data_30296 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the HMG domain of human FACT complex subunit SSRP1 ; _BMRB_accession_number 30296 _BMRB_flat_file_name bmr30296.str _Entry_type original _Submission_date 2017-05-21 _Accession_date 2017-05-21 _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 Hu Q. . . 2 Botuyan M. V. . 3 Mer G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 405 "13C chemical shifts" 269 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-17 original BMRB . stop_ _Original_release_date 2017-05-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the HMG domain of human FACT complex subunit SSRP1 ; _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 Hu Q. . . 2 Botuyan M. V. . 3 Mer G. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FACT complex subunit SSRP1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 8050.128 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GHMSAYMLWLNASREKIKSD HPGISITDLSKKAGEIWKGM SKEKKEEWDRKAEDARRDYE KAMKEYEGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 549 GLY 2 550 HIS 3 551 MET 4 552 SER 5 553 ALA 6 554 TYR 7 555 MET 8 556 LEU 9 557 TRP 10 558 LEU 11 559 ASN 12 560 ALA 13 561 SER 14 562 ARG 15 563 GLU 16 564 LYS 17 565 ILE 18 566 LYS 19 567 SER 20 568 ASP 21 569 HIS 22 570 PRO 23 571 GLY 24 572 ILE 25 573 SER 26 574 ILE 27 575 THR 28 576 ASP 29 577 LEU 30 578 SER 31 579 LYS 32 580 LYS 33 581 ALA 34 582 GLY 35 583 GLU 36 584 ILE 37 585 TRP 38 586 LYS 39 587 GLY 40 588 MET 41 589 SER 42 590 LYS 43 591 GLU 44 592 LYS 45 593 LYS 46 594 GLU 47 595 GLU 48 596 TRP 49 597 ASP 50 598 ARG 51 599 LYS 52 600 ALA 53 601 GLU 54 602 ASP 55 603 ALA 56 604 ARG 57 605 ARG 58 606 ASP 59 607 TYR 60 608 GLU 61 609 LYS 62 610 ALA 63 611 MET 64 612 LYS 65 613 GLU 66 614 TYR 67 615 GLU 68 616 GLY 69 617 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'SSRP1, FACT80' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _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 . Plasmid pTEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.6 mM [U-100% 13C; U-100% 15N] Human SSRP1 HMG Domain, 50 mM Sodium phosphate buffer, 50 mM NaCl, 90% H2O/10% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-100% 13C; U-100% 15N]' NaCl 50 mM 'natural abundance' 'Sodium phosphate buffer' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_6 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_CCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.9 . pH pressure 1 . atm temperature 298 . 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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D CCCH-TOCSY' '3D HNCO' '3D HCACO' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 552 4 SER C C 171.247 0.30 1 2 553 5 ALA H H 8.900 0.03 1 3 553 5 ALA HA H 4.007 0.03 1 4 553 5 ALA HB H 1.713 0.03 1 5 553 5 ALA C C 175.111 0.30 1 6 553 5 ALA CA C 56.301 0.30 1 7 553 5 ALA CB C 19.045 0.30 1 8 553 5 ALA N N 124.126 0.30 1 9 554 6 TYR H H 7.974 0.03 1 10 554 6 TYR HA H 2.420 0.03 1 11 554 6 TYR HB2 H 1.985 0.03 2 12 554 6 TYR HD1 H 5.836 0.03 3 13 554 6 TYR HD2 H 5.836 0.03 3 14 554 6 TYR HE1 H 6.455 0.03 3 15 554 6 TYR HE2 H 6.455 0.03 3 16 554 6 TYR C C 173.397 0.30 1 17 554 6 TYR CA C 60.052 0.30 1 18 554 6 TYR CB C 38.123 0.30 1 19 554 6 TYR N N 115.718 0.30 1 20 555 7 MET H H 7.452 0.03 1 21 555 7 MET HA H 3.643 0.03 1 22 555 7 MET HB2 H 2.387 0.03 2 23 555 7 MET HB3 H 2.565 0.03 2 24 555 7 MET HG2 H 1.960 0.03 2 25 555 7 MET HG3 H 1.960 0.03 2 26 555 7 MET HE H 1.922 0.03 1 27 555 7 MET C C 176.217 0.30 1 28 555 7 MET CA C 57.370 0.30 1 29 555 7 MET CB C 32.711 0.30 1 30 555 7 MET CG C 32.067 0.30 1 31 555 7 MET CE C 16.591 0.30 1 32 555 7 MET N N 116.280 0.30 1 33 556 8 LEU H H 8.157 0.03 1 34 556 8 LEU HA H 3.903 0.03 1 35 556 8 LEU HB2 H 1.769 0.03 2 36 556 8 LEU HB3 H 2.072 0.03 2 37 556 8 LEU HG H 1.792 0.03 1 38 556 8 LEU HD1 H 0.888 0.03 2 39 556 8 LEU HD2 H 0.907 0.03 2 40 556 8 LEU C C 176.458 0.30 1 41 556 8 LEU CA C 58.140 0.30 1 42 556 8 LEU CB C 41.997 0.30 1 43 556 8 LEU CG C 27.050 0.30 1 44 556 8 LEU CD1 C 25.442 0.30 2 45 556 8 LEU CD2 C 23.955 0.30 2 46 556 8 LEU N N 120.825 0.30 1 47 557 9 TRP H H 8.082 0.03 1 48 557 9 TRP HA H 2.043 0.03 1 49 557 9 TRP HB2 H 1.616 0.03 2 50 557 9 TRP HB3 H 2.532 0.03 2 51 557 9 TRP HD1 H 6.233 0.03 1 52 557 9 TRP HE1 H 9.690 0.03 1 53 557 9 TRP HE3 H 6.781 0.03 1 54 557 9 TRP HZ2 H 7.282 0.03 1 55 557 9 TRP HZ3 H 6.814 0.03 1 56 557 9 TRP HH2 H 7.151 0.03 1 57 557 9 TRP C C 175.957 0.30 1 58 557 9 TRP CA C 60.992 0.30 1 59 557 9 TRP CB C 27.289 0.30 1 60 557 9 TRP N N 123.560 0.30 1 61 557 9 TRP NE1 N 129.541 0.30 1 62 558 10 LEU H H 8.788 0.03 1 63 558 10 LEU HA H 2.541 0.03 1 64 558 10 LEU HB2 H 0.598 0.03 2 65 558 10 LEU HB3 H 1.235 0.03 2 66 558 10 LEU HG H 0.991 0.03 1 67 558 10 LEU HD1 H 0.579 0.03 2 68 558 10 LEU HD2 H 0.330 0.03 2 69 558 10 LEU C C 175.995 0.30 1 70 558 10 LEU CA C 57.412 0.30 1 71 558 10 LEU CB C 40.555 0.30 1 72 558 10 LEU CG C 26.645 0.30 1 73 558 10 LEU CD1 C 25.521 0.30 2 74 558 10 LEU CD2 C 22.633 0.30 2 75 558 10 LEU N N 123.901 0.30 1 76 559 11 ASN H H 7.896 0.03 1 77 559 11 ASN HA H 4.095 0.03 1 78 559 11 ASN HB2 H 2.603 0.03 2 79 559 11 ASN HB3 H 2.663 0.03 2 80 559 11 ASN HD21 H 7.521 0.03 2 81 559 11 ASN HD22 H 6.830 0.03 2 82 559 11 ASN C C 175.089 0.30 1 83 559 11 ASN CA C 55.729 0.30 1 84 559 11 ASN CB C 37.750 0.30 1 85 559 11 ASN N N 116.354 0.30 1 86 559 11 ASN ND2 N 111.880 0.30 1 87 560 12 ALA H H 7.228 0.03 1 88 560 12 ALA HA H 4.168 0.03 1 89 560 12 ALA HB H 1.436 0.03 1 90 560 12 ALA C C 176.858 0.30 1 91 560 12 ALA CA C 53.764 0.30 1 92 560 12 ALA CB C 19.680 0.30 1 93 560 12 ALA N N 119.881 0.30 1 94 561 13 SER H H 7.389 0.03 1 95 561 13 SER HA H 4.265 0.03 1 96 561 13 SER HB2 H 2.241 0.03 2 97 561 13 SER HB3 H 3.234 0.03 2 98 561 13 SER C C 171.531 0.30 1 99 561 13 SER CA C 59.251 0.30 1 100 561 13 SER CB C 63.492 0.30 1 101 561 13 SER N N 112.561 0.30 1 102 562 14 ARG H H 7.923 0.03 1 103 562 14 ARG HA H 3.358 0.03 1 104 562 14 ARG HB2 H 1.564 0.03 2 105 562 14 ARG HB3 H 1.782 0.03 2 106 562 14 ARG HG2 H 1.332 0.03 2 107 562 14 ARG HG3 H 1.332 0.03 2 108 562 14 ARG HD2 H 3.034 0.03 2 109 562 14 ARG HD3 H 3.034 0.03 2 110 562 14 ARG C C 174.278 0.30 1 111 562 14 ARG CA C 60.671 0.30 1 112 562 14 ARG CB C 29.969 0.30 1 113 562 14 ARG CG C 27.555 0.30 1 114 562 14 ARG CD C 43.199 0.30 1 115 562 14 ARG N N 122.112 0.30 1 116 563 15 GLU H H 8.305 0.03 1 117 563 15 GLU HA H 3.848 0.03 1 118 563 15 GLU HB2 H 1.808 0.03 2 119 563 15 GLU HB3 H 1.922 0.03 2 120 563 15 GLU HG2 H 2.170 0.03 2 121 563 15 GLU HG3 H 2.237 0.03 2 122 563 15 GLU C C 176.056 0.30 1 123 563 15 GLU CA C 59.130 0.30 1 124 563 15 GLU CB C 28.365 0.30 1 125 563 15 GLU CG C 36.215 0.30 1 126 563 15 GLU N N 116.473 0.30 1 127 564 16 LYS H H 7.734 0.03 1 128 564 16 LYS HA H 4.028 0.03 1 129 564 16 LYS HB2 H 1.785 0.03 2 130 564 16 LYS HB3 H 1.895 0.03 2 131 564 16 LYS HG2 H 1.369 0.03 2 132 564 16 LYS HG3 H 1.369 0.03 2 133 564 16 LYS HD2 H 1.553 0.03 2 134 564 16 LYS HD3 H 1.685 0.03 2 135 564 16 LYS HE2 H 2.973 0.03 2 136 564 16 LYS HE3 H 2.973 0.03 2 137 564 16 LYS C C 175.502 0.30 1 138 564 16 LYS CA C 58.610 0.30 1 139 564 16 LYS CB C 31.894 0.30 1 140 564 16 LYS CG C 24.737 0.30 1 141 564 16 LYS CD C 28.590 0.30 1 142 564 16 LYS CE C 42.244 0.30 1 143 564 16 LYS N N 122.918 0.30 1 144 565 17 ILE H H 7.868 0.03 1 145 565 17 ILE HA H 3.844 0.03 1 146 565 17 ILE HB H 1.550 0.03 1 147 565 17 ILE HG12 H 0.914 0.03 2 148 565 17 ILE HG13 H 1.619 0.03 2 149 565 17 ILE HG2 H 0.728 0.03 1 150 565 17 ILE HD1 H 0.492 0.03 1 151 565 17 ILE C C 176.601 0.30 1 152 565 17 ILE CA C 65.573 0.30 1 153 565 17 ILE CB C 38.113 0.30 1 154 565 17 ILE CG1 C 28.066 0.30 1 155 565 17 ILE CG2 C 17.657 0.30 1 156 565 17 ILE CD1 C 13.809 0.30 1 157 565 17 ILE N N 119.282 0.30 1 158 566 18 LYS H H 8.127 0.03 1 159 566 18 LYS HA H 3.798 0.03 1 160 566 18 LYS HB2 H 1.685 0.03 2 161 566 18 LYS HB3 H 1.829 0.03 2 162 566 18 LYS HG2 H 1.214 0.03 2 163 566 18 LYS HG3 H 1.456 0.03 2 164 566 18 LYS HD2 H 1.454 0.03 2 165 566 18 LYS HD3 H 1.526 0.03 2 166 566 18 LYS HE2 H 2.767 0.03 2 167 566 18 LYS HE3 H 2.822 0.03 2 168 566 18 LYS C C 176.373 0.30 1 169 566 18 LYS CA C 60.034 0.30 1 170 566 18 LYS CB C 32.300 0.30 1 171 566 18 LYS CG C 25.661 0.30 1 172 566 18 LYS CD C 29.478 0.30 1 173 566 18 LYS CE C 41.555 0.30 1 174 566 18 LYS N N 118.623 0.30 1 175 567 19 SER H H 8.006 0.03 1 176 567 19 SER HA H 4.033 0.03 1 177 567 19 SER HB2 H 3.876 0.03 2 178 567 19 SER HB3 H 3.923 0.03 2 179 567 19 SER C C 173.365 0.30 1 180 567 19 SER CA C 61.181 0.30 1 181 567 19 SER CB C 62.742 0.30 1 182 567 19 SER N N 114.846 0.30 1 183 568 20 ASP H H 7.956 0.03 1 184 568 20 ASP HA H 4.313 0.03 1 185 568 20 ASP HB2 H 2.169 0.03 2 186 568 20 ASP HB3 H 2.645 0.03 2 187 568 20 ASP C C 172.776 0.30 1 188 568 20 ASP CA C 55.347 0.30 1 189 568 20 ASP CB C 40.977 0.30 1 190 568 20 ASP N N 119.776 0.30 1 191 569 21 HIS H H 7.377 0.03 1 192 569 21 HIS HA H 4.737 0.03 1 193 569 21 HIS HB2 H 2.834 0.03 2 194 569 21 HIS HB3 H 3.027 0.03 2 195 569 21 HIS HD2 H 7.021 0.03 1 196 569 21 HIS HE1 H 7.819 0.03 1 197 569 21 HIS C C 168.002 0.30 1 198 569 21 HIS CA C 53.985 0.30 1 199 569 21 HIS CB C 29.633 0.30 1 200 569 21 HIS N N 118.316 0.30 1 201 570 22 PRO HA H 4.335 0.03 1 202 570 22 PRO HB2 H 1.824 0.03 2 203 570 22 PRO HB3 H 2.187 0.03 2 204 570 22 PRO HG2 H 1.888 0.03 2 205 570 22 PRO HG3 H 1.961 0.03 2 206 570 22 PRO HD2 H 3.304 0.03 2 207 570 22 PRO HD3 H 3.402 0.03 2 208 570 22 PRO C C 176.330 0.30 1 209 570 22 PRO CA C 63.963 0.30 1 210 570 22 PRO CB C 31.402 0.30 1 211 570 22 PRO CG C 27.614 0.30 1 212 570 22 PRO CD C 49.666 0.30 1 213 571 23 GLY H H 8.773 0.03 1 214 571 23 GLY HA2 H 4.017 0.03 2 215 571 23 GLY HA3 H 3.683 0.03 2 216 571 23 GLY C C 172.059 0.30 1 217 571 23 GLY CA C 45.332 0.30 1 218 571 23 GLY N N 112.042 0.30 1 219 572 24 ILE H H 7.723 0.03 1 220 572 24 ILE HA H 4.188 0.03 1 221 572 24 ILE HB H 2.179 0.03 1 222 572 24 ILE HG12 H 1.554 0.03 2 223 572 24 ILE HG13 H 1.450 0.03 2 224 572 24 ILE HG2 H 0.905 0.03 1 225 572 24 ILE HD1 H 0.511 0.03 1 226 572 24 ILE C C 172.276 0.30 1 227 572 24 ILE CA C 61.721 0.30 1 228 572 24 ILE CB C 38.230 0.30 1 229 572 24 ILE CG1 C 28.630 0.30 1 230 572 24 ILE CG2 C 16.852 0.30 1 231 572 24 ILE CD1 C 13.507 0.30 1 232 572 24 ILE N N 121.024 0.30 1 233 573 25 SER H H 9.000 0.03 1 234 573 25 SER HA H 4.420 0.03 1 235 573 25 SER HB2 H 4.008 0.03 2 236 573 25 SER HB3 H 4.277 0.03 2 237 573 25 SER C C 172.325 0.30 1 238 573 25 SER CA C 57.221 0.30 1 239 573 25 SER CB C 65.244 0.30 1 240 573 25 SER N N 123.212 0.30 1 241 574 26 ILE H H 8.662 0.03 1 242 574 26 ILE HA H 3.779 0.03 1 243 574 26 ILE HB H 1.831 0.03 1 244 574 26 ILE HG12 H 1.525 0.03 2 245 574 26 ILE HG13 H 1.225 0.03 2 246 574 26 ILE HG2 H 0.882 0.03 1 247 574 26 ILE HD1 H 0.809 0.03 1 248 574 26 ILE C C 176.176 0.30 1 249 574 26 ILE CA C 64.549 0.30 1 250 574 26 ILE CB C 37.675 0.30 1 251 574 26 ILE CG1 C 28.584 0.30 1 252 574 26 ILE CG2 C 17.421 0.30 1 253 574 26 ILE CD1 C 12.811 0.30 1 254 574 26 ILE N N 120.632 0.30 1 255 575 27 THR H H 7.883 0.03 1 256 575 27 THR HA H 3.986 0.03 1 257 575 27 THR HB H 3.991 0.03 1 258 575 27 THR HG2 H 1.156 0.03 1 259 575 27 THR C C 174.408 0.30 1 260 575 27 THR CA C 65.324 0.30 1 261 575 27 THR CB C 68.180 0.30 1 262 575 27 THR CG2 C 21.946 0.30 1 263 575 27 THR N N 114.682 0.30 1 264 576 28 ASP H H 7.790 0.03 1 265 576 28 ASP HA H 4.470 0.03 1 266 576 28 ASP HB2 H 2.437 0.03 2 267 576 28 ASP HB3 H 2.734 0.03 2 268 576 28 ASP C C 176.091 0.30 1 269 576 28 ASP CA C 56.980 0.30 1 270 576 28 ASP CB C 39.345 0.30 1 271 576 28 ASP N N 123.748 0.30 1 272 577 29 LEU H H 8.721 0.03 1 273 577 29 LEU HA H 3.808 0.03 1 274 577 29 LEU HB2 H 1.549 0.03 2 275 577 29 LEU HB3 H 1.855 0.03 2 276 577 29 LEU HG H 1.487 0.03 1 277 577 29 LEU HD1 H 0.733 0.03 2 278 577 29 LEU HD2 H 0.762 0.03 2 279 577 29 LEU C C 175.305 0.30 1 280 577 29 LEU CA C 58.882 0.30 1 281 577 29 LEU CB C 41.168 0.30 1 282 577 29 LEU CG C 27.576 0.30 1 283 577 29 LEU CD1 C 25.224 0.30 2 284 577 29 LEU CD2 C 24.856 0.30 2 285 577 29 LEU N N 124.958 0.30 1 286 578 30 SER H H 7.633 0.03 1 287 578 30 SER HA H 4.037 0.03 1 288 578 30 SER HB2 H 3.939 0.03 2 289 578 30 SER HB3 H 3.939 0.03 2 290 578 30 SER C C 174.459 0.30 1 291 578 30 SER CA C 61.758 0.30 1 292 578 30 SER CB C 62.577 0.30 1 293 578 30 SER N N 113.829 0.30 1 294 579 31 LYS H H 7.436 0.03 1 295 579 31 LYS HA H 4.028 0.03 1 296 579 31 LYS HB2 H 1.857 0.03 2 297 579 31 LYS HB3 H 1.857 0.03 2 298 579 31 LYS HG2 H 1.318 0.03 2 299 579 31 LYS HG3 H 1.484 0.03 2 300 579 31 LYS HD2 H 1.615 0.03 2 301 579 31 LYS HD3 H 1.615 0.03 2 302 579 31 LYS HE2 H 2.872 0.03 2 303 579 31 LYS HE3 H 2.872 0.03 2 304 579 31 LYS C C 176.403 0.30 1 305 579 31 LYS CA C 59.347 0.30 1 306 579 31 LYS CB C 32.529 0.30 1 307 579 31 LYS CG C 24.853 0.30 1 308 579 31 LYS CD C 29.437 0.30 1 309 579 31 LYS CE C 41.962 0.30 1 310 579 31 LYS N N 121.584 0.30 1 311 580 32 LYS H H 8.330 0.03 1 312 580 32 LYS HA H 4.054 0.03 1 313 580 32 LYS HB2 H 1.622 0.03 2 314 580 32 LYS HB3 H 1.744 0.03 2 315 580 32 LYS HG2 H 0.881 0.03 2 316 580 32 LYS HG3 H 1.185 0.03 2 317 580 32 LYS HD2 H 1.323 0.03 2 318 580 32 LYS HD3 H 1.475 0.03 2 319 580 32 LYS HE2 H 2.320 0.03 2 320 580 32 LYS HE3 H 2.636 0.03 2 321 580 32 LYS C C 175.709 0.30 1 322 580 32 LYS CA C 57.717 0.30 1 323 580 32 LYS CB C 30.854 0.30 1 324 580 32 LYS CG C 23.666 0.30 1 325 580 32 LYS CD C 27.064 0.30 1 326 580 32 LYS CE C 40.975 0.30 1 327 580 32 LYS N N 121.052 0.30 1 328 581 33 ALA H H 8.855 0.03 1 329 581 33 ALA HA H 4.223 0.03 1 330 581 33 ALA HB H 1.548 0.03 1 331 581 33 ALA C C 176.588 0.30 1 332 581 33 ALA CA C 55.724 0.30 1 333 581 33 ALA CB C 18.840 0.30 1 334 581 33 ALA N N 120.946 0.30 1 335 582 34 GLY H H 7.904 0.03 1 336 582 34 GLY HA2 H 3.938 0.03 2 337 582 34 GLY HA3 H 3.857 0.03 2 338 582 34 GLY C C 174.129 0.30 1 339 582 34 GLY CA C 47.587 0.30 1 340 582 34 GLY N N 103.849 0.30 1 341 583 35 GLU H H 7.775 0.03 1 342 583 35 GLU HA H 3.968 0.03 1 343 583 35 GLU HB2 H 2.097 0.03 2 344 583 35 GLU HB3 H 2.246 0.03 2 345 583 35 GLU HG2 H 2.164 0.03 2 346 583 35 GLU HG3 H 2.363 0.03 2 347 583 35 GLU C C 177.077 0.30 1 348 583 35 GLU CA C 59.137 0.30 1 349 583 35 GLU CB C 29.734 0.30 1 350 583 35 GLU CG C 36.125 0.30 1 351 583 35 GLU N N 122.750 0.30 1 352 584 36 ILE H H 8.549 0.03 1 353 584 36 ILE HA H 3.613 0.03 1 354 584 36 ILE HB H 2.154 0.03 1 355 584 36 ILE HG12 H 1.907 0.03 2 356 584 36 ILE HG13 H 1.075 0.03 2 357 584 36 ILE HG2 H 1.079 0.03 1 358 584 36 ILE HD1 H 0.949 0.03 1 359 584 36 ILE C C 176.506 0.30 1 360 584 36 ILE CA C 65.216 0.30 1 361 584 36 ILE CB C 38.683 0.30 1 362 584 36 ILE CG1 C 29.003 0.30 1 363 584 36 ILE CG2 C 18.129 0.30 1 364 584 36 ILE CD1 C 14.447 0.30 1 365 584 36 ILE N N 123.077 0.30 1 366 585 37 TRP H H 8.506 0.03 1 367 585 37 TRP HA H 3.829 0.03 1 368 585 37 TRP HB2 H 2.962 0.03 2 369 585 37 TRP HB3 H 3.034 0.03 2 370 585 37 TRP HD1 H 6.845 0.03 1 371 585 37 TRP HE1 H 9.936 0.03 1 372 585 37 TRP HE3 H 5.715 0.03 1 373 585 37 TRP HZ2 H 7.386 0.03 1 374 585 37 TRP HZ3 H 6.116 0.03 1 375 585 37 TRP HH2 H 6.913 0.03 1 376 585 37 TRP C C 176.058 0.30 1 377 585 37 TRP CA C 59.968 0.30 1 378 585 37 TRP CB C 29.666 0.30 1 379 585 37 TRP N N 121.029 0.30 1 380 585 37 TRP NE1 N 127.242 0.30 1 381 586 38 LYS H H 7.968 0.03 1 382 586 38 LYS HA H 3.685 0.03 1 383 586 38 LYS HB2 H 1.808 0.03 2 384 586 38 LYS HB3 H 1.808 0.03 2 385 586 38 LYS HG2 H 1.268 0.03 2 386 586 38 LYS HG3 H 1.355 0.03 2 387 586 38 LYS HD2 H 1.573 0.03 2 388 586 38 LYS HD3 H 1.573 0.03 2 389 586 38 LYS HE2 H 2.899 0.03 2 390 586 38 LYS HE3 H 2.899 0.03 2 391 586 38 LYS C C 175.515 0.30 1 392 586 38 LYS CA C 59.633 0.30 1 393 586 38 LYS CB C 32.271 0.30 1 394 586 38 LYS CG C 24.436 0.30 1 395 586 38 LYS CD C 29.383 0.30 1 396 586 38 LYS CE C 42.022 0.30 1 397 586 38 LYS N N 117.604 0.30 1 398 587 39 GLY H H 7.320 0.03 1 399 587 39 GLY HA2 H 3.993 0.03 2 400 587 39 GLY HA3 H 3.568 0.03 2 401 587 39 GLY C C 171.401 0.30 1 402 587 39 GLY CA C 44.891 0.30 1 403 587 39 GLY N N 102.949 0.30 1 404 588 40 MET H H 7.094 0.03 1 405 588 40 MET HA H 3.960 0.03 1 406 588 40 MET HB2 H 1.482 0.03 2 407 588 40 MET HB3 H 1.585 0.03 2 408 588 40 MET HG2 H 2.379 0.03 2 409 588 40 MET HG3 H 2.379 0.03 2 410 588 40 MET HE H 1.420 0.03 1 411 588 40 MET C C 173.171 0.30 1 412 588 40 MET CA C 56.288 0.30 1 413 588 40 MET CB C 33.798 0.30 1 414 588 40 MET CG C 31.212 0.30 1 415 588 40 MET CE C 15.581 0.30 1 416 588 40 MET N N 122.455 0.30 1 417 589 41 SER H H 8.387 0.03 1 418 589 41 SER HA H 4.131 0.03 1 419 589 41 SER HB2 H 3.954 0.03 2 420 589 41 SER HB3 H 4.227 0.03 2 421 589 41 SER C C 171.760 0.30 1 422 589 41 SER CA C 57.493 0.30 1 423 589 41 SER CB C 64.562 0.30 1 424 589 41 SER N N 119.297 0.30 1 425 590 42 LYS H H 8.749 0.03 1 426 590 42 LYS HA H 3.698 0.03 1 427 590 42 LYS HB2 H 1.658 0.03 2 428 590 42 LYS HB3 H 1.806 0.03 2 429 590 42 LYS HG2 H 1.269 0.03 2 430 590 42 LYS HG3 H 1.353 0.03 2 431 590 42 LYS C C 175.949 0.30 1 432 590 42 LYS CA C 59.778 0.30 1 433 590 42 LYS CB C 32.316 0.30 1 434 590 42 LYS CG C 24.400 0.30 1 435 590 42 LYS CD C 29.415 0.30 1 436 590 42 LYS CE C 41.899 0.30 1 437 590 42 LYS N N 122.442 0.30 1 438 591 43 GLU H H 8.857 0.03 1 439 591 43 GLU HA H 4.003 0.03 1 440 591 43 GLU HB2 H 1.858 0.03 2 441 591 43 GLU HB3 H 1.977 0.03 2 442 591 43 GLU HG2 H 2.199 0.03 2 443 591 43 GLU HG3 H 2.319 0.03 2 444 591 43 GLU C C 176.635 0.30 1 445 591 43 GLU CA C 60.034 0.30 1 446 591 43 GLU CB C 28.558 0.30 1 447 591 43 GLU CG C 36.845 0.30 1 448 591 43 GLU N N 117.632 0.30 1 449 592 44 LYS H H 7.540 0.03 1 450 592 44 LYS HA H 4.140 0.03 1 451 592 44 LYS HB2 H 1.777 0.03 2 452 592 44 LYS HB3 H 1.851 0.03 2 453 592 44 LYS HG2 H 1.409 0.03 2 454 592 44 LYS HG3 H 1.523 0.03 2 455 592 44 LYS HD2 H 1.691 0.03 2 456 592 44 LYS HD3 H 1.691 0.03 2 457 592 44 LYS HE2 H 2.971 0.03 2 458 592 44 LYS HE3 H 2.971 0.03 2 459 592 44 LYS C C 176.482 0.30 1 460 592 44 LYS CA C 57.905 0.30 1 461 592 44 LYS CB C 31.999 0.30 1 462 592 44 LYS CG C 25.536 0.30 1 463 592 44 LYS CD C 28.465 0.30 1 464 592 44 LYS CE C 42.183 0.30 1 465 592 44 LYS N N 119.950 0.30 1 466 593 45 LYS H H 7.930 0.03 1 467 593 45 LYS HA H 3.834 0.03 1 468 593 45 LYS HB2 H 1.478 0.03 2 469 593 45 LYS HB3 H 1.536 0.03 2 470 593 45 LYS HG2 H -0.281 0.03 2 471 593 45 LYS HG3 H 0.766 0.03 2 472 593 45 LYS HD2 H 0.816 0.03 2 473 593 45 LYS HD3 H 0.816 0.03 2 474 593 45 LYS HE2 H 1.561 0.03 2 475 593 45 LYS HE3 H 1.753 0.03 2 476 593 45 LYS C C 176.253 0.30 1 477 593 45 LYS CA C 60.482 0.30 1 478 593 45 LYS CB C 32.302 0.30 1 479 593 45 LYS CG C 26.140 0.30 1 480 593 45 LYS CD C 28.794 0.30 1 481 593 45 LYS CE C 42.147 0.30 1 482 593 45 LYS N N 119.316 0.30 1 483 594 46 GLU H H 8.031 0.03 1 484 594 46 GLU HA H 4.105 0.03 1 485 594 46 GLU HB2 H 1.969 0.03 2 486 594 46 GLU HB3 H 2.102 0.03 2 487 594 46 GLU HG2 H 2.246 0.03 2 488 594 46 GLU HG3 H 2.467 0.03 2 489 594 46 GLU C C 175.965 0.30 1 490 594 46 GLU CA C 59.487 0.30 1 491 594 46 GLU CB C 29.274 0.30 1 492 594 46 GLU CG C 36.729 0.30 1 493 594 46 GLU N N 119.052 0.30 1 494 595 47 GLU H H 7.613 0.03 1 495 595 47 GLU HA H 3.856 0.03 1 496 595 47 GLU HB2 H 1.691 0.03 2 497 595 47 GLU HB3 H 1.919 0.03 2 498 595 47 GLU HG2 H 1.572 0.03 2 499 595 47 GLU HG3 H 1.861 0.03 2 500 595 47 GLU C C 176.048 0.30 1 501 595 47 GLU CA C 59.225 0.30 1 502 595 47 GLU CB C 29.286 0.30 1 503 595 47 GLU CG C 35.551 0.30 1 504 595 47 GLU N N 118.488 0.30 1 505 596 48 TRP H H 7.390 0.03 1 506 596 48 TRP HA H 4.345 0.03 1 507 596 48 TRP HB2 H 3.512 0.03 2 508 596 48 TRP HB3 H 3.850 0.03 2 509 596 48 TRP HD1 H 7.535 0.03 1 510 596 48 TRP HE1 H 10.526 0.03 1 511 596 48 TRP HE3 H 7.571 0.03 1 512 596 48 TRP HZ2 H 7.616 0.03 1 513 596 48 TRP HZ3 H 6.955 0.03 1 514 596 48 TRP HH2 H 7.082 0.03 1 515 596 48 TRP C C 175.271 0.30 1 516 596 48 TRP CA C 59.987 0.30 1 517 596 48 TRP CB C 29.118 0.30 1 518 596 48 TRP N N 121.250 0.30 1 519 596 48 TRP NE1 N 129.503 0.30 1 520 597 49 ASP H H 8.478 0.03 1 521 597 49 ASP HA H 4.557 0.03 1 522 597 49 ASP HB2 H 2.718 0.03 2 523 597 49 ASP HB3 H 2.872 0.03 2 524 597 49 ASP C C 176.750 0.30 1 525 597 49 ASP CA C 58.220 0.30 1 526 597 49 ASP CB C 40.717 0.30 1 527 597 49 ASP N N 122.473 0.30 1 528 598 50 ARG H H 8.146 0.03 1 529 598 50 ARG HA H 4.061 0.03 1 530 598 50 ARG HB2 H 1.873 0.03 2 531 598 50 ARG HB3 H 1.873 0.03 2 532 598 50 ARG HG2 H 1.604 0.03 2 533 598 50 ARG HG3 H 1.711 0.03 2 534 598 50 ARG HD2 H 3.149 0.03 2 535 598 50 ARG HD3 H 3.149 0.03 2 536 598 50 ARG C C 176.226 0.30 1 537 598 50 ARG CA C 59.369 0.30 1 538 598 50 ARG CB C 29.779 0.30 1 539 598 50 ARG CG C 27.408 0.30 1 540 598 50 ARG CD C 43.245 0.30 1 541 598 50 ARG N N 120.266 0.30 1 542 599 51 LYS H H 7.708 0.03 1 543 599 51 LYS HA H 4.048 0.03 1 544 599 51 LYS HB2 H 1.880 0.03 2 545 599 51 LYS HB3 H 1.880 0.03 2 546 599 51 LYS HG2 H 1.330 0.03 2 547 599 51 LYS HG3 H 1.423 0.03 2 548 599 51 LYS HD2 H 0.958 0.03 2 549 599 51 LYS HD3 H 1.332 0.03 2 550 599 51 LYS HE2 H 2.424 0.03 2 551 599 51 LYS HE3 H 2.498 0.03 2 552 599 51 LYS C C 177.128 0.30 1 553 599 51 LYS CA C 59.586 0.30 1 554 599 51 LYS CB C 32.656 0.30 1 555 599 51 LYS CG C 25.793 0.30 1 556 599 51 LYS CD C 29.347 0.30 1 557 599 51 LYS CE C 41.756 0.30 1 558 599 51 LYS N N 119.082 0.30 1 559 600 52 ALA H H 8.528 0.03 1 560 600 52 ALA HA H 4.094 0.03 1 561 600 52 ALA HB H 1.546 0.03 1 562 600 52 ALA C C 177.182 0.30 1 563 600 52 ALA CA C 55.186 0.30 1 564 600 52 ALA CB C 17.569 0.30 1 565 600 52 ALA N N 123.516 0.30 1 566 601 53 GLU H H 8.116 0.03 1 567 601 53 GLU HA H 4.089 0.03 1 568 601 53 GLU HB2 H 2.056 0.03 2 569 601 53 GLU HB3 H 2.161 0.03 2 570 601 53 GLU HG2 H 2.309 0.03 2 571 601 53 GLU HG3 H 2.309 0.03 2 572 601 53 GLU C C 176.325 0.30 1 573 601 53 GLU CA C 59.053 0.30 1 574 601 53 GLU CB C 29.133 0.30 1 575 601 53 GLU CG C 35.886 0.30 1 576 601 53 GLU N N 121.235 0.30 1 577 602 54 ASP H H 8.287 0.03 1 578 602 54 ASP HA H 4.294 0.03 1 579 602 54 ASP HB2 H 2.653 0.03 2 580 602 54 ASP HB3 H 2.701 0.03 2 581 602 54 ASP C C 175.457 0.30 1 582 602 54 ASP CA C 57.204 0.30 1 583 602 54 ASP CB C 40.018 0.30 1 584 602 54 ASP N N 120.916 0.30 1 585 603 55 ALA H H 7.969 0.03 1 586 603 55 ALA HA H 4.173 0.03 1 587 603 55 ALA HB H 1.524 0.03 1 588 603 55 ALA C C 177.765 0.30 1 589 603 55 ALA CA C 54.744 0.30 1 590 603 55 ALA CB C 17.921 0.30 1 591 603 55 ALA N N 121.551 0.30 1 592 604 56 ARG H H 8.056 0.03 1 593 604 56 ARG HA H 3.934 0.03 1 594 604 56 ARG HB2 H 1.832 0.03 2 595 604 56 ARG HB3 H 1.954 0.03 2 596 604 56 ARG HG2 H 1.433 0.03 2 597 604 56 ARG HG3 H 1.515 0.03 2 598 604 56 ARG HD2 H 3.077 0.03 2 599 604 56 ARG HD3 H 3.077 0.03 2 600 604 56 ARG C C 175.543 0.30 1 601 604 56 ARG CA C 59.508 0.30 1 602 604 56 ARG CB C 29.799 0.30 1 603 604 56 ARG CG C 27.221 0.30 1 604 604 56 ARG N N 120.331 0.30 1 605 605 57 ARG H H 8.109 0.03 1 606 605 57 ARG HA H 3.998 0.03 1 607 605 57 ARG HB2 H 1.893 0.03 2 608 605 57 ARG HB3 H 1.954 0.03 2 609 605 57 ARG HG2 H 1.523 0.03 2 610 605 57 ARG HG3 H 1.774 0.03 2 611 605 57 ARG HD2 H 3.180 0.03 2 612 605 57 ARG HD3 H 3.180 0.03 2 613 605 57 ARG C C 176.649 0.30 1 614 605 57 ARG CA C 59.253 0.30 1 615 605 57 ARG CB C 29.925 0.30 1 616 605 57 ARG CG C 27.691 0.30 1 617 605 57 ARG CD C 43.220 0.30 1 618 605 57 ARG N N 119.874 0.30 1 619 606 58 ASP H H 8.228 0.03 1 620 606 58 ASP HA H 4.378 0.03 1 621 606 58 ASP HB2 H 2.625 0.03 2 622 606 58 ASP HB3 H 2.712 0.03 2 623 606 58 ASP C C 175.744 0.30 1 624 606 58 ASP CA C 57.022 0.30 1 625 606 58 ASP CB C 40.304 0.30 1 626 606 58 ASP N N 120.190 0.30 1 627 607 59 TYR H H 8.083 0.03 1 628 607 59 TYR HA H 4.162 0.03 1 629 607 59 TYR HB2 H 3.076 0.03 2 630 607 59 TYR HB3 H 3.118 0.03 2 631 607 59 TYR HD1 H 6.956 0.03 3 632 607 59 TYR HD2 H 6.956 0.03 3 633 607 59 TYR C C 174.303 0.30 1 634 607 59 TYR CA C 60.954 0.30 1 635 607 59 TYR CB C 38.383 0.30 1 636 607 59 TYR N N 122.628 0.30 1 637 608 60 GLU H H 8.366 0.03 1 638 608 60 GLU HA H 3.733 0.03 1 639 608 60 GLU HB2 H 1.978 0.03 2 640 608 60 GLU HB3 H 2.060 0.03 2 641 608 60 GLU HG2 H 2.242 0.03 2 642 608 60 GLU HG3 H 2.499 0.03 2 643 608 60 GLU C C 176.454 0.30 1 644 608 60 GLU CA C 59.120 0.30 1 645 608 60 GLU CB C 29.335 0.30 1 646 608 60 GLU CG C 36.810 0.30 1 647 608 60 GLU N N 118.822 0.30 1 648 609 61 LYS H H 7.869 0.03 1 649 609 61 LYS HA H 3.940 0.03 1 650 609 61 LYS HB2 H 1.821 0.03 2 651 609 61 LYS HB3 H 1.821 0.03 2 652 609 61 LYS HG2 H 1.348 0.03 2 653 609 61 LYS HG3 H 1.447 0.03 2 654 609 61 LYS HD2 H 1.612 0.03 2 655 609 61 LYS HD3 H 1.612 0.03 2 656 609 61 LYS C C 175.476 0.30 1 657 609 61 LYS CA C 58.862 0.30 1 658 609 61 LYS CB C 32.485 0.30 1 659 609 61 LYS CG C 24.859 0.30 1 660 609 61 LYS CD C 29.354 0.30 1 661 609 61 LYS N N 119.218 0.30 1 662 610 62 ALA H H 7.741 0.03 1 663 610 62 ALA HA H 4.053 0.03 1 664 610 62 ALA HB H 1.306 0.03 1 665 610 62 ALA C C 176.983 0.30 1 666 610 62 ALA CA C 54.050 0.30 1 667 610 62 ALA CB C 18.250 0.30 1 668 610 62 ALA N N 121.917 0.30 1 669 611 63 MET H H 7.911 0.03 1 670 611 63 MET HA H 4.208 0.03 1 671 611 63 MET HB2 H 2.017 0.03 2 672 611 63 MET HB3 H 2.198 0.03 2 673 611 63 MET HG2 H 1.812 0.03 2 674 611 63 MET HG3 H 1.812 0.03 2 675 611 63 MET HE H 1.804 0.03 1 676 611 63 MET C C 175.168 0.30 1 677 611 63 MET CA C 56.311 0.30 1 678 611 63 MET CB C 31.897 0.30 1 679 611 63 MET CG C 32.016 0.30 1 680 611 63 MET CE C 17.118 0.30 1 681 611 63 MET N N 116.565 0.30 1 682 612 64 LYS H H 7.694 0.03 1 683 612 64 LYS HA H 4.065 0.03 1 684 612 64 LYS HB2 H 1.773 0.03 2 685 612 64 LYS HB3 H 1.773 0.03 2 686 612 64 LYS HG2 H 1.331 0.03 2 687 612 64 LYS HG3 H 1.393 0.03 2 688 612 64 LYS HD2 H 1.577 0.03 2 689 612 64 LYS HD3 H 1.577 0.03 2 690 612 64 LYS HE2 H 2.857 0.03 2 691 612 64 LYS HE3 H 2.857 0.03 2 692 612 64 LYS C C 175.135 0.30 1 693 612 64 LYS CA C 57.640 0.30 1 694 612 64 LYS CB C 32.367 0.30 1 695 612 64 LYS CG C 24.801 0.30 1 696 612 64 LYS CD C 28.923 0.30 1 697 612 64 LYS CE C 42.038 0.30 1 698 612 64 LYS N N 120.146 0.30 1 699 613 65 GLU H H 7.876 0.03 1 700 613 65 GLU HA H 4.045 0.03 1 701 613 65 GLU HB2 H 1.838 0.03 2 702 613 65 GLU HB3 H 1.838 0.03 2 703 613 65 GLU HG2 H 2.046 0.03 2 704 613 65 GLU HG3 H 2.173 0.03 2 705 613 65 GLU C C 174.308 0.30 1 706 613 65 GLU CA C 57.333 0.30 1 707 613 65 GLU CB C 29.698 0.30 1 708 613 65 GLU CG C 36.130 0.30 1 709 613 65 GLU N N 119.170 0.30 1 710 614 66 TYR H H 7.829 0.03 1 711 614 66 TYR HA H 4.388 0.03 1 712 614 66 TYR HB2 H 2.915 0.03 2 713 614 66 TYR HB3 H 2.981 0.03 2 714 614 66 TYR HD1 H 7.012 0.03 3 715 614 66 TYR HD2 H 7.012 0.03 3 716 614 66 TYR C C 173.542 0.30 1 717 614 66 TYR CA C 58.523 0.30 1 718 614 66 TYR CB C 38.642 0.30 1 719 614 66 TYR N N 119.519 0.30 1 720 615 67 GLU H H 8.078 0.03 1 721 615 67 GLU HA H 4.151 0.03 1 722 615 67 GLU HB2 H 1.854 0.03 2 723 615 67 GLU HB3 H 1.978 0.03 2 724 615 67 GLU HG2 H 2.129 0.03 2 725 615 67 GLU HG3 H 2.211 0.03 2 726 615 67 GLU C C 173.927 0.30 1 727 615 67 GLU CA C 56.605 0.30 1 728 615 67 GLU CB C 30.282 0.30 1 729 615 67 GLU CG C 36.306 0.30 1 730 615 67 GLU N N 121.638 0.30 1 731 616 68 GLY H H 7.695 0.03 1 732 616 68 GLY HA2 H 3.853 0.03 2 733 616 68 GLY HA3 H 3.792 0.03 2 734 616 68 GLY C C 170.909 0.30 1 735 616 68 GLY CA C 45.317 0.30 1 736 616 68 GLY N N 108.934 0.30 1 737 617 69 GLY H H 7.883 0.03 1 738 617 69 GLY HA2 H 3.669 0.03 2 739 617 69 GLY HA3 H 3.669 0.03 2 740 617 69 GLY C C 176.381 0.30 1 741 617 69 GLY CA C 45.930 0.30 1 742 617 69 GLY N N 114.778 0.30 1 stop_ save_