data_50218 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; UvrD_CTD ; _BMRB_accession_number 50218 _BMRB_flat_file_name bmr50218.str _Entry_type original _Submission_date 2020-03-29 _Accession_date 2020-03-29 _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 Kawale Ashish A. . 2 Burmann Bjorn M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 404 "13C chemical shifts" 315 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-12 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50219 'Mfd RID' stop_ _Original_release_date 2020-03-30 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; UvrD helicase-RNA polymerase interactions are governed by UvrD's carboxy-terminal Tudor domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kawale Ashish A. . 2 Burmann Bjorn M. . stop_ _Journal_abbreviation 'Commun. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'UvrD, Tudor, TCR, DNA repair' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name UvrD_CTD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UvrD_CTD $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; RLRATVSRPVSHQRMGTPMV ENDSGYKLGQRVRHAKFGEG TIVNMEGSGEHSRLQVAFQG QGIKWLVAAYARLESV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 645 ARG 2 646 LEU 3 647 ARG 4 648 ALA 5 649 THR 6 650 VAL 7 651 SER 8 652 ARG 9 653 PRO 10 654 VAL 11 655 SER 12 656 HIS 13 657 GLN 14 658 ARG 15 659 MET 16 660 GLY 17 661 THR 18 662 PRO 19 663 MET 20 664 VAL 21 665 GLU 22 666 ASN 23 667 ASP 24 668 SER 25 669 GLY 26 670 TYR 27 671 LYS 28 672 LEU 29 673 GLY 30 674 GLN 31 675 ARG 32 676 VAL 33 677 ARG 34 678 HIS 35 679 ALA 36 680 LYS 37 681 PHE 38 682 GLY 39 683 GLU 40 684 GLY 41 685 THR 42 686 ILE 43 687 VAL 44 688 ASN 45 689 MET 46 690 GLU 47 691 GLY 48 692 SER 49 693 GLY 50 694 GLU 51 695 HIS 52 696 SER 53 697 ARG 54 698 LEU 55 699 GLN 56 700 VAL 57 701 ALA 58 702 PHE 59 703 GLN 60 704 GLY 61 705 GLN 62 706 GLY 63 707 ILE 64 708 LYS 65 709 TRP 66 710 LEU 67 711 VAL 68 712 ALA 69 713 ALA 70 714 TYR 71 715 ALA 72 716 ARG 73 717 LEU 74 718 GLU 75 719 SER 76 720 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 'E. coli' 562 Bacteria . Escherichia coli K12 uvrD stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21(DE3) pLysS' plasmid pET28b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; [KH2PO4 ]: 13.3 mM [K2HPO4 ]: 0.7 mM ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 650 uM '[U-100% 13C; U-100% 15N]' 'potassium phosphate buffer' 20 mM 'natural abundance' KCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRFAM-SPARKY _Version 1.413 loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_HBCBCGCDHD_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD' _Sample_label $sample_1 save_ save_2D_HBCBCGCDCEHE_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDCEHE' _Sample_label $sample_1 save_ save_15N-(1H)_NOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-(1H) NOE' _Sample_label $sample_1 save_ save_3D_HCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 0.070 . M pH 6.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D HCACO' '3D 1H-15N NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name UvrD_CTD _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 1 645 1 ARG H H 8.195 0.00 . 2 645 1 ARG HA H 4.318 0.00 . 3 645 1 ARG HB2 H 1.831 0.00 . 4 645 1 ARG HB3 H 1.751 0.00 . 5 645 1 ARG HD2 H 3.158 0.00 . 6 645 1 ARG HD3 H 3.158 0.00 . 7 645 1 ARG C C 176.243 0.01 . 8 645 1 ARG CA C 56.149 0.00 . 9 645 1 ARG CB C 30.557 0.02 . 10 645 1 ARG CD C 43.196 0.00 . 11 645 1 ARG N N 120.668 0.02 . 12 646 2 LEU H H 8.185 0.00 . 13 646 2 LEU HA H 4.333 0.02 . 14 646 2 LEU HB2 H 1.631 0.02 . 15 646 2 LEU HB3 H 1.572 0.02 . 16 646 2 LEU HG H 1.602 0.01 . 17 646 2 LEU HD1 H 0.900 0.02 . 18 646 2 LEU HD2 H 0.855 0.01 . 19 646 2 LEU C C 177.085 0.00 . 20 646 2 LEU CA C 55.274 0.09 . 21 646 2 LEU CB C 42.321 0.11 . 22 646 2 LEU CG C 27.029 0.07 . 23 646 2 LEU CD1 C 24.770 0.10 . 24 646 2 LEU CD2 C 23.580 0.08 . 25 646 2 LEU N N 123.057 0.04 . 26 647 3 ARG H H 8.209 0.00 . 27 647 3 ARG HA H 4.323 0.00 . 28 647 3 ARG HB2 H 1.870 0.00 . 29 647 3 ARG HB3 H 1.792 0.00 . 30 647 3 ARG HD2 H 3.158 0.00 . 31 647 3 ARG HD3 H 3.158 0.00 . 32 647 3 ARG C C 175.669 0.02 . 33 647 3 ARG CA C 55.928 0.00 . 34 647 3 ARG CB C 30.802 0.02 . 35 647 3 ARG CD C 43.196 0.00 . 36 647 3 ARG N N 122.012 0.02 . 37 648 4 ALA H H 8.224 0.00 . 38 648 4 ALA HA H 4.354 0.00 . 39 648 4 ALA HB H 1.401 0.02 . 40 648 4 ALA C C 177.596 0.01 . 41 648 4 ALA CA C 52.442 0.10 . 42 648 4 ALA CB C 19.407 0.12 . 43 648 4 ALA N N 125.205 0.03 . 44 649 5 THR H H 8.075 0.00 . 45 649 5 THR HA H 4.353 0.02 . 46 649 5 THR HB H 4.203 0.02 . 47 649 5 THR HG2 H 1.205 0.02 . 48 649 5 THR C C 174.344 0.01 . 49 649 5 THR CA C 61.831 0.08 . 50 649 5 THR CB C 69.880 0.09 . 51 649 5 THR CG2 C 21.628 0.11 . 52 649 5 THR N N 113.920 0.01 . 53 650 6 VAL H H 8.045 0.00 . 54 650 6 VAL HA H 4.211 0.02 . 55 650 6 VAL HB H 2.070 0.00 . 56 650 6 VAL HG1 H 0.911 0.00 . 57 650 6 VAL HG2 H 0.914 0.00 . 58 650 6 VAL C C 175.768 0.00 . 59 650 6 VAL CA C 62.072 0.07 . 60 650 6 VAL CB C 32.861 0.10 . 61 650 6 VAL CG1 C 21.014 0.18 . 62 650 6 VAL CG2 C 20.327 0.10 . 63 650 6 VAL N N 122.064 0.02 . 64 651 7 SER H H 8.301 0.00 . 65 651 7 SER HA H 4.470 0.02 . 66 651 7 SER HB2 H 4.492 0.00 . 67 651 7 SER HB3 H 4.492 0.00 . 68 651 7 SER CA C 58.135 0.08 . 69 651 7 SER CB C 63.881 0.04 . 70 651 7 SER N N 119.848 0.00 . 71 652 8 ARG H H 8.211 0.00 . 72 652 8 ARG HA H 4.670 0.00 . 73 652 8 ARG C C 173.860 0.00 . 74 652 8 ARG CA C 53.941 0.02 . 75 652 8 ARG CB C 30.483 0.00 . 76 652 8 ARG N N 123.940 0.02 . 77 653 9 PRO HA H 4.476 0.02 . 78 653 9 PRO HB2 H 2.272 0.00 . 79 653 9 PRO HB3 H 1.878 0.00 . 80 653 9 PRO HG2 H 1.976 0.00 . 81 653 9 PRO HG3 H 1.976 0.00 . 82 653 9 PRO HD2 H 3.766 0.00 . 83 653 9 PRO HD3 H 3.583 0.00 . 84 653 9 PRO C C 176.777 0.00 . 85 653 9 PRO CA C 63.085 0.09 . 86 653 9 PRO CB C 31.897 0.12 . 87 653 9 PRO CG C 27.286 0.12 . 88 653 9 PRO CD C 50.449 0.00 . 89 654 10 VAL H H 8.174 0.00 . 90 654 10 VAL HA H 4.116 0.02 . 91 654 10 VAL HB H 2.032 0.00 . 92 654 10 VAL HG1 H 0.912 0.00 . 93 654 10 VAL HG2 H 0.914 0.00 . 94 654 10 VAL C C 176.109 0.02 . 95 654 10 VAL CA C 62.355 0.07 . 96 654 10 VAL CB C 32.762 0.08 . 97 654 10 VAL CG1 C 21.097 0.12 . 98 654 10 VAL CG2 C 20.389 0.16 . 99 654 10 VAL N N 120.195 0.01 . 100 655 11 SER H H 8.230 0.00 . 101 655 11 SER HA H 4.431 0.00 . 102 655 11 SER HB2 H 4.462 0.00 . 103 655 11 SER HB3 H 4.462 0.00 . 104 655 11 SER C C 173.801 0.00 . 105 655 11 SER CA C 58.085 0.09 . 106 655 11 SER CB C 63.883 0.00 . 107 655 11 SER N N 118.665 0.02 . 108 657 13 GLN HA H 4.291 0.00 . 109 657 13 GLN HB2 H 2.051 0.00 . 110 657 13 GLN HB3 H 1.934 0.00 . 111 657 13 GLN HG2 H 2.288 0.00 . 112 657 13 GLN HG3 H 2.288 0.00 . 113 657 13 GLN C C 175.647 0.00 . 114 657 13 GLN CA C 55.883 0.00 . 115 657 13 GLN CB C 29.273 0.01 . 116 657 13 GLN CG C 33.572 0.00 . 117 658 14 ARG H H 8.383 0.00 . 118 658 14 ARG HA H 4.313 0.00 . 119 658 14 ARG HB2 H 1.853 0.02 . 120 658 14 ARG HB3 H 1.772 0.02 . 121 658 14 ARG HG2 H 1.619 0.02 . 122 658 14 ARG HG3 H 1.619 0.02 . 123 658 14 ARG HD2 H 3.181 0.00 . 124 658 14 ARG HD3 H 3.181 0.00 . 125 658 14 ARG C C 176.146 0.05 . 126 658 14 ARG CA C 56.155 0.10 . 127 658 14 ARG CB C 30.673 0.12 . 128 658 14 ARG CG C 27.042 0.14 . 129 658 14 ARG CD C 43.237 0.00 . 130 658 14 ARG N N 122.367 0.01 . 131 659 15 MET H H 8.351 0.00 . 132 659 15 MET HA H 4.485 0.00 . 133 659 15 MET HB2 H 2.070 0.00 . 134 659 15 MET HB3 H 2.070 0.00 . 135 659 15 MET HG2 H 2.599 0.00 . 136 659 15 MET HG3 H 2.599 0.00 . 137 659 15 MET C C 176.452 0.02 . 138 659 15 MET CA C 55.440 0.00 . 139 659 15 MET CB C 32.761 0.00 . 140 659 15 MET CG C 31.869 0.00 . 141 659 15 MET N N 121.712 0.01 . 142 660 16 GLY H H 8.372 0.00 . 143 660 16 GLY HA2 H 3.995 0.02 . 144 660 16 GLY HA3 H 3.995 0.02 . 145 660 16 GLY C C 173.711 0.00 . 146 660 16 GLY CA C 45.226 0.12 . 147 660 16 GLY N N 110.062 0.04 . 148 661 17 THR H H 7.963 0.00 . 149 661 17 THR HA H 4.540 0.18 . 150 661 17 THR HB H 4.172 0.02 . 151 661 17 THR HG2 H 1.252 0.02 . 152 661 17 THR C C 172.710 0.00 . 153 661 17 THR CA C 59.776 0.07 . 154 661 17 THR CB C 69.846 0.08 . 155 661 17 THR CG2 C 21.428 0.13 . 156 661 17 THR N N 116.091 0.00 . 157 662 18 PRO HA H 4.449 0.02 . 158 662 18 PRO HB2 H 2.267 0.00 . 159 662 18 PRO HB3 H 1.872 0.00 . 160 662 18 PRO HG2 H 2.008 0.02 . 161 662 18 PRO HG3 H 2.008 0.02 . 162 662 18 PRO HD2 H 3.834 0.00 . 163 662 18 PRO HD3 H 3.697 0.00 . 164 662 18 PRO C C 176.541 0.00 . 165 662 18 PRO CA C 63.280 0.08 . 166 662 18 PRO CB C 32.000 0.13 . 167 662 18 PRO CG C 27.378 0.09 . 168 662 18 PRO CD C 50.920 0.15 . 169 663 19 MET H H 8.350 0.00 . 170 663 19 MET HA H 4.453 0.00 . 171 663 19 MET HB2 H 2.026 0.00 . 172 663 19 MET HB3 H 2.026 0.00 . 173 663 19 MET HG2 H 2.531 0.00 . 174 663 19 MET HG3 H 2.531 0.00 . 175 663 19 MET C C 175.864 0.01 . 176 663 19 MET CA C 55.463 0.00 . 177 663 19 MET CB C 32.924 0.00 . 178 663 19 MET CG C 31.872 0.00 . 179 663 19 MET N N 121.036 0.01 . 180 664 20 VAL H H 8.045 0.00 . 181 664 20 VAL HA H 4.172 0.02 . 182 664 20 VAL HB H 2.070 0.00 . 183 664 20 VAL HG1 H 0.915 0.02 . 184 664 20 VAL HG2 H 0.943 0.02 . 185 664 20 VAL C C 175.681 0.00 . 186 664 20 VAL CA C 62.198 0.11 . 187 664 20 VAL CB C 32.865 0.09 . 188 664 20 VAL CG1 C 21.155 0.10 . 189 664 20 VAL CG2 C 20.529 0.18 . 190 664 20 VAL N N 121.087 0.00 . 191 665 21 GLU H H 8.399 0.00 . 192 665 21 GLU HA H 4.328 0.00 . 193 665 21 GLU HB2 H 2.020 0.00 . 194 665 21 GLU HB3 H 1.905 0.00 . 195 665 21 GLU HG2 H 2.226 0.00 . 196 665 21 GLU HG3 H 2.226 0.00 . 197 665 21 GLU C C 175.891 0.00 . 198 665 21 GLU CA C 56.295 0.00 . 199 665 21 GLU CB C 30.387 0.01 . 200 665 21 GLU CG C 36.068 0.00 . 201 665 21 GLU N N 124.253 0.00 . 202 666 22 ASN H H 8.392 0.00 . 203 666 22 ASN HA H 4.719 0.00 . 204 666 22 ASN HB2 H 2.821 0.00 . 205 666 22 ASN HB3 H 2.821 0.00 . 206 666 22 ASN C C 174.851 0.00 . 207 666 22 ASN CA C 53.104 0.00 . 208 666 22 ASN CB C 39.170 0.00 . 209 666 22 ASN N N 119.853 0.01 . 210 667 23 ASP H H 8.355 0.00 . 211 667 23 ASP HA H 4.593 0.00 . 212 667 23 ASP HB2 H 2.678 0.00 . 213 667 23 ASP HB3 H 2.678 0.00 . 214 667 23 ASP C C 176.300 0.04 . 215 667 23 ASP CA C 54.343 0.00 . 216 667 23 ASP CB C 41.049 0.00 . 217 667 23 ASP N N 121.187 0.13 . 218 668 24 SER H H 8.201 0.00 . 219 668 24 SER HA H 4.334 0.00 . 220 668 24 SER HB2 H 3.857 0.00 . 221 668 24 SER HB3 H 3.857 0.00 . 222 668 24 SER C C 174.735 0.00 . 223 668 24 SER CA C 58.745 0.00 . 224 668 24 SER CB C 63.945 0.00 . 225 668 24 SER N N 115.903 0.02 . 226 669 25 GLY H H 8.130 0.00 . 227 669 25 GLY HA2 H 3.862 0.00 . 228 669 25 GLY HA3 H 3.694 0.03 . 229 669 25 GLY C C 173.369 0.00 . 230 669 25 GLY CA C 44.967 0.10 . 231 669 25 GLY N N 109.949 0.01 . 232 670 26 TYR H H 7.735 0.02 . 233 670 26 TYR HA H 4.947 0.00 . 234 670 26 TYR HB2 H 2.849 0.00 . 235 670 26 TYR HB3 H 2.528 0.00 . 236 670 26 TYR HD1 H 6.999 0.00 . 237 670 26 TYR HD2 H 6.999 0.00 . 238 670 26 TYR HE1 H 6.664 0.00 . 239 670 26 TYR HE2 H 6.664 0.00 . 240 670 26 TYR C C 175.006 0.00 . 241 670 26 TYR CA C 57.568 0.00 . 242 670 26 TYR CB C 40.280 0.01 . 243 670 26 TYR CD1 C 133.184 0.00 . 244 670 26 TYR CD2 C 133.184 0.00 . 245 670 26 TYR CE1 C 117.869 0.00 . 246 670 26 TYR CE2 C 117.869 0.00 . 247 670 26 TYR N N 119.199 0.05 . 248 671 27 LYS H H 8.065 0.01 . 249 671 27 LYS HA H 4.644 0.01 . 250 671 27 LYS HB2 H 1.804 0.00 . 251 671 27 LYS HB3 H 1.575 0.00 . 252 671 27 LYS HG2 H 1.396 0.01 . 253 671 27 LYS HG3 H 1.396 0.01 . 254 671 27 LYS HD2 H 1.646 0.00 . 255 671 27 LYS HD3 H 1.604 0.00 . 256 671 27 LYS HE2 H 2.935 0.00 . 257 671 27 LYS HE3 H 2.935 0.00 . 258 671 27 LYS C C 175.504 0.00 . 259 671 27 LYS CA C 53.974 0.21 . 260 671 27 LYS CB C 35.977 0.12 . 261 671 27 LYS CG C 24.432 0.09 . 262 671 27 LYS CD C 28.986 0.12 . 263 671 27 LYS CE C 42.155 0.13 . 264 671 27 LYS N N 118.292 0.08 . 265 672 28 LEU H H 8.349 0.00 . 266 672 28 LEU HA H 3.691 0.00 . 267 672 28 LEU HB2 H 1.625 0.00 . 268 672 28 LEU HB3 H 1.453 0.00 . 269 672 28 LEU HG H 1.457 0.00 . 270 672 28 LEU HD1 H 0.940 0.01 . 271 672 28 LEU HD2 H 0.806 0.02 . 272 672 28 LEU C C 178.461 0.00 . 273 672 28 LEU CA C 56.722 0.10 . 274 672 28 LEU CB C 41.237 0.14 . 275 672 28 LEU CG C 27.058 0.16 . 276 672 28 LEU CD1 C 24.815 0.08 . 277 672 28 LEU CD2 C 23.707 0.11 . 278 672 28 LEU N N 120.573 0.03 . 279 673 29 GLY H H 8.858 0.01 . 280 673 29 GLY HA2 H 4.225 0.00 . 281 673 29 GLY HA3 H 3.483 0.02 . 282 673 29 GLY C C 173.571 0.00 . 283 673 29 GLY CA C 44.966 0.12 . 284 673 29 GLY N N 112.160 0.02 . 285 674 30 GLN H H 7.660 0.01 . 286 674 30 GLN HA H 4.182 0.00 . 287 674 30 GLN HB2 H 2.285 0.00 . 288 674 30 GLN HB3 H 2.167 0.00 . 289 674 30 GLN HG2 H 2.478 0.00 . 290 674 30 GLN HG3 H 2.478 0.00 . 291 674 30 GLN C C 175.056 0.00 . 292 674 30 GLN CA C 56.342 0.00 . 293 674 30 GLN CB C 30.414 0.01 . 294 674 30 GLN CG C 33.427 0.00 . 295 674 30 GLN N N 121.459 0.01 . 296 675 31 ARG H H 8.614 0.00 . 297 675 31 ARG HA H 5.126 0.03 . 298 675 31 ARG HB2 H 1.850 0.02 . 299 675 31 ARG HB3 H 1.771 0.02 . 300 675 31 ARG HD2 H 3.228 0.00 . 301 675 31 ARG HD3 H 3.228 0.00 . 302 675 31 ARG C C 176.313 0.00 . 303 675 31 ARG CA C 55.200 0.02 . 304 675 31 ARG CB C 30.672 0.12 . 305 675 31 ARG CD C 43.369 0.12 . 306 675 31 ARG N N 125.575 0.01 . 307 676 32 VAL H H 8.855 0.00 . 308 676 32 VAL HA H 5.361 0.02 . 309 676 32 VAL HB H 2.080 0.00 . 310 676 32 VAL HG1 H 0.840 0.01 . 311 676 32 VAL HG2 H 0.510 0.02 . 312 676 32 VAL C C 173.909 0.00 . 313 676 32 VAL CA C 58.606 0.11 . 314 676 32 VAL CB C 36.961 0.09 . 315 676 32 VAL CG1 C 22.208 0.09 . 316 676 32 VAL CG2 C 18.203 0.07 . 317 676 32 VAL N N 116.684 0.01 . 318 677 33 ARG H H 9.103 0.01 . 319 677 33 ARG HA H 5.158 0.02 . 320 677 33 ARG HB2 H 1.693 0.00 . 321 677 33 ARG HB3 H 1.588 0.00 . 322 677 33 ARG HG2 H 1.398 0.00 . 323 677 33 ARG HG3 H 1.398 0.00 . 324 677 33 ARG HD2 H 3.181 0.00 . 325 677 33 ARG HD3 H 3.181 0.00 . 326 677 33 ARG C C 173.981 0.01 . 327 677 33 ARG CA C 55.068 0.08 . 328 677 33 ARG CB C 33.673 0.00 . 329 677 33 ARG CG C 27.911 0.00 . 330 677 33 ARG CD C 43.237 0.00 . 331 677 33 ARG N N 119.314 0.02 . 332 678 34 HIS H H 9.247 0.01 . 333 678 34 HIS HA H 4.876 0.01 . 334 678 34 HIS HB2 H 3.008 0.00 . 335 678 34 HIS HB3 H 3.008 0.00 . 336 678 34 HIS C C 176.042 0.01 . 337 678 34 HIS CA C 55.614 0.00 . 338 678 34 HIS CB C 36.521 0.00 . 339 678 34 HIS N N 127.618 0.01 . 340 679 35 ALA H H 8.601 0.00 . 341 679 35 ALA HA H 3.918 0.01 . 342 679 35 ALA HB H 1.255 0.02 . 343 679 35 ALA C C 177.619 0.00 . 344 679 35 ALA CA C 55.378 0.09 . 345 679 35 ALA CB C 18.978 0.11 . 346 679 35 ALA N N 130.564 0.02 . 347 680 36 LYS H H 9.202 0.01 . 348 680 36 LYS HA H 4.378 0.00 . 349 680 36 LYS HB2 H 1.257 0.02 . 350 680 36 LYS HB3 H 1.216 0.02 . 351 680 36 LYS HG2 H 1.228 0.01 . 352 680 36 LYS HG3 H 0.989 0.02 . 353 680 36 LYS HD2 H 1.479 0.02 . 354 680 36 LYS HD3 H 1.429 0.02 . 355 680 36 LYS HE2 H 2.883 0.02 . 356 680 36 LYS HE3 H 2.883 0.02 . 357 680 36 LYS C C 178.364 0.00 . 358 680 36 LYS CA C 56.630 0.07 . 359 680 36 LYS CB C 34.225 0.12 . 360 680 36 LYS CG C 24.672 0.09 . 361 680 36 LYS CD C 28.668 0.11 . 362 680 36 LYS CE C 41.990 0.09 . 363 680 36 LYS N N 116.945 0.00 . 364 681 37 PHE H H 8.349 0.00 . 365 681 37 PHE HA H 4.384 0.01 . 366 681 37 PHE HB2 H 1.801 0.00 . 367 681 37 PHE HB3 H 0.970 0.00 . 368 681 37 PHE HD1 H 7.167 0.00 . 369 681 37 PHE HD2 H 7.167 0.00 . 370 681 37 PHE HE1 H 7.021 0.00 . 371 681 37 PHE HE2 H 7.021 0.00 . 372 681 37 PHE HZ H 6.993 0.00 . 373 681 37 PHE C C 174.939 0.00 . 374 681 37 PHE CA C 56.456 0.01 . 375 681 37 PHE CB C 36.629 0.01 . 376 681 37 PHE CD1 C 132.548 0.00 . 377 681 37 PHE CD2 C 132.548 0.00 . 378 681 37 PHE CE1 C 130.812 0.00 . 379 681 37 PHE CE2 C 130.812 0.00 . 380 681 37 PHE CZ C 125.020 0.00 . 381 681 37 PHE N N 118.018 0.03 . 382 682 38 GLY H H 7.990 0.00 . 383 682 38 GLY HA2 H 4.366 0.02 . 384 682 38 GLY HA3 H 3.869 0.00 . 385 682 38 GLY C C 173.882 0.00 . 386 682 38 GLY CA C 44.937 0.11 . 387 682 38 GLY N N 106.926 0.04 . 388 683 39 GLU H H 8.769 0.00 . 389 683 39 GLU HA H 5.209 0.02 . 390 683 39 GLU HB2 H 2.086 0.00 . 391 683 39 GLU HB3 H 2.086 0.00 . 392 683 39 GLU HG2 H 2.402 0.00 . 393 683 39 GLU HG3 H 2.218 0.00 . 394 683 39 GLU C C 176.946 0.00 . 395 683 39 GLU CA C 56.201 0.01 . 396 683 39 GLU CB C 31.155 0.00 . 397 683 39 GLU CG C 37.256 0.03 . 398 683 39 GLU N N 123.019 0.01 . 399 684 40 GLY H H 9.210 0.01 . 400 684 40 GLY HA2 H 4.816 0.02 . 401 684 40 GLY HA3 H 3.103 0.02 . 402 684 40 GLY C C 171.529 0.00 . 403 684 40 GLY CA C 46.022 0.11 . 404 684 40 GLY N N 111.189 0.01 . 405 685 41 THR H H 7.510 0.00 . 406 685 41 THR HA H 5.049 0.02 . 407 685 41 THR HB H 3.671 0.02 . 408 685 41 THR HG2 H 0.977 0.02 . 409 685 41 THR C C 173.750 0.00 . 410 685 41 THR CA C 60.545 0.19 . 411 685 41 THR CB C 71.811 0.08 . 412 685 41 THR CG2 C 21.332 0.10 . 413 685 41 THR N N 113.981 0.01 . 414 686 42 ILE H H 8.548 0.02 . 415 686 42 ILE HA H 3.959 0.02 . 416 686 42 ILE HB H 2.133 0.00 . 417 686 42 ILE HG12 H 1.723 0.00 . 418 686 42 ILE HG13 H 1.723 0.00 . 419 686 42 ILE HG2 H 0.802 0.01 . 420 686 42 ILE HD1 H 0.810 0.01 . 421 686 42 ILE C C 176.029 0.01 . 422 686 42 ILE CA C 63.357 0.11 . 423 686 42 ILE CB C 37.268 0.11 . 424 686 42 ILE CG1 C 28.176 0.11 . 425 686 42 ILE CG2 C 17.993 0.08 . 426 686 42 ILE CD1 C 14.663 1.12 . 427 686 42 ILE N N 125.959 0.02 . 428 687 43 VAL H H 8.883 0.01 . 429 687 43 VAL HA H 4.480 0.02 . 430 687 43 VAL HB H 2.116 0.01 . 431 687 43 VAL HG1 H 0.780 0.02 . 432 687 43 VAL HG2 H 0.503 0.02 . 433 687 43 VAL C C 175.206 0.00 . 434 687 43 VAL CA C 61.390 0.14 . 435 687 43 VAL CB C 32.995 0.15 . 436 687 43 VAL CG1 C 21.622 0.12 . 437 687 43 VAL CG2 C 18.241 0.11 . 438 687 43 VAL N N 123.626 0.01 . 439 688 44 ASN H H 7.792 0.00 . 440 688 44 ASN HA H 4.727 0.01 . 441 688 44 ASN HB2 H 2.881 0.01 . 442 688 44 ASN HB3 H 2.520 0.02 . 443 688 44 ASN C C 173.011 0.01 . 444 688 44 ASN CA C 52.744 0.07 . 445 688 44 ASN CB C 41.363 0.11 . 446 688 44 ASN N N 117.199 0.02 . 447 689 45 MET H H 8.704 0.01 . 448 689 45 MET HA H 5.257 0.00 . 449 689 45 MET HB2 H 2.207 0.00 . 450 689 45 MET HB3 H 2.006 0.00 . 451 689 45 MET HG2 H 2.427 0.00 . 452 689 45 MET HG3 H 2.278 0.00 . 453 689 45 MET C C 173.488 0.00 . 454 689 45 MET CA C 55.765 0.02 . 455 689 45 MET CB C 36.976 0.02 . 456 689 45 MET CG C 31.360 0.00 . 457 689 45 MET N N 119.378 0.03 . 458 690 46 GLU H H 8.952 0.00 . 459 690 46 GLU HA H 4.777 0.00 . 460 690 46 GLU HB2 H 2.046 0.00 . 461 690 46 GLU HB3 H 1.931 0.00 . 462 690 46 GLU HG2 H 2.191 0.00 . 463 690 46 GLU HG3 H 2.191 0.00 . 464 690 46 GLU C C 175.338 0.01 . 465 690 46 GLU CA C 55.401 0.08 . 466 690 46 GLU CB C 33.747 0.00 . 467 690 46 GLU CG C 35.964 0.00 . 468 690 46 GLU N N 120.911 0.02 . 469 691 47 GLY H H 8.588 0.00 . 470 691 47 GLY HA2 H 4.347 0.01 . 471 691 47 GLY HA3 H 3.852 0.01 . 472 691 47 GLY C C 172.662 0.01 . 473 691 47 GLY CA C 44.443 0.07 . 474 691 47 GLY N N 110.354 0.02 . 475 692 48 SER H H 7.872 0.01 . 476 692 48 SER HA H 4.790 0.01 . 477 692 48 SER HB2 H 3.811 0.02 . 478 692 48 SER HB3 H 3.811 0.02 . 479 692 48 SER C C 174.502 0.01 . 480 692 48 SER CA C 57.178 0.09 . 481 692 48 SER CB C 65.428 0.17 . 482 692 48 SER N N 111.606 0.02 . 483 693 49 GLY H H 8.918 0.00 . 484 693 49 GLY HA2 H 4.047 0.03 . 485 693 49 GLY HA3 H 3.872 0.02 . 486 693 49 GLY C C 176.524 0.00 . 487 693 49 GLY CA C 46.173 0.10 . 488 693 49 GLY N N 111.118 0.02 . 489 694 50 GLU HA H 4.116 0.02 . 490 694 50 GLU HB2 H 1.867 0.00 . 491 694 50 GLU HB3 H 1.867 0.00 . 492 694 50 GLU HG2 H 1.963 0.00 . 493 694 50 GLU HG3 H 1.963 0.00 . 494 694 50 GLU C C 176.720 0.00 . 495 694 50 GLU CA C 58.518 0.08 . 496 694 50 GLU CB C 29.021 0.08 . 497 694 50 GLU CG C 35.625 0.14 . 498 695 51 HIS H H 8.004 0.01 . 499 695 51 HIS HA H 4.771 0.00 . 500 695 51 HIS HB2 H 3.420 0.00 . 501 695 51 HIS HB3 H 3.168 0.00 . 502 695 51 HIS HD2 H 7.082 0.00 . 503 695 51 HIS C C 174.903 0.00 . 504 695 51 HIS CA C 55.190 0.00 . 505 695 51 HIS CB C 29.664 0.00 . 506 695 51 HIS CD2 C 119.302 0.00 . 507 695 51 HIS N N 117.491 0.03 . 508 696 52 SER H H 7.364 0.00 . 509 696 52 SER HA H 4.475 0.02 . 510 696 52 SER HB2 H 3.853 0.00 . 511 696 52 SER HB3 H 3.739 0.02 . 512 696 52 SER C C 174.159 0.00 . 513 696 52 SER CA C 59.794 0.23 . 514 696 52 SER CB C 63.915 0.11 . 515 696 52 SER N N 115.824 0.02 . 516 697 53 ARG H H 9.295 0.01 . 517 697 53 ARG HA H 5.275 0.00 . 518 697 53 ARG HB2 H 1.963 0.00 . 519 697 53 ARG HB3 H 1.839 0.00 . 520 697 53 ARG HG2 H 1.824 0.02 . 521 697 53 ARG HG3 H 1.624 0.02 . 522 697 53 ARG HD2 H 3.063 0.00 . 523 697 53 ARG HD3 H 2.926 0.00 . 524 697 53 ARG C C 174.674 0.00 . 525 697 53 ARG CA C 55.060 0.05 . 526 697 53 ARG CB C 34.575 0.12 . 527 697 53 ARG CG C 27.396 0.12 . 528 697 53 ARG CD C 43.557 0.03 . 529 697 53 ARG N N 124.461 0.02 . 530 698 54 LEU H H 9.362 0.00 . 531 698 54 LEU HA H 4.847 0.02 . 532 698 54 LEU HB2 H 1.552 0.02 . 533 698 54 LEU HB3 H 1.080 0.02 . 534 698 54 LEU HG H 1.458 0.01 . 535 698 54 LEU HD1 H 0.277 0.02 . 536 698 54 LEU HD2 H 0.682 0.02 . 537 698 54 LEU C C 173.719 0.00 . 538 698 54 LEU CA C 53.112 0.12 . 539 698 54 LEU CB C 45.540 0.08 . 540 698 54 LEU CG C 26.947 0.08 . 541 698 54 LEU CD1 C 25.315 0.08 . 542 698 54 LEU CD2 C 23.828 0.08 . 543 698 54 LEU N N 121.420 0.01 . 544 699 55 GLN H H 8.456 0.01 . 545 699 55 GLN HA H 4.208 0.00 . 546 699 55 GLN HB2 H 1.220 0.00 . 547 699 55 GLN HB3 H -0.899 0.02 . 548 699 55 GLN HG2 H 1.151 0.15 . 549 699 55 GLN HG3 H 0.224 0.00 . 550 699 55 GLN C C 174.427 0.00 . 551 699 55 GLN CA C 53.833 0.12 . 552 699 55 GLN CB C 28.118 0.11 . 553 699 55 GLN CG C 33.988 0.13 . 554 699 55 GLN N N 126.498 0.01 . 555 700 56 VAL H H 8.798 0.01 . 556 700 56 VAL HA H 4.259 0.02 . 557 700 56 VAL HB H 1.309 0.00 . 558 700 56 VAL HG1 H 0.478 0.02 . 559 700 56 VAL HG2 H -0.532 0.02 . 560 700 56 VAL C C 173.026 0.00 . 561 700 56 VAL CA C 60.020 0.12 . 562 700 56 VAL CB C 34.117 0.10 . 563 700 56 VAL CG1 C 21.476 0.09 . 564 700 56 VAL CG2 C 20.676 0.10 . 565 700 56 VAL N N 128.069 0.03 . 566 701 57 ALA H H 8.430 0.00 . 567 701 57 ALA HA H 4.389 0.01 . 568 701 57 ALA HB H 1.157 0.02 . 569 701 57 ALA C C 176.274 0.00 . 570 701 57 ALA CA C 50.372 0.09 . 571 701 57 ALA CB C 18.813 0.10 . 572 701 57 ALA N N 128.828 0.01 . 573 702 58 PHE H H 8.439 0.00 . 574 702 58 PHE HA H 4.924 0.03 . 575 702 58 PHE HB2 H 3.127 0.00 . 576 702 58 PHE HB3 H 2.843 0.00 . 577 702 58 PHE HD1 H 6.837 0.00 . 578 702 58 PHE HD2 H 6.837 0.00 . 579 702 58 PHE HE1 H 6.971 0.00 . 580 702 58 PHE HE2 H 6.971 0.00 . 581 702 58 PHE HZ H 6.759 0.00 . 582 702 58 PHE C C 176.704 0.01 . 583 702 58 PHE CA C 58.417 0.10 . 584 702 58 PHE CB C 40.037 0.10 . 585 702 58 PHE CD1 C 132.799 0.00 . 586 702 58 PHE CD2 C 132.799 0.00 . 587 702 58 PHE CE1 C 130.913 0.00 . 588 702 58 PHE CE2 C 130.913 0.00 . 589 702 58 PHE CZ C 128.262 0.00 . 590 702 58 PHE N N 125.208 0.02 . 591 703 59 GLN H H 8.991 0.00 . 592 703 59 GLN HA H 4.153 0.00 . 593 703 59 GLN HB2 H 2.211 0.00 . 594 703 59 GLN HB3 H 2.211 0.00 . 595 703 59 GLN HG2 H 2.505 0.02 . 596 703 59 GLN HG3 H 2.505 0.02 . 597 703 59 GLN C C 177.380 0.00 . 598 703 59 GLN CA C 57.968 0.00 . 599 703 59 GLN CB C 28.170 0.13 . 600 703 59 GLN CG C 33.631 0.13 . 601 703 59 GLN N N 124.967 0.01 . 602 704 60 GLY HA2 H 4.193 0.00 . 603 704 60 GLY HA3 H 3.970 0.00 . 604 704 60 GLY C C 174.812 0.00 . 605 704 60 GLY CA C 45.810 0.00 . 606 705 61 GLN H H 7.486 0.00 . 607 705 61 GLN HA H 4.521 0.00 . 608 705 61 GLN HB2 H 2.257 0.00 . 609 705 61 GLN HB3 H 1.561 0.00 . 610 705 61 GLN HG2 H 2.377 0.00 . 611 705 61 GLN HG3 H 2.260 0.00 . 612 705 61 GLN C C 175.143 0.00 . 613 705 61 GLN CA C 55.291 0.00 . 614 705 61 GLN CB C 30.341 0.00 . 615 705 61 GLN CG C 33.586 0.05 . 616 705 61 GLN N N 117.189 0.02 . 617 706 62 GLY H H 7.925 0.00 . 618 706 62 GLY HA2 H 4.168 0.00 . 619 706 62 GLY HA3 H 3.820 0.00 . 620 706 62 GLY C C 172.401 0.00 . 621 706 62 GLY CA C 44.583 0.00 . 622 706 62 GLY N N 107.904 0.04 . 623 707 63 ILE H H 8.149 0.00 . 624 707 63 ILE HA H 4.787 0.02 . 625 707 63 ILE HB H 1.570 0.00 . 626 707 63 ILE HG12 H 1.522 0.01 . 627 707 63 ILE HG13 H 0.814 0.01 . 628 707 63 ILE HG2 H 0.494 0.01 . 629 707 63 ILE HD1 H 0.728 0.01 . 630 707 63 ILE C C 176.723 0.00 . 631 707 63 ILE CA C 60.460 0.12 . 632 707 63 ILE CB C 38.432 0.08 . 633 707 63 ILE CG1 C 27.912 0.08 . 634 707 63 ILE CG2 C 18.177 0.08 . 635 707 63 ILE CD1 C 12.982 0.06 . 636 707 63 ILE N N 119.938 0.01 . 637 708 64 LYS H H 8.692 0.01 . 638 708 64 LYS HA H 4.739 0.00 . 639 708 64 LYS HB2 H 1.719 0.02 . 640 708 64 LYS HB3 H 1.476 0.01 . 641 708 64 LYS HG2 H 1.204 0.00 . 642 708 64 LYS HG3 H 0.818 0.02 . 643 708 64 LYS HD2 H 1.215 0.02 . 644 708 64 LYS HD3 H 0.937 0.02 . 645 708 64 LYS HE2 H 2.271 0.02 . 646 708 64 LYS HE3 H 1.955 0.02 . 647 708 64 LYS C C 175.239 0.00 . 648 708 64 LYS CA C 54.167 0.12 . 649 708 64 LYS CB C 37.005 0.08 . 650 708 64 LYS CG C 24.539 0.08 . 651 708 64 LYS CD C 28.506 0.11 . 652 708 64 LYS CE C 41.791 0.09 . 653 708 64 LYS N N 126.674 0.00 . 654 709 65 TRP H H 8.643 0.00 . 655 709 65 TRP HA H 5.347 0.00 . 656 709 65 TRP HB2 H 3.062 0.00 . 657 709 65 TRP HB3 H 2.885 0.00 . 658 709 65 TRP HD1 H 7.248 0.00 . 659 709 65 TRP HE1 H 10.006 0.00 . 660 709 65 TRP HE3 H 7.157 0.00 . 661 709 65 TRP HZ2 H 7.283 0.00 . 662 709 65 TRP HZ3 H 6.610 0.00 . 663 709 65 TRP HH2 H 6.784 0.00 . 664 709 65 TRP C C 176.641 0.00 . 665 709 65 TRP CA C 56.704 0.04 . 666 709 65 TRP CB C 30.645 0.03 . 667 709 65 TRP CD1 C 127.398 0.00 . 668 709 65 TRP CE3 C 120.157 0.00 . 669 709 65 TRP CZ2 C 115.025 0.00 . 670 709 65 TRP CZ3 C 121.425 0.00 . 671 709 65 TRP CH2 C 123.675 0.00 . 672 709 65 TRP N N 121.472 0.01 . 673 709 65 TRP NE1 N 129.490 0.00 . 674 710 66 LEU H H 9.685 0.00 . 675 710 66 LEU HA H 4.955 0.00 . 676 710 66 LEU HB2 H 1.572 0.01 . 677 710 66 LEU HB3 H 1.572 0.01 . 678 710 66 LEU HG H 1.030 0.02 . 679 710 66 LEU HD1 H 1.054 0.00 . 680 710 66 LEU HD2 H 1.054 0.00 . 681 710 66 LEU C C 176.014 0.01 . 682 710 66 LEU CA C 53.227 0.09 . 683 710 66 LEU CB C 45.658 0.12 . 684 710 66 LEU CG C 27.108 0.09 . 685 710 66 LEU CD1 C 24.191 0.11 . 686 710 66 LEU CD2 C 24.191 0.11 . 687 710 66 LEU N N 122.973 0.02 . 688 711 67 VAL H H 8.845 0.00 . 689 711 67 VAL HA H 4.225 0.02 . 690 711 67 VAL HB H 2.159 0.00 . 691 711 67 VAL HG1 H 1.094 0.00 . 692 711 67 VAL HG2 H 1.058 0.00 . 693 711 67 VAL C C 177.516 0.00 . 694 711 67 VAL CA C 63.235 0.08 . 695 711 67 VAL CB C 31.896 0.10 . 696 711 67 VAL CG1 C 21.420 0.00 . 697 711 67 VAL CG2 C 21.964 0.00 . 698 711 67 VAL N N 124.141 0.02 . 699 712 68 ALA H H 8.429 0.01 . 700 712 68 ALA HA H 3.807 0.00 . 701 712 68 ALA HB H 1.429 0.02 . 702 712 68 ALA C C 179.098 0.01 . 703 712 68 ALA CA C 56.367 0.11 . 704 712 68 ALA CB C 18.238 0.11 . 705 712 68 ALA N N 132.151 0.01 . 706 713 69 ALA H H 8.703 0.01 . 707 713 69 ALA HA H 4.071 0.00 . 708 713 69 ALA HB H 1.090 0.02 . 709 713 69 ALA C C 177.826 0.01 . 710 713 69 ALA CA C 54.328 0.11 . 711 713 69 ALA CB C 18.385 0.11 . 712 713 69 ALA N N 117.499 0.02 . 713 714 70 TYR H H 7.134 0.01 . 714 714 70 TYR HA H 4.874 0.00 . 715 714 70 TYR HB2 H 3.445 0.00 . 716 714 70 TYR HB3 H 2.821 0.00 . 717 714 70 TYR HD1 H 7.085 0.00 . 718 714 70 TYR HD2 H 7.085 0.00 . 719 714 70 TYR HE1 H 6.879 0.00 . 720 714 70 TYR HE2 H 6.879 0.00 . 721 714 70 TYR C C 176.073 0.01 . 722 714 70 TYR CA C 55.971 0.00 . 723 714 70 TYR CB C 39.022 0.01 . 724 714 70 TYR CD1 C 132.770 0.00 . 725 714 70 TYR CD2 C 132.770 0.00 . 726 714 70 TYR CE1 C 118.328 0.00 . 727 714 70 TYR CE2 C 118.328 0.00 . 728 714 70 TYR N N 112.982 0.03 . 729 715 71 ALA H H 7.700 0.00 . 730 715 71 ALA HA H 4.371 0.00 . 731 715 71 ALA HB H 1.492 0.02 . 732 715 71 ALA C C 175.913 0.01 . 733 715 71 ALA CA C 53.665 0.10 . 734 715 71 ALA CB C 20.217 0.11 . 735 715 71 ALA N N 122.948 0.02 . 736 716 72 ARG H H 8.342 0.00 . 737 716 72 ARG HA H 4.082 0.00 . 738 716 72 ARG HB2 H 1.843 0.02 . 739 716 72 ARG HB3 H 1.791 0.02 . 740 716 72 ARG HD2 H 3.181 0.00 . 741 716 72 ARG HD3 H 3.181 0.00 . 742 716 72 ARG C C 175.452 0.00 . 743 716 72 ARG CA C 55.887 0.08 . 744 716 72 ARG CB C 28.052 0.13 . 745 716 72 ARG CD C 43.237 0.00 . 746 716 72 ARG N N 115.825 0.03 . 747 717 73 LEU H H 7.991 0.00 . 748 717 73 LEU HA H 4.734 0.00 . 749 717 73 LEU HB2 H 1.869 0.02 . 750 717 73 LEU HB3 H 1.256 0.02 . 751 717 73 LEU HG H 0.614 0.02 . 752 717 73 LEU HD1 H 0.962 0.00 . 753 717 73 LEU HD2 H 0.962 0.00 . 754 717 73 LEU C C 177.081 0.00 . 755 717 73 LEU CA C 54.127 0.08 . 756 717 73 LEU CB C 43.523 0.10 . 757 717 73 LEU CG C 25.617 0.09 . 758 717 73 LEU CD1 C 23.573 0.11 . 759 717 73 LEU CD2 C 23.573 0.11 . 760 717 73 LEU N N 119.405 0.06 . 761 718 74 GLU H H 8.630 0.01 . 762 718 74 GLU HA H 4.719 0.00 . 763 718 74 GLU HB2 H 2.100 0.00 . 764 718 74 GLU HB3 H 1.884 0.00 . 765 718 74 GLU HG2 H 2.100 0.00 . 766 718 74 GLU HG3 H 2.100 0.00 . 767 718 74 GLU C C 176.199 0.00 . 768 718 74 GLU CA C 54.452 0.00 . 769 718 74 GLU CB C 32.269 0.00 . 770 718 74 GLU CG C 35.938 0.00 . 771 718 74 GLU N N 121.690 0.13 . 772 719 75 SER H H 8.720 0.00 . 773 719 75 SER HA H 4.692 0.01 . 774 719 75 SER HB2 H 3.886 0.00 . 775 719 75 SER HB3 H 3.886 0.00 . 776 719 75 SER C C 173.631 0.01 . 777 719 75 SER CA C 59.137 0.00 . 778 719 75 SER CB C 63.600 0.00 . 779 719 75 SER N N 119.119 0.03 . 780 720 76 VAL H H 7.616 0.01 . 781 720 76 VAL HA H 4.027 0.03 . 782 720 76 VAL HB H 1.956 0.02 . 783 720 76 VAL HG1 H 0.874 0.02 . 784 720 76 VAL HG2 H 0.780 0.01 . 785 720 76 VAL C C 180.695 0.00 . 786 720 76 VAL CA C 64.077 0.08 . 787 720 76 VAL CB C 33.091 0.08 . 788 720 76 VAL CG1 C 21.769 0.08 . 789 720 76 VAL CG2 C 20.915 0.08 . 790 720 76 VAL N N 127.107 0.01 . stop_ save_