data_11038 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The DNA binding domain of RTBP1 ; _BMRB_accession_number 11038 _BMRB_flat_file_name bmr11038.str _Entry_type original _Submission_date 2008-03-22 _Accession_date 2008-03-23 _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 Lee Weontae . . 2 Ko Sunggeon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 550 "13C chemical shifts" 409 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-04-29 original author . stop_ _Original_release_date 2009-04-29 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the DNA binding domain of rice telomere binding protein RTBP1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19152316 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ko Sunggeon . . 2 Yu 'Eun Young' . . 3 Shin Joon . . 4 Yoo 'Hyun Hee' . . 5 Tanaka Toshiyuki . . 6 Kim 'Woo Taek' . . 7 Cho Hyun-Soo . . 8 Lee Weontae . . 9 Chung 'In Kwon' . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 48 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 827 _Page_last 838 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'The DNA binding domain of RTBP1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'The DNA binding domain of RTBP1' $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 'The DNA binding domain of RTBP1' _Molecular_mass 13862.927 _Mol_thiol_state 'not present' loop_ _Biological_function 'DNA binding; plant telomere binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSPFADPNSLALANVPLSRS KRPDFGQRRIRRPFTVAEVE LLVEAVEHLGTGRWRDVKFR AFENVHHRTYVDLKDKWKTL VHTASIAPQQRRGAPVPQEL LDRVLAAQAYWSVDSSGRIV TL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 506 PRO 4 507 PHE 5 508 ALA 6 509 ASP 7 510 PRO 8 511 ASN 9 512 SER 10 513 LEU 11 514 ALA 12 515 LEU 13 516 ALA 14 517 ASN 15 518 VAL 16 519 PRO 17 520 LEU 18 521 SER 19 522 ARG 20 523 SER 21 524 LYS 22 525 ARG 23 526 PRO 24 527 ASP 25 528 PHE 26 529 GLY 27 530 GLN 28 531 ARG 29 532 ARG 30 533 ILE 31 534 ARG 32 535 ARG 33 536 PRO 34 537 PHE 35 538 THR 36 539 VAL 37 540 ALA 38 541 GLU 39 542 VAL 40 543 GLU 41 544 LEU 42 545 LEU 43 546 VAL 44 547 GLU 45 548 ALA 46 549 VAL 47 550 GLU 48 551 HIS 49 552 LEU 50 553 GLY 51 554 THR 52 555 GLY 53 556 ARG 54 557 TRP 55 558 ARG 56 559 ASP 57 560 VAL 58 561 LYS 59 562 PHE 60 563 ARG 61 564 ALA 62 565 PHE 63 566 GLU 64 567 ASN 65 568 VAL 66 569 HIS 67 570 HIS 68 571 ARG 69 572 THR 70 573 TYR 71 574 VAL 72 575 ASP 73 576 LEU 74 577 LYS 75 578 ASP 76 579 LYS 77 580 TRP 78 581 LYS 79 582 THR 80 583 LEU 81 584 VAL 82 585 HIS 83 586 THR 84 587 ALA 85 588 SER 86 589 ILE 87 590 ALA 88 591 PRO 89 592 GLN 90 593 GLN 91 594 ARG 92 595 ARG 93 596 GLY 94 597 ALA 95 598 PRO 96 599 VAL 97 600 PRO 98 601 GLN 99 602 GLU 100 603 LEU 101 604 LEU 102 605 ASP 103 606 ARG 104 607 VAL 105 608 LEU 106 609 ALA 107 610 ALA 108 611 GLN 109 612 ALA 110 613 TYR 111 614 TRP 112 615 SER 113 1 VAL 114 2 ASP 115 3 SER 116 4 SER 117 5 GLY 118 6 ARG 119 7 ILE 120 8 VAL 121 9 THR 122 10 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2ROH "The Dna Binding Domain Of Rtbp1" 100.00 122 100.00 100.00 4.84e-82 GB AAF97508 "telomere binding protein-1 [Oryza sativa]" 90.16 633 100.00 100.00 2.20e-70 GB EAY88030 "hypothetical protein OsI_09453 [Oryza sativa Indica Group]" 90.16 633 99.09 99.09 6.50e-69 GB EAZ25089 "hypothetical protein OsJ_08881 [Oryza sativa Japonica Group]" 87.70 638 99.07 100.00 8.86e-67 SP Q9LL45 "RecName: Full=Telomere-binding protein 1; AltName: Full=Protein RTBP1" 90.16 633 100.00 100.00 2.04e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Oryza sativa' 4530 Eukaryota Viridiplantae Oryza sativa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $entity_1 'recombinant technology' . Escherichia coli 'BL21 DE3' 'PGEX 4T-1' 'PGEX 4T-1 contained TEV cleavage site for remove GST tags' 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 $entity_1 1 mM '[U-99% 15N]' 'Potassium phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C]' 'Potassium phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 1 mM 'natural abundance' D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'Potassium phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'cryo-probe system installed' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details 'cryo-probe system installed' 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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _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 '50mM KH2PO4, 100mM NaCl, 1mM NaN3, pH7.0' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.0 . pH pressure 1 . Pa temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNHA' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'The DNA binding domain of RTBP1' _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 -2 1 GLY N N 104.270 0.400 1 2 -2 1 GLY H H 8.338 0.020 1 3 -1 2 SER N N 104.283 0.400 1 4 -1 2 SER H H 8.239 0.020 1 5 506 3 PRO CA C 61.307 0.400 1 6 506 3 PRO CB C 29.729 0.400 1 7 506 3 PRO C C 176.523 0.400 1 8 507 4 PHE N N 119.117 0.400 1 9 507 4 PHE H H 7.957 0.020 1 10 507 4 PHE CA C 55.131 0.400 1 11 507 4 PHE HA H 4.528 0.020 1 12 507 4 PHE CB C 37.248 0.400 1 13 507 4 PHE HB2 H 3.089 0.020 2 14 507 4 PHE HB3 H 2.892 0.020 2 15 507 4 PHE C C 175.200 0.400 1 16 508 5 ALA N N 125.310 0.400 1 17 508 5 ALA H H 7.900 0.020 1 18 508 5 ALA CA C 49.941 0.400 1 19 508 5 ALA HA H 4.203 0.020 1 20 508 5 ALA HB H 1.243 0.020 1 21 508 5 ALA CB C 17.396 0.400 1 22 508 5 ALA C C 176.560 0.400 1 23 509 6 ASP N N 121.205 0.400 1 24 509 6 ASP H H 8.123 0.020 1 25 509 6 ASP CA C 49.812 0.400 1 26 509 6 ASP HA H 4.734 0.020 1 27 509 6 ASP CB C 39.348 0.400 1 28 509 6 ASP HB2 H 2.701 0.020 2 29 509 6 ASP HB3 H 2.522 0.020 2 30 510 7 PRO CA C 61.813 0.400 1 31 510 7 PRO CB C 29.986 0.400 1 32 510 7 PRO C C 177.532 0.400 1 33 511 8 ASN N N 116.900 0.400 1 34 511 8 ASN H H 8.468 0.020 1 35 511 8 ASN CA C 51.749 0.400 1 36 511 8 ASN HA H 4.625 0.020 1 37 511 8 ASN CB C 36.632 0.400 1 38 511 8 ASN HB2 H 2.786 0.020 2 39 511 8 ASN HB3 H 2.735 0.020 2 40 511 8 ASN C C 175.810 0.400 1 41 512 9 SER N N 115.437 0.400 1 42 512 9 SER H H 7.895 0.020 1 43 512 9 SER CA C 57.027 0.400 1 44 512 9 SER HA H 4.337 0.020 1 45 512 9 SER CB C 61.466 0.400 1 46 512 9 SER HB2 H 3.866 0.020 2 47 512 9 SER HB3 H 3.866 0.020 2 48 512 9 SER C C 174.759 0.400 1 49 513 10 LEU N N 123.539 0.400 1 50 513 10 LEU H H 7.958 0.020 1 51 513 10 LEU CA C 53.504 0.400 1 52 513 10 LEU CB C 39.897 0.400 1 53 513 10 LEU C C 177.488 0.400 1 54 514 11 ALA N N 123.435 0.400 1 55 514 11 ALA H H 7.967 0.020 1 56 514 11 ALA CA C 50.716 0.400 1 57 514 11 ALA HA H 4.222 0.020 1 58 514 11 ALA HB H 1.308 0.020 1 59 514 11 ALA CB C 16.732 0.400 1 60 514 11 ALA C C 178.016 0.400 1 61 515 12 LEU N N 120.015 0.400 1 62 515 12 LEU H H 7.851 0.020 1 63 515 12 LEU CA C 53.119 0.400 1 64 515 12 LEU CB C 40.183 0.400 1 65 515 12 LEU C C 177.311 0.400 1 66 516 13 ALA N N 123.335 0.400 1 67 516 13 ALA H H 7.946 0.020 1 68 516 13 ALA CA C 50.587 0.400 1 69 516 13 ALA HA H 4.223 0.020 1 70 516 13 ALA HB H 1.310 0.020 1 71 516 13 ALA CB C 17.052 0.400 1 72 516 13 ALA C C 177.506 0.400 1 73 517 14 ASN N N 117.041 0.400 1 74 517 14 ASN H H 8.191 0.020 1 75 517 14 ASN CA C 50.880 0.400 1 76 517 14 ASN HA H 4.612 0.020 1 77 517 14 ASN CB C 36.771 0.400 1 78 517 14 ASN HB2 H 2.745 0.020 2 79 517 14 ASN HB3 H 2.649 0.020 2 80 517 14 ASN C C 174.715 0.400 1 81 518 15 VAL N N 121.323 0.400 1 82 518 15 VAL H H 7.822 0.020 1 83 518 15 VAL CA C 57.821 0.400 1 84 518 15 VAL HA H 4.333 0.020 1 85 518 15 VAL CB C 30.458 0.400 1 86 518 15 VAL HB H 2.011 0.020 1 87 518 15 VAL HG1 H 0.856 0.020 2 88 518 15 VAL CG1 C 18.324 0.400 1 89 519 16 PRO CA C 60.807 0.400 1 90 519 16 PRO CB C 29.888 0.400 1 91 519 16 PRO C C 176.795 0.400 1 92 520 17 LEU N N 122.418 0.400 1 93 520 17 LEU H H 8.236 0.020 1 94 520 17 LEU CA C 53.030 0.400 1 95 520 17 LEU HA H 4.240 0.020 1 96 520 17 LEU CB C 40.257 0.400 1 97 520 17 LEU HB2 H 1.579 0.020 2 98 520 17 LEU HB3 H 1.522 0.020 2 99 520 17 LEU HD1 H 0.852 0.020 2 100 520 17 LEU HD2 H 0.794 0.020 2 101 520 17 LEU C C 177.438 0.400 1 102 521 18 SER N N 116.916 0.400 1 103 521 18 SER H H 8.187 0.020 1 104 521 18 SER CA C 55.830 0.400 1 105 521 18 SER HA H 4.392 0.020 1 106 521 18 SER CB C 61.728 0.400 1 107 521 18 SER HB2 H 3.787 0.020 2 108 521 18 SER HB3 H 3.787 0.020 2 109 521 18 SER C C 173.513 0.400 1 110 522 19 ARG N N 128.110 0.400 1 111 522 19 ARG H H 7.903 0.020 1 112 522 19 ARG CA C 55.323 0.400 1 113 522 19 ARG HA H 4.124 0.020 1 114 522 19 ARG CB C 29.381 0.400 1 115 522 19 ARG HB2 H 1.776 0.020 2 116 522 19 ARG HB3 H 1.642 0.020 2 117 522 19 ARG HG2 H 1.513 0.020 2 118 522 19 ARG HG3 H 1.513 0.020 2 119 522 19 ARG HD2 H 3.111 0.020 2 120 522 19 ARG HD3 H 3.111 0.020 2 121 524 21 LYS H H 8.423 0.020 1 122 524 21 LYS CA C 54.278 0.400 1 123 524 21 LYS CB C 31.044 0.400 1 124 524 21 LYS C C 176.369 0.400 1 125 525 22 ARG N N 123.933 0.400 1 126 525 22 ARG H H 8.421 0.020 1 127 525 22 ARG CA C 51.872 0.400 1 128 525 22 ARG CB C 28.012 0.400 1 129 526 23 PRO CA C 61.034 0.400 1 130 526 23 PRO CB C 29.755 0.400 1 131 526 23 PRO C C 176.246 0.400 1 132 527 24 ASP N N 119.793 0.400 1 133 527 24 ASP H H 8.228 0.020 1 134 527 24 ASP CA C 51.719 0.400 1 135 527 24 ASP HA H 4.458 0.020 1 136 527 24 ASP CB C 38.992 0.400 1 137 527 24 ASP HB2 H 2.523 0.020 2 138 527 24 ASP HB3 H 2.523 0.020 2 139 527 24 ASP C C 176.178 0.400 1 140 528 25 PHE N N 120.859 0.400 1 141 528 25 PHE H H 8.094 0.020 1 142 528 25 PHE CA C 55.985 0.400 1 143 528 25 PHE HA H 4.485 0.020 1 144 528 25 PHE CB C 37.080 0.400 1 145 528 25 PHE HB2 H 3.117 0.020 2 146 528 25 PHE HB3 H 2.965 0.020 2 147 528 25 PHE HD1 H 7.172 0.020 1 148 528 25 PHE HD2 H 6.955 0.020 1 149 528 25 PHE C C 176.570 0.400 1 150 529 26 GLY N N 109.958 0.400 1 151 529 26 GLY H H 8.373 0.020 1 152 529 26 GLY CA C 43.370 0.400 1 153 529 26 GLY HA2 H 3.838 0.020 2 154 529 26 GLY HA3 H 3.786 0.020 2 155 529 26 GLY C C 174.316 0.400 1 156 530 27 GLN N N 119.727 0.400 1 157 530 27 GLN H H 8.089 0.020 1 158 530 27 GLN CA C 53.775 0.400 1 159 530 27 GLN HA H 4.230 0.020 1 160 530 27 GLN CB C 27.242 0.400 1 161 530 27 GLN HB2 H 2.031 0.020 2 162 530 27 GLN HB3 H 1.896 0.020 2 163 530 27 GLN CG C 31.668 0.400 1 164 530 27 GLN HG2 H 2.265 0.020 2 165 530 27 GLN HG3 H 2.265 0.020 2 166 530 27 GLN C C 176.178 0.400 1 167 531 28 ARG N N 121.926 0.400 1 168 531 28 ARG H H 8.255 0.020 1 169 531 28 ARG CA C 54.264 0.400 1 170 531 28 ARG HA H 4.211 0.020 1 171 531 28 ARG CB C 28.586 0.400 1 172 531 28 ARG HB2 H 1.748 0.020 2 173 531 28 ARG HB3 H 1.676 0.020 2 174 531 28 ARG HG2 H 1.546 0.020 2 175 531 28 ARG HG3 H 1.546 0.020 2 176 531 28 ARG C C 176.137 0.400 1 177 532 29 ARG N N 122.604 0.400 1 178 532 29 ARG H H 8.295 0.020 1 179 532 29 ARG CA C 53.821 0.400 1 180 532 29 ARG HA H 4.239 0.020 1 181 532 29 ARG CB C 28.625 0.400 1 182 532 29 ARG HB2 H 1.732 0.020 2 183 532 29 ARG HB3 H 1.674 0.020 2 184 532 29 ARG HG2 H 1.515 0.020 2 185 532 29 ARG HG3 H 1.515 0.020 2 186 532 29 ARG C C 175.973 0.400 1 187 533 30 ILE N N 122.682 0.400 1 188 533 30 ILE H H 8.155 0.020 1 189 533 30 ILE CA C 58.900 0.400 1 190 533 30 ILE HA H 4.143 0.020 1 191 533 30 ILE CB C 36.383 0.400 1 192 533 30 ILE HB H 1.772 0.020 1 193 533 30 ILE HG2 H 0.806 0.020 1 194 533 30 ILE CG2 C 15.329 0.400 1 195 533 30 ILE CG1 C 25.160 0.400 1 196 533 30 ILE HG12 H 1.423 0.020 2 197 533 30 ILE HG13 H 1.110 0.020 2 198 533 30 ILE HD1 H 0.779 0.020 1 199 533 30 ILE CD1 C 10.532 0.400 1 200 533 30 ILE C C 176.013 0.400 1 201 534 31 ARG N N 126.499 0.400 1 202 534 31 ARG H H 8.418 0.020 1 203 534 31 ARG CA C 53.542 0.400 1 204 534 31 ARG HA H 4.303 0.020 1 205 534 31 ARG CB C 28.651 0.400 1 206 534 31 ARG HB2 H 1.716 0.020 2 207 534 31 ARG HB3 H 1.640 0.020 2 208 534 31 ARG HG2 H 1.529 0.020 2 209 534 31 ARG HG3 H 1.529 0.020 2 210 534 31 ARG C C 175.967 0.400 1 211 535 32 ARG N N 124.397 0.400 1 212 535 32 ARG H H 8.750 0.020 1 213 535 32 ARG CA C 51.591 0.400 1 214 535 32 ARG HA H 4.572 0.020 1 215 535 32 ARG CB C 28.016 0.400 1 216 535 32 ARG HB2 H 1.658 0.020 2 217 535 32 ARG HB3 H 1.519 0.020 2 218 535 32 ARG HG2 H 1.442 0.020 2 219 535 32 ARG HG3 H 1.442 0.020 2 220 536 33 PRO CA C 61.059 0.400 1 221 536 33 PRO HA H 4.545 0.020 1 222 536 33 PRO CB C 30.044 0.400 1 223 536 33 PRO HB2 H 2.327 0.020 2 224 536 33 PRO HB3 H 1.805 0.020 2 225 536 33 PRO CG C 25.138 0.400 1 226 536 33 PRO HG2 H 1.970 0.020 2 227 536 33 PRO HG3 H 1.970 0.020 2 228 536 33 PRO HD2 H 3.793 0.020 2 229 536 33 PRO HD3 H 3.594 0.020 2 230 536 33 PRO C C 177.175 0.400 1 231 537 34 PHE N N 124.330 0.400 1 232 537 34 PHE H H 9.274 0.020 1 233 537 34 PHE CA C 55.616 0.400 1 234 537 34 PHE HA H 4.672 0.020 1 235 537 34 PHE CB C 37.691 0.400 1 236 537 34 PHE HB2 H 2.908 0.020 2 237 537 34 PHE HB3 H 2.908 0.020 2 238 537 34 PHE HD1 H 7.232 0.020 1 239 537 34 PHE HD2 H 7.029 0.020 1 240 537 34 PHE C C 178.214 0.400 1 241 538 35 THR N N 115.985 0.400 1 242 538 35 THR H H 9.054 0.020 1 243 538 35 THR CA C 58.247 0.400 1 244 538 35 THR HA H 4.554 0.020 1 245 538 35 THR CB C 68.760 0.400 1 246 538 35 THR HB H 4.748 0.020 1 247 538 35 THR HG2 H 1.318 0.020 1 248 538 35 THR C C 176.007 0.400 1 249 539 36 VAL N N 121.859 0.400 1 250 539 36 VAL H H 8.834 0.020 1 251 539 36 VAL CA C 65.306 0.400 1 252 539 36 VAL HA H 3.620 0.020 1 253 539 36 VAL CB C 29.165 0.400 1 254 539 36 VAL HB H 2.067 0.020 1 255 539 36 VAL HG1 H 1.099 0.020 2 256 539 36 VAL HG2 H 0.942 0.020 2 257 539 36 VAL CG1 C 21.425 0.400 1 258 539 36 VAL CG2 C 19.461 0.400 1 259 539 36 VAL C C 177.841 0.400 1 260 540 37 ALA N N 121.732 0.400 1 261 540 37 ALA H H 8.153 0.020 1 262 540 37 ALA CA C 52.954 0.400 1 263 540 37 ALA HA H 4.222 0.020 1 264 540 37 ALA HB H 1.392 0.020 1 265 540 37 ALA CB C 16.038 0.400 1 266 540 37 ALA C C 181.234 0.400 1 267 541 38 GLU N N 117.726 0.400 1 268 541 38 GLU H H 7.864 0.020 1 269 541 38 GLU CA C 57.887 0.400 1 270 541 38 GLU HA H 4.104 0.020 1 271 541 38 GLU CB C 30.468 0.400 1 272 541 38 GLU HB2 H 2.666 0.020 2 273 541 38 GLU HB3 H 2.139 0.020 2 274 541 38 GLU CG C 37.030 0.400 1 275 541 38 GLU HG2 H 2.678 0.020 2 276 541 38 GLU HG3 H 2.132 0.020 2 277 541 38 GLU C C 179.284 0.400 1 278 542 39 VAL N N 120.823 0.400 1 279 542 39 VAL H H 8.485 0.020 1 280 542 39 VAL CA C 65.927 0.400 1 281 542 39 VAL HA H 3.622 0.020 1 282 542 39 VAL CB C 28.704 0.400 1 283 542 39 VAL HB H 2.455 0.020 1 284 542 39 VAL HG1 H 1.062 0.020 2 285 542 39 VAL HG2 H 0.889 0.020 2 286 542 39 VAL CG1 C 21.823 0.400 1 287 542 39 VAL CG2 C 21.060 0.400 1 288 542 39 VAL C C 177.650 0.400 1 289 543 40 GLU N N 119.922 0.400 1 290 543 40 GLU H H 8.563 0.020 1 291 543 40 GLU CA C 58.718 0.400 1 292 543 40 GLU HA H 3.795 0.020 1 293 543 40 GLU CB C 26.932 0.400 1 294 543 40 GLU HB2 H 2.195 0.020 2 295 543 40 GLU HB3 H 2.105 0.020 2 296 543 40 GLU CG C 34.700 0.400 1 297 543 40 GLU HG2 H 2.309 0.020 2 298 543 40 GLU HG3 H 2.250 0.020 2 299 543 40 GLU C C 178.513 0.400 1 300 544 41 LEU N N 118.380 0.400 1 301 544 41 LEU H H 7.754 0.020 1 302 544 41 LEU CA C 55.763 0.400 1 303 544 41 LEU HA H 4.030 0.020 1 304 544 41 LEU CB C 40.556 0.400 1 305 544 41 LEU HB2 H 1.984 0.020 2 306 544 41 LEU HB3 H 1.081 0.020 2 307 544 41 LEU CG C 24.427 0.400 1 308 544 41 LEU HG H 1.745 0.020 1 309 544 41 LEU HD1 H 0.645 0.020 2 310 544 41 LEU HD2 H 0.726 0.020 2 311 544 41 LEU CD1 C 22.972 0.400 1 312 544 41 LEU CD2 C 20.608 0.400 1 313 544 41 LEU C C 180.074 0.400 1 314 545 42 LEU N N 120.755 0.400 1 315 545 42 LEU H H 8.342 0.020 1 316 545 42 LEU CA C 56.569 0.400 1 317 545 42 LEU HA H 4.204 0.020 1 318 545 42 LEU CB C 40.809 0.400 1 319 545 42 LEU HB2 H 2.599 0.020 2 320 545 42 LEU HB3 H 1.785 0.020 2 321 545 42 LEU CG C 25.542 0.400 1 322 545 42 LEU HG H 1.918 0.020 1 323 545 42 LEU HD1 H 1.004 0.020 2 324 545 42 LEU HD2 H 1.234 0.020 2 325 545 42 LEU CD1 C 24.848 0.400 1 326 545 42 LEU CD2 C 23.018 0.400 1 327 545 42 LEU C C 177.150 0.400 1 328 546 43 VAL N N 118.383 0.400 1 329 546 43 VAL H H 8.928 0.020 1 330 546 43 VAL CA C 65.372 0.400 1 331 546 43 VAL HA H 3.760 0.020 1 332 546 43 VAL CB C 29.644 0.400 1 333 546 43 VAL HB H 2.136 0.020 1 334 546 43 VAL HG1 H 1.142 0.020 2 335 546 43 VAL HG2 H 0.925 0.020 2 336 546 43 VAL CG1 C 22.081 0.400 1 337 546 43 VAL CG2 C 19.482 0.400 1 338 546 43 VAL C C 177.154 0.400 1 339 547 44 GLU N N 119.597 0.400 1 340 547 44 GLU H H 8.399 0.020 1 341 547 44 GLU CA C 57.464 0.400 1 342 547 44 GLU HA H 4.289 0.020 1 343 547 44 GLU CB C 27.053 0.400 1 344 547 44 GLU HB2 H 2.044 0.020 2 345 547 44 GLU HB3 H 2.116 0.020 2 346 547 44 GLU CG C 34.283 0.400 1 347 547 44 GLU HG2 H 2.480 0.020 2 348 547 44 GLU HG3 H 2.249 0.020 2 349 547 44 GLU C C 179.311 0.400 1 350 548 45 ALA N N 120.043 0.400 1 351 548 45 ALA H H 7.872 0.020 1 352 548 45 ALA CA C 53.342 0.400 1 353 548 45 ALA HA H 3.974 0.020 1 354 548 45 ALA HB H 1.615 0.020 1 355 548 45 ALA CB C 17.717 0.400 1 356 548 45 ALA C C 179.485 0.400 1 357 549 46 VAL N N 120.745 0.400 1 358 549 46 VAL H H 8.333 0.020 1 359 549 46 VAL CA C 63.358 0.400 1 360 549 46 VAL HA H 3.091 0.020 1 361 549 46 VAL CB C 28.887 0.400 1 362 549 46 VAL HB H 1.447 0.020 1 363 549 46 VAL HG1 H 0.123 0.020 2 364 549 46 VAL HG2 H -0.450 0.020 2 365 549 46 VAL CG1 C 21.278 0.400 1 366 549 46 VAL CG2 C 18.775 0.400 1 367 549 46 VAL C C 179.524 0.400 1 368 550 47 GLU N N 120.370 0.400 1 369 550 47 GLU H H 9.050 0.020 1 370 550 47 GLU CA C 58.538 0.400 1 371 550 47 GLU HA H 3.835 0.020 1 372 550 47 GLU CB C 27.217 0.400 1 373 550 47 GLU HB2 H 2.609 0.020 2 374 550 47 GLU HB3 H 1.746 0.020 2 375 550 47 GLU CG C 35.484 0.400 1 376 550 47 GLU HG2 H 2.611 0.020 2 377 550 47 GLU HG3 H 2.247 0.020 2 378 550 47 GLU C C 179.074 0.400 1 379 551 48 HIS N N 113.333 0.400 1 380 551 48 HIS H H 7.533 0.020 1 381 551 48 HIS CA C 57.315 0.400 1 382 551 48 HIS HA H 4.466 0.020 1 383 551 48 HIS CB C 28.312 0.400 1 384 551 48 HIS HB2 H 3.115 0.020 2 385 551 48 HIS HB3 H 3.072 0.020 2 386 551 48 HIS C C 176.362 0.400 1 387 552 49 LEU N N 116.683 0.400 1 388 552 49 LEU H H 8.443 0.020 1 389 552 49 LEU CA C 53.163 0.400 1 390 552 49 LEU HA H 4.028 0.020 1 391 552 49 LEU CB C 42.291 0.400 1 392 552 49 LEU HB2 H 1.431 0.020 2 393 552 49 LEU HB3 H 0.847 0.020 2 394 552 49 LEU CG C 24.833 0.400 1 395 552 49 LEU HG H 1.527 0.020 1 396 552 49 LEU HD1 H 0.616 0.020 2 397 552 49 LEU HD2 H 0.733 0.020 2 398 552 49 LEU CD1 C 24.174 0.400 1 399 552 49 LEU CD2 C 20.441 0.400 1 400 552 49 LEU C C 176.887 0.400 1 401 553 50 GLY N N 111.056 0.400 1 402 553 50 GLY H H 8.245 0.020 1 403 553 50 GLY CA C 39.078 0.400 1 404 553 50 GLY HA2 H 2.296 0.020 2 405 553 50 GLY HA3 H 1.307 0.020 2 406 553 50 GLY C C 173.362 0.400 1 407 554 51 THR N N 103.108 0.400 1 408 554 51 THR H H 6.297 0.020 1 409 554 51 THR CA C 58.511 0.400 1 410 554 51 THR HA H 4.556 0.020 1 411 554 51 THR CB C 66.586 0.400 1 412 554 51 THR HB H 4.751 0.020 1 413 554 51 THR HG2 H 1.312 0.020 1 414 554 51 THR C C 173.936 0.400 1 415 555 52 GLY N N 108.728 0.400 1 416 555 52 GLY H H 7.600 0.020 1 417 555 52 GLY CA C 43.151 0.400 1 418 555 52 GLY HA2 H 4.329 0.020 2 419 555 52 GLY HA3 H 3.444 0.020 2 420 555 52 GLY C C 175.032 0.400 1 421 556 53 ARG N N 123.398 0.400 1 422 556 53 ARG H H 7.949 0.020 1 423 556 53 ARG CA C 51.731 0.400 1 424 556 53 ARG HA H 4.550 0.020 1 425 556 53 ARG CB C 28.749 0.400 1 426 556 53 ARG HB2 H 1.915 0.020 2 427 556 53 ARG HB3 H 0.870 0.020 2 428 556 53 ARG HG2 H 1.366 0.020 2 429 556 53 ARG HG3 H 1.158 0.020 2 430 556 53 ARG HD2 H 2.959 0.020 2 431 556 53 ARG HD3 H 2.959 0.020 2 432 556 53 ARG C C 176.580 0.400 1 433 557 54 TRP N N 121.010 0.400 1 434 557 54 TRP H H 7.211 0.020 1 435 557 54 TRP CA C 57.985 0.400 1 436 557 54 TRP HA H 3.984 0.020 1 437 557 54 TRP CB C 27.002 0.400 1 438 557 54 TRP HB2 H 3.615 0.020 2 439 557 54 TRP HB3 H 2.980 0.020 2 440 557 54 TRP NE1 N 119.865 0.400 1 441 557 54 TRP HD1 H 7.469 0.020 1 442 557 54 TRP HE1 H 10.151 0.020 1 443 557 54 TRP HZ2 H 7.261 0.020 1 444 557 54 TRP C C 178.653 0.400 1 445 558 55 ARG N N 118.903 0.400 1 446 558 55 ARG H H 8.642 0.020 1 447 558 55 ARG CA C 58.009 0.400 1 448 558 55 ARG HA H 3.834 0.020 1 449 558 55 ARG CB C 27.083 0.400 1 450 558 55 ARG HB2 H 1.552 0.020 2 451 558 55 ARG HB3 H 1.458 0.020 2 452 558 55 ARG CG C 26.105 0.400 1 453 558 55 ARG HG2 H 1.160 0.020 2 454 558 55 ARG HG3 H 0.951 0.020 2 455 558 55 ARG HD2 H 2.846 0.020 2 456 558 55 ARG HD3 H 2.846 0.020 2 457 558 55 ARG C C 178.587 0.400 1 458 559 56 ASP N N 120.103 0.400 1 459 559 56 ASP H H 7.398 0.020 1 460 559 56 ASP CA C 55.034 0.400 1 461 559 56 ASP HA H 4.519 0.020 1 462 559 56 ASP CB C 38.119 0.400 1 463 559 56 ASP HB2 H 2.687 0.020 2 464 559 56 ASP HB3 H 2.600 0.020 2 465 559 56 ASP C C 179.005 0.400 1 466 560 57 VAL N N 123.671 0.400 1 467 560 57 VAL H H 8.048 0.020 1 468 560 57 VAL CA C 64.949 0.400 1 469 560 57 VAL HA H 3.317 0.020 1 470 560 57 VAL CB C 29.517 0.400 1 471 560 57 VAL HB H 2.277 0.020 1 472 560 57 VAL HG1 H 0.502 0.020 2 473 560 57 VAL HG2 H 1.055 0.020 2 474 560 57 VAL CG1 C 21.115 0.400 1 475 560 57 VAL CG2 C 19.401 0.400 1 476 560 57 VAL C C 177.244 0.400 1 477 561 58 LYS N N 120.102 0.400 1 478 561 58 LYS H H 8.042 0.020 1 479 561 58 LYS CA C 58.001 0.400 1 480 561 58 LYS HA H 3.954 0.020 1 481 561 58 LYS CB C 29.532 0.400 1 482 561 58 LYS HB2 H 2.338 0.020 2 483 561 58 LYS HB3 H 1.739 0.020 2 484 561 58 LYS C C 177.877 0.400 1 485 562 59 PHE N N 117.760 0.400 1 486 562 59 PHE H H 7.867 0.020 1 487 562 59 PHE CA C 58.769 0.400 1 488 562 59 PHE HA H 4.233 0.020 1 489 562 59 PHE CB C 36.972 0.400 1 490 562 59 PHE HB2 H 3.127 0.020 2 491 562 59 PHE HB3 H 3.127 0.020 2 492 562 59 PHE HD1 H 7.244 0.020 1 493 562 59 PHE HD2 H 7.244 0.020 1 494 562 59 PHE C C 176.395 0.400 1 495 563 60 ARG N N 116.718 0.400 1 496 563 60 ARG H H 8.132 0.020 1 497 563 60 ARG CA C 56.466 0.400 1 498 563 60 ARG HA H 3.913 0.020 1 499 563 60 ARG CB C 28.502 0.400 1 500 563 60 ARG HB2 H 1.873 0.020 2 501 563 60 ARG HB3 H 1.640 0.020 2 502 563 60 ARG HG2 H 1.408 0.020 2 503 563 60 ARG HG3 H 1.408 0.020 2 504 563 60 ARG C C 177.595 0.400 1 505 564 61 ALA N N 116.399 0.400 1 506 564 61 ALA H H 7.729 0.020 1 507 564 61 ALA CA C 50.289 0.400 1 508 564 61 ALA HA H 4.479 0.020 1 509 564 61 ALA HB H 1.121 0.020 1 510 564 61 ALA CB C 20.941 0.400 1 511 564 61 ALA C C 176.473 0.400 1 512 565 62 PHE N N 115.594 0.400 1 513 565 62 PHE H H 8.200 0.020 1 514 565 62 PHE CA C 54.013 0.400 1 515 565 62 PHE HA H 4.749 0.020 1 516 565 62 PHE CB C 39.281 0.400 1 517 565 62 PHE HB2 H 3.477 0.020 2 518 565 62 PHE HB3 H 3.477 0.020 2 519 565 62 PHE HD1 H 7.076 0.020 1 520 565 62 PHE HD2 H 7.076 0.020 1 521 565 62 PHE C C 177.086 0.400 1 522 566 63 GLU N N 126.419 0.400 1 523 566 63 GLU H H 8.279 0.020 1 524 566 63 GLU CA C 58.421 0.400 1 525 566 63 GLU HA H 3.754 0.020 1 526 566 63 GLU CB C 27.024 0.400 1 527 566 63 GLU HB2 H 2.343 0.020 2 528 566 63 GLU HB3 H 1.680 0.020 2 529 566 63 GLU CG C 33.090 0.400 1 530 566 63 GLU HG2 H 2.129 0.020 2 531 566 63 GLU HG3 H 2.067 0.020 2 532 566 63 GLU C C 177.407 0.400 1 533 567 64 ASN N N 113.914 0.400 1 534 567 64 ASN H H 8.630 0.020 1 535 567 64 ASN CA C 50.606 0.400 1 536 567 64 ASN HA H 4.661 0.020 1 537 567 64 ASN CB C 36.308 0.400 1 538 567 64 ASN HB2 H 2.880 0.020 2 539 567 64 ASN HB3 H 2.622 0.020 2 540 567 64 ASN C C 174.049 0.400 1 541 568 65 VAL N N 119.656 0.400 1 542 568 65 VAL H H 7.035 0.020 1 543 568 65 VAL CA C 59.334 0.400 1 544 568 65 VAL HA H 4.029 0.020 1 545 568 65 VAL CB C 28.976 0.400 1 546 568 65 VAL HB H 2.032 0.020 1 547 568 65 VAL HG1 H 0.579 0.020 2 548 568 65 VAL HG2 H 0.870 0.020 2 549 568 65 VAL CG1 C 20.172 0.400 1 550 568 65 VAL CG2 C 17.849 0.400 1 551 570 67 HIS H H 6.903 0.020 1 552 570 67 HIS CA C 54.320 0.400 1 553 570 67 HIS HA H 4.520 0.020 1 554 570 67 HIS CB C 27.436 0.400 1 555 570 67 HIS HB2 H 3.306 0.020 2 556 570 67 HIS HB3 H 2.880 0.020 2 557 570 67 HIS C C 174.439 0.400 1 558 571 68 ARG N N 119.296 0.400 1 559 571 68 ARG H H 6.910 0.020 1 560 571 68 ARG CA C 50.715 0.400 1 561 571 68 ARG CB C 27.457 0.400 1 562 571 68 ARG HB2 H 27.530 0.020 2 563 571 68 ARG HB3 H 27.530 0.020 2 564 571 68 ARG C C 174.864 0.400 1 565 572 69 THR N N 115.065 0.400 1 566 572 69 THR H H 8.663 0.020 1 567 572 69 THR CA C 58.094 0.400 1 568 572 69 THR HA H 4.614 0.020 1 569 572 69 THR CB C 69.640 0.400 1 570 572 69 THR HB H 4.434 0.020 1 571 572 69 THR HG2 H 1.179 0.020 1 572 572 69 THR C C 176.181 0.400 1 573 573 70 TYR N N 118.010 0.400 1 574 573 70 TYR H H 8.872 0.020 1 575 573 70 TYR CA C 58.633 0.400 1 576 573 70 TYR HA H 4.154 0.020 1 577 573 70 TYR CB C 34.660 0.400 1 578 573 70 TYR HB2 H 3.007 0.020 2 579 573 70 TYR HB3 H 2.838 0.020 2 580 573 70 TYR C C 176.198 0.400 1 581 574 71 VAL N N 120.068 0.400 1 582 574 71 VAL H H 6.338 0.020 1 583 574 71 VAL CA C 63.028 0.400 1 584 574 71 VAL HA H 3.161 0.020 1 585 574 71 VAL CB C 29.637 0.400 1 586 574 71 VAL HB H 1.475 0.020 1 587 574 71 VAL HG1 H 0.390 0.020 2 588 574 71 VAL HG2 H 0.639 0.020 2 589 574 71 VAL CG1 C 19.559 0.400 1 590 574 71 VAL CG2 C 19.169 0.400 1 591 574 71 VAL C C 176.956 0.400 1 592 575 72 ASP N N 120.210 0.400 1 593 575 72 ASP H H 7.230 0.020 1 594 575 72 ASP CA C 55.023 0.400 1 595 575 72 ASP HA H 4.175 0.020 1 596 575 72 ASP CB C 39.189 0.400 1 597 575 72 ASP HB2 H 2.877 0.020 2 598 575 72 ASP HB3 H 2.630 0.020 2 599 575 72 ASP C C 179.455 0.400 1 600 576 73 LEU N N 118.103 0.400 1 601 576 73 LEU H H 7.543 0.020 1 602 576 73 LEU CA C 55.520 0.400 1 603 576 73 LEU HA H 3.769 0.020 1 604 576 73 LEU CB C 38.239 0.400 1 605 576 73 LEU HB2 H 2.014 0.020 2 606 576 73 LEU HB3 H 1.332 0.020 2 607 576 73 LEU CG C 23.601 0.400 1 608 576 73 LEU HG H 1.874 0.020 1 609 576 73 LEU HD1 H 0.739 0.020 2 610 576 73 LEU HD2 H 0.239 0.020 2 611 576 73 LEU CD1 C 24.264 0.400 1 612 576 73 LEU CD2 C 19.556 0.400 1 613 576 73 LEU C C 176.171 0.400 1 614 577 74 LYS N N 121.200 0.400 1 615 577 74 LYS H H 7.003 0.020 1 616 577 74 LYS CA C 56.720 0.400 1 617 577 74 LYS HA H 1.802 0.020 1 618 577 74 LYS CB C 29.260 0.400 1 619 577 74 LYS HB2 H 1.200 0.020 2 620 577 74 LYS HB3 H 0.349 0.020 2 621 577 74 LYS C C 178.529 0.400 1 622 578 75 ASP N N 118.566 0.400 1 623 578 75 ASP H H 8.053 0.020 1 624 578 75 ASP CA C 54.936 0.400 1 625 578 75 ASP HA H 4.165 0.020 1 626 578 75 ASP CB C 38.256 0.400 1 627 578 75 ASP HB2 H 2.527 0.020 2 628 578 75 ASP HB3 H 2.440 0.020 2 629 578 75 ASP C C 178.953 0.400 1 630 579 76 LYS N N 120.825 0.400 1 631 579 76 LYS H H 7.916 0.020 1 632 579 76 LYS CA C 54.560 0.400 1 633 579 76 LYS HA H 3.951 0.020 1 634 579 76 LYS CB C 28.635 0.400 1 635 579 76 LYS HB2 H 1.508 0.020 2 636 579 76 LYS HB3 H 1.320 0.020 2 637 579 76 LYS C C 178.529 0.400 1 638 580 77 TRP N N 120.997 0.400 1 639 580 77 TRP H H 8.344 0.020 1 640 580 77 TRP CA C 58.735 0.400 1 641 580 77 TRP HA H 4.088 0.020 1 642 580 77 TRP CB C 28.031 0.400 1 643 580 77 TRP HB2 H 3.227 0.020 2 644 580 77 TRP HB3 H 3.227 0.020 2 645 580 77 TRP NE1 N 130.411 0.400 1 646 580 77 TRP HD1 H 7.312 0.020 1 647 580 77 TRP HE1 H 10.351 0.020 1 648 580 77 TRP C C 176.701 0.400 1 649 581 78 LYS N N 116.103 0.400 1 650 581 78 LYS H H 7.712 0.020 1 651 581 78 LYS CA C 58.040 0.400 1 652 581 78 LYS HA H 3.718 0.020 1 653 581 78 LYS CB C 29.650 0.400 1 654 581 78 LYS HB2 H 1.928 0.020 2 655 581 78 LYS HB3 H 1.866 0.020 2 656 581 78 LYS HG2 H 1.376 0.020 2 657 581 78 LYS HG3 H 1.376 0.020 2 658 581 78 LYS HD2 H 1.657 0.020 2 659 581 78 LYS HD3 H 1.616 0.020 2 660 581 78 LYS C C 180.218 0.400 1 661 582 79 THR N N 113.984 0.400 1 662 582 79 THR H H 7.867 0.020 1 663 582 79 THR CA C 63.808 0.400 1 664 582 79 THR HA H 4.027 0.020 1 665 582 79 THR CB C 66.407 0.400 1 666 582 79 THR HB H 4.205 0.020 1 667 582 79 THR HG2 H 1.189 0.020 1 668 582 79 THR C C 177.337 0.400 1 669 583 80 LEU N N 126.891 0.400 1 670 583 80 LEU H H 8.404 0.020 1 671 583 80 LEU CA C 55.937 0.400 1 672 583 80 LEU HA H 3.747 0.020 1 673 583 80 LEU CB C 39.696 0.400 1 674 583 80 LEU HB2 H 0.861 0.020 2 675 583 80 LEU HB3 H 1.736 0.020 2 676 583 80 LEU CG C 24.486 0.400 1 677 583 80 LEU HG H 1.542 0.020 1 678 583 80 LEU HD1 H 0.647 0.020 2 679 583 80 LEU CD1 C 21.150 0.400 1 680 583 80 LEU C C 178.047 0.400 1 681 584 81 VAL N N 119.969 0.400 1 682 584 81 VAL H H 8.065 0.020 1 683 584 81 VAL CA C 64.572 0.400 1 684 584 81 VAL HA H 2.942 0.020 1 685 584 81 VAL CB C 29.296 0.400 1 686 584 81 VAL HB H 1.766 0.020 1 687 584 81 VAL HG1 H 0.205 0.020 2 688 584 81 VAL HG2 H 0.693 0.020 2 689 584 81 VAL CG1 C 20.592 0.400 1 690 584 81 VAL CG2 C 19.192 0.400 1 691 584 81 VAL C C 178.735 0.400 1 692 585 82 HIS N N 119.118 0.400 1 693 585 82 HIS H H 7.642 0.020 1 694 585 82 HIS CA C 57.932 0.400 1 695 585 82 HIS HA H 4.164 0.020 1 696 585 82 HIS CB C 27.546 0.400 1 697 585 82 HIS HB2 H 3.201 0.020 2 698 585 82 HIS HB3 H 3.109 0.020 2 699 585 82 HIS C C 177.709 0.400 1 700 586 83 THR N N 116.181 0.400 1 701 586 83 THR H H 8.480 0.020 1 702 586 83 THR CA C 64.916 0.400 1 703 586 83 THR HA H 3.557 0.020 1 704 586 83 THR CB C 66.609 0.400 1 705 586 83 THR HB H 4.151 0.020 1 706 586 83 THR HG2 H 1.131 0.020 1 707 586 83 THR C C 175.089 0.400 1 708 587 84 ALA N N 119.916 0.400 1 709 587 84 ALA H H 8.353 0.020 1 710 587 84 ALA CA C 51.821 0.400 1 711 587 84 ALA HA H 3.854 0.020 1 712 587 84 ALA HB H 1.321 0.020 1 713 587 84 ALA CB C 17.215 0.400 1 714 587 84 ALA C C 177.924 0.400 1 715 588 85 SER N N 111.000 0.400 1 716 588 85 SER H H 7.519 0.020 1 717 588 85 SER CA C 57.545 0.400 1 718 588 85 SER HA H 4.270 0.020 1 719 588 85 SER CB C 61.967 0.400 1 720 588 85 SER HB2 H 3.934 0.020 2 721 588 85 SER HB3 H 3.864 0.020 2 722 588 85 SER C C 173.499 0.400 1 723 589 86 ILE N N 118.361 0.400 1 724 589 86 ILE H H 7.125 0.020 1 725 589 86 ILE CA C 57.778 0.400 1 726 589 86 ILE HA H 4.334 0.020 1 727 589 86 ILE CB C 37.378 0.400 1 728 589 86 ILE HB H 1.834 0.020 1 729 589 86 ILE HG2 H 0.642 0.020 1 730 589 86 ILE CG2 C 14.730 0.400 1 731 589 86 ILE CG1 C 22.573 0.400 1 732 589 86 ILE HG12 H 1.202 0.020 2 733 589 86 ILE HG13 H 1.202 0.020 2 734 589 86 ILE HD1 H 0.532 0.020 1 735 589 86 ILE CD1 C 11.259 0.400 1 736 589 86 ILE C C 174.867 0.400 1 737 590 87 ALA N N 125.567 0.400 1 738 590 87 ALA H H 8.129 0.020 1 739 590 87 ALA CA C 48.614 0.400 1 740 590 87 ALA HA H 4.373 0.020 1 741 590 87 ALA HB H 1.344 0.020 1 742 590 87 ALA CB C 15.338 0.400 1 743 591 88 PRO CA C 63.935 0.400 1 744 591 88 PRO HA H 3.738 0.020 1 745 591 88 PRO CB C 29.947 0.400 1 746 591 88 PRO HB2 H 2.310 0.020 2 747 591 88 PRO HB3 H 1.924 0.020 2 748 591 88 PRO HG2 H 3.739 0.020 2 749 591 88 PRO HG3 H 3.739 0.020 2 750 591 88 PRO HD2 H 3.776 0.020 2 751 591 88 PRO HD3 H 3.776 0.020 2 752 591 88 PRO C C 179.166 0.400 1 753 592 89 GLN N N 114.348 0.400 1 754 592 89 GLN H H 8.758 0.020 1 755 592 89 GLN CA C 55.972 0.400 1 756 592 89 GLN HA H 4.122 0.020 1 757 592 89 GLN CB C 25.581 0.400 1 758 592 89 GLN HB2 H 2.054 0.020 2 759 592 89 GLN HB3 H 2.025 0.020 2 760 592 89 GLN CG C 31.758 0.400 1 761 592 89 GLN HG2 H 2.439 0.020 2 762 592 89 GLN HG3 H 2.376 0.020 2 763 592 89 GLN C C 176.795 0.400 1 764 593 90 GLN N N 116.732 0.400 1 765 593 90 GLN H H 7.987 0.020 1 766 593 90 GLN CA C 53.319 0.400 1 767 593 90 GLN HA H 4.306 0.020 1 768 593 90 GLN CB C 27.719 0.400 1 769 593 90 GLN HB2 H 2.247 0.020 2 770 593 90 GLN HB3 H 1.978 0.020 2 771 593 90 GLN CG C 32.564 0.400 1 772 593 90 GLN HG2 H 2.303 0.020 2 773 593 90 GLN HG3 H 2.249 0.020 2 774 593 90 GLN C C 175.890 0.400 1 775 594 91 ARG N N 120.170 0.400 1 776 594 91 ARG H H 7.230 0.020 1 777 594 91 ARG CA C 55.265 0.400 1 778 594 91 ARG HA H 4.127 0.020 1 779 594 91 ARG CB C 28.160 0.400 1 780 594 91 ARG HB2 H 1.765 0.020 2 781 594 91 ARG HB3 H 1.765 0.020 2 782 594 91 ARG C C 180.395 0.400 1 783 595 92 ARG N N 122.460 0.400 1 784 595 92 ARG H H 8.460 0.020 1 785 595 92 ARG CA C 52.678 0.400 1 786 595 92 ARG HA H 4.517 0.020 1 787 595 92 ARG CB C 30.036 0.400 1 788 595 92 ARG HB2 H 1.809 0.020 2 789 595 92 ARG HB3 H 1.776 0.020 2 790 595 92 ARG C C 176.717 0.400 1 791 596 93 GLY N N 109.459 0.400 1 792 596 93 GLY H H 8.450 0.020 1 793 596 93 GLY CA C 42.011 0.400 1 794 596 93 GLY HA2 H 4.047 0.020 2 795 596 93 GLY HA3 H 3.763 0.020 2 796 596 93 GLY C C 173.729 0.400 1 797 597 94 ALA N N 125.150 0.400 1 798 597 94 ALA H H 8.313 0.020 1 799 597 94 ALA CA C 47.909 0.400 1 800 597 94 ALA HA H 4.412 0.020 1 801 597 94 ALA HB H 1.306 0.020 1 802 597 94 ALA CB C 15.597 0.400 1 803 598 95 PRO CA C 61.061 0.400 1 804 598 95 PRO HA H 4.354 0.020 1 805 598 95 PRO CB C 29.806 0.400 1 806 598 95 PRO HB2 H 2.125 0.020 2 807 598 95 PRO HB3 H 1.795 0.020 2 808 598 95 PRO CG C 25.197 0.400 1 809 598 95 PRO HG2 H 1.964 0.020 2 810 598 95 PRO HG3 H 1.964 0.020 2 811 598 95 PRO HD2 H 3.788 0.020 2 812 598 95 PRO HD3 H 3.591 0.020 2 813 598 95 PRO C C 176.697 0.400 1 814 599 96 VAL N N 123.007 0.400 1 815 599 96 VAL H H 8.091 0.020 1 816 599 96 VAL CA C 56.745 0.400 1 817 599 96 VAL HA H 4.373 0.020 1 818 599 96 VAL CB C 32.418 0.400 1 819 599 96 VAL HB H 1.765 0.020 1 820 599 96 VAL HG1 H 0.827 0.020 2 821 599 96 VAL HG2 H 0.894 0.020 2 822 599 96 VAL CG1 C 18.760 0.400 1 823 599 96 VAL CG2 C 19.418 0.400 1 824 600 97 PRO CA C 61.305 0.400 1 825 600 97 PRO HA H 4.299 0.020 1 826 600 97 PRO CB C 30.541 0.400 1 827 600 97 PRO HB2 H 2.509 0.020 2 828 600 97 PRO HB3 H 1.810 0.020 2 829 600 97 PRO CG C 25.442 0.400 1 830 600 97 PRO HG2 H 2.057 0.020 2 831 600 97 PRO HG3 H 2.107 0.020 2 832 600 97 PRO HD2 H 3.466 0.020 2 833 600 97 PRO HD3 H 3.905 0.020 2 834 600 97 PRO C C 177.885 0.400 1 835 601 98 GLN N N 126.512 0.400 1 836 601 98 GLN H H 9.007 0.020 1 837 601 98 GLN CA C 56.457 0.400 1 838 601 98 GLN HA H 3.629 0.020 1 839 601 98 GLN CB C 26.351 0.400 1 840 601 98 GLN HB2 H 2.300 0.020 2 841 601 98 GLN HB3 H 1.912 0.020 2 842 601 98 GLN CG C 31.195 0.400 1 843 601 98 GLN HG2 H 2.384 0.020 2 844 601 98 GLN HG3 H 2.308 0.020 2 845 601 98 GLN C C 177.049 0.400 1 846 602 99 GLU N N 116.637 0.400 1 847 602 99 GLU H H 9.486 0.020 1 848 602 99 GLU CA C 57.632 0.400 1 849 602 99 GLU HA H 4.152 0.020 1 850 602 99 GLU CB C 26.599 0.400 1 851 602 99 GLU HB2 H 2.007 0.020 2 852 602 99 GLU HB3 H 1.974 0.020 2 853 602 99 GLU CG C 34.195 0.400 1 854 602 99 GLU HG2 H 2.290 0.020 2 855 602 99 GLU HG3 H 2.290 0.020 2 856 602 99 GLU C C 179.622 0.400 1 857 603 100 LEU N N 117.953 0.400 1 858 603 100 LEU H H 7.149 0.020 1 859 603 100 LEU CA C 54.965 0.400 1 860 603 100 LEU HA H 4.195 0.020 1 861 603 100 LEU CB C 39.740 0.400 1 862 603 100 LEU HB2 H 1.839 0.020 2 863 603 100 LEU HB3 H 1.295 0.020 2 864 603 100 LEU CG C 24.962 0.400 1 865 603 100 LEU HG H 1.666 0.020 1 866 603 100 LEU HD1 H 0.903 0.020 2 867 603 100 LEU HD2 H 0.833 0.020 2 868 603 100 LEU CD1 C 23.304 0.400 1 869 603 100 LEU CD2 C 22.106 0.400 1 870 603 100 LEU C C 178.630 0.400 1 871 604 101 LEU N N 119.874 0.400 1 872 604 101 LEU H H 7.355 0.020 1 873 604 101 LEU CA C 55.697 0.400 1 874 604 101 LEU HA H 3.784 0.020 1 875 604 101 LEU CB C 37.971 0.400 1 876 604 101 LEU HB2 H 2.027 0.020 2 877 604 101 LEU HB3 H 1.208 0.020 2 878 604 101 LEU CG C 23.790 0.400 1 879 604 101 LEU HG H 1.515 0.020 1 880 604 101 LEU HD1 H 0.686 0.020 2 881 604 101 LEU HD2 H 0.539 0.020 2 882 604 101 LEU CD1 C 24.142 0.400 1 883 604 101 LEU CD2 C 19.409 0.400 1 884 604 101 LEU C C 178.955 0.400 1 885 605 102 ASP N N 119.296 0.400 1 886 605 102 ASP H H 8.884 0.020 1 887 605 102 ASP CA C 55.475 0.400 1 888 605 102 ASP HA H 4.346 0.020 1 889 605 102 ASP CB C 37.739 0.400 1 890 605 102 ASP HB2 H 2.717 0.020 2 891 605 102 ASP HB3 H 2.607 0.020 2 892 605 102 ASP C C 180.370 0.400 1 893 606 103 ARG N N 120.658 0.400 1 894 606 103 ARG H H 7.314 0.020 1 895 606 103 ARG CA C 57.310 0.400 1 896 606 103 ARG HA H 4.125 0.020 1 897 606 103 ARG CB C 29.878 0.400 1 898 606 103 ARG HB2 H 2.177 0.020 2 899 606 103 ARG HB3 H 1.950 0.020 2 900 606 103 ARG HG2 H 1.769 0.020 2 901 606 103 ARG HG3 H 1.769 0.020 2 902 606 103 ARG C C 180.078 0.400 1 903 607 104 VAL N N 123.410 0.400 1 904 607 104 VAL H H 8.218 0.020 1 905 607 104 VAL CA C 64.231 0.400 1 906 607 104 VAL HA H 3.816 0.020 1 907 607 104 VAL CB C 28.987 0.400 1 908 607 104 VAL HB H 2.308 0.020 1 909 607 104 VAL HG1 H 0.797 0.020 2 910 607 104 VAL HG2 H 0.020 0.020 2 911 607 104 VAL CG1 C 21.171 0.400 1 912 607 104 VAL CG2 C 18.417 0.400 1 913 607 104 VAL C C 177.466 0.400 1 914 608 105 LEU N N 117.396 0.400 1 915 608 105 LEU H H 7.758 0.020 1 916 608 105 LEU CA C 55.781 0.400 1 917 608 105 LEU HA H 3.958 0.020 1 918 608 105 LEU CB C 39.191 0.400 1 919 608 105 LEU HB2 H 1.827 0.020 2 920 608 105 LEU HB3 H 1.489 0.020 2 921 608 105 LEU CG C 24.223 0.400 1 922 608 105 LEU HG H 1.631 0.020 1 923 608 105 LEU HD1 H 0.802 0.020 2 924 608 105 LEU HD2 H 0.726 0.020 2 925 608 105 LEU CD1 C 22.972 0.400 1 926 608 105 LEU CD2 C 20.344 0.400 1 927 608 105 LEU C C 180.479 0.400 1 928 609 106 ALA N N 121.648 0.400 1 929 609 106 ALA H H 8.056 0.020 1 930 609 106 ALA CA C 52.896 0.400 1 931 609 106 ALA HA H 4.221 0.020 1 932 609 106 ALA HB H 1.486 0.020 1 933 609 106 ALA CB C 16.082 0.400 1 934 609 106 ALA C C 176.164 0.400 1 935 610 107 ALA N N 122.466 0.400 1 936 610 107 ALA H H 8.461 0.020 1 937 610 107 ALA CA C 52.856 0.400 1 938 610 107 ALA HA H 4.151 0.020 1 939 610 107 ALA HB H 1.496 0.020 1 940 610 107 ALA CB C 16.127 0.400 1 941 610 107 ALA C C 179.469 0.400 1 942 611 108 GLN N N 118.142 0.400 1 943 611 108 GLN H H 8.809 0.020 1 944 611 108 GLN CA C 56.715 0.400 1 945 611 108 GLN HA H 4.375 0.020 1 946 611 108 GLN CB C 26.244 0.400 1 947 611 108 GLN HB2 H 2.496 0.020 2 948 611 108 GLN HB3 H 2.231 0.020 2 949 611 108 GLN CG C 30.717 0.400 1 950 611 108 GLN HG2 H 2.512 0.020 2 951 611 108 GLN HG3 H 2.491 0.020 2 952 611 108 GLN C C 178.802 0.400 1 953 612 109 ALA N N 120.277 0.400 1 954 612 109 ALA H H 7.954 0.020 1 955 612 109 ALA CA C 52.731 0.400 1 956 612 109 ALA HA H 4.165 0.020 1 957 612 109 ALA HB H 1.490 0.020 1 958 612 109 ALA CB C 16.110 0.400 1 959 612 109 ALA C C 180.009 0.400 1 960 613 110 TYR N N 119.764 0.400 1 961 613 110 TYR H H 8.226 0.020 1 962 613 110 TYR CA C 59.289 0.400 1 963 613 110 TYR HA H 3.926 0.020 1 964 613 110 TYR CB C 36.529 0.400 1 965 613 110 TYR HB2 H 2.800 0.020 2 966 613 110 TYR HB3 H 3.039 0.020 2 967 613 110 TYR HD1 H 5.904 0.020 1 968 613 110 TYR C C 177.711 0.400 1 969 614 111 TRP N N 115.551 0.400 1 970 614 111 TRP H H 8.044 0.020 1 971 614 111 TRP CA C 55.666 0.400 1 972 614 111 TRP HA H 4.535 0.020 1 973 614 111 TRP CB C 27.729 0.400 1 974 614 111 TRP HB2 H 3.647 0.020 2 975 614 111 TRP HB3 H 3.019 0.020 2 976 614 111 TRP NE1 N 128.391 0.400 1 977 614 111 TRP HD1 H 7.293 0.020 1 978 614 111 TRP HE1 H 9.383 0.020 1 979 614 111 TRP HZ2 H 8.269 0.020 1 980 614 111 TRP C C 176.742 0.400 1 981 615 112 SER N N 115.205 0.400 1 982 615 112 SER H H 7.681 0.020 1 983 615 112 SER CA C 57.351 0.400 1 984 615 112 SER HA H 4.493 0.020 1 985 615 112 SER CB C 61.697 0.400 1 986 615 112 SER HB2 H 4.037 0.020 2 987 615 112 SER HB3 H 4.037 0.020 2 988 615 112 SER C C 174.700 0.400 1 989 1 113 VAL N N 120.010 0.400 1 990 1 113 VAL H H 7.659 0.020 1 991 1 113 VAL CA C 60.071 0.400 1 992 1 113 VAL HA H 4.168 0.020 1 993 1 113 VAL CB C 30.677 0.400 1 994 1 113 VAL HB H 2.020 0.020 1 995 1 113 VAL HG1 H 0.867 0.020 2 996 1 113 VAL CG1 C 18.279 0.400 1 997 1 113 VAL C C 176.137 0.400 1 998 2 114 ASP N N 123.201 0.400 1 999 2 114 ASP H H 8.265 0.020 1 1000 2 114 ASP CA C 52.187 0.400 1 1001 2 114 ASP HA H 4.580 0.020 1 1002 2 114 ASP CB C 39.357 0.400 1 1003 2 114 ASP HB2 H 2.673 0.020 2 1004 2 114 ASP HB3 H 2.673 0.020 2 1005 2 114 ASP C C 176.910 0.400 1 1006 3 115 SER N N 116.588 0.400 1 1007 3 115 SER H H 8.296 0.020 1 1008 3 115 SER CA C 56.867 0.400 1 1009 3 115 SER HA H 4.344 0.020 1 1010 3 115 SER CB C 61.566 0.400 1 1011 3 115 SER HB2 H 3.847 0.020 2 1012 3 115 SER HB3 H 3.847 0.020 2 1013 3 115 SER C C 175.355 0.400 1 1014 4 116 SER N N 117.864 0.400 1 1015 4 116 SER H H 8.366 0.020 1 1016 4 116 SER CA C 57.218 0.400 1 1017 4 116 SER HA H 4.345 0.020 1 1018 4 116 SER CB C 61.526 0.400 1 1019 4 116 SER HB2 H 3.868 0.020 2 1020 4 116 SER HB3 H 3.868 0.020 2 1021 4 116 SER C C 175.309 0.400 1 1022 5 117 GLY N N 110.356 0.400 1 1023 5 117 GLY H H 8.280 0.020 1 1024 5 117 GLY CA C 43.301 0.400 1 1025 5 117 GLY HA2 H 3.889 0.020 2 1026 5 117 GLY HA3 H 3.889 0.020 2 1027 5 117 GLY C C 173.950 0.400 1 1028 6 118 ARG N N 120.552 0.400 1 1029 6 118 ARG H H 7.896 0.020 1 1030 6 118 ARG CA C 53.974 0.400 1 1031 6 118 ARG HA H 4.276 0.020 1 1032 6 118 ARG CB C 28.501 0.400 1 1033 6 118 ARG HB2 H 1.726 0.020 2 1034 6 118 ARG HB3 H 1.668 0.020 2 1035 6 118 ARG HG2 H 1.581 0.020 2 1036 6 118 ARG HG3 H 1.581 0.020 2 1037 6 118 ARG C C 176.000 0.400 1 1038 7 119 ILE N N 123.548 0.400 1 1039 7 119 ILE H H 8.188 0.020 1 1040 7 119 ILE CA C 58.678 0.400 1 1041 7 119 ILE HA H 4.044 0.020 1 1042 7 119 ILE CB C 36.336 0.400 1 1043 7 119 ILE HB H 1.732 0.020 1 1044 7 119 ILE HG2 H 0.757 0.020 1 1045 7 119 ILE CG2 C 15.195 0.400 1 1046 7 119 ILE CG1 C 25.113 0.400 1 1047 7 119 ILE HG12 H 1.375 0.020 2 1048 7 119 ILE HG13 H 1.084 0.020 2 1049 7 119 ILE HD1 H 0.745 0.020 1 1050 7 119 ILE CD1 C 10.466 0.400 1 1051 7 119 ILE C C 176.188 0.400 1 1052 8 120 VAL N N 125.619 0.400 1 1053 8 120 VAL H H 8.270 0.020 1 1054 8 120 VAL CA C 60.094 0.400 1 1055 8 120 VAL HA H 4.147 0.020 1 1056 8 120 VAL CB C 30.545 0.400 1 1057 8 120 VAL HB H 2.003 0.020 1 1058 8 120 VAL HG1 H 0.848 0.020 2 1059 8 120 VAL CG1 C 18.325 0.400 1 1060 8 120 VAL C C 176.208 0.400 1 1061 9 121 THR N N 118.036 0.400 1 1062 9 121 THR H H 8.207 0.020 1 1063 9 121 THR CA C 59.152 0.400 1 1064 9 121 THR HA H 4.355 0.020 1 1065 9 121 THR CB C 67.781 0.400 1 1066 9 121 THR HB H 4.226 0.020 1 1067 9 121 THR HG2 H 1.102 0.020 1 1068 9 121 THR C C 173.524 0.400 1 1069 10 122 LEU N N 128.102 0.400 1 1070 10 122 LEU H H 7.877 0.020 1 1071 10 122 LEU CA C 53.760 0.400 1 1072 10 122 LEU CB C 40.267 0.400 1 stop_ save_