data_18124 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of D. radiodurans RecQ HRDC domain 1 ; _BMRB_accession_number 18124 _BMRB_flat_file_name bmr18124.str _Entry_type original _Submission_date 2011-12-08 _Accession_date 2011-12-08 _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 Cao Chunyang . . 2 Dong Yuhui . . 3 Liu Shanshan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 418 "13C chemical shifts" 287 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-23 original author . stop_ _Original_release_date 2014-04-23 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the N-terminal-most HRDC1 domain of RecQ helicase from Deinococcus radiodurans.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23831579 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Shanshan . . 2 Zhang Wen . . 3 Gao Zengqiang . . 4 Ming Qianqian . . 5 Hou Haifeng . . 6 Lan Wenxian . . 7 Wu Houming . . 8 Cao Chunyang . . 9 Dong Yuhui . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 587 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2635 _Page_last 2642 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'D. radiodurans RecQ' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'D. radiodurans RecQ' $D._radiodurans_RecQ 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_D._radiodurans_RecQ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common D._radiodurans_RecQ _Molecular_mass 8054.224 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; HDAPLFEALRAWRLQKAKEL SLPPYTIFHDATLKTIAELR PGSHATLGTVSGVGGRKLAA YGDEVLQVVRDSSGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 536 HIS 2 537 ASP 3 538 ALA 4 539 PRO 5 540 LEU 6 541 PHE 7 542 GLU 8 543 ALA 9 544 LEU 10 545 ARG 11 546 ALA 12 547 TRP 13 548 ARG 14 549 LEU 15 550 GLN 16 551 LYS 17 552 ALA 18 553 LYS 19 554 GLU 20 555 LEU 21 556 SER 22 557 LEU 23 558 PRO 24 559 PRO 25 560 TYR 26 561 THR 27 562 ILE 28 563 PHE 29 564 HIS 30 565 ASP 31 566 ALA 32 567 THR 33 568 LEU 34 569 LYS 35 570 THR 36 571 ILE 37 572 ALA 38 573 GLU 39 574 LEU 40 575 ARG 41 576 PRO 42 577 GLY 43 578 SER 44 579 HIS 45 580 ALA 46 581 THR 47 582 LEU 48 583 GLY 49 584 THR 50 585 VAL 51 586 SER 52 587 GLY 53 588 VAL 54 589 GLY 55 590 GLY 56 591 ARG 57 592 LYS 58 593 LEU 59 594 ALA 60 595 ALA 61 596 TYR 62 597 GLY 63 598 ASP 64 599 GLU 65 600 VAL 66 601 LEU 67 602 GLN 68 603 VAL 69 604 VAL 70 605 ARG 71 606 ASP 72 607 SER 73 608 SER 74 609 GLY 75 610 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-05 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 BMRB 19317 DNA_helicase_RecQ 100.00 75 100.00 100.00 8.04e-46 PDB 2MA1 "Solution Structure Of Hrdc1 Domain Of Recq Helicase From Deinococcus Radiodurans" 100.00 75 100.00 100.00 8.04e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $D._radiodurans_RecQ 'Deinococcus radiodurans' 1299 Bacteria . Deinococcus radiodurans 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 $D._radiodurans_RecQ 'recombinant technology' . Escherichia coli BL21(DE3) pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $D._radiodurans_RecQ 2 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 . pH pressure 760 . mmHg temperature 293 . 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 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '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 'D. radiodurans RecQ' _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 1 536 1 HIS HA H 4.133 . 1 2 536 1 HIS HB2 H 2.852 . 1 3 536 1 HIS HB3 H 3.101 . 2 4 536 1 HIS HD2 H 6.843 . 1 5 536 1 HIS C C 177.493 . 1 6 536 1 HIS CA C 54.947 . 1 7 536 1 HIS CB C 31.549 . 1 8 536 1 HIS CD2 C 118.655 . 1 9 537 2 ASP H H 8.873 . 1 10 537 2 ASP HA H 4.382 . 1 11 537 2 ASP HB2 H 2.599 . 1 12 537 2 ASP HB3 H 2.321 . 2 13 537 2 ASP C C 176.166 . 1 14 537 2 ASP CA C 53.771 . 1 15 537 2 ASP CB C 40.956 . 1 16 537 2 ASP N N 121.532 . 1 17 538 3 ALA H H 7.941 . 1 18 538 3 ALA HA H 4.485 . 1 19 538 3 ALA HB H 1.500 . 1 20 538 3 ALA CA C 54.380 . 1 21 538 3 ALA CB C 17.051 . 1 22 538 3 ALA N N 124.230 . 1 23 539 4 PRO HA H 4.396 . 1 24 539 4 PRO HB2 H 2.382 . 2 25 539 4 PRO HB3 H 2.382 . 2 26 539 4 PRO HG2 H 2.080 . 2 27 539 4 PRO HG3 H 2.080 . 2 28 539 4 PRO HD2 H 3.731 . 2 29 539 4 PRO HD3 H 3.731 . 2 30 539 4 PRO C C 179.726 . 1 31 539 4 PRO CA C 65.343 . 1 32 539 4 PRO CB C 31.240 . 1 33 539 4 PRO CD C 50.208 . 1 34 540 5 LEU H H 7.923 . 1 35 540 5 LEU HA H 4.337 . 1 36 540 5 LEU HB2 H 1.915 . 1 37 540 5 LEU HB3 H 1.652 . 2 38 540 5 LEU HG H 1.178 . 1 39 540 5 LEU HD1 H 1.031 . 1 40 540 5 LEU HD2 H 1.031 . 1 41 540 5 LEU C C 177.936 . 1 42 540 5 LEU CA C 57.621 . 1 43 540 5 LEU CB C 40.494 . 1 44 540 5 LEU CD1 C 24.149 . 1 45 540 5 LEU CD2 C 24.149 . 1 46 540 5 LEU N N 120.634 . 1 47 541 6 PHE H H 8.595 . 1 48 541 6 PHE HA H 4.186 . 1 49 541 6 PHE HB2 H 3.254 . 1 50 541 6 PHE HB3 H 3.101 . 2 51 541 6 PHE HD1 H 7.055 . 1 52 541 6 PHE HD2 H 7.055 . 1 53 541 6 PHE HE1 H 6.772 . 1 54 541 6 PHE HE2 H 6.772 . 1 55 541 6 PHE HZ H 6.431 . 1 56 541 6 PHE C C 177.369 . 1 57 541 6 PHE CA C 61.402 . 1 58 541 6 PHE CB C 38.697 . 1 59 541 6 PHE CD1 C 131.520 . 1 60 541 6 PHE CD2 C 131.520 . 1 61 541 6 PHE CE1 C 118.415 . 1 62 541 6 PHE CE2 C 118.415 . 1 63 541 6 PHE CZ C 122.763 . 1 64 541 6 PHE N N 120.847 . 1 65 542 7 GLU H H 8.411 . 1 66 542 7 GLU HA H 3.931 . 1 67 542 7 GLU HB2 H 2.049 . 2 68 542 7 GLU HB3 H 2.049 . 2 69 542 7 GLU HG2 H 2.413 . 2 70 542 7 GLU HG3 H 2.413 . 2 71 542 7 GLU C C 179.561 . 1 72 542 7 GLU CA C 58.832 . 1 73 542 7 GLU CB C 28.546 . 1 74 542 7 GLU CG C 35.477 . 1 75 542 7 GLU N N 117.121 . 1 76 543 8 ALA H H 8.270 . 1 77 543 8 ALA HA H 4.278 . 1 78 543 8 ALA HB H 1.522 . 1 79 543 8 ALA C C 181.975 . 1 80 543 8 ALA CA C 55.156 . 1 81 543 8 ALA CB C 18.195 . 1 82 543 8 ALA N N 124.498 . 1 83 544 9 LEU H H 8.712 . 1 84 544 9 LEU HA H 4.320 . 1 85 544 9 LEU HB2 H 2.183 . 1 86 544 9 LEU HB3 H 1.479 . 2 87 544 9 LEU HG H 1.767 . 1 88 544 9 LEU HD1 H 0.805 . 2 89 544 9 LEU HD2 H 0.683 . 2 90 544 9 LEU C C 178.862 . 1 91 544 9 LEU CA C 57.823 . 1 92 544 9 LEU CB C 42.265 . 1 93 544 9 LEU CD1 C 22.947 . 1 94 544 9 LEU CD2 C 22.947 . 1 95 544 9 LEU N N 121.753 . 1 96 545 10 ARG H H 8.532 . 1 97 545 10 ARG HA H 3.655 . 1 98 545 10 ARG HB2 H 1.711 . 2 99 545 10 ARG HB3 H 1.711 . 2 100 545 10 ARG HG2 H 1.281 . 1 101 545 10 ARG HG3 H 1.102 . 2 102 545 10 ARG HD2 H 2.870 . 1 103 545 10 ARG HD3 H 2.809 . 2 104 545 10 ARG C C 179.358 . 1 105 545 10 ARG CA C 60.665 . 1 106 545 10 ARG CB C 30.073 . 1 107 545 10 ARG CG C 27.501 . 1 108 545 10 ARG CD C 43.806 . 1 109 545 10 ARG N N 121.300 . 1 110 546 11 ALA H H 8.359 . 1 111 546 11 ALA HA H 4.179 . 1 112 546 11 ALA HB H 1.540 . 1 113 546 11 ALA C C 180.514 . 1 114 546 11 ALA CA C 55.404 . 1 115 546 11 ALA CB C 17.857 . 1 116 546 11 ALA N N 124.043 . 1 117 547 12 TRP H H 8.337 . 1 118 547 12 TRP HA H 4.134 . 1 119 547 12 TRP HB2 H 3.409 . 1 120 547 12 TRP HB3 H 3.623 . 2 121 547 12 TRP HD1 H 7.263 . 1 122 547 12 TRP HE1 H 8.421 . 1 123 547 12 TRP C C 176.957 . 1 124 547 12 TRP CA C 61.679 . 1 125 547 12 TRP CB C 27.947 . 1 126 547 12 TRP CD1 C 127.332 . 1 127 547 12 TRP N N 121.943 . 1 128 548 13 ARG H H 8.698 . 1 129 548 13 ARG HA H 2.684 . 1 130 548 13 ARG HB2 H 2.131 . 1 131 548 13 ARG HB3 H 1.815 . 2 132 548 13 ARG HG2 H 1.506 . 1 133 548 13 ARG HG3 H 1.387 . 2 134 548 13 ARG HD2 H 3.945 . 1 135 548 13 ARG HD3 H 2.900 . 2 136 548 13 ARG HE H 6.670 . 1 137 548 13 ARG HH11 H 6.715 . 1 138 548 13 ARG HH21 H 6.717 . 1 139 548 13 ARG C C 176.643 . 1 140 548 13 ARG CA C 59.057 . 1 141 548 13 ARG CB C 29.977 . 1 142 548 13 ARG CD C 43.586 . 1 143 548 13 ARG N N 120.252 . 1 144 549 14 LEU H H 7.726 . 1 145 549 14 LEU HA H 3.827 . 1 146 549 14 LEU HB2 H 1.747 . 2 147 549 14 LEU HB3 H 1.747 . 2 148 549 14 LEU HG H 1.678 . 1 149 549 14 LEU HD1 H 0.902 . 1 150 549 14 LEU HD2 H 0.902 . 1 151 549 14 LEU C C 178.737 . 1 152 549 14 LEU CA C 57.968 . 1 153 549 14 LEU CB C 41.944 . 1 154 549 14 LEU CD1 C 24.275 . 1 155 549 14 LEU CD2 C 24.275 . 1 156 549 14 LEU N N 119.884 . 1 157 550 15 GLN H H 7.438 . 1 158 550 15 GLN HA H 3.921 . 1 159 550 15 GLN HB2 H 2.096 . 2 160 550 15 GLN HB3 H 2.096 . 2 161 550 15 GLN HG2 H 2.366 . 2 162 550 15 GLN HG3 H 2.366 . 2 163 550 15 GLN HE21 H 7.667 . 2 164 550 15 GLN HE22 H 6.930 . 2 165 550 15 GLN C C 178.399 . 1 166 550 15 GLN CA C 58.360 . 1 167 550 15 GLN CB C 27.603 . 1 168 550 15 GLN CG C 32.939 . 1 169 550 15 GLN N N 118.697 . 1 170 550 15 GLN NE2 N 112.462 . 1 171 551 16 LYS H H 8.207 . 1 172 551 16 LYS HA H 3.846 . 1 173 551 16 LYS HB2 H 0.676 . 1 174 551 16 LYS HB3 H 0.984 . 2 175 551 16 LYS HG2 H 0.668 . 1 176 551 16 LYS HG3 H 0.958 . 2 177 551 16 LYS HD2 H 0.995 . 1 178 551 16 LYS HD3 H 0.676 . 2 179 551 16 LYS HE2 H 2.999 . 2 180 551 16 LYS HE3 H 2.999 . 2 181 551 16 LYS C C 177.667 . 1 182 551 16 LYS CA C 56.470 . 1 183 551 16 LYS CB C 29.687 . 1 184 551 16 LYS CG C 29.634 . 1 185 551 16 LYS CE C 41.910 . 1 186 551 16 LYS N N 122.490 . 1 187 552 17 ALA H H 8.325 . 1 188 552 17 ALA HA H 3.702 . 1 189 552 17 ALA HB H 1.441 . 1 190 552 17 ALA C C 179.949 . 1 191 552 17 ALA CA C 55.493 . 1 192 552 17 ALA CB C 17.846 . 1 193 552 17 ALA N N 121.373 . 1 194 553 18 LYS H H 7.633 . 1 195 553 18 LYS HA H 4.045 . 1 196 553 18 LYS HB2 H 1.894 . 2 197 553 18 LYS HB3 H 1.894 . 2 198 553 18 LYS HG2 H 1.374 . 1 199 553 18 LYS HG3 H 1.544 . 2 200 553 18 LYS HD2 H 1.402 . 2 201 553 18 LYS HD3 H 1.402 . 2 202 553 18 LYS HE2 H 2.912 . 2 203 553 18 LYS HE3 H 2.912 . 2 204 553 18 LYS C C 180.012 . 1 205 553 18 LYS CA C 58.925 . 1 206 553 18 LYS CB C 32.046 . 1 207 553 18 LYS CG C 25.062 . 1 208 553 18 LYS CD C 25.061 . 1 209 553 18 LYS CE C 41.891 . 1 210 553 18 LYS N N 117.317 . 1 211 554 19 GLU H H 8.073 . 1 212 554 19 GLU HA H 3.938 . 1 213 554 19 GLU HB2 H 2.189 . 2 214 554 19 GLU HB3 H 2.189 . 2 215 554 19 GLU HG2 H 2.451 . 2 216 554 19 GLU HG3 H 2.451 . 2 217 554 19 GLU C C 178.905 . 1 218 554 19 GLU CA C 59.264 . 1 219 554 19 GLU CB C 29.773 . 1 220 554 19 GLU CG C 36.001 . 1 221 554 19 GLU N N 118.028 . 1 222 555 20 LEU H H 7.996 . 1 223 555 20 LEU HA H 4.330 . 1 224 555 20 LEU HB2 H 1.523 . 2 225 555 20 LEU HB3 H 1.523 . 2 226 555 20 LEU HG H 1.778 . 1 227 555 20 LEU HD1 H 0.903 . 1 228 555 20 LEU HD2 H 0.903 . 1 229 555 20 LEU C C 176.014 . 1 230 555 20 LEU CA C 54.690 . 1 231 555 20 LEU CB C 42.556 . 1 232 555 20 LEU N N 115.956 . 1 233 556 21 SER H H 7.802 . 1 234 556 21 SER HB2 H 4.001 . 2 235 556 21 SER HB3 H 4.001 . 2 236 556 21 SER C C 173.701 . 1 237 556 21 SER CA C 58.593 . 1 238 556 21 SER CB C 61.228 . 1 239 556 21 SER N N 114.976 . 1 240 557 22 LEU H H 8.110 . 1 241 557 22 LEU HA H 4.818 . 1 242 557 22 LEU HB2 H 1.010 . 1 243 557 22 LEU HB3 H 1.233 . 2 244 557 22 LEU HG H 1.494 . 1 245 557 22 LEU HD1 H 0.859 . 2 246 557 22 LEU HD2 H 0.697 . 2 247 557 22 LEU CA C 51.042 . 1 248 557 22 LEU CB C 44.790 . 1 249 557 22 LEU CD1 C 25.391 . 1 250 557 22 LEU CD2 C 25.165 . 2 251 557 22 LEU N N 119.301 . 1 252 558 23 PRO HA H 4.514 . 1 253 558 23 PRO HB2 H 2.299 . 1 254 558 23 PRO HB3 H 1.367 . 2 255 558 23 PRO HG2 H 1.995 . 1 256 558 23 PRO HG3 H 1.929 . 2 257 558 23 PRO HD2 H 3.430 . 1 258 558 23 PRO HD3 H 3.680 . 2 259 558 23 PRO CA C 60.543 . 1 260 558 23 PRO CB C 31.301 . 1 261 558 23 PRO CD C 50.100 . 1 262 559 24 PRO HA H 3.792 . 1 263 559 24 PRO HB2 H 1.778 . 2 264 559 24 PRO HB3 H 1.778 . 2 265 559 24 PRO HG2 H 1.894 . 2 266 559 24 PRO HG3 H 1.894 . 2 267 559 24 PRO HD2 H 1.365 . 2 268 559 24 PRO HD3 H 1.365 . 2 269 559 24 PRO C C 177.927 . 1 270 559 24 PRO CA C 66.073 . 1 271 559 24 PRO CB C 31.677 . 1 272 560 25 TYR H H 7.672 . 1 273 560 25 TYR HA H 4.393 . 1 274 560 25 TYR HB2 H 2.922 . 2 275 560 25 TYR HB3 H 2.922 . 2 276 560 25 TYR HD1 H 6.991 . 1 277 560 25 TYR HD2 H 6.991 . 1 278 560 25 TYR HE2 H 6.890 . 3 279 560 25 TYR C C 176.096 . 1 280 560 25 TYR CA C 57.592 . 1 281 560 25 TYR CB C 35.625 . 1 282 560 25 TYR CD1 C 132.661 . 1 283 560 25 TYR CD2 C 132.661 . 1 284 560 25 TYR N N 112.183 . 1 285 561 26 THR H H 7.414 . 1 286 561 26 THR HA H 4.015 . 1 287 561 26 THR HB H 4.012 . 1 288 561 26 THR HG2 H 1.110 . 1 289 561 26 THR C C 175.218 . 1 290 561 26 THR CA C 63.644 . 1 291 561 26 THR CB C 66.333 . 1 292 561 26 THR CG2 C 22.414 . 1 293 561 26 THR N N 112.685 . 1 294 562 27 ILE H H 7.355 . 1 295 562 27 ILE HA H 3.466 . 1 296 562 27 ILE HB H 1.748 . 1 297 562 27 ILE HG12 H 0.791 . 1 298 562 27 ILE HG13 H 1.127 . 2 299 562 27 ILE HG2 H 0.026 . 1 300 562 27 ILE HD1 H 0.349 . 1 301 562 27 ILE C C 173.966 . 1 302 562 27 ILE CA C 63.713 . 1 303 562 27 ILE CB C 35.866 . 1 304 562 27 ILE CG1 C 27.116 . 1 305 562 27 ILE CG2 C 16.561 . 1 306 562 27 ILE CD1 C 12.315 . 1 307 562 27 ILE N N 123.954 . 1 308 563 28 PHE H H 6.697 . 1 309 563 28 PHE HA H 5.150 . 1 310 563 28 PHE HB2 H 3.402 . 1 311 563 28 PHE HB3 H 2.308 . 2 312 563 28 PHE HD1 H 7.228 . 1 313 563 28 PHE HD2 H 7.228 . 1 314 563 28 PHE HE1 H 7.257 . 1 315 563 28 PHE HE2 H 7.257 . 1 316 563 28 PHE HZ H 6.955 . 1 317 563 28 PHE C C 175.669 . 1 318 563 28 PHE CA C 57.100 . 1 319 563 28 PHE CB C 46.778 . 1 320 563 28 PHE CD1 C 132.733 . 1 321 563 28 PHE CD2 C 132.733 . 1 322 563 28 PHE CE1 C 113.355 . 1 323 563 28 PHE CE2 C 113.355 . 1 324 563 28 PHE CZ C 127.492 . 1 325 563 28 PHE N N 108.622 . 1 326 564 29 HIS H H 9.734 . 1 327 564 29 HIS HA H 4.628 . 1 328 564 29 HIS HB2 H 3.317 . 1 329 564 29 HIS HB3 H 3.499 . 2 330 564 29 HIS HD2 H 7.317 . 1 331 564 29 HIS HE1 H 7.166 . 1 332 564 29 HIS C C 176.976 . 1 333 564 29 HIS CA C 56.812 . 1 334 564 29 HIS CB C 30.828 . 1 335 564 29 HIS CD2 C 139.151 . 1 336 564 29 HIS CE1 C 119.041 . 1 337 564 29 HIS N N 121.497 . 1 338 565 30 ASP H H 9.368 . 1 339 565 30 ASP HA H 4.349 . 1 340 565 30 ASP HB2 H 2.848 . 2 341 565 30 ASP HB3 H 2.848 . 2 342 565 30 ASP C C 178.440 . 1 343 565 30 ASP CA C 59.058 . 1 344 565 30 ASP CB C 39.745 . 1 345 565 30 ASP N N 124.257 . 1 346 566 31 ALA H H 9.527 . 1 347 566 31 ALA HA H 4.116 . 1 348 566 31 ALA HB H 1.466 . 1 349 566 31 ALA C C 180.729 . 1 350 566 31 ALA CA C 55.520 . 1 351 566 31 ALA CB C 18.124 . 1 352 566 31 ALA N N 121.118 . 1 353 567 32 THR H H 7.197 . 1 354 567 32 THR HA H 4.018 . 1 355 567 32 THR HB H 4.283 . 1 356 567 32 THR HG2 H 1.039 . 1 357 567 32 THR C C 176.107 . 1 358 567 32 THR CA C 65.948 . 1 359 567 32 THR CB C 68.850 . 1 360 567 32 THR CG2 C 22.833 . 1 361 567 32 THR N N 115.054 . 1 362 568 33 LEU H H 7.674 . 1 363 568 33 LEU HA H 4.006 . 1 364 568 33 LEU HB2 H 2.376 . 1 365 568 33 LEU HB3 H 1.481 . 2 366 568 33 LEU HG H 1.879 . 1 367 568 33 LEU HD1 H 0.771 . 1 368 568 33 LEU HD2 H 0.771 . 1 369 568 33 LEU C C 178.263 . 1 370 568 33 LEU CA C 58.014 . 1 371 568 33 LEU CB C 41.202 . 1 372 568 33 LEU CD1 C 26.091 . 1 373 568 33 LEU CD2 C 26.091 . 1 374 568 33 LEU N N 118.298 . 1 375 569 34 LYS H H 8.564 . 1 376 569 34 LYS HA H 3.685 . 1 377 569 34 LYS HB2 H 1.609 . 1 378 569 34 LYS HB3 H 1.820 . 2 379 569 34 LYS HG2 H 0.988 . 1 380 569 34 LYS HG3 H 1.095 . 2 381 569 34 LYS HD2 H 1.852 . 2 382 569 34 LYS HD3 H 1.852 . 2 383 569 34 LYS HE2 H 2.525 . 1 384 569 34 LYS HE3 H 2.586 . 2 385 569 34 LYS C C 178.299 . 1 386 569 34 LYS CA C 59.707 . 1 387 569 34 LYS CB C 31.758 . 1 388 569 34 LYS CG C 24.964 . 1 389 569 34 LYS CD C 24.889 . 1 390 569 34 LYS CE C 41.787 . 1 391 569 34 LYS N N 119.630 . 1 392 570 35 THR H H 7.810 . 1 393 570 35 THR HA H 3.960 . 1 394 570 35 THR HB H 4.186 . 1 395 570 35 THR HG2 H 1.314 . 1 396 570 35 THR C C 176.752 . 1 397 570 35 THR CA C 66.674 . 1 398 570 35 THR CB C 67.978 . 1 399 570 35 THR CG2 C 23.522 . 1 400 570 35 THR N N 116.903 . 1 401 571 36 ILE H H 8.224 . 1 402 571 36 ILE HA H 3.183 . 1 403 571 36 ILE HB H 1.711 . 1 404 571 36 ILE HG12 H 1.900 . 1 405 571 36 ILE HG13 H 0.390 . 2 406 571 36 ILE HG2 H 0.464 . 1 407 571 36 ILE HD1 H 0.190 . 1 408 571 36 ILE C C 177.015 . 1 409 571 36 ILE CA C 66.716 . 1 410 571 36 ILE CB C 37.545 . 1 411 571 36 ILE CG1 C 29.815 . 1 412 571 36 ILE CG2 C 17.854 . 1 413 571 36 ILE CD1 C 13.456 . 1 414 571 36 ILE N N 121.329 . 1 415 572 37 ALA H H 8.288 . 1 416 572 37 ALA HA H 3.936 . 1 417 572 37 ALA HB H 1.541 . 1 418 572 37 ALA C C 177.693 . 1 419 572 37 ALA CA C 54.148 . 1 420 572 37 ALA CB C 17.831 . 1 421 572 37 ALA N N 120.820 . 1 422 573 38 GLU H H 7.717 . 1 423 573 38 GLU HA H 4.027 . 1 424 573 38 GLU HB2 H 2.024 . 1 425 573 38 GLU HB3 H 2.186 . 2 426 573 38 GLU HG2 H 2.209 . 1 427 573 38 GLU HG3 H 2.441 . 2 428 573 38 GLU C C 178.618 . 1 429 573 38 GLU CA C 58.404 . 1 430 573 38 GLU CB C 30.103 . 1 431 573 38 GLU CG C 36.074 . 1 432 573 38 GLU N N 115.552 . 1 433 574 39 LEU H H 8.201 . 1 434 574 39 LEU HA H 4.073 . 1 435 574 39 LEU HB2 H 1.497 . 1 436 574 39 LEU HB3 H 1.565 . 2 437 574 39 LEU HD1 H 0.795 . 2 438 574 39 LEU HD2 H 0.695 . 2 439 574 39 LEU C C 177.167 . 1 440 574 39 LEU CA C 56.348 . 1 441 574 39 LEU CB C 43.574 . 1 442 574 39 LEU CD1 C 24.958 . 1 443 574 39 LEU CD2 C 24.958 . 1 444 574 39 LEU N N 119.498 . 1 445 575 40 ARG H H 8.418 . 1 446 575 40 ARG HA H 3.424 . 1 447 575 40 ARG HB2 H 1.913 . 1 448 575 40 ARG HB3 H 1.529 . 2 449 575 40 ARG HG2 H 1.919 . 1 450 575 40 ARG HG3 H 1.529 . 2 451 575 40 ARG HD2 H 3.178 . 1 452 575 40 ARG HD3 H 3.148 . 2 453 575 40 ARG CA C 56.700 . 1 454 575 40 ARG CB C 27.979 . 1 455 575 40 ARG N N 112.157 . 1 456 576 41 PRO HA H 4.262 . 1 457 576 41 PRO HB2 H 2.123 . 2 458 576 41 PRO HB3 H 1.798 . 1 459 576 41 PRO HG2 H 1.807 . 1 460 576 41 PRO HG3 H 1.731 . 2 461 576 41 PRO HD2 H 3.743 . 1 462 576 41 PRO HD3 H 3.603 . 2 463 576 41 PRO C C 176.072 . 1 464 576 41 PRO CA C 62.832 . 1 465 576 41 PRO CB C 31.712 . 1 466 577 42 GLY H H 8.520 . 1 467 577 42 GLY HA2 H 3.645 . 1 468 577 42 GLY HA3 H 4.338 . 2 469 577 42 GLY C C 173.596 . 1 470 577 42 GLY CA C 44.302 . 1 471 577 42 GLY N N 105.613 . 1 472 578 43 SER H H 7.371 . 1 473 578 43 SER HA H 4.260 . 1 474 578 43 SER HB2 H 4.317 . 2 475 578 43 SER HB3 H 4.317 . 2 476 578 43 SER CA C 55.926 . 1 477 578 43 SER CB C 66.724 . 1 478 578 43 SER N N 111.416 . 1 479 579 44 HIS HA H 3.898 . 1 480 579 44 HIS HB2 H 3.134 . 1 481 579 44 HIS HB3 H 3.265 . 2 482 579 44 HIS HD1 H 7.666 . 1 483 579 44 HIS HD2 H 6.870 . 1 484 579 44 HIS HE1 H 7.211 . 1 485 579 44 HIS C C 176.915 . 1 486 579 44 HIS CA C 61.674 . 1 487 579 44 HIS CB C 29.831 . 1 488 579 44 HIS CD2 C 117.096 . 1 489 579 44 HIS CE1 C 130.944 . 1 490 579 44 HIS ND1 N 112.337 . 1 491 580 45 ALA H H 8.614 . 1 492 580 45 ALA HA H 3.709 . 1 493 580 45 ALA HB H 1.424 . 1 494 580 45 ALA CA C 55.239 . 1 495 580 45 ALA CB C 17.936 . 1 496 580 45 ALA N N 120.561 . 1 497 581 46 THR H H 7.764 . 1 498 581 46 THR HA H 4.079 . 1 499 581 46 THR HB H 4.009 . 1 500 581 46 THR HG2 H 1.253 . 1 501 581 46 THR C C 177.943 . 1 502 581 46 THR CA C 64.843 . 1 503 581 46 THR CB C 68.572 . 1 504 581 46 THR CG2 C 22.761 . 1 505 581 46 THR N N 110.832 . 1 506 582 47 LEU H H 8.191 . 1 507 582 47 LEU HA H 3.944 . 1 508 582 47 LEU HB2 H 1.281 . 1 509 582 47 LEU HB3 H 1.907 . 2 510 582 47 LEU HG H 1.443 . 1 511 582 47 LEU HD1 H 0.757 . 2 512 582 47 LEU HD2 H 0.636 . 2 513 582 47 LEU C C 177.008 . 1 514 582 47 LEU CA C 57.984 . 1 515 582 47 LEU CB C 41.064 . 1 516 582 47 LEU CD1 C 27.037 . 1 517 582 47 LEU CD2 C 27.037 . 1 518 582 47 LEU N N 125.277 . 1 519 583 48 GLY H H 8.419 . 1 520 583 48 GLY HA2 H 3.964 . 2 521 583 48 GLY HA3 H 3.964 . 2 522 583 48 GLY C C 174.504 . 1 523 583 48 GLY CA C 46.334 . 1 524 583 48 GLY N N 101.730 . 1 525 584 49 THR H H 7.293 . 1 526 584 49 THR HA H 4.360 . 1 527 584 49 THR HB H 4.377 . 1 528 584 49 THR HG2 H 1.370 . 1 529 584 49 THR C C 174.927 . 1 530 584 49 THR CA C 62.244 . 1 531 584 49 THR CB C 69.866 . 1 532 584 49 THR CG2 C 21.169 . 1 533 584 49 THR N N 108.629 . 1 534 585 50 VAL H H 7.495 . 1 535 585 50 VAL HA H 3.729 . 1 536 585 50 VAL HB H 2.176 . 1 537 585 50 VAL HG1 H 0.948 . 2 538 585 50 VAL HG2 H 0.905 . 2 539 585 50 VAL CA C 63.091 . 1 540 585 50 VAL CB C 31.245 . 1 541 585 50 VAL CG1 C 22.502 . 1 542 585 50 VAL N N 124.933 . 1 543 586 51 SER H H 8.961 . 1 544 586 51 SER HA H 4.462 . 1 545 586 51 SER HB2 H 3.881 . 2 546 586 51 SER HB3 H 3.881 . 2 547 586 51 SER C C 175.570 . 1 548 586 51 SER CA C 60.384 . 1 549 586 51 SER CB C 62.438 . 1 550 586 51 SER N N 125.196 . 1 551 587 52 GLY H H 8.945 . 1 552 587 52 GLY HA2 H 3.869 . 1 553 587 52 GLY HA3 H 4.530 . 2 554 587 52 GLY C C 174.724 . 1 555 587 52 GLY CA C 45.097 . 1 556 587 52 GLY N N 114.565 . 1 557 588 53 VAL H H 8.126 . 1 558 588 53 VAL HA H 4.454 . 1 559 588 53 VAL HB H 2.519 . 1 560 588 53 VAL HG1 H 0.974 . 2 561 588 53 VAL HG2 H 0.605 . 2 562 588 53 VAL C C 174.941 . 1 563 588 53 VAL CA C 62.313 . 1 564 588 53 VAL CB C 29.574 . 1 565 588 53 VAL CG1 C 22.284 . 2 566 588 53 VAL CG2 C 21.377 . 2 567 588 53 VAL N N 122.386 . 1 568 589 54 GLY H H 7.730 . 1 569 589 54 GLY HA2 H 4.200 . 2 570 589 54 GLY HA3 H 4.200 . 2 571 589 54 GLY C C 174.401 . 1 572 589 54 GLY CA C 44.745 . 1 573 589 54 GLY N N 108.127 . 1 574 590 55 GLY H H 8.676 . 1 575 590 55 GLY HA2 H 3.744 . 1 576 590 55 GLY HA3 H 4.086 . 2 577 590 55 GLY C C 176.922 . 1 578 590 55 GLY CA C 47.768 . 1 579 590 55 GLY N N 106.445 . 1 580 591 56 ARG H H 8.703 . 1 581 591 56 ARG HA H 4.165 . 1 582 591 56 ARG HB2 H 1.936 . 1 583 591 56 ARG HB3 H 1.869 . 2 584 591 56 ARG HG2 H 1.738 . 1 585 591 56 ARG HG3 H 1.601 . 2 586 591 56 ARG HD2 H 3.202 . 2 587 591 56 ARG HD3 H 3.202 . 2 588 591 56 ARG HE H 3.217 . 1 589 591 56 ARG C C 179.785 . 1 590 591 56 ARG CA C 59.462 . 1 591 591 56 ARG CB C 29.708 . 1 592 591 56 ARG CG C 39.975 . 1 593 591 56 ARG CD C 40.041 . 1 594 591 56 ARG N N 123.309 . 1 595 592 57 LYS H H 8.281 . 1 596 592 57 LYS HA H 3.964 . 1 597 592 57 LYS HB2 H 1.997 . 1 598 592 57 LYS HB3 H 2.262 . 2 599 592 57 LYS HG2 H 1.449 . 2 600 592 57 LYS HG3 H 1.449 . 2 601 592 57 LYS HD2 H 1.621 . 2 602 592 57 LYS HD3 H 1.621 . 2 603 592 57 LYS HE2 H 3.153 . 1 604 592 57 LYS HE3 H 3.272 . 2 605 592 57 LYS C C 178.739 . 1 606 592 57 LYS CA C 59.643 . 1 607 592 57 LYS CB C 33.012 . 1 608 592 57 LYS CG C 27.284 . 1 609 592 57 LYS N N 119.834 . 1 610 593 58 LEU H H 8.479 . 1 611 593 58 LEU HA H 3.825 . 1 612 593 58 LEU HB2 H 1.613 . 1 613 593 58 LEU HB3 H 1.970 . 2 614 593 58 LEU HG H 0.941 . 1 615 593 58 LEU HD1 H 0.629 . 1 616 593 58 LEU HD2 H 0.629 . 1 617 593 58 LEU C C 179.579 . 1 618 593 58 LEU CA C 58.032 . 1 619 593 58 LEU CB C 42.119 . 1 620 593 58 LEU N N 121.057 . 1 621 594 59 ALA H H 7.704 . 1 622 594 59 ALA HA H 4.148 . 1 623 594 59 ALA HB H 1.460 . 1 624 594 59 ALA C C 179.542 . 1 625 594 59 ALA CA C 54.804 . 1 626 594 59 ALA CB C 18.081 . 1 627 594 59 ALA N N 120.701 . 1 628 595 60 ALA H H 7.699 . 1 629 595 60 ALA HA H 4.030 . 1 630 595 60 ALA HB H 0.634 . 1 631 595 60 ALA C C 179.834 . 1 632 595 60 ALA CA C 54.702 . 1 633 595 60 ALA CB C 17.878 . 1 634 595 60 ALA N N 118.593 . 1 635 596 61 TYR H H 8.204 . 1 636 596 61 TYR HA H 5.361 . 1 637 596 61 TYR HB2 H 2.816 . 1 638 596 61 TYR HB3 H 3.843 . 2 639 596 61 TYR HD1 H 7.031 . 1 640 596 61 TYR HD2 H 7.031 . 1 641 596 61 TYR HE1 H 6.541 . 1 642 596 61 TYR HE2 H 6.541 . 1 643 596 61 TYR C C 176.882 . 1 644 596 61 TYR CA C 56.021 . 1 645 596 61 TYR CB C 40.758 . 1 646 596 61 TYR CD1 C 132.714 . 1 647 596 61 TYR CD2 C 132.714 . 1 648 596 61 TYR CE1 C 117.892 . 1 649 596 61 TYR CE2 C 117.892 . 1 650 596 61 TYR N N 112.428 . 1 651 597 62 GLY H H 8.212 . 1 652 597 62 GLY HA2 H 3.373 . 1 653 597 62 GLY HA3 H 3.978 . 2 654 597 62 GLY C C 174.011 . 1 655 597 62 GLY CA C 48.807 . 1 656 597 62 GLY N N 108.007 . 1 657 598 63 ASP H H 8.589 . 1 658 598 63 ASP HA H 4.307 . 1 659 598 63 ASP HB2 H 2.707 . 2 660 598 63 ASP HB3 H 2.707 . 2 661 598 63 ASP C C 179.400 . 1 662 598 63 ASP CA C 58.150 . 1 663 598 63 ASP CB C 39.843 . 1 664 598 63 ASP N N 119.333 . 1 665 599 64 GLU H H 8.033 . 1 666 599 64 GLU HA H 3.949 . 1 667 599 64 GLU HB2 H 2.161 . 2 668 599 64 GLU HB3 H 2.161 . 2 669 599 64 GLU HG2 H 2.422 . 1 670 599 64 GLU HG3 H 2.650 . 2 671 599 64 GLU C C 179.061 . 1 672 599 64 GLU CA C 59.860 . 1 673 599 64 GLU CB C 29.949 . 1 674 599 64 GLU CG C 37.734 . 1 675 599 64 GLU N N 119.736 . 1 676 600 65 VAL H H 7.943 . 1 677 600 65 VAL HA H 2.611 . 1 678 600 65 VAL HB H 1.710 . 1 679 600 65 VAL HG1 H 0.454 . 2 680 600 65 VAL HG2 H 0.254 . 2 681 600 65 VAL C C 177.589 . 1 682 600 65 VAL CA C 66.557 . 1 683 600 65 VAL CB C 30.962 . 1 684 600 65 VAL CG1 C 21.678 . 2 685 600 65 VAL CG2 C 22.755 . 2 686 600 65 VAL N N 119.541 . 1 687 601 66 LEU H H 8.236 . 1 688 601 66 LEU HA H 3.648 . 1 689 601 66 LEU HB2 H 1.164 . 1 690 601 66 LEU HB3 H 1.719 . 2 691 601 66 LEU HG H 1.514 . 1 692 601 66 LEU HD1 H 0.343 . 2 693 601 66 LEU HD2 H 0.152 . 2 694 601 66 LEU C C 179.595 . 1 695 601 66 LEU CA C 57.688 . 1 696 601 66 LEU CB C 40.360 . 1 697 601 66 LEU CG C 25.918 . 1 698 601 66 LEU CD1 C 22.329 . 2 699 601 66 LEU CD2 C 24.568 . 2 700 601 66 LEU N N 117.080 . 1 701 602 67 GLN H H 7.522 . 1 702 602 67 GLN HA H 3.814 . 1 703 602 67 GLN HB2 H 2.256 . 2 704 602 67 GLN HB3 H 2.256 . 2 705 602 67 GLN HG2 H 2.307 . 2 706 602 67 GLN HG3 H 2.307 . 2 707 602 67 GLN C C 176.797 . 1 708 602 67 GLN CA C 58.616 . 1 709 602 67 GLN CB C 27.911 . 1 710 602 67 GLN N N 120.179 . 1 711 603 68 VAL H H 7.555 . 1 712 603 68 VAL HA H 3.625 . 1 713 603 68 VAL HB H 1.948 . 1 714 603 68 VAL HG1 H 0.825 . 2 715 603 68 VAL HG2 H 0.727 . 2 716 603 68 VAL C C 179.235 . 1 717 603 68 VAL CA C 66.216 . 1 718 603 68 VAL CB C 31.248 . 1 719 603 68 VAL CG1 C 22.383 . 1 720 603 68 VAL N N 120.566 . 1 721 604 69 VAL H H 7.842 . 1 722 604 69 VAL HA H 3.514 . 1 723 604 69 VAL HB H 2.109 . 1 724 604 69 VAL HG1 H 0.851 . 2 725 604 69 VAL HG2 H 0.687 . 2 726 604 69 VAL C C 179.489 . 1 727 604 69 VAL CA C 66.221 . 1 728 604 69 VAL CB C 31.501 . 1 729 604 69 VAL CG1 C 21.035 . 1 730 604 69 VAL N N 117.926 . 1 731 605 70 ARG H H 8.170 . 1 732 605 70 ARG HA H 4.269 . 1 733 605 70 ARG HB2 H 2.101 . 1 734 605 70 ARG HB3 H 1.430 . 2 735 605 70 ARG HG2 H 1.997 . 1 736 605 70 ARG HD2 H 3.168 . 2 737 605 70 ARG HD3 H 3.168 . 2 738 605 70 ARG C C 179.042 . 1 739 605 70 ARG CA C 60.040 . 1 740 605 70 ARG CB C 30.911 . 1 741 605 70 ARG N N 121.237 . 1 742 606 71 ASP H H 8.507 . 1 743 606 71 ASP HA H 4.521 . 1 744 606 71 ASP HB2 H 2.739 . 2 745 606 71 ASP HB3 H 2.739 . 2 746 606 71 ASP C C 177.957 . 1 747 606 71 ASP CA C 56.210 . 1 748 606 71 ASP CB C 40.419 . 1 749 606 71 ASP N N 119.059 . 1 750 607 72 SER H H 7.738 . 1 751 607 72 SER HA H 4.525 . 1 752 607 72 SER HB2 H 3.926 . 2 753 607 72 SER HB3 H 3.926 . 2 754 607 72 SER C C 174.969 . 1 755 607 72 SER CA C 59.329 . 1 756 607 72 SER CB C 64.121 . 1 757 607 72 SER N N 114.635 . 1 758 608 73 SER H H 7.928 . 1 759 608 73 SER HA H 4.511 . 1 760 608 73 SER HB2 H 3.967 . 2 761 608 73 SER HB3 H 3.967 . 2 762 608 73 SER C C 174.899 . 1 763 608 73 SER CA C 59.111 . 1 764 608 73 SER CB C 64.052 . 1 765 608 73 SER N N 116.611 . 1 766 609 74 GLY H H 8.350 . 1 767 609 74 GLY HA2 H 4.006 . 1 768 609 74 GLY HA3 H 4.830 . 2 769 609 74 GLY C C 173.762 . 1 770 609 74 GLY CA C 45.319 . 1 771 609 74 GLY N N 110.832 . 1 772 610 75 GLY H H 8.037 . 1 773 610 75 GLY HA2 H 3.768 . 2 774 610 75 GLY HA3 H 3.768 . 2 775 610 75 GLY CA C 45.895 . 1 776 610 75 GLY N N 115.224 . 1 stop_ save_