data_17321 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; New high resolution NMR structure of gpW (W protein of bacteriophage lambda) at neutral pH ; _BMRB_accession_number 17321 _BMRB_flat_file_name bmr17321.str _Entry_type original _Submission_date 2010-11-24 _Accession_date 2010-11-24 _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 Sborgi Lorenzo . . 2 Verma Abhinav . . 3 Munoz Victor . . 4 'de Alba' Eva . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 345 "13C chemical shifts" 203 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-11-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17322 '(W protein of bacteriophage lambda) at acidic pH' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Revisiting the NMR structure of the ultrafast downhill folding protein gpW from bacteriophage .' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22087227 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sborgi Lorenzo . . 2 Verma Abhinav . . 3 Munoz Victor . . 4 'de Alba' Eva . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 6 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e26409 _Page_last e26409 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'W protein of bacteriophage lambda' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'W protein of bacteriophage lambda' $gpW 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_gpW _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gpW _Molecular_mass 6989.108 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; MVRQEELAAARAALHDLMTG KRVATVQKDGRRVEFTATSV SDLKKYIAELEVQTGMTQRR RG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ARG 4 GLN 5 GLU 6 GLU 7 LEU 8 ALA 9 ALA 10 ALA 11 ARG 12 ALA 13 ALA 14 LEU 15 HIS 16 ASP 17 LEU 18 MET 19 THR 20 GLY 21 LYS 22 ARG 23 VAL 24 ALA 25 THR 26 VAL 27 GLN 28 LYS 29 ASP 30 GLY 31 ARG 32 ARG 33 VAL 34 GLU 35 PHE 36 THR 37 ALA 38 THR 39 SER 40 VAL 41 SER 42 ASP 43 LEU 44 LYS 45 LYS 46 TYR 47 ILE 48 ALA 49 GLU 50 LEU 51 GLU 52 VAL 53 GLN 54 THR 55 GLY 56 MET 57 THR 58 GLN 59 ARG 60 ARG 61 ARG 62 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 17322 gpW 100.00 62 100.00 100.00 1.68e-34 PDB 1HYW "Solution Structure Of Bacteriophage Lambda Gpw" 100.00 68 98.39 98.39 9.64e-34 PDB 2L6Q "New High Resolution Nmr Structure Of Gpw (w Protein Of Bacteriophage Lambda) At Neutral Ph" 100.00 62 100.00 100.00 1.68e-34 PDB 2L6R "High Resolution Nmr Structure Of Gpw (W Protein Of Bacteriophage Lambda) At Acidic Ph" 100.00 62 100.00 100.00 1.68e-34 DBJ BAG76119 "putative phage head-tail joining protein [Escherichia coli SE11]" 100.00 68 98.39 98.39 9.64e-34 DBJ BAG77589 "putative phage head-tail joining protein [Escherichia coli SE11]" 100.00 68 98.39 98.39 9.64e-34 DBJ BAI23937 "putative head-tail joining protein [Escherichia coli O26:H11 str. 11368]" 100.00 68 98.39 98.39 9.64e-34 DBJ BAI29406 "putative head-tail joining protein [Escherichia coli O103:H2 str. 12009]" 100.00 68 98.39 98.39 9.64e-34 DBJ GAL55727 "putative head-to-tail joining protein W [Escherichia albertii NBRC 107761]" 100.00 68 98.39 98.39 9.64e-34 EMBL CAP75664 "head-to-tail joining protein [Escherichia coli LF82]" 100.00 68 98.39 98.39 9.64e-34 EMBL CAQ31249 "enterobacteria phage lambda, head-tail joining protein [Escherichia coli BL21(DE3)]" 100.00 68 98.39 98.39 9.64e-34 EMBL CAQ97648 "Head-to-tail joining protein W (gpW) from bacteriophage origin [Escherichia coli IAI1]" 100.00 68 98.39 98.39 9.64e-34 EMBL CAQ98444 "Head-to-tail joining protein W (gpW) from bacteriophage origin [Escherichia coli IAI1]" 100.00 68 98.39 98.39 9.64e-34 EMBL CAR11829 "Head-to-tail joining protein W (gpW) from bacteriophage origin [Escherichia coli UMN026]" 100.00 68 98.39 98.39 9.64e-34 GB AAA96535 "W (head-tail joining;68) [Enterobacteria phage lambda]" 100.00 68 98.39 98.39 9.64e-34 GB AAG55981 "putative head-tail joining protein of prophage CP-933X [Escherichia coli O157:H7 str. EDL933]" 72.58 51 97.78 97.78 3.49e-21 GB AAN81624 "Putative head-tail joining protein of prophage [Escherichia coli CFT073]" 100.00 68 98.39 98.39 9.64e-34 GB AAZ89070 "putative head-tail joining protein of prophage [Shigella sonnei Ss046]" 100.00 68 98.39 98.39 9.64e-34 GB ABG69179 "head-to-tail joining protein W [Escherichia coli 536]" 100.00 68 98.39 98.39 9.64e-34 REF NP_040582 "head-tail joining protein [Enterobacteria phage lambda]" 100.00 68 98.39 98.39 9.64e-34 REF WP_000198149 "MULTISPECIES: Lambda prophage-derived head-to-tail joining protein W [Bacteria]" 100.00 68 98.39 98.39 9.64e-34 REF WP_000246867 "Head-to-tail joining protein W [Escherichia coli]" 64.52 46 97.50 100.00 1.41e-17 REF WP_001571330 "lambda prophage-derived head-to-tail joining protein W [Escherichia coli]" 98.39 61 98.36 98.36 5.91e-33 REF WP_001657975 "head-to-tail joining protein W, partial [Escherichia coli]" 100.00 62 98.39 98.39 7.86e-34 SP P68659 "RecName: Full=Lambda prophage-derived head-to-tail joining protein W; Short=gpW" 100.00 68 98.39 98.39 9.64e-34 SP P68660 "RecName: Full=Head-to-tail joining protein W; Short=gpW" 100.00 68 98.39 98.39 9.64e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gpW 'E. coli' 562 Bacteria . Escherichia coli 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 $gpW 'recombinant technology' . Escherichia coli . 'pBAT vector' 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 $gpW 1 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $gpW 1 mM '[U-13C; U-15N]' D2O 100 % 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _Sample_label $sample_2 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' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 294 . 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 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 HNCACB' '3D C(CO)NH' '2D 1H-1H TOCSY' '3D HCCH-TOCSY' 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 'W protein of bacteriophage lambda' _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 2 VAL H H 8.5900 0.0600 1 2 2 2 VAL HA H 4.3920 0.0600 1 3 2 2 VAL HB H 2.2440 0.0600 1 4 2 2 VAL HG1 H 1.0620 0.0600 1 5 2 2 VAL HG2 H 1.0710 0.0600 1 6 2 2 VAL CA C 62.3570 0.2928 1 7 2 2 VAL CB C 32.6350 0.2928 1 8 2 2 VAL CG1 C 21.4190 0.2928 2 9 2 2 VAL CG2 C 20.6140 0.2928 2 10 2 2 VAL N N 122.4220 0.1167 1 11 3 3 ARG H H 8.8626 0.0600 1 12 3 3 ARG HA H 4.4320 0.0600 1 13 3 3 ARG HB2 H 1.9880 0.0600 1 14 3 3 ARG HB3 H 1.9880 0.0600 1 15 3 3 ARG HG2 H 1.7766 0.0600 1 16 3 3 ARG HG3 H 1.7766 0.0600 1 17 3 3 ARG HD2 H 3.2765 0.0600 1 18 3 3 ARG HD3 H 3.2765 0.0600 1 19 3 3 ARG CA C 57.3560 0.2928 1 20 3 3 ARG CB C 30.3100 0.2928 1 21 3 3 ARG CG C 27.3220 0.2928 1 22 3 3 ARG CD C 43.1180 0.2928 1 23 3 3 ARG N N 124.7041 0.1167 1 24 4 4 GLN H H 8.7714 0.0600 1 25 4 4 GLN HA H 4.0940 0.0600 1 26 4 4 GLN HB2 H 2.1740 0.0600 1 27 4 4 GLN HB3 H 2.1740 0.0600 1 28 4 4 GLN HG2 H 2.5350 0.0600 1 29 4 4 GLN HG3 H 2.5350 0.0600 1 30 4 4 GLN CA C 59.0250 0.2928 1 31 4 4 GLN CB C 28.0670 0.2928 1 32 4 4 GLN CG C 33.6870 0.2928 1 33 4 4 GLN N N 119.8738 0.1167 1 34 5 5 GLU H H 8.5363 0.0600 1 35 5 5 GLU HA H 4.2130 0.0600 1 36 5 5 GLU HB2 H 2.1660 0.0600 1 37 5 5 GLU HB3 H 2.1660 0.0600 1 38 5 5 GLU HG2 H 2.4140 0.0600 1 39 5 5 GLU HG3 H 2.4140 0.0600 1 40 5 5 GLU CA C 59.2840 0.2928 1 41 5 5 GLU CB C 29.0770 0.2928 1 42 5 5 GLU CG C 36.5730 0.2928 1 43 5 5 GLU N N 120.0726 0.1167 1 44 6 6 GLU H H 8.2117 0.0600 1 45 6 6 GLU HA H 4.1932 0.0600 1 46 6 6 GLU HB2 H 2.2600 0.0600 1 47 6 6 GLU HB3 H 2.2600 0.0600 1 48 6 6 GLU HG2 H 2.4790 0.0600 1 49 6 6 GLU HG3 H 2.4790 0.0600 1 50 6 6 GLU CA C 59.2650 0.2928 1 51 6 6 GLU CB C 29.6870 0.2928 1 52 6 6 GLU CG C 37.2260 0.2928 1 53 6 6 GLU N N 122.2351 0.1167 1 54 7 7 LEU H H 8.1260 0.0600 1 55 7 7 LEU HA H 4.0910 0.0600 1 56 7 7 LEU HB2 H 2.0110 0.0600 2 57 7 7 LEU HB3 H 1.3950 0.0600 2 58 7 7 LEU HG H 1.5370 0.0600 1 59 7 7 LEU HD1 H 0.9580 0.0600 1 60 7 7 LEU HD2 H 0.9220 0.0600 1 61 7 7 LEU CA C 57.7410 0.2928 1 62 7 7 LEU CB C 41.2500 0.2928 1 63 7 7 LEU CG C 27.4270 0.2928 1 64 7 7 LEU CD1 C 23.9560 0.2928 2 65 7 7 LEU CD2 C 26.5160 0.2928 2 66 7 7 LEU N N 121.5410 0.1167 1 67 8 8 ALA H H 8.0579 0.0600 1 68 8 8 ALA HA H 4.0977 0.0600 1 69 8 8 ALA HB H 1.5374 0.0600 1 70 8 8 ALA CA C 55.3360 0.2928 1 71 8 8 ALA CB C 17.7160 0.2928 1 72 8 8 ALA N N 121.3110 0.1167 1 73 9 9 ALA H H 8.1230 0.0600 1 74 9 9 ALA HA H 4.3200 0.0600 1 75 9 9 ALA HB H 1.6870 0.0600 1 76 9 9 ALA CA C 54.6900 0.2928 1 77 9 9 ALA CB C 18.1410 0.2928 1 78 9 9 ALA N N 120.6493 0.1167 1 79 10 10 ALA H H 8.2039 0.0600 1 80 10 10 ALA HA H 4.1245 0.0600 1 81 10 10 ALA HB H 1.4480 0.0600 1 82 10 10 ALA CA C 55.3250 0.2928 1 83 10 10 ALA CB C 18.2960 0.2928 1 84 10 10 ALA N N 123.4590 0.1167 1 85 11 11 ARG H H 8.4746 0.0600 1 86 11 11 ARG HA H 3.9290 0.0600 1 87 11 11 ARG HB2 H 1.8560 0.0600 1 88 11 11 ARG HB3 H 1.8560 0.0600 1 89 11 11 ARG HG2 H 1.6380 0.0600 2 90 11 11 ARG HG3 H 1.8760 0.0600 2 91 11 11 ARG HD2 H 3.1280 0.0600 1 92 11 11 ARG HD3 H 3.1280 0.0600 1 93 11 11 ARG CA C 60.1590 0.2928 1 94 11 11 ARG CB C 30.0120 0.2928 1 95 11 11 ARG CG C 28.6770 0.2928 1 96 11 11 ARG CD C 43.5520 0.2928 1 97 11 11 ARG N N 116.8696 0.1167 1 98 12 12 ALA H H 8.1067 0.0600 1 99 12 12 ALA HA H 4.2650 0.0600 1 100 12 12 ALA HB H 1.5970 0.0600 1 101 12 12 ALA CA C 54.9040 0.2928 1 102 12 12 ALA CB C 17.5650 0.2928 1 103 12 12 ALA N N 123.5482 0.1167 1 104 13 13 ALA H H 7.8568 0.0600 1 105 13 13 ALA HA H 4.2490 0.0600 1 106 13 13 ALA HB H 1.4710 0.0600 1 107 13 13 ALA CA C 54.7490 0.2928 1 108 13 13 ALA CB C 17.9450 0.2928 1 109 13 13 ALA N N 121.7604 0.1167 1 110 14 14 LEU H H 7.8558 0.0600 1 111 14 14 LEU HA H 3.9090 0.0600 1 112 14 14 LEU HB2 H 2.0100 0.0600 2 113 14 14 LEU HB3 H 1.2480 0.0600 2 114 14 14 LEU HG H 1.6440 0.0600 1 115 14 14 LEU HD1 H 0.8620 0.0600 1 116 14 14 LEU HD2 H 0.8980 0.0600 1 117 14 14 LEU CA C 57.9060 0.2928 1 118 14 14 LEU CB C 40.9080 0.2928 1 119 14 14 LEU CG C 26.9300 0.2928 1 120 14 14 LEU CD1 C 26.4500 0.2928 2 121 14 14 LEU CD2 C 23.9360 0.2928 2 122 14 14 LEU N N 118.2050 0.1167 1 123 15 15 HIS H H 8.0675 0.0600 1 124 15 15 HIS HA H 4.2630 0.0600 1 125 15 15 HIS HB2 H 3.2970 0.0600 2 126 15 15 HIS HB3 H 3.5310 0.0600 2 127 15 15 HIS HD2 H 7.4070 0.0600 1 128 15 15 HIS CA C 59.4820 0.2928 1 129 15 15 HIS CB C 27.8800 0.2928 1 130 15 15 HIS CD2 C 120.1370 0.2928 1 131 15 15 HIS N N 117.9393 0.1167 1 132 16 16 ASP H H 8.4612 0.0600 1 133 16 16 ASP HA H 4.2430 0.0600 1 134 16 16 ASP HB2 H 3.1740 0.0600 2 135 16 16 ASP HB3 H 2.4110 0.0600 2 136 16 16 ASP CA C 57.6200 0.2928 1 137 16 16 ASP CB C 39.4100 0.2928 1 138 16 16 ASP N N 121.5246 0.1167 1 139 17 17 LEU H H 7.9280 0.0600 1 140 17 17 LEU HA H 4.3750 0.0600 1 141 17 17 LEU HB2 H 1.9250 0.0600 2 142 17 17 LEU HB3 H 1.2990 0.0600 2 143 17 17 LEU HG H 1.7610 0.0600 1 144 17 17 LEU HD1 H 0.6590 0.0600 1 145 17 17 LEU HD2 H 0.6560 0.0600 1 146 17 17 LEU CA C 57.3200 0.2928 1 147 17 17 LEU CB C 41.8220 0.2928 1 148 17 17 LEU CG C 26.2500 0.2928 1 149 17 17 LEU CD1 C 22.1130 0.2928 2 150 17 17 LEU CD2 C 26.3440 0.2928 2 151 17 17 LEU N N 119.8794 0.1167 1 152 18 18 MET H H 8.4337 0.0600 1 153 18 18 MET HA H 4.5060 0.0600 1 154 18 18 MET HB2 H 2.2340 0.0600 2 155 18 18 MET HB3 H 2.6980 0.0600 2 156 18 18 MET HG2 H 2.6590 0.0600 1 157 18 18 MET HG3 H 2.6590 0.0600 1 158 18 18 MET HE H 2.1020 0.0600 1 159 18 18 MET CA C 56.5540 0.2928 1 160 18 18 MET CB C 31.9150 0.2928 1 161 18 18 MET CG C 31.7950 0.2928 1 162 18 18 MET CE C 16.4080 0.2928 1 163 18 18 MET N N 117.8392 0.1167 1 164 19 19 THR H H 7.6249 0.0600 1 165 19 19 THR HA H 4.5490 0.0600 1 166 19 19 THR HB H 4.4960 0.0600 1 167 19 19 THR HG2 H 0.9970 0.0600 1 168 19 19 THR CA C 61.2570 0.2928 1 169 19 19 THR CB C 69.1470 0.2928 1 170 19 19 THR CG2 C 21.1880 0.2928 1 171 19 19 THR N N 108.6410 0.1167 1 172 20 20 GLY H H 7.5309 0.0600 1 173 20 20 GLY HA2 H 4.4666 0.0600 2 174 20 20 GLY HA3 H 3.6963 0.0600 2 175 20 20 GLY CA C 45.7050 0.2928 1 176 20 20 GLY N N 107.2862 0.1167 1 177 21 21 LYS H H 8.0710 0.0600 1 178 21 21 LYS HA H 4.3930 0.0600 1 179 21 21 LYS HB2 H 1.7870 0.0600 2 180 21 21 LYS HB3 H 1.5410 0.0600 2 181 21 21 LYS HG2 H 1.5580 0.0600 1 182 21 21 LYS HG3 H 1.5580 0.0600 1 183 21 21 LYS HD2 H 1.7410 0.0600 1 184 21 21 LYS HD3 H 1.7410 0.0600 1 185 21 21 LYS HE2 H 3.0870 0.0600 2 186 21 21 LYS HE3 H 3.0530 0.0600 2 187 21 21 LYS CA C 56.4760 0.2928 1 188 21 21 LYS CB C 32.0130 0.2928 1 189 21 21 LYS CG C 25.5000 0.2928 1 190 21 21 LYS CD C 28.7460 0.2928 1 191 21 21 LYS CE C 42.3120 0.2928 1 192 21 21 LYS N N 121.5210 0.1167 1 193 22 22 ARG H H 8.6509 0.0600 1 194 22 22 ARG HA H 4.1400 0.0600 1 195 22 22 ARG HB2 H 1.9780 0.0600 1 196 22 22 ARG HB3 H 1.9780 0.0600 1 197 22 22 ARG HG2 H 1.7870 0.0600 1 198 22 22 ARG HG3 H 1.7870 0.0600 1 199 22 22 ARG HD2 H 3.3100 0.0600 1 200 22 22 ARG HD3 H 3.3100 0.0600 1 201 22 22 ARG CA C 58.1770 0.2928 1 202 22 22 ARG CB C 30.9350 0.2928 1 203 22 22 ARG CG C 27.3680 0.2928 1 204 22 22 ARG CD C 42.9060 0.2928 1 205 22 22 ARG N N 120.5699 0.1167 1 206 23 23 VAL H H 7.4849 0.0600 1 207 23 23 VAL HA H 4.9170 0.0600 1 208 23 23 VAL HB H 1.9680 0.0600 1 209 23 23 VAL HG1 H 0.8970 0.0600 1 210 23 23 VAL HG2 H 0.8370 0.0600 1 211 23 23 VAL CA C 59.6230 0.2928 1 212 23 23 VAL CB C 35.5240 0.2928 1 213 23 23 VAL CG1 C 20.6010 0.2928 1 214 23 23 VAL CG2 C 20.6010 0.2928 1 215 23 23 VAL N N 114.5299 0.1167 1 216 24 24 ALA H H 8.8466 0.0600 1 217 24 24 ALA HA H 4.8860 0.0600 1 218 24 24 ALA HB H 1.4660 0.0600 1 219 24 24 ALA CA C 51.1540 0.2928 1 220 24 24 ALA CB C 23.3230 0.2928 1 221 24 24 ALA N N 127.1494 0.1167 1 222 25 25 THR H H 8.5342 0.0600 1 223 25 25 THR HA H 5.5400 0.0600 1 224 25 25 THR HB H 3.9770 0.0600 1 225 25 25 THR HG2 H 1.1330 0.0600 1 226 25 25 THR CA C 60.7890 0.2928 1 227 25 25 THR CB C 70.9890 0.2928 1 228 25 25 THR CG2 C 21.6280 0.2928 1 229 25 25 THR N N 114.4104 0.1167 1 230 26 26 VAL H H 8.8431 0.0600 1 231 26 26 VAL HA H 4.5930 0.0600 1 232 26 26 VAL HB H 2.3660 0.0600 1 233 26 26 VAL HG1 H 0.9660 0.0600 1 234 26 26 VAL HG2 H 1.0240 0.0600 1 235 26 26 VAL CA C 59.5020 0.2928 1 236 26 26 VAL CB C 35.5060 0.2928 1 237 26 26 VAL CG1 C 20.6770 0.2928 1 238 26 26 VAL CG2 C 22.0670 0.2928 1 239 26 26 VAL N N 118.4019 0.1167 1 240 27 27 GLN H H 8.5967 0.0600 1 241 27 27 GLN HA H 4.9620 0.0600 1 242 27 27 GLN HB2 H 1.9830 0.0600 1 243 27 27 GLN HB3 H 1.9830 0.0600 1 244 27 27 GLN HG2 H 2.2290 0.0600 1 245 27 27 GLN HG3 H 2.2290 0.0600 1 246 27 27 GLN CA C 54.4820 0.2928 1 247 27 27 GLN CB C 29.2140 0.2928 1 248 27 27 GLN CG C 33.5780 0.2928 1 249 27 27 GLN N N 122.4368 0.1167 1 250 28 28 LYS H H 9.0189 0.0600 1 251 28 28 LYS HA H 4.6380 0.0600 1 252 28 28 LYS HB2 H 1.4620 0.0600 2 253 28 28 LYS HB3 H 1.5980 0.0600 2 254 28 28 LYS HG2 H 1.1590 0.0600 1 255 28 28 LYS HG3 H 1.1590 0.0600 1 256 28 28 LYS HD2 H 1.0080 0.0600 2 257 28 28 LYS HD3 H 1.3750 0.0600 2 258 28 28 LYS HE2 H 2.6640 0.0600 1 259 28 28 LYS HE3 H 2.6640 0.0600 1 260 28 28 LYS CA C 55.4100 0.2928 1 261 28 28 LYS CB C 35.2040 0.2928 1 262 28 28 LYS CG C 24.6920 0.2928 1 263 28 28 LYS CD C 29.2900 0.2928 1 264 28 28 LYS CE C 41.5620 0.2928 1 265 28 28 LYS N N 127.4708 0.1167 1 266 29 29 ASP H H 9.4698 0.0600 1 267 29 29 ASP HA H 4.3353 0.0600 1 268 29 29 ASP HB2 H 2.9483 0.0600 2 269 29 29 ASP HB3 H 2.6883 0.0600 2 270 29 29 ASP CA C 55.3090 0.2928 1 271 29 29 ASP CB C 39.7420 0.2928 1 272 29 29 ASP N N 127.4311 0.1167 1 273 30 30 GLY H H 8.6828 0.0600 1 274 30 30 GLY HA2 H 3.6546 0.0600 2 275 30 30 GLY HA3 H 4.1376 0.0600 2 276 30 30 GLY CA C 45.3320 0.2928 1 277 30 30 GLY N N 103.4728 0.1167 1 278 31 31 ARG H H 7.8003 0.0600 1 279 31 31 ARG HA H 4.6920 0.0600 1 280 31 31 ARG HB2 H 1.7835 0.0600 1 281 31 31 ARG HB3 H 1.7835 0.0600 1 282 31 31 ARG HG2 H 1.5684 0.0600 1 283 31 31 ARG HG3 H 1.5684 0.0600 1 284 31 31 ARG HD2 H 3.1847 0.0600 1 285 31 31 ARG HD3 H 3.1847 0.0600 1 286 31 31 ARG CA C 54.0130 0.2928 1 287 31 31 ARG CB C 32.7150 0.2928 1 288 31 31 ARG CG C 26.6050 0.2928 1 289 31 31 ARG CD C 43.2570 0.2928 1 290 31 31 ARG N N 119.8307 0.1167 1 291 32 32 ARG H H 8.4529 0.0600 1 292 32 32 ARG HA H 4.5310 0.0600 1 293 32 32 ARG HB2 H 1.7050 0.0600 1 294 32 32 ARG HB3 H 1.7050 0.0600 1 295 32 32 ARG HG2 H 1.3700 0.0600 2 296 32 32 ARG HG3 H 1.5760 0.0600 2 297 32 32 ARG HD2 H 3.1618 0.0600 1 298 32 32 ARG HD3 H 3.1618 0.0600 1 299 32 32 ARG CA C 56.0100 0.2928 1 300 32 32 ARG CB C 30.4170 0.2928 1 301 32 32 ARG CG C 27.7200 0.2928 1 302 32 32 ARG CD C 43.2270 0.2928 1 303 32 32 ARG N N 122.4160 0.1167 1 304 33 33 VAL H H 9.0441 0.0600 1 305 33 33 VAL HA H 4.1240 0.0600 1 306 33 33 VAL HB H 1.7817 0.0600 1 307 33 33 VAL HG1 H 0.7810 0.0600 1 308 33 33 VAL HG2 H 0.4150 0.0600 1 309 33 33 VAL CA C 61.5280 0.2928 1 310 33 33 VAL CB C 33.8000 0.2928 1 311 33 33 VAL CG1 C 21.6700 0.2928 1 312 33 33 VAL CG2 C 21.6700 0.2928 1 313 33 33 VAL N N 128.0083 0.1167 1 314 34 34 GLU H H 8.2338 0.0600 1 315 34 34 GLU HA H 4.8480 0.0600 1 316 34 34 GLU HB2 H 1.7810 0.0600 1 317 34 34 GLU HB3 H 1.7810 0.0600 1 318 34 34 GLU HG2 H 2.1290 0.0600 1 319 34 34 GLU HG3 H 2.1290 0.0600 1 320 34 34 GLU CA C 54.8180 0.2928 1 321 34 34 GLU CB C 31.8290 0.2928 1 322 34 34 GLU CG C 36.9190 0.2928 1 323 34 34 GLU N N 124.0515 0.1167 1 324 35 35 PHE H H 9.1992 0.0600 1 325 35 35 PHE HA H 4.8270 0.0600 1 326 35 35 PHE HB2 H 2.9990 0.0600 2 327 35 35 PHE HB3 H 2.6560 0.0600 2 328 35 35 PHE HD1 H 7.3090 0.0600 1 329 35 35 PHE HD2 H 7.3090 0.0600 1 330 35 35 PHE HE1 H 7.1110 0.0600 1 331 35 35 PHE HE2 H 7.1370 0.0600 1 332 35 35 PHE HZ H 6.9350 0.0600 1 333 35 35 PHE CA C 57.2290 0.2928 1 334 35 35 PHE CB C 42.7830 0.2928 1 335 35 35 PHE CD1 C 132.3040 0.2928 1 336 35 35 PHE CD2 C 132.3040 0.2928 1 337 35 35 PHE CE1 C 130.9900 0.2928 1 338 35 35 PHE CE2 C 130.9900 0.2928 1 339 35 35 PHE CZ C 129.0870 0.2928 1 340 35 35 PHE N N 122.3729 0.1167 1 341 36 36 THR H H 8.2026 0.0600 1 342 36 36 THR HA H 5.0860 0.0600 1 343 36 36 THR HB H 4.6713 0.0600 1 344 36 36 THR HG2 H 1.3240 0.0600 1 345 36 36 THR CA C 59.6190 0.2928 1 346 36 36 THR CB C 72.3670 0.2928 1 347 36 36 THR CG2 C 21.2400 0.2928 1 348 36 36 THR N N 109.9180 0.1167 1 349 37 37 ALA H H 9.1403 0.0600 1 350 37 37 ALA HA H 4.1740 0.0600 1 351 37 37 ALA HB H 1.6310 0.0600 1 352 37 37 ALA CA C 55.4400 0.2928 1 353 37 37 ALA CB C 18.4030 0.2928 1 354 37 37 ALA N N 121.5544 0.1167 1 355 38 38 THR H H 7.8977 0.0600 1 356 38 38 THR HA H 4.3670 0.0600 1 357 38 38 THR HB H 4.4260 0.0600 1 358 38 38 THR HG2 H 1.3410 0.0600 1 359 38 38 THR CA C 63.4910 0.2928 1 360 38 38 THR CB C 68.5140 0.2928 1 361 38 38 THR CG2 C 21.9110 0.2928 1 362 38 38 THR N N 106.8617 0.1167 1 363 39 39 SER H H 8.1463 0.0600 1 364 39 39 SER HA H 5.2060 0.0600 1 365 39 39 SER HB2 H 4.0292 0.0600 2 366 39 39 SER HB3 H 4.6283 0.0600 2 367 39 39 SER CA C 56.5320 0.2928 1 368 39 39 SER CB C 63.0120 0.2928 1 369 39 39 SER N N 115.8223 0.1167 1 370 40 40 VAL H H 7.3653 0.0600 1 371 40 40 VAL HA H 3.7180 0.0600 1 372 40 40 VAL HB H 2.2250 0.0600 1 373 40 40 VAL HG1 H 1.1320 0.0600 1 374 40 40 VAL HG2 H 1.0520 0.0600 1 375 40 40 VAL CA C 66.4180 0.2928 1 376 40 40 VAL CB C 31.8960 0.2928 1 377 40 40 VAL CG1 C 23.5670 0.2928 1 378 40 40 VAL CG2 C 20.9380 0.2928 1 379 40 40 VAL N N 122.5419 0.1167 1 380 41 41 SER H H 8.9859 0.0600 1 381 41 41 SER HA H 4.1271 0.0600 1 382 41 41 SER HB2 H 3.9909 0.0600 1 383 41 41 SER HB3 H 3.9909 0.0600 1 384 41 41 SER CA C 61.8730 0.2928 1 385 41 41 SER CB C 61.8730 0.2928 1 386 41 41 SER N N 116.2516 0.1167 1 387 42 42 ASP H H 7.7233 0.0600 1 388 42 42 ASP HA H 4.5830 0.0600 1 389 42 42 ASP HB2 H 2.9290 0.0600 2 390 42 42 ASP HB3 H 3.1930 0.0600 2 391 42 42 ASP CA C 57.0810 0.2928 1 392 42 42 ASP CB C 40.3370 0.2928 1 393 42 42 ASP N N 122.0892 0.1167 1 394 43 43 LEU H H 7.6854 0.0600 1 395 43 43 LEU HA H 3.7960 0.0600 1 396 43 43 LEU HB2 H 1.8570 0.0600 2 397 43 43 LEU HB3 H 0.5720 0.0600 2 398 43 43 LEU HG H 1.3140 0.0600 1 399 43 43 LEU HD1 H 0.5770 0.0600 1 400 43 43 LEU HD2 H 0.5920 0.0600 1 401 43 43 LEU CA C 57.2950 0.2928 1 402 43 43 LEU CB C 39.9280 0.2928 1 403 43 43 LEU CG C 26.9110 0.2928 1 404 43 43 LEU CD1 C 21.1600 0.2928 2 405 43 43 LEU CD2 C 26.1550 0.2928 2 406 43 43 LEU N N 124.5403 0.1167 1 407 44 44 LYS H H 8.5157 0.0600 1 408 44 44 LYS HA H 3.8920 0.0600 1 409 44 44 LYS HB2 H 1.9242 0.0600 1 410 44 44 LYS HB3 H 1.9242 0.0600 1 411 44 44 LYS HG2 H 1.4360 0.0600 1 412 44 44 LYS HG3 H 1.7090 0.0600 1 413 44 44 LYS HD2 H 1.7380 0.0600 1 414 44 44 LYS HD3 H 1.7380 0.0600 1 415 44 44 LYS HE2 H 2.9400 0.0600 1 416 44 44 LYS HE3 H 2.9400 0.0600 1 417 44 44 LYS CA C 60.6970 0.2928 1 418 44 44 LYS CB C 31.9800 0.2928 1 419 44 44 LYS CG C 26.9070 0.2928 1 420 44 44 LYS CD C 29.6090 0.2928 1 421 44 44 LYS CE C 41.4990 0.2928 1 422 44 44 LYS N N 118.6553 0.1167 1 423 45 45 LYS H H 7.8658 0.0600 1 424 45 45 LYS HA H 4.1620 0.0600 1 425 45 45 LYS HB2 H 2.0630 0.0600 1 426 45 45 LYS HB3 H 2.0630 0.0600 1 427 45 45 LYS HG2 H 1.5610 0.0600 2 428 45 45 LYS HG3 H 1.6910 0.0600 2 429 45 45 LYS HD2 H 1.7880 0.0600 1 430 45 45 LYS HD3 H 1.7880 0.0600 1 431 45 45 LYS HE2 H 3.0180 0.0600 1 432 45 45 LYS HE3 H 3.0180 0.0600 1 433 45 45 LYS CA C 59.5510 0.2928 1 434 45 45 LYS CB C 32.5150 0.2928 1 435 45 45 LYS CG C 25.2090 0.2928 1 436 45 45 LYS CD C 29.3540 0.2928 1 437 45 45 LYS CE C 41.8140 0.2928 1 438 45 45 LYS N N 120.7522 0.1167 1 439 46 46 TYR H H 7.7198 0.0600 1 440 46 46 TYR HA H 4.7810 0.0600 1 441 46 46 TYR HB2 H 3.2205 0.0600 2 442 46 46 TYR HB3 H 3.3862 0.0600 2 443 46 46 TYR HD1 H 7.1590 0.0600 1 444 46 46 TYR HD2 H 7.1590 0.0600 1 445 46 46 TYR HE1 H 6.8460 0.0600 1 446 46 46 TYR HE2 H 6.8460 0.0600 1 447 46 46 TYR CA C 58.7570 0.2928 1 448 46 46 TYR CB C 37.9760 0.2928 1 449 46 46 TYR CD1 C 132.4000 0.2928 1 450 46 46 TYR CD2 C 132.4000 0.2928 1 451 46 46 TYR CE1 C 117.7750 0.2928 1 452 46 46 TYR CE2 C 117.7500 0.2928 1 453 46 46 TYR N N 121.9239 0.1167 1 454 47 47 ILE H H 8.3741 0.0600 1 455 47 47 ILE HA H 3.1400 0.0600 1 456 47 47 ILE HB H 1.7680 0.0600 1 457 47 47 ILE HG12 H 0.6200 0.0600 2 458 47 47 ILE HG13 H 1.7310 0.0600 2 459 47 47 ILE HG2 H 0.7960 0.0600 1 460 47 47 ILE HD1 H 0.8190 0.0600 1 461 47 47 ILE CA C 66.1030 0.2928 1 462 47 47 ILE CB C 38.3560 0.2928 1 463 47 47 ILE CG1 C 32.1310 0.2928 1 464 47 47 ILE CG2 C 16.9510 0.2928 1 465 47 47 ILE CD1 C 15.3290 0.2928 1 466 47 47 ILE N N 119.0098 0.1167 1 467 48 48 ALA H H 7.7933 0.0600 1 468 48 48 ALA HA H 4.2490 0.0600 1 469 48 48 ALA HB H 1.5441 0.0600 1 470 48 48 ALA CA C 54.7490 0.2928 1 471 48 48 ALA CB C 17.5220 0.2928 1 472 48 48 ALA N N 119.9959 0.1167 1 473 49 49 GLU H H 7.9891 0.0600 1 474 49 49 GLU HA H 4.1220 0.0600 1 475 49 49 GLU HB2 H 2.4500 0.0600 2 476 49 49 GLU HB3 H 2.2080 0.0600 2 477 49 49 GLU HG2 H 2.5450 0.0600 2 478 49 49 GLU HG3 H 2.3480 0.0600 2 479 49 49 GLU CA C 59.0150 0.2928 1 480 49 49 GLU CB C 29.2280 0.2928 1 481 49 49 GLU CG C 36.2520 0.2928 1 482 49 49 GLU N N 119.0296 0.1167 1 483 50 50 LEU H H 8.2467 0.0600 1 484 50 50 LEU HA H 4.0540 0.0600 1 485 50 50 LEU HB2 H 2.0028 0.0600 2 486 50 50 LEU HB3 H 1.1360 0.0600 2 487 50 50 LEU HG H 1.4350 0.0600 1 488 50 50 LEU HD1 H 0.7990 0.0600 1 489 50 50 LEU HD2 H 0.2890 0.0600 1 490 50 50 LEU CA C 57.3600 0.2928 1 491 50 50 LEU CB C 43.5140 0.2928 1 492 50 50 LEU CG C 26.2710 0.2928 1 493 50 50 LEU CD1 C 22.3800 0.2928 2 494 50 50 LEU CD2 C 25.2290 0.2928 2 495 50 50 LEU N N 120.6655 0.1167 1 496 51 51 GLU H H 8.6400 0.0600 1 497 51 51 GLU HA H 3.8720 0.0600 1 498 51 51 GLU HB2 H 2.3031 0.0600 2 499 51 51 GLU HB3 H 1.9590 0.0600 2 500 51 51 GLU HG2 H 2.5964 0.0600 2 501 51 51 GLU HG3 H 2.1210 0.0600 2 502 51 51 GLU CA C 59.4810 0.2928 1 503 51 51 GLU CB C 29.6450 0.2928 1 504 51 51 GLU CG C 37.6690 0.2928 1 505 51 51 GLU N N 120.0368 0.1167 1 506 52 52 VAL H H 7.6045 0.0600 1 507 52 52 VAL HA H 3.9580 0.0600 1 508 52 52 VAL HB H 2.3280 0.0600 1 509 52 52 VAL HG1 H 1.0340 0.0600 1 510 52 52 VAL HG2 H 1.1460 0.0600 1 511 52 52 VAL CA C 64.9600 0.2928 1 512 52 52 VAL CB C 31.8270 0.2928 1 513 52 52 VAL CG1 C 21.1100 0.2928 2 514 52 52 VAL CG2 C 21.9910 0.2928 2 515 52 52 VAL N N 118.5623 0.1167 1 516 53 53 GLN H H 8.1259 0.0600 1 517 53 53 GLN HA H 4.2344 0.0600 1 518 53 53 GLN HB2 H 2.1473 0.0600 2 519 53 53 GLN HB3 H 2.2391 0.0600 2 520 53 53 GLN HG2 H 2.6169 0.0600 2 521 53 53 GLN HG3 H 2.4805 0.0600 2 522 53 53 GLN CA C 57.6010 0.2928 1 523 53 53 GLN CB C 29.0880 0.2928 1 524 53 53 GLN CG C 33.8980 0.2928 1 525 53 53 GLN N N 120.0474 0.1167 1 526 54 54 THR H H 8.0807 0.0600 1 527 54 54 THR HA H 4.3590 0.0600 1 528 54 54 THR HB H 4.3520 0.0600 1 529 54 54 THR HG2 H 1.2790 0.0600 1 530 54 54 THR CA C 62.8650 0.2928 1 531 54 54 THR CB C 69.8220 0.2928 1 532 54 54 THR CG2 C 21.5530 0.2928 1 533 54 54 THR N N 110.6788 0.1167 1 534 55 55 GLY H H 8.0059 0.0600 1 535 55 55 GLY HA2 H 4.0630 0.0600 1 536 55 55 GLY HA3 H 4.0630 0.0600 1 537 55 55 GLY CA C 45.7080 0.2928 1 538 55 55 GLY N N 109.8951 0.1167 1 539 56 56 MET H H 8.0824 0.0600 1 540 56 56 MET HA H 4.5124 0.0600 1 541 56 56 MET HB2 H 2.1290 0.0600 1 542 56 56 MET HB3 H 2.1290 0.0600 1 543 56 56 MET HG2 H 2.6260 0.0600 1 544 56 56 MET HG3 H 2.6260 0.0600 1 545 56 56 MET CA C 55.8990 0.2928 1 546 56 56 MET CB C 32.5870 0.2928 1 547 56 56 MET CG C 31.9780 0.2928 1 548 56 56 MET N N 119.6533 0.1167 1 549 57 57 THR H H 8.0122 0.0600 1 550 57 57 THR HA H 4.3370 0.0600 1 551 57 57 THR HB H 4.2570 0.0600 1 552 57 57 THR HG2 H 1.2430 0.0600 1 553 57 57 THR CA C 62.0640 0.2928 1 554 57 57 THR CB C 69.5420 0.2928 1 555 57 57 THR CG2 C 21.5980 0.2928 1 556 57 57 THR N N 114.1057 0.1167 1 557 58 58 GLN H H 8.3483 0.0600 1 558 58 58 GLN HA H 4.3534 0.0600 1 559 58 58 GLN HB2 H 2.1570 0.0600 1 560 58 58 GLN HB3 H 2.1570 0.0600 1 561 58 58 GLN HG2 H 2.4160 0.0600 1 562 58 58 GLN HG3 H 2.4160 0.0600 1 563 58 58 GLN CA C 55.7030 0.2928 1 564 58 58 GLN CB C 29.2890 0.2928 1 565 58 58 GLN CG C 33.6630 0.2928 1 566 58 58 GLN N N 122.2861 0.1167 1 567 59 59 ARG H H 8.3483 0.0600 1 568 59 59 ARG HA H 4.3336 0.0600 1 569 59 59 ARG HB2 H 1.8634 0.0600 2 570 59 59 ARG HB3 H 1.7930 0.0600 2 571 59 59 ARG HG2 H 1.6950 0.0600 1 572 59 59 ARG HG3 H 1.6950 0.0600 1 573 59 59 ARG HD2 H 3.2303 0.0600 1 574 59 59 ARG HD3 H 3.2303 0.0600 1 575 59 59 ARG CA C 55.9800 0.2928 1 576 59 59 ARG CB C 30.6470 0.2928 1 577 59 59 ARG CG C 27.0160 0.2928 1 578 59 59 ARG CD C 43.1830 0.2928 1 579 59 59 ARG N N 122.2861 0.1167 1 580 60 60 ARG H H 8.4345 0.0600 1 581 60 60 ARG HA H 4.3522 0.0600 1 582 60 60 ARG HB2 H 1.8670 0.0600 1 583 60 60 ARG HB3 H 1.8670 0.0600 1 584 60 60 ARG HG2 H 1.6860 0.0600 1 585 60 60 ARG HG3 H 1.6860 0.0600 1 586 60 60 ARG HD2 H 3.2550 0.0600 1 587 60 60 ARG HD3 H 3.2550 0.0600 1 588 60 60 ARG CA C 56.0590 0.2928 1 589 60 60 ARG CB C 30.6970 0.2928 1 590 60 60 ARG CG C 27.0290 0.2928 1 591 60 60 ARG CD C 43.1480 0.2928 1 592 60 60 ARG N N 122.9587 0.1167 1 593 61 61 ARG H H 8.4925 0.0600 1 594 61 61 ARG HA H 4.3969 0.0600 1 595 61 61 ARG HB2 H 1.9187 0.0600 2 596 61 61 ARG HB3 H 1.8025 0.0600 2 597 61 61 ARG HG2 H 1.6864 0.0600 1 598 61 61 ARG HG3 H 1.6864 0.0600 1 599 61 61 ARG HD2 H 3.2332 0.0600 1 600 61 61 ARG HD3 H 3.2332 0.0600 1 601 61 61 ARG CA C 55.9560 0.2928 1 602 61 61 ARG CB C 30.8440 0.2928 1 603 61 61 ARG CD C 43.1700 0.2928 1 604 61 61 ARG N N 123.3047 0.1167 1 605 62 62 GLY H H 8.0682 0.0600 1 606 62 62 GLY HA2 H 3.7980 0.0600 2 607 62 62 GLY HA3 H 3.7450 0.0600 2 608 62 62 GLY CA C 46.0310 0.2928 1 609 62 62 GLY N N 116.5427 0.1167 1 stop_ save_