 0.0 1 340 649 37 PHE CD1 C 131.109 0.0 3 341 649 37 PHE CD2 C 131.109 0.0 3 342 649 37 PHE CE1 C 131.109 0.0 3 343 650 38 ASP H H 7.527 0.0 1 344 650 38 ASP HA H 4.69 0.0 1 345 650 38 ASP HB2 H 3.302 0.0 2 346 650 38 ASP HB3 H 2.058 0.0 2 347 650 38 ASP CA C 51.971 0.0 1 348 650 38 ASP CB C 44.055 0.0 1 349 651 39 PRO HA H 4.267 0.0 1 350 651 39 PRO HB2 H 2.414 0.0 2 351 651 39 PRO HB3 H 1.924 0.0 2 352 651 39 PRO HD2 H 3.929 0.0 2 353 651 39 PRO HD3 H 3.734 0.0 2 354 651 39 PRO HG2 H 2.05 0.0 2 355 651 39 PRO CA C 65.599 0.0 1 356 651 39 PRO CB C 32.556 0.0 1 357 651 39 PRO CD C 51.225 0.0 1 358 651 39 PRO CG C 27.889 0.0 1 359 652 40 ARG H H 9.454 0.0 1 360 652 40 ARG HA H 3.978 0.0 1 361 652 40 ARG HB2 H 2.176 0.0 2 362 652 40 ARG HB3 H 1.493 0.0 2 363 652 40 ARG HD2 H 3.334 0.0 2 364 652 40 ARG HD3 H 3.005 0.0 2 365 652 40 ARG HE H 7.889 0.0 1 366 652 40 ARG HG2 H 1.789 0.0 2 367 652 40 ARG HG3 H 1.686 0.0 2 368 652 40 ARG CA C 58.505 0.0 1 369 652 40 ARG CB C 30.129 0.0 1 370 652 40 ARG CD C 43.571 0.0 1 371 652 40 ARG CG C 27.142 0.0 1 372 653 41 TYR H H 8.32 0.0 1 373 653 41 TYR HA H 4.145 0.0 1 374 653 41 TYR HB2 H 3.328 0.0 2 375 653 41 TYR HB3 H 2.998 0.0 2 376 653 41 TYR HD2 H 6.729 0.0 3 377 653 41 TYR HE1 H 6.78 0.0 3 378 653 41 TYR HE2 H 6.78 0.0 3 379 653 41 TYR CA C 61.119 0.0 1 380 653 41 TYR CB C 40.127 0.0 1 381 653 41 TYR CD1 C 132.602 0.0 3 382 653 41 TYR CE1 C 117.854 0.0 3 383 654 42 LEU H H 6.993 0.0 1 384 654 42 LEU HA H 4.081 0.0 1 385 654 42 LEU HB2 H 1.913 0.0 2 386 654 42 LEU HD1 H 0.972 0.0 2 387 654 42 LEU HD2 H 0.93 0.0 2 388 654 42 LEU HG H 1.729 0.0 1 389 654 42 LEU CA C 54.772 0.0 1 390 654 42 LEU CB C 41.89 0.0 1 391 654 42 LEU CD1 C 25.835 0.0 2 392 654 42 LEU CD2 C 27.148 0.0 2 393 654 42 LEU CG C 26.955 0.0 1 394 655 43 LEU H H 7.492 0.0 1 395 655 43 LEU HA H 4.053 0.0 1 396 655 43 LEU HB2 H 1.958 0.0 2 397 655 43 LEU HB3 H 1.38 0.0 2 398 655 43 LEU HD1 H 0.994 0.0 2 399 655 43 LEU HD2 H 0.84 0.0 2 400 655 43 LEU HG H 1.794 0.0 1 401 655 43 LEU CA C 56.452 0.0 1 402 655 43 LEU CB C 43.757 0.0 1 403 655 43 LEU CD1 C 26.769 0.0 2 404 655 43 LEU CD2 C 22.475 0.0 2 405 655 43 LEU CG C 27.516 0.0 1 406 656 44 LEU H H 6.524 0.0 1 407 656 44 LEU HA H 4.57 0.0 1 408 656 44 LEU HB2 H 1.382 0.0 2 409 656 44 LEU HB3 H 0.768 0.0 2 410 656 44 LEU HD1 H 0.538 0.0 2 411 656 44 LEU HD2 H 0.004 0.0 2 412 656 44 LEU HG H 1.079 0.0 1 413 656 44 LEU CA C 51.971 0.0 1 414 656 44 LEU CB C 45.437 0.0 1 415 656 44 LEU CD1 C 23.788 0.0 2 416 656 44 LEU CD2 C 27.148 0.0 2 417 656 44 LEU CG C 27.142 0.0 1 418 657 45 ASN H H 8.812 0.0 1 419 657 45 ASN HA H 4.677 0.0 1 420 657 45 ASN HB2 H 3.084 0.0 2 421 657 45 ASN HB3 H 2.673 0.0 2 422 657 45 ASN HD21 H 7.357 0.0 2 423 657 45 ASN HD22 H 6.661 0.0 2 424 657 45 ASN CA C 51.411 0.0 1 425 657 45 ASN CB C 36.482 0.0 1 426 658 46 PRO HA H 4.678 0.0 1 427 658 46 PRO HB2 H 2.283 0.0 2 428 658 46 PRO HB3 H 2.121 0.0 2 429 658 46 PRO HD2 H 3.7 0.0 2 430 658 46 PRO HG2 H 2.139 0.0 2 431 658 46 PRO HG3 H 1.851 0.0 2 432 658 46 PRO CB C 32.369 0.0 1 433 658 46 PRO CD C 50.105 0.0 1 434 658 46 PRO CG C 28.449 0.0 1 435 659 47 LYS H H 7.93 0.0 1 436 659 47 LYS HA H 3.795 0.0 1 437 659 47 LYS HB2 H 1.725 0.0 2 438 659 47 LYS HD2 H 1.546 0.0 2 439 659 47 LYS HE2 H 2.851 0.0 2 440 659 47 LYS HG2 H 1.362 0.0 2 441 659 47 LYS HG3 H 1.193 0.0 2 442 659 47 LYS CA C 59.355 0.0 1 443 659 47 LYS CB C 32.369 0.0 1 444 659 47 LYS CD C 29.569 0.0 1 445 659 47 LYS CE C 42.264 0.0 1 446 659 47 LYS CG C 25.462 0.0 1 447 660 48 GLU H H 7.927 0.0 1 448 660 48 GLU HA H 3.78 0.0 1 449 660 48 GLU HB2 H 2.162 0.0 2 450 660 48 GLU HB3 H 1.476 0.0 2 451 660 48 GLU HG2 H 2.187 0.0 2 452 660 48 GLU HG3 H 2.05 0.0 2 453 660 48 GLU CA C 58.505 0.0 1 454 660 48 GLU CB C 31.249 0.0 1 455 660 48 GLU CG C 36.29 0.0 1 456 661 49 ARG H H 8.427 0.0 1 457 661 49 ARG HA H 3.792 0.0 1 458 661 49 ARG HB2 H 1.535 0.0 2 459 661 49 ARG HB3 H 1.401 0.0 2 460 661 49 ARG HD2 H 2.767 0.0 2 461 661 49 ARG HE H 6.001 0.0 1 462 661 49 ARG HG2 H 0.858 0.0 2 463 661 49 ARG CA C 59.626 0.0 1 464 661 49 ARG CB C 31.249 0.0 1 465 661 49 ARG CD C 44.131 0.0 1 466 661 49 ARG CG C 29.196 0.0 1 467 662 50 LYS H H 6.77 0.0 1 468 662 50 LYS HA H 3.416 0.0 1 469 662 50 LYS HB2 H 1.611 0.0 2 470 662 50 LYS HB3 H 1.276 0.0 2 471 662 50 LYS HD2 H 1.324 0.0 2 472 662 50 LYS HD3 H 0.964 0.0 2 473 662 50 LYS HE2 H 2.685 0.0 2 474 662 50 LYS HE3 H 2.607 0.0 2 475 662 50 LYS HG2 H 1.04 0.0 2 476 662 50 LYS HG3 H 0.894 0.0 2 477 662 50 LYS CA C 58.505 0.0 1 478 662 50 LYS CB C 31.996 0.0 1 479 662 50 LYS CD C 28.268 0.0 1 480 662 50 LYS CE C 42.083 0.0 1 481 662 50 LYS CG C 24.902 0.0 1 482 663 51 GLN H H 7.507 0.0 1 483 663 51 GLN HA H 4.006 0.0 1 484 663 51 GLN HB2 H 1.983 0.0 2 485 663 51 GLN HE21 H 7.318 0.0 2 486 663 51 GLN HE22 H 6.688 0.0 2 487 663 51 GLN HG2 H 2.409 0.0 2 488 663 51 GLN HG3 H 2.185 0.0 2 489 663 51 GLN CA C 59.252 0.0 1 490 663 51 GLN CB C 28.822 0.0 1 491 663 51 GLN CG C 34.236 0.0 1 492 664 52 VAL H H 8.038 0.0 1 493 664 52 VAL HA H 3.64 0.0 1 494 664 52 VAL HB H 1.893 0.0 1 495 664 52 VAL HG1 H 1.122 0.0 2 496 664 52 VAL HG2 H 0.963 0.0 2 497 664 52 VAL CA C 66.533 0.0 1 498 664 52 VAL CB C 31.623 0.0 1 499 664 52 VAL CG1 C 23.595 0.0 2 500 664 52 VAL CG2 C 24.155 0.0 2 501 665 53 PHE H H 8.756 0.0 1 502 665 53 PHE HA H 4.196 0.0 1 503 665 53 PHE HB2 H 3.207 0.0 2 504 665 53 PHE HD1 H 7.325 0.0 3 505 665 53 PHE HD2 H 7.325 0.0 3 506 665 53 PHE HE1 H 7.045 0.0 3 507 665 53 PHE HE2 H 7.045 0.0 3 508 665 53 PHE CA C 62.613 0.0 1 509 665 53 PHE CB C 40.397 0.0 1 510 665 53 PHE CD1 C 131.669 0.0 3 511 665 53 PHE CE1 C 129.055 0.0 3 512 666 54 ASP H H 9.0 0.0 1 513 666 54 ASP HA H 4.264 0.0 1 514 666 54 ASP HB2 H 2.784 0.0 2 515 666 54 ASP HB3 H 2.506 0.0 2 516 666 54 ASP CA C 57.572 0.0 1 517 666 54 ASP CB C 39.837 0.0 1 518 667 55 GLN H H 7.619 0.0 1 519 667 55 GLN HA H 4.027 0.0 1 520 667 55 GLN HB2 H 2.151 0.0 2 521 667 55 GLN HE21 H 7.416 0.0 2 522 667 55 GLN HE22 H 6.858 0.0 2 523 667 55 GLN HG2 H 2.485 0.0 2 524 667 55 GLN HG3 H 2.391 0.0 2 525 667 55 GLN CA C 58.692 0.0 1 526 667 55 GLN CB C 28.822 0.0 1 527 667 55 GLN CG C 34.05 0.0 1 528 668 56 TYR H H 8.525 0.0 1 529 668 56 TYR HA H 4.095 0.0 1 530 668 56 TYR HB2 H 3.286 0.0 2 531 668 56 TYR HB3 H 2.86 0.0 2 532 668 56 TYR HD1 H 6.737 0.0 3 533 668 56 TYR HD2 H 6.737 0.0 3 534 668 56 TYR HE1 H 6.404 0.0 3 535 668 56 TYR HE2 H 6.404 0.0 3 536 668 56 TYR CA C 61.306 0.0 1 537 668 56 TYR CB C 39.277 0.0 1 538 668 56 TYR CD1 C 132.416 0.0 3 539 668 56 TYR CE1 C 117.481 0.0 3 540 669 57 VAL H H 8.518 0.0 1 541 669 57 VAL HA H 3.076 0.0 1 542 669 57 VAL HB H 1.889 0.0 1 543 669 57 VAL HG1 H 0.647 0.0 2 544 669 57 VAL HG2 H 0.51 0.0 2 545 669 57 VAL CA C 66.72 0.0 1 546 669 57 VAL CB C 31.788 0.0 1 547 669 57 VAL CG1 C 21.542 0.0 2 548 669 57 VAL CG2 C 22.288 0.0 2 549 670 58 LYS H H 7.401 0.0 1 550 670 58 LYS HA H 3.991 0.0 1 551 670 58 LYS HB2 H 1.823 0.0 2 552 670 58 LYS HD2 H 1.584 0.0 2 553 670 58 LYS HE2 H 2.884 0.0 2 554 670 58 LYS HG2 H 1.447 0.0 2 555 670 58 LYS HG3 H 1.312 0.0 2 556 670 58 LYS CA C 58.505 0.0 1 557 670 58 LYS CB C 32.929 0.0 1 558 670 58 LYS CD C 29.569 0.0 1 559 670 58 LYS CE C 42.264 0.0 1 560 670 58 LYS CG C 25.462 0.0 1 561 671 59 THR H H 7.976 0.0 1 562 671 59 THR HA H 3.96 0.0 1 563 671 59 THR HB H 4.107 0.0 1 564 671 59 THR HG2 H 1.154 0.0 1 565 671 59 THR CA C 65.599 0.0 1 566 671 59 THR CB C 69.327 0.0 1 567 671 59 THR CG2 C 22.102 0.0 1 568 672 60 ARG H H 8.262 0.0 1 569 672 60 ARG HA H 3.889 0.0 1 570 672 60 ARG HB2 H 1.354 0.0 2 571 672 60 ARG HB3 H 1.185 0.0 2 572 672 60 ARG HD2 H 2.961 0.0 2 573 672 60 ARG HD3 H 2.79 0.0 2 574 672 60 ARG HE H 7.128 0.0 1 575 672 60 ARG HG2 H 1.16 0.0 2 576 672 60 ARG HG3 H 1.006 0.0 2 577 672 60 ARG CA C 57.572 0.0 1 578 672 60 ARG CB C 29.584 0.0 1 579 672 60 ARG CD C 42.456 0.0 1 580 672 60 ARG CG C 26.582 0.0 1 581 673 61 ALA H H 7.955 0.0 1 582 673 61 ALA HA H 3.816 0.0 1 583 673 61 ALA HB H 1.264 0.0 1 584 673 61 ALA CA C 55.332 0.0 1 585 673 61 ALA CB C 18.566 0.0 1 586 674 62 GLU H H 7.286 0.0 1 587 674 62 GLU HA H 4.029 0.0 1 588 674 62 GLU HB2 H 2.08 0.0 2 589 674 62 GLU HB3 H 1.994 0.0 2 590 674 62 GLU HG2 H 2.323 0.0 2 591 674 62 GLU HG3 H 2.216 0.0 2 592 674 62 GLU CA C 58.692 0.0 1 593 674 62 GLU CB C 29.575 0.0 1 594 674 62 GLU CG C 36.476 0.0 1 595 675 63 GLU H H 7.851 0.0 1 596 675 63 GLU HA H 4.031 0.0 1 597 675 63 GLU HB2 H 2.031 0.0 2 598 675 63 GLU HG2 H 2.338 0.0 2 599 675 63 GLU HG3 H 2.197 0.0 2 600 675 63 GLU CA C 58.879 0.0 1 601 675 63 GLU CB C 30.316 0.0 1 602 675 63 GLU CG C 36.663 0.0 1 603 676 64 GLU H H 8.266 0.0 1 604 676 64 GLU HA H 4.026 0.0 1 605 676 64 GLU HB2 H 2.19 0.0 2 606 676 64 GLU HB3 H 2.052 0.0 2 607 676 64 GLU HG2 H 2.335 0.0 2 608 676 64 GLU HG3 H 2.203 0.0 2 609 676 64 GLU CA C 58.879 0.0 1 610 676 64 GLU CB C 30.135 0.0 1 611 676 64 GLU CG C 36.669 0.0 1 612 677 65 ARG H H 7.906 0.0 1 613 677 65 ARG HA H 4.093 0.0 1 614 677 65 ARG HB2 H 1.948 0.0 2 615 677 65 ARG HB3 H 1.862 0.0 2 616 677 65 ARG HD2 H 3.145 0.0 2 617 677 65 ARG HG2 H 1.725 0.0 2 618 677 65 ARG HG3 H 1.579 0.0 2 619 677 65 ARG CA C 58.132 0.0 1 620 677 65 ARG CB C 30.695 0.0 1 621 677 65 ARG CD C 43.757 0.0 1 622 677 65 ARG CG C 28.081 0.0 1 623 678 66 ARG H H 7.801 0.0 1 624 678 66 ARG HA H 4.094 0.0 1 625 678 66 ARG HB2 H 1.824 0.0 2 626 678 66 ARG HD2 H 3.139 0.0 2 627 678 66 ARG HG2 H 1.684 0.0 2 628 678 66 ARG HG3 H 1.565 0.0 2 629 678 66 ARG CA C 57.759 0.0 1 630 678 66 ARG CB C 31.063 0.0 1 631 678 66 ARG CD C 43.757 0.0 1 632 678 66 ARG CG C 28.081 0.0 1 633 679 67 GLU H H 8.092 0.0 1 634 679 67 GLU HA H 4.11 0.0 1 635 679 67 GLU HB2 H 1.98 0.0 2 636 679 67 GLU HG2 H 2.315 0.0 2 637 679 67 GLU HG3 H 2.208 0.0 2 638 679 67 GLU CA C 57.385 0.0 1 639 679 67 GLU CB C 30.135 0.0 1 640 679 67 GLU CG C 36.482 0.0 1 641 680 68 LYS H H 8.075 0.0 1 642 680 68 LYS HA H 4.198 0.0 1 643 680 68 LYS HB2 H 1.778 0.0 2 644 680 68 LYS HD2 H 1.605 0.0 2 645 680 68 LYS HE2 H 2.924 0.0 2 646 680 68 LYS HG2 H 1.439 0.0 2 647 680 68 LYS CA C 56.825 0.0 1 648 680 68 LYS CB C 32.929 0.0 1 649 680 68 LYS CD C 29.196 0.0 1 650 680 68 LYS CG C 25.275 0.0 1 651 681 69 LYS H H 8.13 0.0 1 652 681 69 LYS HA H 4.222 0.0 1 653 681 69 LYS HB2 H 1.775 0.0 2 654 681 69 LYS HD2 H 1.605 0.0 2 655 681 69 LYS HE2 H 2.929 0.0 2 656 681 69 LYS HG2 H 1.387 0.0 2 657 681 69 LYS CA C 56.639 0.0 1 658 681 69 LYS CB C 33.303 0.0 1 659 681 69 LYS CD C 29.382 0.0 1 660 681 69 LYS CG C 25.089 0.0 1 661 682 70 ASN H H 8.334 0.0 1 662 682 70 ASN HA H 4.638 0.0 1 663 682 70 ASN HB2 H 2.778 0.0 2 664 682 70 ASN HB3 H 2.687 0.0 2 665 682 70 ASN HD21 H 7.604 0.0 2 666 682 70 ASN CA C 53.465 0.0 1 667 682 70 ASN CB C 39.277 0.0 1 668 683 71 LYS H H 7.818 0.0 1 669 683 71 LYS HA H 4.048 0.0 1 670 683 71 LYS HB2 H 1.744 0.0 2 671 683 71 LYS HB3 H 1.651 0.0 1 672 683 71 LYS CB C 34.055 0.0 1 stop_ save_ save_assigned_chem_shift_list_N _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Aria stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '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 'CA150 FF1+linker' _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 1 614 2 ALA HA H 4.3 0.0 1 2 614 2 ALA HB H 1.33 0.0 1 3 615 3 MET H H 8.561 0.0 1 4 615 3 MET HA H 4.395 0.0 1 5 615 3 MET HG2 H 2.007 0.0 2 6 615 3 MET N N 120.395 0.0 1 7 616 4 GLY H H 8.499 0.0 1 8 616 4 GLY HA2 H 3.972 0.0 2 9 616 4 GLY N N 110.0 0.0 1 10 617 5 SER H H 8.467 0.0 1 11 617 5 SER HA H 4.362 0.0 1 12 617 5 SER HB2 H 4.246 0.0 2 13 617 5 SER HB3 H 3.997 0.0 2 14 617 5 SER N N 117.949 0.0 1 15 618 6 LEU H H 8.786 0.0 1 16 618 6 LEU HA H 3.944 0.0 1 17 618 6 LEU HB2 H 1.739 0.0 2 18 618 6 LEU HD1 H 0.856 0.0 2 19 618 6 LEU HD2 H 0.802 0.0 2 20 618 6 LEU HG H 1.483 0.0 1 21 618 6 LEU N N 124.471 0.0 1 22 619 7 GLU H H 8.702 0.0 1 23 619 7 GLU HA H 3.839 0.0 1 24 619 7 GLU HB2 H 1.983 0.0 2 25 619 7 GLU HB3 H 1.864 0.0 2 26 619 7 GLU HG2 H 2.247 0.0 2 27 619 7 GLU N N 118.153 0.0 1 28 620 8 ALA H H 7.933 0.0 1 29 620 8 ALA HA H 4.131 0.0 1 30 620 8 ALA HB H 1.451 0.0 1 31 620 8 ALA N N 123.248 0.0 1 32 621 9 ARG H H 8.371 0.0 1 33 621 9 ARG HA H 4.047 0.0 1 34 621 9 ARG HB2 H 1.947 0.0 2 35 621 9 ARG HB3 H 1.845 0.0 2 36 621 9 ARG HD2 H 3.484 0.0 2 37 621 9 ARG HD3 H 3.324 0.0 2 38 621 9 ARG HE H 6.407 0.0 1 39 621 9 ARG HG2 H 1.631 0.0 2 40 621 9 ARG HG3 H 1.569 0.0 2 41 621 9 ARG N N 120.395 0.0 1 42 621 9 ARG NE N 109.796 0.0 1 43 622 10 MET H H 8.967 0.0 1 44 622 10 MET HA H 3.954 0.0 1 45 622 10 MET HB2 H 2.111 0.0 2 46 622 10 MET HB3 H 1.986 0.0 2 47 622 10 MET HG2 H 2.834 0.0 2 48 622 10 MET N N 118.764 0.0 1 49 623 11 LYS H H 7.75 0.0 1 50 623 11 LYS HA H 4.009 0.0 1 51 623 11 LYS HB2 H 1.977 0.0 2 52 623 11 LYS HG2 H 1.419 0.0 2 53 623 11 LYS N N 120.802 0.0 1 54 624 12 GLN H H 7.812 0.0 1 55 624 12 GLN HA H 4.113 0.0 1 56 624 12 GLN HB2 H 2.207 0.0 2 57 624 12 GLN HB3 H 1.837 0.0 2 58 624 12 GLN HE21 H 7.198 0.0 2 59 624 12 GLN HE22 H 6.842 0.0 2 60 624 12 GLN HG2 H 2.533 0.0 2 61 624 12 GLN HG3 H 2.315 0.0 2 62 624 12 GLN N N 117.541 0.0 1 63 624 12 GLN NE2 N 111.019 0.0 1 64 625 13 PHE H H 8.268 0.0 1 65 625 13 PHE HA H 3.813 0.0 1 66 625 13 PHE HB2 H 3.231 0.0 2 67 625 13 PHE HB3 H 2.936 0.0 2 68 625 13 PHE HD1 H 7.18 0.0 3 69 625 13 PHE HD2 H 7.18 0.0 3 70 625 13 PHE HE1 H 7.366 0.0 3 71 625 13 PHE HE2 H 7.366 0.0 3 72 625 13 PHE HZ H 7.261 0.0 1 73 625 13 PHE N N 120.395 0.0 1 74 626 14 LYS H H 8.51 0.0 1 75 626 14 LYS HA H 3.637 0.0 1 76 626 14 LYS HB2 H 2.072 0.0 2 77 626 14 LYS HB3 H 1.939 0.0 2 78 626 14 LYS HD2 H 1.753 0.0 2 79 626 14 LYS HE2 H 2.959 0.0 2 80 626 14 LYS HG2 H 1.55 0.0 2 81 626 14 LYS N N 120.395 0.0 1 82 627 15 ASP H H 8.594 0.0 1 83 627 15 ASP HA H 4.299 0.0 1 84 627 15 ASP HB2 H 2.856 0.0 2 85 627 15 ASP HB3 H 2.555 0.0 2 86 627 15 ASP N N 120.851 0.0 1 87 628 16 MET H H 7.744 0.0 1 88 628 16 MET HA H 3.651 0.0 1 89 628 16 MET HB2 H 2.366 0.0 2 90 628 16 MET HB3 H 1.53 0.0 2 91 628 16 MET HE H 1.036 0.0 1 92 628 16 MET HG2 H 2.307 0.0 2 93 628 16 MET HG3 H 1.828 0.0 2 94 628 16 MET N N 121.21 0.0 1 95 629 17 LEU H H 7.527 0.0 1 96 629 17 LEU HA H 3.334 0.0 1 97 629 17 LEU HB2 H 1.435 0.0 2 98 629 17 LEU HD1 H 0.641 0.0 2 99 629 17 LEU HD2 H 0.028 0.0 2 100 629 17 LEU HG H 1.837 0.0 1 101 629 17 LEU N N 118.153 0.0 1 102 630 18 LEU H H 6.955 0.0 1 103 630 18 LEU HA H 4.358 0.0 1 104 630 18 LEU HB2 H 1.856 0.0 2 105 630 18 LEU HD1 H 1.01 0.0 2 106 630 18 LEU HD2 H 0.944 0.0 2 107 630 18 LEU HG H 1.624 0.0 1 108 630 18 LEU N N 117.083 0.0 1 109 631 19 GLU H H 8.53 0.0 1 110 631 19 GLU HA H 3.868 0.0 1 111 631 19 GLU HB2 H 2.03 0.0 2 112 631 19 GLU HB3 H 1.925 0.0 2 113 631 19 GLU HG2 H 2.42 0.0 2 114 631 19 GLU HG3 H 2.165 0.0 2 115 631 19 GLU N N 121.414 0.0 1 116 632 20 ARG H H 8.374 0.0 1 117 632 20 ARG HA H 4.278 0.0 1 118 632 20 ARG HB2 H 1.967 0.0 2 119 632 20 ARG HB3 H 1.571 0.0 2 120 632 20 ARG HD2 H 3.197 0.0 2 121 632 20 ARG HE H 7.728 0.0 1 122 632 20 ARG HG2 H 1.656 0.0 2 123 632 20 ARG HG3 H 1.502 0.0 2 124 632 20 ARG N N 113.465 0.0 1 125 632 20 ARG NE N 110.611 0.0 1 126 633 21 GLY H H 7.675 0.0 1 127 633 21 GLY HA2 H 3.837 0.0 2 128 633 21 GLY N N 107.554 0.0 1 129 634 22 VAL H H 8.096 0.0 1 130 634 22 VAL HA H 3.806 0.0 1 131 634 22 VAL HB H 1.798 0.0 1 132 634 22 VAL HG1 H 1.075 0.0 2 133 634 22 VAL HG2 H 0.815 0.0 2 134 634 22 VAL N N 121.414 0.0 1 135 635 23 SER H H 9.014 0.0 1 136 635 23 SER HA H 4.494 0.0 1 137 635 23 SER HB2 H 3.9 0.0 2 138 635 23 SER HB3 H 3.58 0.0 2 139 635 23 SER N N 126.509 0.0 1 140 636 24 ALA H H 8.919 0.0 1 141 636 24 ALA HA H 4.0 0.0 1 142 636 24 ALA HB H 0.695 0.0 1 143 636 24 ALA N N 126.713 0.0 1 144 637 25 PHE H H 8.12 0.0 1 145 637 25 PHE HA H 4.734 0.0 1 146 637 25 PHE HB2 H 3.389 0.0 2 147 637 25 PHE HB3 H 2.551 0.0 2 148 637 25 PHE HD1 H 7.139 0.0 3 149 637 25 PHE HD2 H 7.139 0.0 3 150 637 25 PHE HE1 H 7.235 0.0 3 151 637 25 PHE HE2 H 7.235 0.0 3 152 637 25 PHE N N 117.541 0.0 1 153 638 26 SER H H 7.795 0.0 1 154 638 26 SER HA H 4.829 0.0 1 155 638 26 SER HB2 H 3.744 0.0 2 156 638 26 SER HB3 H 3.55 0.0 2 157 638 26 SER N N 117.133 0.0 1 158 639 27 THR H H 8.88 0.0 1 159 639 27 THR HA H 4.935 0.0 1 160 639 27 THR HB H 4.639 0.0 1 161 639 27 THR HG2 H 1.288 0.0 1 162 639 27 THR N N 111.426 0.0 1 163 640 28 TRP H H 9.317 0.0 1 164 640 28 TRP HA H 3.558 0.0 1 165 640 28 TRP HB2 H 2.904 0.0 2 166 640 28 TRP HD1 H 6.961 0.0 1 167 640 28 TRP HE1 H 10.164 0.0 1 168 640 28 TRP HE3 H 5.715 0.0 1 169 640 28 TRP HZ2 H 7.633 0.0 1 170 640 28 TRP HZ3 H 6.549 0.0 1 171 640 28 TRP N N 123.452 0.0 1 172 640 28 TRP NE1 N 129.567 0.0 1 173 641 29 GLU H H 8.823 0.0 1 174 641 29 GLU HA H 3.576 0.0 1 175 641 29 GLU HB2 H 2.314 0.0 2 176 641 29 GLU HG2 H 2.518 0.0 2 177 641 29 GLU N N 113.668 0.0 1 178 642 30 LYS H H 7.661 0.0 1 179 642 30 LYS HA H 4.125 0.0 1 180 642 30 LYS HB2 H 2.01 0.0 2 181 642 30 LYS HB3 H 1.897 0.0 2 182 642 30 LYS HD2 H 1.727 0.0 2 183 642 30 LYS HG2 H 1.5 0.0 2 184 642 30 LYS HG3 H 1.412 0.0 2 185 642 30 LYS N N 118.56 0.0 1 186 643 31 GLU H H 7.735 0.0 1 187 643 31 GLU HA H 4.049 0.0 1 188 643 31 GLU HB2 H 2.185 0.0 2 189 643 31 GLU HB3 H 1.735 0.0 2 190 643 31 GLU HG2 H 2.803 0.0 2 191 643 31 GLU HG3 H 2.493 0.0 2 192 643 31 GLU N N 115.503 0.0 1 193 644 32 LEU H H 7.21 0.0 1 194 644 32 LEU HA H 3.144 0.0 1 195 644 32 LEU HB2 H 1.132 0.0 2 196 644 32 LEU HB3 H 0.919 0.0 2 197 644 32 LEU HD1 H 0.471 0.0 2 198 644 32 LEU HD2 H 0.282 0.0 2 199 644 32 LEU HG H 0.936 0.0 1 200 644 32 LEU N N 121.21 0.0 1 201 645 33 HIS H H 8.465 0.0 1 202 645 33 HIS HA H 4.011 0.0 1 203 645 33 HIS HB2 H 3.141 0.0 2 204 645 33 HIS HB3 H 2.964 0.0 2 205 645 33 HIS HD2 H 7.154 0.0 1 206 645 33 HIS N N 114.28 0.0 1 207 646 34 LYS H H 7.426 0.0 1 208 646 34 LYS HA H 3.808 0.0 1 209 646 34 LYS HB2 H 1.721 0.0 2 210 646 34 LYS HB3 H 1.504 0.0 2 211 646 34 LYS HD2 H 1.439 0.0 2 212 646 34 LYS HG2 H 0.986 0.0 2 213 646 34 LYS HG3 H 0.267 0.0 2 214 646 34 LYS N N 117.541 0.0 1 215 647 35 ILE H H 7.152 0.0 1 216 647 35 ILE HA H 4.159 0.0 1 217 647 35 ILE HB H 1.94 0.0 1 218 647 35 ILE HD1 H 0.341 0.0 1 219 647 35 ILE HG2 H 0.522 0.0 1 220 647 35 ILE N N 132.013 0.0 1 221 648 36 VAL H H 6.893 0.0 1 222 648 36 VAL HA H 2.232 0.0 1 223 648 36 VAL HB H 1.335 0.0 1 224 648 36 VAL HG1 H 0.303 0.0 2 225 648 36 VAL HG2 H 0.171 0.0 2 226 648 36 VAL N N 118.886 0.0 1 227 649 37 PHE H H 7.244 0.0 1 228 649 37 PHE HA H 4.629 0.0 1 229 649 37 PHE HB2 H 3.126 0.0 2 230 649 37 PHE HB3 H 2.849 0.0 2 231 649 37 PHE HD1 H 7.076 0.0 3 232 649 37 PHE HD2 H 7.076 0.0 3 233 649 37 PHE N N 115.707 0.0 1 234 650 38 ASP H H 7.523 0.0 1 235 650 38 ASP HA H 4.699 0.0 1 236 650 38 ASP HB2 H 3.314 0.0 2 237 650 38 ASP HB3 H 2.058 0.0 2 238 650 38 ASP N N 127.325 0.0 1 239 651 39 PRO HA H 4.268 0.0 1 240 651 39 PRO HB2 H 2.42 0.0 2 241 651 39 PRO HB3 H 1.919 0.0 2 242 651 39 PRO HD2 H 3.94 0.0 2 243 651 39 PRO HD3 H 3.737 0.0 2 244 651 39 PRO HG2 H 2.052 0.0 2 245 652 40 ARG H H 9.45 0.0 1 246 652 40 ARG HA H 3.979 0.0 1 247 652 40 ARG HB2 H 2.192 0.0 2 248 652 40 ARG HB3 H 1.522 0.0 2 249 652 40 ARG HD2 H 3.357 0.0 2 250 652 40 ARG HD3 H 3.003 0.0 2 251 652 40 ARG HE H 7.881 0.0 1 252 652 40 ARG HG2 H 1.756 0.0 2 253 652 40 ARG HG3 H 1.691 0.0 2 254 652 40 ARG N N 118.153 0.0 1 255 652 40 ARG NE N 110.203 0.0 1 256 653 41 TYR H H 8.314 0.0 1 257 653 41 TYR HA H 4.158 0.0 1 258 653 41 TYR HB2 H 3.351 0.0 2 259 653 41 TYR HB3 H 3.011 0.0 2 260 653 41 TYR HD1 H 6.763 0.0 3 261 653 41 TYR HD2 H 6.763 0.0 3 262 653 41 TYR N N 121.006 0.0 1 263 654 42 LEU H H 6.988 0.0 1 264 654 42 LEU HA H 4.092 0.0 1 265 654 42 LEU HB2 H 1.913 0.0 2 266 654 42 LEU HD1 H 0.974 0.0 2 267 654 42 LEU HD2 H 0.93 0.0 2 268 654 42 LEU HG H 1.745 0.0 1 269 654 42 LEU N N 111.63 0.0 1 270 655 43 LEU H H 7.483 0.0 1 271 655 43 LEU HA H 4.044 0.0 1 272 655 43 LEU HB2 H 1.968 0.0 2 273 655 43 LEU HB3 H 1.386 0.0 2 274 655 43 LEU HD1 H 1.01 0.0 2 275 655 43 LEU HD2 H 0.852 0.0 2 276 655 43 LEU HG H 1.799 0.0 1 277 655 43 LEU N N 116.726 0.0 1 278 656 44 LEU H H 6.517 0.0 1 279 656 44 LEU HA H 4.569 0.0 1 280 656 44 LEU HB2 H 1.392 0.0 2 281 656 44 LEU HB3 H 0.777 0.0 2 282 656 44 LEU HD1 H 0.543 0.0 2 283 656 44 LEU HD2 H 0.014 0.0 2 284 656 44 LEU HG H 1.098 0.0 1 285 656 44 LEU N N 114.076 0.0 1 286 657 45 ASN H H 8.807 0.0 1 287 657 45 ASN HA H 4.677 0.0 1 288 657 45 ASN HB2 H 3.087 0.0 2 289 657 45 ASN HB3 H 2.676 0.0 2 290 657 45 ASN HD21 H 7.348 0.0 2 291 657 45 ASN HD22 H 6.66 0.0 2 292 657 45 ASN N N 119.783 0.0 1 293 657 45 ASN ND2 N 111.834 0.0 1 294 658 46 PRO HB2 H 2.288 0.0 2 295 658 46 PRO HD2 H 3.71 0.0 2 296 658 46 PRO HG3 H 1.858 0.0 2 297 659 47 LYS H H 7.926 0.0 1 298 659 47 LYS HA H 3.801 0.0 1 299 659 47 LYS HB2 H 1.726 0.0 2 300 659 47 LYS HD2 H 1.547 0.0 2 301 659 47 LYS HG2 H 1.362 0.0 2 302 659 47 LYS HG3 H 1.198 0.0 2 303 659 47 LYS N N 118.599 0.0 1 304 660 48 GLU H H 7.923 0.0 1 305 660 48 GLU HA H 3.777 0.0 1 306 660 48 GLU HB2 H 2.163 0.0 2 307 660 48 GLU HB3 H 1.475 0.0 2 308 660 48 GLU HG2 H 2.189 0.0 2 309 660 48 GLU HG3 H 2.08 0.0 2 310 660 48 GLU N N 121.21 0.0 1 311 661 49 ARG H H 8.416 0.0 1 312 661 49 ARG HA H 3.778 0.0 1 313 661 49 ARG HB2 H 1.535 0.0 2 314 661 49 ARG HB3 H 1.416 0.0 2 315 661 49 ARG HD2 H 2.786 0.0 2 316 661 49 ARG HE H 6.008 0.0 1 317 661 49 ARG HG2 H 0.866 0.0 2 318 661 49 ARG N N 117.337 0.0 1 319 661 49 ARG NE N 111.834 0.0 1 320 662 50 LYS H H 6.76 0.0 1 321 662 50 LYS HA H 3.431 0.0 1 322 662 50 LYS HB2 H 1.615 0.0 2 323 662 50 LYS HB3 H 1.278 0.0 2 324 662 50 LYS HE2 H 2.76 0.0 2 325 662 50 LYS HG2 H 1.036 0.0 2 326 662 50 LYS HG3 H 0.895 0.0 2 327 662 50 LYS N N 116.592 0.0 1 328 663 51 GLN H H 7.503 0.0 1 329 663 51 GLN HA H 4.01 0.0 1 330 663 51 GLN HB2 H 1.99 0.0 2 331 663 51 GLN HE21 H 7.306 0.0 2 332 663 51 GLN HE22 H 6.675 0.0 2 333 663 51 GLN HG2 H 2.407 0.0 2 334 663 51 GLN HG3 H 2.177 0.0 2 335 663 51 GLN N N 118.56 0.0 1 336 663 51 GLN NE2 N 110.611 0.0 1 337 664 52 VAL H H 8.035 0.0 1 338 664 52 VAL HA H 3.653 0.0 1 339 664 52 VAL HB H 1.914 0.0 1 340 664 52 VAL HG1 H 1.123 0.0 2 341 664 52 VAL HG2 H 0.964 0.0 2 342 664 52 VAL N N 119.172 0.0 1 343 665 53 PHE H H 8.74 0.0 1 344 665 53 PHE HA H 4.217 0.0 1 345 665 53 PHE HB2 H 3.189 0.0 2 346 665 53 PHE HD1 H 7.326 0.0 3 347 665 53 PHE HE1 H 7.049 0.0 3 348 665 53 PHE HE2 H 7.049 0.0 3 349 665 53 PHE N N 122.433 0.0 1 350 666 54 ASP H H 9.001 0.0 1 351 666 54 ASP HA H 4.262 0.0 1 352 666 54 ASP HB2 H 2.799 0.0 2 353 666 54 ASP HB3 H 2.517 0.0 2 354 666 54 ASP N N 119.172 0.0 1 355 667 55 GLN H H 7.616 0.0 1 356 667 55 GLN HA H 4.026 0.0 1 357 667 55 GLN HB2 H 2.15 0.0 2 358 667 55 GLN HE21 H 7.42 0.0 2 359 667 55 GLN HE22 H 6.861 0.0 2 360 667 55 GLN HG2 H 2.497 0.0 2 361 667 55 GLN HG3 H 2.38 0.0 2 362 667 55 GLN N N 119.769 0.0 1 363 667 55 GLN NE2 N 112.242 0.0 1 364 668 56 TYR H H 8.52 0.0 1 365 668 56 TYR HA H 4.105 0.0 1 366 668 56 TYR HB2 H 3.275 0.0 2 367 668 56 TYR HB3 H 2.871 0.0 2 368 668 56 TYR HD1 H 6.745 0.0 3 369 668 56 TYR HD2 H 6.745 0.0 3 370 668 56 TYR HE1 H 6.405 0.0 3 371 668 56 TYR HE2 H 6.405 0.0 3 372 668 56 TYR N N 123.86 0.0 1 373 669 57 VAL H H 8.517 0.0 1 374 669 57 VAL HA H 3.085 0.0 1 375 669 57 VAL HB H 1.877 0.0 1 376 669 57 VAL HG1 H 0.647 0.0 2 377 669 57 VAL HG2 H 0.511 0.0 2 378 669 57 VAL N N 118.153 0.0 1 379 670 58 LYS H H 7.393 0.0 1 380 670 58 LYS HA H 4.022 0.0 1 381 670 58 LYS HB2 H 1.822 0.0 2 382 670 58 LYS HD2 H 1.567 0.0 2 383 670 58 LYS HE2 H 2.882 0.0 2 384 670 58 LYS HG2 H 1.444 0.0 2 385 670 58 LYS HG3 H 1.315 0.0 2 386 670 58 LYS N N 118.968 0.0 1 387 671 59 THR H H 7.971 0.0 1 388 671 59 THR HA H 3.965 0.0 1 389 671 59 THR HB H 4.121 0.0 1 390 671 59 THR HG2 H 1.156 0.0 1 391 671 59 THR N N 113.668 0.0 1 392 672 60 ARG H H 8.248 0.0 1 393 672 60 ARG HA H 3.886 0.0 1 394 672 60 ARG HB2 H 1.361 0.0 2 395 672 60 ARG HB3 H 1.189 0.0 2 396 672 60 ARG HD2 H 2.961 0.0 2 397 672 60 ARG HD3 H 2.794 0.0 2 398 672 60 ARG HE H 7.127 0.0 1 399 672 60 ARG HG2 H 1.164 0.0 2 400 672 60 ARG HG3 H 1.007 0.0 2 401 672 60 ARG N N 122.229 0.0 1 402 672 60 ARG NE N 110.815 0.0 1 403 673 61 ALA H H 7.94 0.0 1 404 673 61 ALA HA H 3.826 0.0 1 405 673 61 ALA HB H 1.269 0.0 1 406 673 61 ALA N N 121.414 0.0 1 407 674 62 GLU H H 7.61 0.0 1 408 674 62 GLU HA H 4.034 0.0 1 409 674 62 GLU HB2 H 2.081 0.0 2 410 674 62 GLU HB3 H 1.993 0.0 2 411 674 62 GLU HG2 H 2.321 0.0 2 412 674 62 GLU HG3 H 2.213 0.0 2 413 674 62 GLU N N 116.93 0.0 1 414 675 63 GLU H H 7.844 0.0 1 415 675 63 GLU HA H 3.996 0.0 1 416 675 63 GLU HB2 H 2.028 0.0 2 417 675 63 GLU HG2 H 2.335 0.0 2 418 675 63 GLU HG3 H 2.193 0.0 2 419 675 63 GLU N N 119.783 0.0 1 420 676 64 GLU H H 8.262 0.0 1 421 676 64 GLU HA H 4.026 0.0 1 422 676 64 GLU HB2 H 2.188 0.0 2 423 676 64 GLU HB3 H 2.044 0.0 2 424 676 64 GLU HG2 H 2.334 0.0 2 425 676 64 GLU HG3 H 2.197 0.0 2 426 676 64 GLU N N 119.579 0.0 1 427 677 65 ARG H H 7.902 0.0 1 428 677 65 ARG HA H 4.104 0.0 1 429 677 65 ARG HB2 H 1.949 0.0 2 430 677 65 ARG HB3 H 1.861 0.0 2 431 677 65 ARG HD2 H 3.144 0.0 2 432 677 65 ARG HG2 H 1.725 0.0 2 433 677 65 ARG HG3 H 1.583 0.0 2 434 677 65 ARG N N 118.968 0.0 1 435 678 66 ARG H H 7.801 0.0 1 436 678 66 ARG HA H 4.099 0.0 1 437 678 66 ARG HB2 H 1.825 0.0 2 438 678 66 ARG HD2 H 3.137 0.0 2 439 678 66 ARG HG2 H 1.685 0.0 2 440 678 66 ARG HG3 H 1.563 0.0 1 441 678 66 ARG N N 119.783 0.0 1 442 679 67 GLU H H 8.097 0.0 1 443 679 67 GLU HA H 4.118 0.0 1 444 679 67 GLU HB2 H 1.977 0.0 2 445 679 67 GLU HG2 H 2.314 0.0 2 446 679 67 GLU HG3 H 2.207 0.0 2 447 679 67 GLU N N 120.395 0.0 1 448 680 68 LYS H H 8.06 0.0 1 449 680 68 LYS HA H 4.181 0.0 1 450 680 68 LYS HB2 H 1.777 0.0 2 451 680 68 LYS HD2 H 1.606 0.0 2 452 680 68 LYS HG2 H 1.44 0.0 2 453 680 68 LYS N N 121.21 0.0 1 454 681 69 LYS H H 8.129 0.0 1 455 681 69 LYS HA H 4.208 0.0 1 456 681 69 LYS HB2 H 1.773 0.0 2 457 681 69 LYS HD2 H 1.605 0.0 2 458 681 69 LYS HG2 H 1.386 0.0 2 459 681 69 LYS N N 121.821 0.0 1 460 682 70 ASN H H 8.333 0.0 1 461 682 70 ASN HA H 4.641 0.0 1 462 682 70 ASN HB2 H 2.778 0.0 2 463 682 70 ASN HB3 H 2.693 0.0 2 464 682 70 ASN HD21 H 7.592 0.0 2 465 682 70 ASN HD22 H 6.876 0.0 2 466 682 70 ASN N N 119.783 0.0 1 467 682 70 ASN ND2 N 113.465 0.0 1 468 683 71 LYS H H 7.816 0.0 1 469 683 71 LYS HA H 4.043 0.0 1 470 683 71 LYS HB2 H 1.754 0.0 2 471 683 71 LYS HB3 H 1.638 0.0 2 472 683 71 LYS N N 126.306 0.0 1 stop_ save_