data_17322 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; High resolution NMR structure of gpW (W protein of bacteriophage lambda) at acidic pH ; _BMRB_accession_number 17322 _BMRB_flat_file_name bmr17322.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 'NMR model structure for atom by atom analysis of gpW unfolding' 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" 350 "13C chemical shifts" 206 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-09-20 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17321 '(W protein of bacteriophage lambda) at neutral pH' stop_ _Original_release_date 2012-09-20 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 17321 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' 'glycine 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' 'glycine 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_1H-13C_NOESY_9 _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' 0.02 . M pH 3.5 . pH pressure 1 . atm temperature 293.1 . 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 HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' 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 1 1 MET HA H 4.2220 0.0600 1 2 1 1 MET HB2 H 2.1910 0.0600 1 3 1 1 MET HB3 H 2.1910 0.0600 1 4 1 1 MET HG2 H 2.6300 0.0600 1 5 1 1 MET HG3 H 2.6300 0.0600 1 6 1 1 MET HE H 2.0400 0.0600 1 7 1 1 MET CA C 55.1640 0.2928 1 8 1 1 MET CB C 33.2290 0.2928 1 9 1 1 MET CG C 30.9500 0.2928 1 10 1 1 MET CE C 16.8700 0.2928 1 11 2 2 VAL H H 8.6970 0.0600 1 12 2 2 VAL HA H 4.2630 0.0600 1 13 2 2 VAL HB H 2.2390 0.0600 1 14 2 2 VAL HG1 H 0.9700 0.0600 1 15 2 2 VAL HG2 H 0.9440 0.0600 1 16 2 2 VAL CA C 62.6280 0.2928 1 17 2 2 VAL CB C 32.5770 0.2928 1 18 2 2 VAL CG1 C 20.8470 0.2928 1 19 2 2 VAL CG2 C 20.8470 0.2928 1 20 2 2 VAL N N 122.4190 0.1167 1 21 3 3 ARG H H 8.8270 0.0600 1 22 3 3 ARG HA H 4.2440 0.0600 1 23 3 3 ARG HB2 H 1.8660 0.0600 1 24 3 3 ARG HB3 H 1.8660 0.0600 1 25 3 3 ARG HG2 H 1.7520 0.0600 1 26 3 3 ARG HG3 H 1.7520 0.0600 1 27 3 3 ARG HD2 H 3.2400 0.0600 1 28 3 3 ARG HD3 H 3.2400 0.0600 1 29 3 3 ARG CA C 58.6420 0.2928 1 30 3 3 ARG CB C 30.1380 0.2928 1 31 3 3 ARG CG C 27.5350 0.2928 1 32 3 3 ARG CD C 43.1790 0.2928 1 33 3 3 ARG N N 124.6760 0.1167 1 34 4 4 GLN H H 8.7040 0.0600 1 35 4 4 GLN HA H 4.0560 0.0600 1 36 4 4 GLN HB2 H 2.1210 0.0600 1 37 4 4 GLN HB3 H 2.1210 0.0600 1 38 4 4 GLN HG2 H 2.4910 0.0600 1 39 4 4 GLN HG3 H 2.4910 0.0600 1 40 4 4 GLN HE21 H 7.3800 0.0600 1 41 4 4 GLN HE22 H 6.6500 0.0600 1 42 4 4 GLN CA C 59.1270 0.2928 1 43 4 4 GLN CB C 28.0820 0.2928 1 44 4 4 GLN CG C 33.8100 0.2928 1 45 4 4 GLN N N 118.7340 0.1167 1 46 4 4 GLN NE2 N 110.0700 0.1167 1 47 5 5 GLU H H 7.9490 0.0600 1 48 5 5 GLU HA H 4.2240 0.0600 1 49 5 5 GLU HB2 H 2.1880 0.0600 1 50 5 5 GLU HB3 H 2.1880 0.0600 1 51 5 5 GLU HG2 H 2.4840 0.0600 1 52 5 5 GLU HG3 H 2.4840 0.0600 1 53 5 5 GLU CA C 58.4360 0.2928 1 54 5 5 GLU CB C 28.4800 0.2928 1 55 5 5 GLU CG C 34.4360 0.2928 1 56 5 5 GLU N N 119.7730 0.1167 1 57 6 6 GLU H H 8.2660 0.0600 1 58 6 6 GLU HA H 4.1740 0.0600 1 59 6 6 GLU HB2 H 2.2910 0.0600 2 60 6 6 GLU HB3 H 2.1550 0.0600 2 61 6 6 GLU HG2 H 2.5840 0.0600 1 62 6 6 GLU HG3 H 2.5840 0.0600 1 63 6 6 GLU CA C 58.9940 0.2928 1 64 6 6 GLU CB C 28.9340 0.2928 1 65 6 6 GLU CG C 34.9140 0.2928 1 66 6 6 GLU N N 121.1640 0.1167 1 67 7 7 LEU H H 8.3060 0.0600 1 68 7 7 LEU HA H 4.0020 0.0600 1 69 7 7 LEU HB2 H 1.8940 0.0600 2 70 7 7 LEU HB3 H 1.3770 0.0600 2 71 7 7 LEU HG H 1.4790 0.0600 1 72 7 7 LEU HD1 H 0.8710 0.0600 1 73 7 7 LEU HD2 H 0.8710 0.0600 1 74 7 7 LEU CA C 57.8020 0.2928 1 75 7 7 LEU CB C 41.1910 0.2928 1 76 7 7 LEU CG C 26.5170 0.2928 1 77 7 7 LEU CD1 C 23.9490 0.2928 1 78 7 7 LEU CD2 C 23.9490 0.2928 1 79 7 7 LEU N N 121.3680 0.1167 1 80 8 8 ALA H H 8.0210 0.0600 1 81 8 8 ALA HA H 4.2540 0.0600 1 82 8 8 ALA HB H 1.6220 0.0600 1 83 8 8 ALA CA C 54.7290 0.2928 1 84 8 8 ALA CB C 18.3220 0.2928 1 85 8 8 ALA N N 121.3600 0.1167 1 86 9 9 ALA H H 8.1480 0.0600 1 87 9 9 ALA HA H 4.2590 0.0600 1 88 9 9 ALA HB H 1.6270 0.0600 1 89 9 9 ALA CA C 54.7350 0.2928 1 90 9 9 ALA CB C 18.1950 0.2928 1 91 9 9 ALA N N 120.8070 0.1167 1 92 10 10 ALA H H 8.3810 0.0600 1 93 10 10 ALA HA H 4.0710 0.0600 1 94 10 10 ALA HB H 1.3780 0.0600 1 95 10 10 ALA CA C 55.2260 0.2928 1 96 10 10 ALA CB C 18.4540 0.2928 1 97 10 10 ALA N N 123.2640 0.1167 1 98 11 11 ARG H H 8.4980 0.0600 1 99 11 11 ARG HA H 3.8660 0.0600 1 100 11 11 ARG HB2 H 1.8260 0.0600 1 101 11 11 ARG HB3 H 1.8260 0.0600 1 102 11 11 ARG HG2 H 1.5730 0.0600 1 103 11 11 ARG HG3 H 1.5730 0.0600 1 104 11 11 ARG HD2 H 3.0880 0.0600 1 105 11 11 ARG HD3 H 3.0880 0.0600 1 106 11 11 ARG CA C 60.1040 0.2928 1 107 11 11 ARG CB C 29.4350 0.2928 1 108 11 11 ARG CG C 28.7300 0.2928 1 109 11 11 ARG CD C 43.5060 0.2928 1 110 11 11 ARG N N 117.1480 0.1167 1 111 12 12 ALA H H 8.0700 0.0600 1 112 12 12 ALA HA H 4.2020 0.0600 1 113 12 12 ALA HB H 1.5320 0.0600 1 114 12 12 ALA CA C 54.9880 0.2928 1 115 12 12 ALA CB C 17.5910 0.2928 1 116 12 12 ALA N N 123.7480 0.1167 1 117 13 13 ALA H H 7.8970 0.0600 1 118 13 13 ALA HA H 4.1200 0.0600 1 119 13 13 ALA HB H 1.4580 0.0600 1 120 13 13 ALA CA C 54.7960 0.2928 1 121 13 13 ALA CB C 17.6000 0.2928 1 122 13 13 ALA N N 121.6670 0.1167 1 123 14 14 LEU H H 7.9580 0.0600 1 124 14 14 LEU HA H 4.2020 0.0600 1 125 14 14 LEU HB2 H 1.9480 0.0600 2 126 14 14 LEU HB3 H 1.2420 0.0600 2 127 14 14 LEU HG H 1.5900 0.0600 1 128 14 14 LEU HD1 H 0.8530 0.0600 1 129 14 14 LEU HD2 H 0.8530 0.0600 1 130 14 14 LEU CA C 57.8150 0.2928 1 131 14 14 LEU CB C 40.9570 0.2928 1 132 14 14 LEU CG C 26.4550 0.2928 1 133 14 14 LEU CD1 C 23.7900 0.2928 1 134 14 14 LEU CD2 C 23.7900 0.2928 1 135 14 14 LEU N N 118.3860 0.1167 1 136 15 15 HIS H H 8.0730 0.0600 1 137 15 15 HIS HA H 4.2510 0.0600 1 138 15 15 HIS HB2 H 3.2700 0.0600 2 139 15 15 HIS HB3 H 3.4890 0.0600 2 140 15 15 HIS HD2 H 7.3300 0.0600 1 141 15 15 HIS HE1 H 8.6140 0.0600 1 142 15 15 HIS CA C 59.1790 0.2928 1 143 15 15 HIS CB C 27.3460 0.2928 1 144 15 15 HIS CD2 C 120.3200 0.2928 1 145 15 15 HIS CE1 C 136.3500 0.2928 1 146 15 15 HIS N N 117.0410 0.1167 1 147 16 16 ASP H H 8.4880 0.0600 1 148 16 16 ASP HA H 4.1810 0.0600 1 149 16 16 ASP HB2 H 3.1500 0.0600 2 150 16 16 ASP HB3 H 2.4510 0.0600 2 151 16 16 ASP CA C 57.0620 0.2928 1 152 16 16 ASP CB C 38.5460 0.2928 1 153 16 16 ASP N N 121.2100 0.1167 1 154 17 17 LEU H H 7.9590 0.0600 1 155 17 17 LEU HA H 4.3190 0.0600 1 156 17 17 LEU HB2 H 1.8520 0.0600 2 157 17 17 LEU HB3 H 1.2560 0.0600 2 158 17 17 LEU HG H 1.6950 0.0600 1 159 17 17 LEU HD1 H 0.6080 0.0600 1 160 17 17 LEU HD2 H 0.6080 0.0600 1 161 17 17 LEU CA C 57.3400 0.2928 1 162 17 17 LEU CB C 41.7070 0.2928 1 163 17 17 LEU CG C 25.9930 0.2928 1 164 17 17 LEU CD1 C 22.0380 0.2928 1 165 17 17 LEU CD2 C 22.0380 0.2928 1 166 17 17 LEU N N 120.1960 0.1167 1 167 18 18 MET H H 8.3060 0.0600 1 168 18 18 MET HA H 4.4480 0.0600 1 169 18 18 MET HB2 H 2.1810 0.0600 2 170 18 18 MET HB3 H 2.7390 0.0600 2 171 18 18 MET HG2 H 2.6340 0.0600 1 172 18 18 MET HG3 H 2.6340 0.0600 1 173 18 18 MET HE H 2.0930 0.0600 1 174 18 18 MET CA C 56.5050 0.2928 1 175 18 18 MET CB C 31.9940 0.2928 1 176 18 18 MET CG C 31.9480 0.2928 1 177 18 18 MET CE C 16.4400 0.2928 1 178 18 18 MET N N 117.2840 0.1167 1 179 19 19 THR H H 7.5450 0.0600 1 180 19 19 THR HA H 4.4780 0.0600 1 181 19 19 THR HB H 4.4780 0.0600 1 182 19 19 THR HG2 H 0.9510 0.0600 1 183 19 19 THR CA C 61.1940 0.2928 1 184 19 19 THR CB C 69.1870 0.2928 1 185 19 19 THR CG2 C 21.2090 0.2928 1 186 19 19 THR N N 108.4620 0.1167 1 187 20 20 GLY H H 7.5630 0.0600 1 188 20 20 GLY HA2 H 3.6640 0.0600 1 189 20 20 GLY HA3 H 4.3920 0.0600 1 190 20 20 GLY CA C 45.6190 0.2928 1 191 20 20 GLY N N 107.4000 0.1167 1 192 21 21 LYS H H 7.9970 0.0600 1 193 21 21 LYS HA H 4.3410 0.0600 1 194 21 21 LYS HB2 H 1.4940 0.0600 2 195 21 21 LYS HB3 H 1.7120 0.0600 2 196 21 21 LYS HG2 H 1.4200 0.0600 1 197 21 21 LYS HG3 H 1.4200 0.0600 1 198 21 21 LYS HD2 H 1.6100 0.0600 1 199 21 21 LYS HD3 H 1.6100 0.0600 1 200 21 21 LYS HE2 H 3.0300 0.0600 1 201 21 21 LYS HE3 H 3.0300 0.0600 1 202 21 21 LYS CA C 56.1280 0.2928 1 203 21 21 LYS CB C 31.9710 0.2928 1 204 21 21 LYS CG C 25.2040 0.2928 1 205 21 21 LYS CD C 28.6400 0.2928 1 206 21 21 LYS CE C 42.1770 0.2928 1 207 21 21 LYS N N 121.0680 0.1167 1 208 22 22 ARG H H 8.6430 0.0600 1 209 22 22 ARG HA H 4.1130 0.0600 1 210 22 22 ARG HB2 H 1.9040 0.0600 1 211 22 22 ARG HB3 H 1.9040 0.0600 1 212 22 22 ARG HG2 H 1.6400 0.0600 1 213 22 22 ARG HG3 H 1.6400 0.0600 1 214 22 22 ARG HD2 H 3.2340 0.0600 1 215 22 22 ARG HD3 H 3.2340 0.0600 1 216 22 22 ARG CA C 57.8780 0.2928 1 217 22 22 ARG CB C 30.9400 0.2928 1 218 22 22 ARG CG C 27.2820 0.2928 1 219 22 22 ARG CD C 42.9550 0.2928 1 220 22 22 ARG N N 120.3840 0.1167 1 221 23 23 VAL H H 7.5250 0.0600 1 222 23 23 VAL HA H 4.8150 0.0600 1 223 23 23 VAL HB H 1.9140 0.0600 1 224 23 23 VAL HG1 H 0.8350 0.0600 1 225 23 23 VAL HG2 H 0.8350 0.0600 1 226 23 23 VAL CA C 59.7880 0.2928 1 227 23 23 VAL CB C 35.3010 0.2928 1 228 23 23 VAL CG1 C 20.5260 0.2928 1 229 23 23 VAL CG2 C 20.5260 0.2928 1 230 23 23 VAL N N 114.9450 0.1167 1 231 24 24 ALA H H 8.7900 0.0600 1 232 24 24 ALA HA H 4.7800 0.0600 1 233 24 24 ALA HB H 1.3820 0.0600 1 234 24 24 ALA CA C 51.2690 0.2928 1 235 24 24 ALA CB C 22.8590 0.2928 1 236 24 24 ALA N N 126.8880 0.1167 1 237 25 25 THR H H 8.5350 0.0600 1 238 25 25 THR HA H 5.3330 0.0600 1 239 25 25 THR HB H 3.9400 0.0600 1 240 25 25 THR HG2 H 1.0740 0.0600 1 241 25 25 THR CA C 61.1180 0.2928 1 242 25 25 THR CB C 70.8310 0.2928 1 243 25 25 THR CG2 C 21.5860 0.2928 1 244 25 25 THR N N 115.2920 0.1167 1 245 26 26 VAL H H 8.8490 0.0600 1 246 26 26 VAL HA H 4.4850 0.0600 1 247 26 26 VAL HB H 2.2270 0.0600 1 248 26 26 VAL HG1 H 0.9370 0.0600 1 249 26 26 VAL HG2 H 0.9370 0.0600 1 250 26 26 VAL CA C 59.7020 0.2928 1 251 26 26 VAL CB C 35.5140 0.2928 1 252 26 26 VAL CG1 C 21.4520 0.2928 1 253 26 26 VAL CG2 C 21.4520 0.2928 1 254 26 26 VAL N N 119.8780 0.1167 1 255 27 27 GLN H H 8.5660 0.0600 1 256 27 27 GLN HA H 4.8210 0.0600 1 257 27 27 GLN HB2 H 1.9440 0.0600 1 258 27 27 GLN HB3 H 1.9440 0.0600 1 259 27 27 GLN HG2 H 2.1990 0.0600 1 260 27 27 GLN HG3 H 2.1990 0.0600 1 261 27 27 GLN CA C 54.7680 0.2928 1 262 27 27 GLN CB C 29.1270 0.2928 1 263 27 27 GLN CG C 33.5910 0.2928 1 264 27 27 GLN N N 122.9870 0.1167 1 265 28 28 LYS H H 9.0700 0.0600 1 266 28 28 LYS HA H 4.5180 0.0600 1 267 28 28 LYS HB2 H 1.5810 0.0600 2 268 28 28 LYS HB3 H 1.3620 0.0600 2 269 28 28 LYS HG2 H 0.9900 0.0600 1 270 28 28 LYS HG3 H 0.9900 0.0600 1 271 28 28 LYS HD2 H 1.2400 0.0600 2 272 28 28 LYS HD3 H 0.9300 0.0600 2 273 28 28 LYS CA C 55.6650 0.2928 1 274 28 28 LYS CB C 35.0420 0.2928 1 275 28 28 LYS CG C 24.3920 0.2928 1 276 28 28 LYS CD C 29.3780 0.2928 1 277 28 28 LYS CE C 41.6720 0.2928 1 278 28 28 LYS N N 127.4460 0.1167 1 279 29 29 ASP H H 9.2680 0.0600 1 280 29 29 ASP HA H 4.3610 0.0600 1 281 29 29 ASP HB2 H 2.7380 0.0600 2 282 29 29 ASP HB3 H 2.9570 0.0600 2 283 29 29 ASP CA C 54.8980 0.2928 1 284 29 29 ASP CB C 38.8060 0.2928 1 285 29 29 ASP N N 126.2530 0.1167 1 286 30 30 GLY H H 8.6570 0.0600 1 287 30 30 GLY HA2 H 3.6340 0.0600 2 288 30 30 GLY HA3 H 4.1110 0.0600 2 289 30 30 GLY CA C 45.4890 0.2928 1 290 30 30 GLY N N 103.9000 0.1167 1 291 31 31 ARG H H 7.7480 0.0600 1 292 31 31 ARG HA H 4.6260 0.0600 1 293 31 31 ARG HB2 H 1.7460 0.0600 1 294 31 31 ARG HB3 H 1.7460 0.0600 1 295 31 31 ARG HG2 H 1.5350 0.0600 1 296 31 31 ARG HG3 H 1.5350 0.0600 1 297 31 31 ARG HD2 H 3.1520 0.0600 1 298 31 31 ARG HD3 H 3.1520 0.0600 1 299 31 31 ARG CA C 54.1430 0.2928 1 300 31 31 ARG CB C 32.7520 0.2928 1 301 31 31 ARG CG C 26.6300 0.2928 1 302 31 31 ARG CD C 43.1400 0.2928 1 303 31 31 ARG N N 119.6270 0.1167 1 304 32 32 ARG H H 8.4880 0.0600 1 305 32 32 ARG HA H 4.4450 0.0600 1 306 32 32 ARG HB2 H 1.7330 0.0600 1 307 32 32 ARG HB3 H 1.7330 0.0600 1 308 32 32 ARG HG2 H 1.6100 0.0600 1 309 32 32 ARG HG3 H 1.6100 0.0600 1 310 32 32 ARG HD2 H 3.1470 0.0600 1 311 32 32 ARG HD3 H 3.1470 0.0600 1 312 32 32 ARG CA C 56.3310 0.2928 1 313 32 32 ARG CB C 30.4050 0.2928 1 314 32 32 ARG CG C 26.6690 0.2928 1 315 32 32 ARG CD C 43.2000 0.2928 1 316 32 32 ARG N N 122.2620 0.1167 1 317 33 33 VAL H H 8.9470 0.0600 1 318 33 33 VAL HA H 4.0800 0.0600 1 319 33 33 VAL HB H 1.7550 0.0600 1 320 33 33 VAL HG1 H 0.3870 0.0600 1 321 33 33 VAL HG2 H 0.3870 0.0600 1 322 33 33 VAL CA C 61.3350 0.2928 1 323 33 33 VAL CB C 33.9620 0.2928 1 324 33 33 VAL CG1 C 21.4680 0.2928 1 325 33 33 VAL CG2 C 21.4680 0.2928 1 326 33 33 VAL N N 126.9150 0.1167 1 327 34 34 GLU H H 8.2790 0.0600 1 328 34 34 GLU HA H 4.8560 0.0600 1 329 34 34 GLU HB2 H 1.7850 0.0600 1 330 34 34 GLU HB3 H 1.7850 0.0600 1 331 34 34 GLU HG2 H 2.2220 0.0600 1 332 34 34 GLU HG3 H 2.2220 0.0600 1 333 34 34 GLU CA C 54.5100 0.2928 1 334 34 34 GLU CB C 30.2790 0.2928 1 335 34 34 GLU CG C 33.9540 0.2928 1 336 34 34 GLU N N 123.2840 0.1167 1 337 35 35 PHE H H 9.1230 0.0600 1 338 35 35 PHE HA H 4.7510 0.0600 1 339 35 35 PHE HB2 H 2.6000 0.0600 2 340 35 35 PHE HB3 H 2.9430 0.0600 2 341 35 35 PHE HD1 H 7.1700 0.0600 1 342 35 35 PHE HD2 H 7.1700 0.0600 1 343 35 35 PHE HE1 H 7.0000 0.0600 1 344 35 35 PHE HE2 H 7.0000 0.0600 1 345 35 35 PHE CA C 57.3540 0.2928 1 346 35 35 PHE CB C 42.5160 0.2928 1 347 35 35 PHE CD1 C 132.3030 0.2928 1 348 35 35 PHE CD2 C 132.3030 0.2928 1 349 35 35 PHE CE1 C 131.0100 0.2928 1 350 35 35 PHE CE2 C 131.0100 0.2928 1 351 35 35 PHE CZ C 129.1000 0.2928 1 352 35 35 PHE N N 122.4330 0.1167 1 353 36 36 THR H H 8.1950 0.0600 1 354 36 36 THR HA H 4.9710 0.0600 1 355 36 36 THR HB H 4.6330 0.0600 1 356 36 36 THR HG2 H 1.2590 0.0600 1 357 36 36 THR CA C 59.6380 0.2928 1 358 36 36 THR CB C 72.2420 0.2928 1 359 36 36 THR CG2 C 21.1880 0.2928 1 360 36 36 THR N N 110.2930 0.1167 1 361 37 37 ALA H H 9.0699 0.0600 1 362 37 37 ALA HA H 4.1300 0.0600 1 363 37 37 ALA HB H 1.5650 0.0600 1 364 37 37 ALA CA C 55.2230 0.2928 1 365 37 37 ALA CB C 18.6230 0.2928 1 366 37 37 ALA N N 121.7700 0.1167 1 367 38 38 THR H H 7.8950 0.0600 1 368 38 38 THR HA H 4.3290 0.0600 1 369 38 38 THR HB H 4.3290 0.0600 1 370 38 38 THR HG2 H 1.2910 0.0600 1 371 38 38 THR CA C 63.4900 0.2928 1 372 38 38 THR CB C 68.7090 0.2928 1 373 38 38 THR CG2 C 21.8730 0.2928 1 374 38 38 THR N N 107.0320 0.1167 1 375 39 39 SER H H 8.1320 0.0600 1 376 39 39 SER HA H 5.1080 0.0600 1 377 39 39 SER HB2 H 3.9630 0.0600 2 378 39 39 SER HB3 H 4.5530 0.0600 2 379 39 39 SER CA C 56.5410 0.2928 1 380 39 39 SER CB C 63.3230 0.2928 1 381 39 39 SER N N 115.8240 0.1167 1 382 40 40 VAL H H 7.4280 0.0600 1 383 40 40 VAL HA H 3.6560 0.0600 1 384 40 40 VAL HB H 2.1520 0.0600 1 385 40 40 VAL HG1 H 0.9870 0.0600 1 386 40 40 VAL HG2 H 1.0760 0.0600 1 387 40 40 VAL CA C 66.5230 0.2928 1 388 40 40 VAL CB C 31.9010 0.2928 1 389 40 40 VAL CG1 C 23.4800 0.2928 2 390 40 40 VAL CG2 C 20.9040 0.2928 2 391 40 40 VAL N N 122.6310 0.1167 1 392 41 41 SER H H 8.9680 0.0600 1 393 41 41 SER HA H 4.1030 0.0600 1 394 41 41 SER HB2 H 3.9400 0.0600 1 395 41 41 SER HB3 H 3.9400 0.0600 1 396 41 41 SER CA C 61.7990 0.2928 1 397 41 41 SER CB C 61.8980 0.2928 1 398 41 41 SER N N 116.2550 0.1167 1 399 42 42 ASP H H 7.7580 0.0600 1 400 42 42 ASP HA H 4.5170 0.0600 1 401 42 42 ASP HB2 H 2.9060 0.0600 2 402 42 42 ASP HB3 H 3.1320 0.0600 2 403 42 42 ASP CA C 56.9130 0.2928 1 404 42 42 ASP CB C 39.8760 0.2928 1 405 42 42 ASP N N 121.8900 0.1167 1 406 43 43 LEU H H 7.7210 0.0600 1 407 43 43 LEU HA H 3.7510 0.0600 1 408 43 43 LEU HB2 H 1.7970 0.0600 1 409 43 43 LEU HB3 H 1.7970 0.0600 1 410 43 43 LEU HG H 1.2850 0.0600 1 411 43 43 LEU HD1 H 0.5420 0.0600 1 412 43 43 LEU HD2 H 0.5420 0.0600 1 413 43 43 LEU CA C 57.3600 0.2928 1 414 43 43 LEU CB C 40.1010 0.2928 1 415 43 43 LEU CG C 26.0680 0.2928 1 416 43 43 LEU CD1 C 21.3780 0.2928 1 417 43 43 LEU CD2 C 21.3780 0.2928 1 418 43 43 LEU N N 124.3900 0.1167 1 419 44 44 LYS H H 8.5000 0.0600 1 420 44 44 LYS HA H 3.8310 0.0600 1 421 44 44 LYS HB2 H 1.8800 0.0600 1 422 44 44 LYS HB3 H 1.8800 0.0600 1 423 44 44 LYS HG2 H 1.3500 0.0600 1 424 44 44 LYS HG3 H 1.3500 0.0600 1 425 44 44 LYS HD2 H 1.6650 0.0600 1 426 44 44 LYS HD3 H 1.6650 0.0600 1 427 44 44 LYS HE2 H 2.8170 0.0600 1 428 44 44 LYS HE3 H 2.8170 0.0600 1 429 44 44 LYS CA C 60.8430 0.2928 1 430 44 44 LYS CB C 32.0140 0.2928 1 431 44 44 LYS CG C 26.7220 0.2928 1 432 44 44 LYS CD C 29.5900 0.2928 1 433 44 44 LYS CE C 41.7170 0.2928 1 434 44 44 LYS N N 118.7450 0.1167 1 435 45 45 LYS H H 7.8620 0.0600 1 436 45 45 LYS HA H 4.1070 0.0600 1 437 45 45 LYS HB2 H 1.9810 0.0600 1 438 45 45 LYS HB3 H 1.9810 0.0600 1 439 45 45 LYS HG2 H 1.4570 0.0600 1 440 45 45 LYS HG3 H 1.4570 0.0600 1 441 45 45 LYS HD2 H 1.6380 0.0600 1 442 45 45 LYS HD3 H 1.6380 0.0600 1 443 45 45 LYS HE2 H 2.9820 0.0600 1 444 45 45 LYS HE3 H 2.9820 0.0600 1 445 45 45 LYS CA C 59.5480 0.2928 1 446 45 45 LYS CB C 32.4530 0.2928 1 447 45 45 LYS CG C 25.1130 0.2928 1 448 45 45 LYS CD C 29.4200 0.2928 1 449 45 45 LYS CE C 41.9390 0.2928 1 450 45 45 LYS N N 120.5500 0.1167 1 451 46 46 TYR H H 7.7350 0.0600 1 452 46 46 TYR HA H 4.6710 0.0600 1 453 46 46 TYR HB2 H 3.2150 0.0600 2 454 46 46 TYR HB3 H 3.3020 0.0600 2 455 46 46 TYR HD1 H 6.9900 0.0600 1 456 46 46 TYR HD2 H 6.9900 0.0600 1 457 46 46 TYR HE1 H 6.7100 0.0600 1 458 46 46 TYR HE2 H 6.7100 0.0600 1 459 46 46 TYR CA C 58.8800 0.2928 1 460 46 46 TYR CB C 37.8840 0.2928 1 461 46 46 TYR CD1 C 132.2100 0.2928 1 462 46 46 TYR CD2 C 132.2100 0.2928 1 463 46 46 TYR CE1 C 117.9300 0.2928 1 464 46 46 TYR CE2 C 117.9300 0.2928 1 465 46 46 TYR N N 121.9430 0.1167 1 466 47 47 ILE H H 8.3260 0.0600 1 467 47 47 ILE HA H 3.0810 0.0600 1 468 47 47 ILE HB H 1.7110 0.0600 1 469 47 47 ILE HG12 H 1.6200 0.0600 1 470 47 47 ILE HG13 H 1.6200 0.0600 1 471 47 47 ILE HG2 H 0.6700 0.0600 1 472 47 47 ILE HD1 H 0.7330 0.0600 1 473 47 47 ILE CA C 66.1150 0.2928 1 474 47 47 ILE CB C 38.2310 0.2928 1 475 47 47 ILE CG1 C 31.9540 0.2928 1 476 47 47 ILE CG2 C 16.5080 0.2928 1 477 47 47 ILE CD1 C 15.0480 0.2928 1 478 47 47 ILE N N 119.1180 0.1167 1 479 48 48 ALA H H 7.7980 0.0600 1 480 48 48 ALA HA H 4.1200 0.0600 1 481 48 48 ALA HB H 1.4580 0.0600 1 482 48 48 ALA CA C 54.8010 0.2928 1 483 48 48 ALA CB C 17.6000 0.2928 1 484 48 48 ALA N N 119.9820 0.1167 1 485 49 49 GLU H H 7.9580 0.0600 1 486 49 49 GLU HA H 4.1050 0.0600 1 487 49 49 GLU HB2 H 2.2120 0.0600 2 488 49 49 GLU HB3 H 2.4160 0.0600 2 489 49 49 GLU HG2 H 2.6810 0.0600 1 490 49 49 GLU HG3 H 2.6810 0.0600 1 491 49 49 GLU CA C 58.4350 0.2928 1 492 49 49 GLU CB C 27.7670 0.2928 1 493 49 49 GLU CG C 33.5900 0.2928 1 494 49 49 GLU N N 118.3860 0.1167 1 495 50 50 LEU H H 8.1970 0.0600 1 496 50 50 LEU HA H 4.0100 0.0600 1 497 50 50 LEU HB2 H 1.0860 0.0600 2 498 50 50 LEU HB3 H 1.8960 0.0600 2 499 50 50 LEU HG H 1.3350 0.0600 1 500 50 50 LEU HD1 H 0.1780 0.0600 1 501 50 50 LEU HD2 H 0.7560 0.0600 1 502 50 50 LEU CA C 57.0300 0.2928 1 503 50 50 LEU CB C 43.3860 0.2928 1 504 50 50 LEU CG C 25.3000 0.2928 1 505 50 50 LEU CD1 C 22.0990 0.2928 1 506 50 50 LEU CD2 C 22.0990 0.2928 1 507 50 50 LEU N N 120.4370 0.1167 1 508 51 51 GLU H H 8.2820 0.0600 1 509 51 51 GLU HA H 3.9270 0.0600 1 510 51 51 GLU HB2 H 2.0190 0.0600 2 511 51 51 GLU HB3 H 2.2550 0.0600 2 512 51 51 GLU HG2 H 2.6610 0.0600 1 513 51 51 GLU HG3 H 2.6610 0.0600 1 514 51 51 GLU CA C 58.4030 0.2928 1 515 51 51 GLU CB C 28.5120 0.2928 1 516 51 51 GLU CG C 34.7970 0.2928 1 517 51 51 GLU N N 118.4580 0.1167 1 518 52 52 VAL H H 7.5430 0.0600 1 519 52 52 VAL HA H 3.9300 0.0600 1 520 52 52 VAL HB H 2.2250 0.0600 1 521 52 52 VAL HG1 H 0.9710 0.0600 1 522 52 52 VAL HG2 H 1.0800 0.0600 1 523 52 52 VAL CA C 64.4150 0.2928 1 524 52 52 VAL CB C 31.9340 0.2928 1 525 52 52 VAL CG1 C 21.3810 0.2928 1 526 52 52 VAL CG2 C 21.3810 0.2928 1 527 52 52 VAL N N 118.5220 0.1167 1 528 53 53 GLN H H 8.1860 0.0600 1 529 53 53 GLN HA H 4.2540 0.0600 1 530 53 53 GLN HB2 H 2.1190 0.0600 1 531 53 53 GLN HB3 H 2.1190 0.0600 1 532 53 53 GLN HG2 H 2.4310 0.0600 2 533 53 53 GLN HG3 H 2.5480 0.0600 2 534 53 53 GLN CA C 57.2420 0.2928 1 535 53 53 GLN CB C 29.0230 0.2928 1 536 53 53 GLN CG C 33.7800 0.2928 1 537 53 53 GLN N N 121.0440 0.1167 1 538 54 54 THR H H 8.0740 0.0600 1 539 54 54 THR HA H 4.3030 0.0600 1 540 54 54 THR HB H 4.3030 0.0600 1 541 54 54 THR HG2 H 1.2230 0.0600 1 542 54 54 THR CA C 62.6090 0.2928 1 543 54 54 THR CB C 69.7970 0.2928 1 544 54 54 THR CG2 C 21.5200 0.2928 1 545 54 54 THR N N 111.8560 0.1167 1 546 55 55 GLY H H 8.1170 0.0600 1 547 55 55 GLY HA2 H 4.0050 0.0600 1 548 55 55 GLY HA3 H 4.0050 0.0600 1 549 55 55 GLY CA C 45.5560 0.2928 1 550 55 55 GLY N N 110.1480 0.1167 1 551 56 56 MET H H 8.1300 0.0600 1 552 56 56 MET HA H 4.4920 0.0600 1 553 56 56 MET HB2 H 2.0590 0.0600 1 554 56 56 MET HB3 H 2.0590 0.0600 1 555 56 56 MET HG2 H 2.5410 0.0600 2 556 56 56 MET HG3 H 2.6250 0.0600 2 557 56 56 MET HE H 2.1080 0.0600 1 558 56 56 MET CA C 55.9840 0.2928 1 559 56 56 MET CB C 32.5410 0.2928 1 560 56 56 MET N N 119.7070 0.1167 1 561 57 57 THR H H 8.0930 0.0600 1 562 57 57 THR HA H 4.3050 0.0600 1 563 57 57 THR HB H 4.3050 0.0600 1 564 57 57 THR HG2 H 1.1980 0.0600 1 565 57 57 THR CA C 62.1760 0.2928 1 566 57 57 THR CB C 69.6110 0.2928 1 567 57 57 THR CG2 C 21.5500 0.2928 1 568 57 57 THR N N 114.6700 0.1167 1 569 58 58 GLN H H 8.3590 0.0600 1 570 58 58 GLN HA H 4.3050 0.0600 1 571 58 58 GLN HB2 H 2.0450 0.0600 1 572 58 58 GLN HB3 H 2.0450 0.0600 1 573 58 58 GLN HG2 H 2.3670 0.0600 1 574 58 58 GLN HG3 H 2.3670 0.0600 1 575 58 58 GLN CA C 55.6450 0.2928 1 576 58 58 GLN CB C 29.3860 0.2928 1 577 58 58 GLN CG C 33.6530 0.2928 1 578 58 58 GLN N N 122.4910 0.1167 1 579 59 59 ARG H H 8.3590 0.0600 1 580 59 59 ARG HA H 4.3010 0.0600 1 581 59 59 ARG HB2 H 1.7620 0.0600 2 582 59 59 ARG HB3 H 1.8250 0.0600 2 583 59 59 ARG HG2 H 1.6440 0.0600 1 584 59 59 ARG HG3 H 1.6440 0.0600 1 585 59 59 ARG HD2 H 3.1940 0.0600 1 586 59 59 ARG HD3 H 3.1940 0.0600 1 587 59 59 ARG CA C 56.0530 0.2928 1 588 59 59 ARG CB C 30.7010 0.2928 1 589 59 59 ARG CG C 26.7010 0.2928 1 590 59 59 ARG CD C 43.1740 0.2928 1 591 59 59 ARG N N 122.4910 0.1167 1 592 60 60 ARG H H 8.4300 0.0600 1 593 60 60 ARG HA H 4.3150 0.0600 1 594 60 60 ARG HB2 H 1.7820 0.0600 2 595 60 60 ARG HB3 H 1.8390 0.0600 2 596 60 60 ARG HG2 H 1.6420 0.0600 1 597 60 60 ARG HG3 H 1.6420 0.0600 1 598 60 60 ARG HD2 H 3.1930 0.0600 1 599 60 60 ARG HD3 H 3.1930 0.0600 1 600 60 60 ARG CA C 56.0600 0.2928 1 601 60 60 ARG CB C 30.7160 0.2928 1 602 60 60 ARG CD C 43.1610 0.2928 1 603 60 60 ARG N N 122.9830 0.1167 1 604 61 61 ARG H H 8.4820 0.0600 1 605 61 61 ARG HA H 4.3460 0.0600 1 606 61 61 ARG HB2 H 1.7730 0.0600 1 607 61 61 ARG HB3 H 1.8770 0.0600 1 608 61 61 ARG HG2 H 1.6270 0.0600 1 609 61 61 ARG HG3 H 1.6270 0.0600 1 610 61 61 ARG HD2 H 3.1990 0.0600 1 611 61 61 ARG HD3 H 3.1990 0.0600 1 612 61 61 ARG CA C 56.0470 0.2928 1 613 61 61 ARG CB C 30.7790 0.2928 1 614 61 61 ARG CD C 43.1560 0.2928 1 615 61 61 ARG N N 123.2320 0.1167 1 616 62 62 GLY H H 8.1660 0.0600 1 617 62 62 GLY CA C 45.4430 0.2928 1 618 62 62 GLY N N 115.1070 0.1167 1 stop_ save_