data_15807 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Solution Structure of gpV, the Major Tail Protein from Bacteriophage Lambda ; _BMRB_accession_number 15807 _BMRB_flat_file_name bmr15807.str _Entry_type original _Submission_date 2008-06-16 _Accession_date 2008-06-16 _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 Pell Lisa G. . 2 Kanelis Voula . . 3 Howell 'P. Lynne' . . 4 Davidson Alan R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 764 "13C chemical shifts" 539 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-05-04 update BMRB 'complete entry citation' 2008-11-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The phage lambda major tail protein structure reveals a common evolution for long-tailed phages and the type VI bacterial secretion system ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19251647 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pell Lisa G. . 2 Kanelis Voula . . 3 Donaldson Logan W. . 4 Howell Lynne . . 5 Davidson Alan R. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. USA' _Journal_name_full 'Proceedings of the National Academy of Science of the United States of America' _Journal_volume 106 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4160 _Page_last 4165 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name gpV _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label gpV_protein $gpV_protein 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_gpV_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gpV_protein _Molecular_mass 16896.908 _Mol_thiol_state 'not present' loop_ _Biological_function 'Major Tail Protein from Bacteriophage Lambda' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; GAMMPVPNPTMPVKGAGTTL WVYKGSGDPYANPLSDVDWS RLAKVKDLTPGELTAESYDD SYLDDEDADWTATGQGQKSA GDTSFTLAWMPGEQGQQALL AWFNEGDTRAYKIRFPNGTV DVFRGWVSSIGKAVTAKEVI TRTVKVTNVGRPSMAE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 MET 5 PRO 6 VAL 7 PRO 8 ASN 9 PRO 10 THR 11 MET 12 PRO 13 VAL 14 LYS 15 GLY 16 ALA 17 GLY 18 THR 19 THR 20 LEU 21 TRP 22 VAL 23 TYR 24 LYS 25 GLY 26 SER 27 GLY 28 ASP 29 PRO 30 TYR 31 ALA 32 ASN 33 PRO 34 LEU 35 SER 36 ASP 37 VAL 38 ASP 39 TRP 40 SER 41 ARG 42 LEU 43 ALA 44 LYS 45 VAL 46 LYS 47 ASP 48 LEU 49 THR 50 PRO 51 GLY 52 GLU 53 LEU 54 THR 55 ALA 56 GLU 57 SER 58 TYR 59 ASP 60 ASP 61 SER 62 TYR 63 LEU 64 ASP 65 ASP 66 GLU 67 ASP 68 ALA 69 ASP 70 TRP 71 THR 72 ALA 73 THR 74 GLY 75 GLN 76 GLY 77 GLN 78 LYS 79 SER 80 ALA 81 GLY 82 ASP 83 THR 84 SER 85 PHE 86 THR 87 LEU 88 ALA 89 TRP 90 MET 91 PRO 92 GLY 93 GLU 94 GLN 95 GLY 96 GLN 97 GLN 98 ALA 99 LEU 100 LEU 101 ALA 102 TRP 103 PHE 104 ASN 105 GLU 106 GLY 107 ASP 108 THR 109 ARG 110 ALA 111 TYR 112 LYS 113 ILE 114 ARG 115 PHE 116 PRO 117 ASN 118 GLY 119 THR 120 VAL 121 ASP 122 VAL 123 PHE 124 ARG 125 GLY 126 TRP 127 VAL 128 SER 129 SER 130 ILE 131 GLY 132 LYS 133 ALA 134 VAL 135 THR 136 ALA 137 LYS 138 GLU 139 VAL 140 ILE 141 THR 142 ARG 143 THR 144 VAL 145 LYS 146 VAL 147 THR 148 ASN 149 VAL 150 GLY 151 ARG 152 PRO 153 SER 154 MET 155 ALA 156 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 2K4Q "The Solution Structure Of Gpv, The Major Tail Protein From Bacteriophage Lambda" 100.00 156 100.00 100.00 5.36e-108 DBJ BAG76128 "putative phage tail fiber component [Escherichia coli SE11]" 98.08 246 99.35 99.35 1.69e-106 DBJ BAG77176 "putative phage tail component [Escherichia coli SE11]" 98.08 246 99.35 99.35 2.06e-106 DBJ BAG77580 "putative phage tail component [Escherichia coli SE11]" 98.08 246 100.00 100.00 3.05e-107 DBJ BAI23948 "putative major tail protein [Escherichia coli O26:H11 str. 11368]" 98.08 246 99.35 99.35 2.08e-106 DBJ BAI29415 "putative major tail protein [Escherichia coli O103:H2 str. 12009]" 93.59 239 100.00 100.00 3.28e-101 EMBL CAP75673 "tail component of prophage [Escherichia coli LF82]" 98.08 246 99.35 100.00 1.48e-106 EMBL CAQ31259 "enterobacteria phage lambda, tail component [Escherichia coli BL21(DE3)]" 98.08 246 100.00 100.00 4.57e-107 EMBL CAQ97657 "Major tail protein V [Escherichia coli IAI1]" 98.08 256 100.00 100.00 3.01e-107 EMBL CAQ98435 "Major tail protein V [Escherichia coli IAI1]" 98.08 256 99.35 100.00 1.07e-106 EMBL CAR01926 "Major tail protein V [Escherichia coli S88]" 98.08 256 99.35 100.00 1.50e-106 GB AAA96545 "V (tail component;256) [Enterobacteria phage lambda]" 98.08 246 100.00 100.00 4.57e-107 GB AAN81615 "Putative tail component of prophage [Escherichia coli CFT073]" 98.08 256 97.39 97.39 1.24e-103 GB AAZ89061 "putative tail component of prophage [Shigella sonnei Ss046]" 98.08 246 100.00 100.00 4.87e-107 GB ABG69188 "major tail protein V [Escherichia coli 536]" 98.08 246 98.69 98.69 1.02e-105 GB ACA77741 "Ig domain protein group 2 domain protein [Escherichia coli ATCC 8739]" 98.08 246 98.04 98.69 1.22e-104 REF NP_040592 "tail component [Enterobacteria phage lambda]" 98.08 246 100.00 100.00 4.57e-107 REF WP_000056697 "tail protein [Escherichia coli]" 98.08 256 97.39 98.04 7.49e-104 REF WP_000056728 "tail protein [Escherichia coli]" 98.08 256 98.69 99.35 9.14e-106 REF WP_000112332 "phage tail protein, partial [Escherichia coli]" 77.56 214 98.35 98.35 1.23e-79 REF WP_000223313 "phage tail protein, partial [Escherichia coli]" 62.18 190 98.97 98.97 1.35e-61 SP P03733 "RecName: Full=Tail tube protein; Short=TTP; AltName: Full=Gene product V; Short=gpV; AltName: Full=Major tail protein V [Entero" 98.08 246 100.00 100.00 4.57e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gpV_protein 'E. coli' 562 Eubacteria . 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 $gpV_protein 'recombinant technology' . Escherichia coli . pET32b 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 'sodium phosphate' 50 mM 'natural abundance' DSS 0.6 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' D2O 8-10 % 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' $gpV_protein 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $gpV_protein 1 mM '[U-100% 13C; U-100% 15N]' D2O 90-99 % 'natural abundance' DSS 0.6 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D C(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 gpV_protein _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 3 3 MET HA H 4.422 . 1 2 3 3 MET HB2 H 2.037 . 2 3 3 3 MET HB3 H 1.940 . 2 4 3 3 MET HG2 H 2.527 . 2 5 3 3 MET HG3 H 2.610 . 2 6 3 3 MET C C 175.907 . 1 7 3 3 MET CA C 55.397 . 1 8 3 3 MET CB C 32.733 . 1 9 3 3 MET CG C 31.864 . 1 10 4 4 MET H H 8.380 . 1 11 4 4 MET CA C 53.209 . 1 12 4 4 MET CB C 32.687 . 1 13 4 4 MET N N 125.017 . 1 14 5 5 PRO HA H 4.412 . 1 15 5 5 PRO HB2 H 2.239 . 2 16 5 5 PRO HB3 H 1.826 . 2 17 5 5 PRO HD2 H 3.829 . 2 18 5 5 PRO HD3 H 3.650 . 2 19 5 5 PRO HG2 H 1.991 . 2 20 5 5 PRO HG3 H 1.990 . 2 21 5 5 PRO CA C 63.026 . 1 22 5 5 PRO CB C 31.917 . 1 23 5 5 PRO CD C 50.569 . 1 24 5 5 PRO CG C 27.346 . 1 25 6 6 VAL H H 8.202 . 1 26 6 6 VAL HA H 4.367 . 1 27 6 6 VAL HB H 2.039 . 1 28 6 6 VAL HG1 H 0.932 . 2 29 6 6 VAL HG2 H 0.931 . 2 30 6 6 VAL CA C 59.772 . 1 31 6 6 VAL CB C 32.975 . 1 32 6 6 VAL N N 123.163 . 1 33 7 7 PRO HA H 4.724 . 1 34 7 7 PRO HB2 H 2.038 . 2 35 7 7 PRO HB3 H 2.339 . 2 36 7 7 PRO HD2 H 3.556 . 2 37 7 7 PRO HD3 H 3.468 . 2 38 7 7 PRO HG2 H 1.772 . 2 39 7 7 PRO HG3 H 1.912 . 2 40 7 7 PRO C C 175.285 . 1 41 7 7 PRO CA C 63.041 . 1 42 7 7 PRO CB C 34.585 . 1 43 7 7 PRO CD C 49.825 . 1 44 7 7 PRO CG C 24.987 . 1 45 7 7 PRO N N 141.218 . 1 46 8 8 ASN H H 8.638 . 1 47 8 8 ASN HA H 4.914 . 1 48 8 8 ASN HB2 H 2.655 . 2 49 8 8 ASN HB3 H 2.810 . 2 50 8 8 ASN CA C 51.541 . 1 51 8 8 ASN CB C 38.954 . 1 52 8 8 ASN N N 120.939 . 1 53 9 9 PRO HA H 4.422 . 1 54 9 9 PRO HB2 H 2.264 . 2 55 9 9 PRO HB3 H 2.263 . 2 56 9 9 PRO HD2 H 3.738 . 2 57 9 9 PRO HD3 H 3.737 . 2 58 9 9 PRO HG2 H 1.985 . 2 59 9 9 PRO HG3 H 1.984 . 2 60 9 9 PRO C C 176.950 . 1 61 9 9 PRO CA C 63.635 . 1 62 9 9 PRO CB C 32.481 . 1 63 9 9 PRO CD C 50.876 . 1 64 9 9 PRO CG C 27.236 . 1 65 9 9 PRO N N 138.875 . 1 66 10 10 THR H H 8.206 . 1 67 10 10 THR HA H 4.249 . 1 68 10 10 THR HB H 4.144 . 1 69 10 10 THR HG2 H 1.182 . 1 70 10 10 THR C C 174.313 . 1 71 10 10 THR CA C 62.002 . 1 72 10 10 THR CB C 69.661 . 1 73 10 10 THR CG2 C 21.867 . 1 74 10 10 THR N N 115.643 . 1 75 11 11 MET H H 8.178 . 1 76 11 11 MET HA H 4.777 . 1 77 11 11 MET HB2 H 1.929 . 2 78 11 11 MET HB3 H 2.045 . 2 79 11 11 MET HG2 H 2.537 . 2 80 11 11 MET HG3 H 2.605 . 2 81 11 11 MET CA C 53.215 . 1 82 11 11 MET CB C 32.433 . 1 83 11 11 MET CG C 32.268 . 1 84 11 11 MET N N 125.521 . 1 85 12 12 PRO HA H 4.430 . 1 86 12 12 PRO HB2 H 2.220 . 2 87 12 12 PRO HB3 H 1.849 . 2 88 12 12 PRO HD2 H 3.819 . 2 89 12 12 PRO HD3 H 3.652 . 2 90 12 12 PRO HG2 H 1.995 . 2 91 12 12 PRO HG3 H 1.994 . 2 92 12 12 PRO C C 176.715 . 1 93 12 12 PRO CA C 63.103 . 1 94 12 12 PRO CB C 32.164 . 1 95 12 12 PRO CD C 50.592 . 1 96 12 12 PRO CG C 27.400 . 1 97 12 12 PRO N N 139.222 . 1 98 13 13 VAL H H 8.249 . 1 99 13 13 VAL HA H 4.045 . 1 100 13 13 VAL HB H 2.046 . 1 101 13 13 VAL HG1 H 0.946 . 2 102 13 13 VAL HG2 H 0.947 . 4 103 13 13 VAL C C 176.324 . 1 104 13 13 VAL CA C 62.577 . 1 105 13 13 VAL CB C 32.741 . 1 106 13 13 VAL CG1 C 21.045 . 2 107 13 13 VAL CG2 C 21.045 . 2 108 13 13 VAL N N 122.455 . 1 109 14 14 LYS H H 8.413 . 1 110 14 14 LYS HA H 4.292 . 1 111 14 14 LYS HB2 H 1.808 . 2 112 14 14 LYS HB3 H 1.807 . 2 113 14 14 LYS HD2 H 1.677 . 2 114 14 14 LYS HD3 H 1.676 . 2 115 14 14 LYS HE2 H 2.971 . 2 116 14 14 LYS HE3 H 2.970 . 2 117 14 14 LYS HG2 H 1.422 . 2 118 14 14 LYS HG3 H 1.421 . 2 119 14 14 LYS C C 177.042 . 1 120 14 14 LYS CA C 56.453 . 1 121 14 14 LYS CB C 32.958 . 1 122 14 14 LYS CD C 29.140 . 1 123 14 14 LYS CE C 42.001 . 1 124 14 14 LYS CG C 24.848 . 1 125 14 14 LYS N N 127.035 . 1 126 15 15 GLY H H 8.500 . 1 127 15 15 GLY HA2 H 3.957 . 2 128 15 15 GLY HA3 H 3.956 . 2 129 15 15 GLY C C 173.927 . 1 130 15 15 GLY CA C 45.324 . 1 131 15 15 GLY N N 112.296 . 1 132 16 16 ALA H H 8.250 . 1 133 16 16 ALA HA H 4.326 . 1 134 16 16 ALA HB H 1.435 . 1 135 16 16 ALA C C 178.034 . 1 136 16 16 ALA CA C 52.663 . 1 137 16 16 ALA CB C 19.850 . 1 138 16 16 ALA N N 125.364 . 1 139 17 17 GLY H H 8.333 . 1 140 17 17 GLY HA2 H 3.996 . 2 141 17 17 GLY HA3 H 3.995 . 2 142 17 17 GLY C C 172.688 . 1 143 17 17 GLY CA C 45.478 . 1 144 17 17 GLY N N 108.634 . 1 145 18 18 THR H H 8.501 . 1 146 18 18 THR HA H 5.200 . 1 147 18 18 THR HB H 4.085 . 1 148 18 18 THR HG2 H 0.859 . 1 149 18 18 THR C C 175.468 . 1 150 18 18 THR CA C 61.851 . 1 151 18 18 THR CB C 68.968 . 1 152 18 18 THR CG2 C 22.602 . 1 153 18 18 THR N N 121.548 . 1 154 19 19 THR H H 8.849 . 1 155 19 19 THR HA H 4.953 . 1 156 19 19 THR HB H 3.854 . 1 157 19 19 THR HG2 H 1.159 . 1 158 19 19 THR C C 171.526 . 1 159 19 19 THR CA C 59.805 . 1 160 19 19 THR CB C 72.886 . 1 161 19 19 THR N N 117.869 . 1 162 20 20 LEU H H 8.160 . 1 163 20 20 LEU HA H 5.419 . 1 164 20 20 LEU HB2 H 0.868 . 2 165 20 20 LEU HB3 H 1.337 . 2 166 20 20 LEU HD1 H 0.390 . 2 167 20 20 LEU HD2 H 0.750 . 4 168 20 20 LEU HG H 1.492 . 1 169 20 20 LEU C C 175.239 . 1 170 20 20 LEU CA C 53.756 . 1 171 20 20 LEU CB C 45.553 . 1 172 20 20 LEU CD1 C 26.686 . 1 173 20 20 LEU CD2 C 25.290 . 1 174 20 20 LEU CG C 27.995 . 1 175 20 20 LEU N N 124.501 . 1 176 21 21 TRP H H 9.595 . 1 177 21 21 TRP HA H 5.536 . 1 178 21 21 TRP HB2 H 3.412 . 2 179 21 21 TRP HB3 H 2.984 . 2 180 21 21 TRP HD1 H 6.896 . 1 181 21 21 TRP HE1 H 10.684 . 9 182 21 21 TRP HZ2 H 7.379 . 4 183 21 21 TRP C C 174.611 . 1 184 21 21 TRP CA C 55.899 . 1 185 21 21 TRP CB C 32.975 . 1 186 21 21 TRP CD1 C 125.514 . 9 187 21 21 TRP CZ2 C 114.053 . 9 188 21 21 TRP N N 128.774 . 1 189 21 21 TRP NE1 N 131.121 . 1 190 22 22 VAL H H 9.706 . 1 191 22 22 VAL HA H 5.311 . 1 192 22 22 VAL HB H 1.667 . 1 193 22 22 VAL HG1 H 0.317 . 4 194 22 22 VAL HG2 H 0.709 . 4 195 22 22 VAL C C 173.127 . 1 196 22 22 VAL CA C 59.772 . 1 197 22 22 VAL CB C 36.256 . 1 198 22 22 VAL CG1 C 21.765 . 1 199 22 22 VAL CG2 C 19.853 . 2 200 22 22 VAL N N 121.802 . 1 201 23 23 TYR H H 8.676 . 1 202 23 23 TYR HB2 H 2.453 . 2 203 23 23 TYR HB3 H 2.454 . 2 204 23 23 TYR N N 132.248 . 1 205 25 25 GLY HA2 H 4.045 . 2 206 25 25 GLY HA3 H 2.988 . 2 207 25 25 GLY C C 172.044 . 1 208 25 25 GLY CA C 44.459 . 1 209 26 26 SER H H 8.698 . 1 210 26 26 SER HA H 4.733 . 1 211 26 26 SER HB2 H 3.924 . 2 212 26 26 SER HB3 H 3.729 . 2 213 26 26 SER C C 174.554 . 1 214 26 26 SER CA C 56.894 . 1 215 26 26 SER CB C 64.176 . 1 216 26 26 SER N N 113.857 . 1 217 27 27 GLY H H 8.003 . 1 218 27 27 GLY HA2 H 4.466 . 2 219 27 27 GLY HA3 H 3.526 . 2 220 27 27 GLY CA C 44.562 . 1 221 27 27 GLY N N 114.426 . 1 222 29 29 PRO C C 175.101 . 1 223 29 29 PRO CA C 64.134 . 1 224 29 29 PRO CG C 25.421 . 1 225 30 30 TYR H H 7.648 . 1 226 30 30 TYR HA H 3.980 . 1 227 30 30 TYR HB2 H 2.951 . 2 228 30 30 TYR HB3 H 2.950 . 2 229 30 30 TYR HD1 H 7.064 . 3 230 30 30 TYR HD2 H 7.064 . 3 231 30 30 TYR HE1 H 6.543 . 3 232 30 30 TYR HE2 H 6.543 . 3 233 30 30 TYR C C 177.372 . 1 234 30 30 TYR CA C 59.149 . 1 235 30 30 TYR CB C 37.831 . 1 236 30 30 TYR N N 113.102 . 1 237 31 31 ALA H H 7.261 . 1 238 31 31 ALA HA H 4.076 . 1 239 31 31 ALA HB H 1.464 . 1 240 31 31 ALA C C 178.437 . 1 241 31 31 ALA CA C 55.397 . 1 242 31 31 ALA CB C 18.756 . 1 243 31 31 ALA N N 124.316 . 1 244 32 32 ASN H H 8.490 . 1 245 32 32 ASN HA H 5.071 . 1 246 32 32 ASN HB2 H 2.590 . 2 247 32 32 ASN HB3 H 2.831 . 2 248 32 32 ASN HD21 H 6.855 . 2 249 32 32 ASN HD22 H 7.694 . 2 250 32 32 ASN CA C 51.779 . 1 251 32 32 ASN CB C 38.575 . 1 252 32 32 ASN N N 113.454 . 1 253 32 32 ASN ND2 N 112.946 . 1 254 33 33 PRO HB2 H 1.402 . 2 255 33 33 PRO HB3 H 1.401 . 2 256 33 33 PRO HD2 H 3.562 . 2 257 33 33 PRO HD3 H 3.381 . 2 258 33 33 PRO HG2 H 1.850 . 2 259 33 33 PRO HG3 H 1.664 . 2 260 33 33 PRO CA C 64.145 . 1 261 33 33 PRO CB C 31.845 . 1 262 33 33 PRO CD C 50.132 . 1 263 33 33 PRO CG C 27.037 . 1 264 34 34 LEU H H 7.750 . 1 265 34 34 LEU HA H 3.733 . 1 266 34 34 LEU HB2 H 1.698 . 2 267 34 34 LEU HB3 H 1.425 . 2 268 34 34 LEU HD1 H 0.791 . 2 269 34 34 LEU HD2 H 0.792 . 2 270 34 34 LEU HG H 0.813 . 1 271 34 34 LEU C C 178.295 . 1 272 34 34 LEU CA C 56.491 . 1 273 34 34 LEU CB C 40.631 . 1 274 34 34 LEU CD1 C 23.421 . 1 275 34 34 LEU CD2 C 23.421 . 1 276 34 34 LEU CG C 25.126 . 1 277 34 34 LEU N N 120.021 . 1 278 35 35 SER H H 7.115 . 1 279 35 35 SER HB2 H 3.818 . 2 280 35 35 SER HB3 H 3.819 . 2 281 35 35 SER CA C 58.336 . 1 282 35 35 SER CB C 63.600 . 1 283 35 35 SER N N 114.212 . 1 284 36 36 ASP H H 8.389 . 1 285 36 36 ASP HA H 4.305 . 1 286 36 36 ASP CA C 56.303 . 1 287 36 36 ASP N N 123.980 . 1 288 37 37 VAL CA C 63.286 . 1 289 37 37 VAL CB C 32.163 . 1 290 38 38 ASP H H 8.451 . 1 291 38 38 ASP HB2 H 2.788 . 2 292 38 38 ASP HB3 H 2.660 . 2 293 38 38 ASP CA C 55.357 . 1 294 38 38 ASP CB C 38.651 . 1 295 38 38 ASP N N 121.307 . 1 296 39 39 TRP H H 7.967 . 1 297 39 39 TRP HD1 H 7.205 . 1 298 39 39 TRP HE1 H 11.577 . 9 299 39 39 TRP HZ2 H 7.655 . 4 300 39 39 TRP N N 123.277 . 1 301 39 39 TRP NE1 N 136.053 . 1 302 40 40 SER H H 9.705 . 1 303 40 40 SER HA H 5.004 . 1 304 40 40 SER HB2 H 3.736 . 2 305 40 40 SER HB3 H 3.537 . 2 306 40 40 SER C C 173.675 . 1 307 40 40 SER CA C 56.491 . 1 308 40 40 SER CB C 64.694 . 1 309 40 40 SER N N 117.835 . 1 310 41 41 ARG H H 8.842 . 1 311 41 41 ARG HA H 2.952 . 1 312 41 41 ARG HB2 H 1.018 . 2 313 41 41 ARG HB3 H -0.289 . 2 314 41 41 ARG HD2 H 2.765 . 2 315 41 41 ARG HD3 H 2.690 . 2 316 41 41 ARG HG2 H 0.725 . 2 317 41 41 ARG HG3 H 0.034 . 2 318 41 41 ARG CA C 57.284 . 1 319 41 41 ARG CB C 28.820 . 1 320 41 41 ARG CD C 43.433 . 1 321 41 41 ARG CG C 26.996 . 1 322 41 41 ARG N N 132.909 . 1 323 42 42 LEU H H 9.378 . 1 324 42 42 LEU HA H 4.712 . 1 325 42 42 LEU HB2 H 1.556 . 2 326 42 42 LEU HB3 H 1.257 . 2 327 42 42 LEU HD2 H 0.952 . 2 328 42 42 LEU HG H 0.988 . 1 329 42 42 LEU C C 175.950 . 1 330 42 42 LEU CA C 56.091 . 1 331 42 42 LEU CB C 44.666 . 1 332 42 42 LEU CD1 C 23.823 . 2 333 42 42 LEU CD2 C 23.823 . 1 334 42 42 LEU CG C 26.841 . 1 335 42 42 LEU N N 129.859 . 1 336 43 43 ALA H H 7.191 . 1 337 43 43 ALA HA H 4.125 . 1 338 43 43 ALA HB H 0.874 . 1 339 43 43 ALA C C 175.617 . 1 340 43 43 ALA CA C 52.663 . 1 341 43 43 ALA CB C 25.866 . 1 342 43 43 ALA N N 114.859 . 1 343 44 44 LYS H H 6.919 . 1 344 44 44 LYS HA H 4.508 . 1 345 44 44 LYS HB2 H 1.581 . 2 346 44 44 LYS HB3 H 1.651 . 2 347 44 44 LYS HD2 H 1.586 . 2 348 44 44 LYS HD3 H 1.587 . 2 349 44 44 LYS HE2 H 2.891 . 2 350 44 44 LYS HE3 H 2.890 . 2 351 44 44 LYS HG2 H 1.460 . 2 352 44 44 LYS HG3 H 1.153 . 2 353 44 44 LYS C C 174.745 . 1 354 44 44 LYS CA C 55.944 . 1 355 44 44 LYS CB C 34.069 . 1 356 44 44 LYS CD C 29.361 . 1 357 44 44 LYS CE C 41.764 . 1 358 44 44 LYS CG C 25.576 . 1 359 44 44 LYS N N 120.377 . 1 360 45 45 VAL H H 8.487 . 1 361 45 45 VAL HA H 4.074 . 1 362 45 45 VAL HB H 1.654 . 1 363 45 45 VAL HG1 H 0.523 . 2 364 45 45 VAL HG2 H 0.887 . 2 365 45 45 VAL C C 175.290 . 1 366 45 45 VAL CA C 61.413 . 1 367 45 45 VAL CB C 32.428 . 1 368 45 45 VAL CG1 C 21.114 . 2 369 45 45 VAL CG2 C 22.786 . 2 370 45 45 VAL N N 125.519 . 1 371 46 46 LYS H H 8.896 . 1 372 46 46 LYS HA H 4.245 . 1 373 46 46 LYS HB2 H 1.565 . 2 374 46 46 LYS HB3 H 1.365 . 2 375 46 46 LYS HD2 H 1.270 . 2 376 46 46 LYS HD3 H 1.271 . 2 377 46 46 LYS HE2 H 2.837 . 2 378 46 46 LYS HE3 H 2.881 . 2 379 46 46 LYS HG2 H 1.045 . 2 380 46 46 LYS HG3 H 0.889 . 2 381 46 46 LYS C C 175.823 . 1 382 46 46 LYS CA C 57.038 . 1 383 46 46 LYS CB C 33.522 . 1 384 46 46 LYS CD C 24.825 . 1 385 46 46 LYS CE C 41.242 . 1 386 46 46 LYS N N 130.756 . 1 387 47 47 ASP H H 7.898 . 1 388 47 47 ASP HA H 4.624 . 1 389 47 47 ASP HB2 H 2.571 . 2 390 47 47 ASP HB3 H 2.662 . 2 391 47 47 ASP C C 173.628 . 1 392 47 47 ASP CA C 54.303 . 1 393 47 47 ASP CB C 43.366 . 1 394 47 47 ASP N N 116.840 . 1 395 48 48 LEU H H 8.311 . 1 396 48 48 LEU HA H 4.794 . 1 397 48 48 LEU HB2 H 1.328 . 2 398 48 48 LEU HB3 H 1.664 . 2 399 48 48 LEU HD1 H 0.890 . 2 400 48 48 LEU HD2 H 0.891 . 2 401 48 48 LEU C C 175.700 . 1 402 48 48 LEU CA C 55.397 . 1 403 48 48 LEU CB C 45.006 . 1 404 48 48 LEU CD1 C 25.620 . 2 405 48 48 LEU CD2 C 25.444 . 2 406 48 48 LEU CG C 27.274 . 1 407 48 48 LEU N N 123.585 . 1 408 49 49 THR H H 8.642 . 1 409 49 49 THR HA H 4.688 . 1 410 49 49 THR HB H 3.958 . 1 411 49 49 THR HG2 H 1.138 . 1 412 49 49 THR CA C 59.246 . 1 413 49 49 THR CB C 70.737 . 1 414 49 49 THR N N 121.461 . 1 415 50 50 PRO HA H 4.334 . 1 416 50 50 PRO HB2 H 1.836 . 2 417 50 50 PRO HB3 H 2.216 . 2 418 50 50 PRO HD2 H 3.681 . 2 419 50 50 PRO HD3 H 3.681 . 2 420 50 50 PRO HG2 H 1.997 . 2 421 50 50 PRO HG3 H 1.997 . 2 422 50 50 PRO C C 177.131 . 1 423 50 50 PRO CA C 63.154 . 1 424 50 50 PRO CB C 32.155 . 1 425 50 50 PRO CD C 51.191 . 1 426 50 50 PRO CG C 27.291 . 1 427 51 51 GLY H H 8.346 . 1 428 51 51 GLY HA2 H 3.921 . 2 429 51 51 GLY HA3 H 3.770 . 2 430 51 51 GLY C C 174.093 . 1 431 51 51 GLY CA C 45.553 . 1 432 51 51 GLY N N 111.680 . 1 433 52 52 GLU H H 8.230 . 1 434 52 52 GLU HA H 4.243 . 1 435 52 52 GLU HB2 H 2.001 . 2 436 52 52 GLU HB3 H 1.890 . 2 437 52 52 GLU HG2 H 2.211 . 2 438 52 52 GLU HG3 H 2.210 . 2 439 52 52 GLU C C 176.514 . 1 440 52 52 GLU CA C 56.433 . 1 441 52 52 GLU CB C 30.411 . 1 442 52 52 GLU CG C 36.109 . 1 443 52 52 GLU N N 121.936 . 1 444 53 53 LEU H H 8.329 . 1 445 53 53 LEU HA H 4.395 . 1 446 53 53 LEU HB2 H 1.630 . 2 447 53 53 LEU HB3 H 1.551 . 2 448 53 53 LEU HD1 H 0.861 . 2 449 53 53 LEU HD2 H 0.862 . 4 450 53 53 LEU HG H 1.597 . 1 451 53 53 LEU C C 177.376 . 1 452 53 53 LEU CA C 55.397 . 1 453 53 53 LEU CB C 42.272 . 1 454 53 53 LEU CD1 C 25.069 . 2 455 53 53 LEU CD2 C 23.612 . 2 456 53 53 LEU CG C 27.064 . 1 457 53 53 LEU N N 124.343 . 1 458 54 54 THR H H 8.105 . 1 459 54 54 THR HA H 4.297 . 1 460 54 54 THR HB H 4.297 . 1 461 54 54 THR HG2 H 1.174 . 1 462 54 54 THR C C 174.269 . 1 463 54 54 THR CA C 61.435 . 1 464 54 54 THR CB C 70.186 . 1 465 54 54 THR CG2 C 21.739 . 1 466 54 54 THR N N 116.475 . 1 467 55 55 ALA H H 8.314 . 1 468 55 55 ALA HA H 4.267 . 1 469 55 55 ALA HB H 1.346 . 1 470 55 55 ALA C C 177.755 . 1 471 55 55 ALA CA C 52.663 . 1 472 55 55 ALA CB C 19.303 . 1 473 55 55 ALA N N 127.599 . 1 474 56 56 GLU H H 8.351 . 1 475 56 56 GLU HA H 4.204 . 1 476 56 56 GLU HB2 H 1.880 . 2 477 56 56 GLU HB3 H 1.881 . 2 478 56 56 GLU HG2 H 2.209 . 2 479 56 56 GLU HG3 H 2.208 . 2 480 56 56 GLU C C 176.296 . 1 481 56 56 GLU CA C 57.038 . 1 482 56 56 GLU CB C 30.241 . 1 483 56 56 GLU CG C 36.127 . 1 484 56 56 GLU N N 121.116 . 1 485 57 57 SER H H 8.119 . 1 486 57 57 SER HA H 4.363 . 1 487 57 57 SER HB2 H 3.744 . 2 488 57 57 SER HB3 H 3.745 . 2 489 57 57 SER C C 173.958 . 1 490 57 57 SER CA C 58.160 . 1 491 57 57 SER CB C 64.168 . 1 492 57 57 SER N N 117.408 . 1 493 58 58 TYR H H 8.150 . 1 494 58 58 TYR HA H 4.545 . 1 495 58 58 TYR HB2 H 3.019 . 2 496 58 58 TYR HB3 H 2.872 . 2 497 58 58 TYR HD1 H 7.006 . 3 498 58 58 TYR HD2 H 7.009 . 3 499 58 58 TYR HE1 H 6.725 . 3 500 58 58 TYR HE2 H 6.744 . 3 501 58 58 TYR C C 175.258 . 1 502 58 58 TYR CA C 57.949 . 1 503 58 58 TYR CB C 38.926 . 1 504 58 58 TYR CD1 C 133.313 . 3 505 58 58 TYR CD2 C 133.313 . 3 506 58 58 TYR CE1 C 118.289 . 3 507 58 58 TYR CE2 C 118.289 . 3 508 58 58 TYR N N 123.648 . 1 509 59 59 ASP H H 8.134 . 1 510 59 59 ASP HA H 4.559 . 1 511 59 59 ASP HB2 H 2.636 . 2 512 59 59 ASP HB3 H 2.635 . 2 513 59 59 ASP CA C 54.119 . 1 514 59 59 ASP CB C 41.492 . 1 515 59 59 ASP N N 123.649 . 1 516 60 60 ASP H H 8.219 . 1 517 60 60 ASP HA H 4.520 . 1 518 60 60 ASP HB2 H 2.648 . 2 519 60 60 ASP HB3 H 2.649 . 2 520 60 60 ASP C C 176.672 . 1 521 60 60 ASP CA C 54.312 . 1 522 60 60 ASP CB C 40.651 . 1 523 60 60 ASP N N 122.988 . 1 524 61 61 SER H H 8.269 . 1 525 61 61 SER HA H 4.286 . 1 526 61 61 SER HB2 H 3.781 . 2 527 61 61 SER HB3 H 3.780 . 2 528 61 61 SER CA C 58.956 . 1 529 61 61 SER CB C 63.614 . 1 530 61 61 SER N N 117.380 . 1 531 62 62 TYR H H 7.946 . 1 532 62 62 TYR HA H 4.444 . 1 533 62 62 TYR HB2 H 2.963 . 2 534 62 62 TYR HB3 H 2.962 . 2 535 62 62 TYR HD1 H 7.011 . 3 536 62 62 TYR HD2 H 7.011 . 3 537 62 62 TYR HE1 H 6.736 . 3 538 62 62 TYR HE2 H 6.736 . 3 539 62 62 TYR C C 175.584 . 1 540 62 62 TYR CA C 58.131 . 1 541 62 62 TYR CB C 38.366 . 1 542 62 62 TYR N N 123.179 . 1 543 63 63 LEU H H 7.800 . 1 544 63 63 LEU HA H 4.193 . 1 545 63 63 LEU HB2 H 1.517 . 2 546 63 63 LEU HB3 H 1.446 . 2 547 63 63 LEU HD1 H 0.817 . 2 548 63 63 LEU HD2 H 0.755 . 2 549 63 63 LEU HG H 1.353 . 1 550 63 63 LEU C C 175.913 . 1 551 63 63 LEU CA C 55.071 . 1 552 63 63 LEU CB C 42.582 . 1 553 63 63 LEU CD1 C 25.043 . 2 554 63 63 LEU CD2 C 23.509 . 2 555 63 63 LEU CG C 26.715 . 1 556 63 63 LEU N N 124.719 . 1 557 64 64 ASP H H 8.069 . 1 558 64 64 ASP HA H 4.510 . 1 559 64 64 ASP HB2 H 2.682 . 2 560 64 64 ASP HB3 H 2.557 . 2 561 64 64 ASP CA C 54.292 . 1 562 64 64 ASP CB C 41.174 . 1 563 64 64 ASP N N 122.223 . 1 564 65 65 ASP H H 8.070 . 1 565 65 65 ASP HA H 4.507 . 1 566 65 65 ASP HB2 H 2.616 . 2 567 65 65 ASP HB3 H 2.616 . 2 568 65 65 ASP CA C 54.430 . 1 569 65 65 ASP CB C 41.303 . 1 570 65 65 ASP N N 122.065 . 1 571 66 66 GLU H H 8.411 . 1 572 66 66 GLU HA H 4.151 . 1 573 66 66 GLU HB2 H 1.920 . 2 574 66 66 GLU HB3 H 2.019 . 2 575 66 66 GLU HG2 H 2.197 . 2 576 66 66 GLU HG3 H 2.198 . 2 577 66 66 GLU C C 176.407 . 1 578 66 66 GLU CA C 57.389 . 1 579 66 66 GLU CB C 30.241 . 1 580 66 66 GLU CG C 36.124 . 1 581 66 66 GLU N N 122.967 . 1 582 67 67 ASP H H 8.265 . 1 583 67 67 ASP HA H 4.550 . 1 584 67 67 ASP HB2 H 2.694 . 2 585 67 67 ASP HB3 H 2.559 . 2 586 67 67 ASP C C 175.987 . 1 587 67 67 ASP CA C 54.267 . 1 588 67 67 ASP CB C 41.151 . 1 589 67 67 ASP N N 121.810 . 1 590 68 68 ALA H H 7.895 . 1 591 68 68 ALA HA H 4.154 . 1 592 68 68 ALA HB H 1.204 . 1 593 68 68 ALA C C 177.384 . 1 594 68 68 ALA CA C 52.715 . 1 595 68 68 ALA CB C 19.354 . 1 596 68 68 ALA N N 125.630 . 1 597 69 69 ASP H H 8.268 . 1 598 69 69 ASP HA H 4.554 . 1 599 69 69 ASP HB2 H 2.658 . 2 600 69 69 ASP HB3 H 2.560 . 2 601 69 69 ASP C C 176.474 . 1 602 69 69 ASP CA C 54.303 . 1 603 69 69 ASP CB C 41.178 . 1 604 69 69 ASP N N 120.696 . 1 605 70 70 TRP H H 8.050 . 1 606 70 70 TRP HA H 4.578 . 1 607 70 70 TRP HB2 H 3.263 . 2 608 70 70 TRP HB3 H 3.264 . 2 609 70 70 TRP HD1 H 7.218 . 1 610 70 70 TRP HE1 H 10.106 . 9 611 70 70 TRP HE3 H 7.509 . 9 612 70 70 TRP HZ2 H 7.413 . 4 613 70 70 TRP C C 176.721 . 1 614 70 70 TRP CA C 58.131 . 1 615 70 70 TRP CB C 29.147 . 1 616 70 70 TRP CD1 C 127.109 . 9 617 70 70 TRP N N 123.762 . 1 618 70 70 TRP NE1 N 131.056 . 1 619 71 71 THR H H 7.863 . 1 620 71 71 THR HA H 4.765 . 1 621 71 71 THR HB H 4.055 . 1 622 71 71 THR HG2 H 0.965 . 1 623 71 71 THR C C 174.309 . 1 624 71 71 THR CA C 62.506 . 1 625 71 71 THR CB C 69.616 . 1 626 71 71 THR CG2 C 21.259 . 1 627 71 71 THR N N 116.336 . 1 628 72 72 ALA H H 7.967 . 1 629 72 72 ALA HA H 4.197 . 1 630 72 72 ALA HB H 1.378 . 1 631 72 72 ALA C C 178.212 . 1 632 72 72 ALA CA C 53.209 . 1 633 72 72 ALA CB C 19.303 . 1 634 72 72 ALA N N 126.785 . 1 635 73 73 THR H H 8.010 . 1 636 73 73 THR HA H 4.325 . 1 637 73 73 THR HB H 4.218 . 1 638 73 73 THR HG2 H 1.175 . 1 639 73 73 THR C C 175.529 . 1 640 73 73 THR CA C 61.959 . 1 641 73 73 THR CB C 70.163 . 1 642 73 73 THR CG2 C 21.724 . 1 643 73 73 THR N N 112.866 . 1 644 74 74 GLY H H 8.322 . 1 645 74 74 GLY HA2 H 3.898 . 2 646 74 74 GLY HA3 H 3.899 . 2 647 74 74 GLY C C 174.126 . 1 648 74 74 GLY CA C 45.806 . 1 649 74 74 GLY N N 112.599 . 1 650 75 75 GLN H H 8.191 . 1 651 75 75 GLN HA H 4.247 . 1 652 75 75 GLN HB2 H 1.912 . 2 653 75 75 GLN HB3 H 2.086 . 2 654 75 75 GLN HG2 H 2.263 . 2 655 75 75 GLN HG3 H 2.264 . 2 656 75 75 GLN C C 176.550 . 1 657 75 75 GLN CA C 55.944 . 1 658 75 75 GLN CB C 29.694 . 1 659 75 75 GLN CG C 33.624 . 1 660 75 75 GLN N N 121.127 . 1 661 76 76 GLY H H 8.440 . 1 662 76 76 GLY HA2 H 3.679 . 2 663 76 76 GLY HA3 H 4.231 . 2 664 76 76 GLY C C 174.677 . 1 665 76 76 GLY CA C 45.593 . 1 666 76 76 GLY N N 111.119 . 1 667 77 77 GLN H H 7.980 . 1 668 77 77 GLN HA H 4.393 . 1 669 77 77 GLN HB2 H 2.336 . 2 670 77 77 GLN HB3 H 2.446 . 2 671 77 77 GLN HE21 H 7.490 . 2 672 77 77 GLN HE22 H 6.898 . 2 673 77 77 GLN HG2 H 2.444 . 2 674 77 77 GLN HG3 H 2.444 . 2 675 77 77 GLN C C 177.685 . 1 676 77 77 GLN CA C 57.038 . 1 677 77 77 GLN CB C 31.334 . 1 678 77 77 GLN CG C 37.504 . 1 679 77 77 GLN N N 122.155 . 1 680 77 77 GLN NE2 N 114.672 . 1 681 78 78 LYS H H 9.008 . 1 682 78 78 LYS HA H 4.349 . 1 683 78 78 LYS HB2 H 1.828 . 2 684 78 78 LYS HB3 H 1.828 . 2 685 78 78 LYS HD2 H 1.661 . 2 686 78 78 LYS HD3 H 1.661 . 2 687 78 78 LYS HE2 H 2.940 . 2 688 78 78 LYS HE3 H 2.940 . 2 689 78 78 LYS HG2 H 1.437 . 2 690 78 78 LYS HG3 H 1.437 . 2 691 78 78 LYS C C 176.456 . 1 692 78 78 LYS CA C 56.401 . 1 693 78 78 LYS CB C 32.989 . 1 694 78 78 LYS CD C 29.121 . 1 695 78 78 LYS CE C 42.001 . 1 696 78 78 LYS CG C 24.869 . 1 697 78 78 LYS N N 125.240 . 1 698 79 79 SER H H 8.377 . 1 699 79 79 SER HA H 4.490 . 1 700 79 79 SER HB2 H 3.839 . 2 701 79 79 SER HB3 H 3.888 . 2 702 79 79 SER C C 174.064 . 1 703 79 79 SER CA C 58.331 . 1 704 79 79 SER CB C 64.349 . 1 705 79 79 SER N N 118.463 . 1 706 80 80 ALA H H 8.417 . 1 707 80 80 ALA HA H 4.417 . 1 708 80 80 ALA HB H 1.354 . 1 709 80 80 ALA C C 177.542 . 1 710 80 80 ALA CA C 52.479 . 1 711 80 80 ALA CB C 19.794 . 1 712 80 80 ALA N N 127.316 . 1 713 81 81 GLY H H 8.257 . 1 714 81 81 GLY HA2 H 3.898 . 2 715 81 81 GLY HA3 H 3.899 . 2 716 81 81 GLY C C 172.701 . 1 717 81 81 GLY CA C 45.006 . 1 718 81 81 GLY N N 109.781 . 1 719 82 82 ASP H H 8.098 . 1 720 82 82 ASP HA H 5.046 . 1 721 82 82 ASP HB2 H 2.325 . 2 722 82 82 ASP HB3 H 2.326 . 2 723 82 82 ASP C C 176.035 . 1 724 82 82 ASP CA C 53.756 . 1 725 82 82 ASP CB C 42.819 . 1 726 82 82 ASP N N 121.105 . 1 727 83 83 THR H H 8.830 . 1 728 83 83 THR HA H 4.192 . 1 729 83 83 THR HB H 3.521 . 1 730 83 83 THR HG2 H 0.349 . 1 731 83 83 THR C C 172.449 . 1 732 83 83 THR CA C 61.927 . 1 733 83 83 THR CB C 70.701 . 1 734 83 83 THR CG2 C 23.158 . 1 735 83 83 THR N N 119.545 . 1 736 84 84 SER H H 8.015 . 1 737 84 84 SER HA H 5.103 . 1 738 84 84 SER HB2 H 3.460 . 2 739 84 84 SER HB3 H 3.605 . 2 740 84 84 SER C C 172.669 . 1 741 84 84 SER CA C 57.038 . 1 742 84 84 SER CB C 64.147 . 1 743 84 84 SER N N 121.702 . 1 744 85 85 PHE H H 9.168 . 1 745 85 85 PHE HA H 5.186 . 1 746 85 85 PHE HB2 H 2.981 . 2 747 85 85 PHE HB3 H 2.655 . 2 748 85 85 PHE HD1 H 6.955 . 3 749 85 85 PHE HD2 H 6.955 . 3 750 85 85 PHE HE1 H 6.966 . 3 751 85 85 PHE HE2 H 6.966 . 3 752 85 85 PHE C C 176.471 . 1 753 85 85 PHE CA C 55.944 . 1 754 85 85 PHE CB C 43.366 . 1 755 85 85 PHE N N 122.846 . 1 756 86 86 THR H H 8.821 . 1 757 86 86 THR HA H 4.661 . 1 758 86 86 THR HB H 3.905 . 1 759 86 86 THR HG2 H 1.036 . 1 760 86 86 THR C C 173.396 . 1 761 86 86 THR CA C 63.528 . 1 762 86 86 THR CB C 67.840 . 1 763 86 86 THR CG2 C 21.731 . 1 764 86 86 THR N N 120.349 . 1 765 87 87 LEU H H 8.860 . 1 766 87 87 LEU HA H 4.841 . 1 767 87 87 LEU HB2 H 2.696 . 2 768 87 87 LEU HB3 H 2.954 . 2 769 87 87 LEU HD1 H 0.437 . 2 770 87 87 LEU HD2 H 0.436 . 2 771 87 87 LEU HG H 0.616 . 1 772 87 87 LEU CA C 52.663 . 1 773 87 87 LEU CB C 42.819 . 1 774 87 87 LEU CD1 C 23.894 . 1 775 87 87 LEU CD2 C 23.894 . 1 776 87 87 LEU CG C 26.936 . 1 777 87 87 LEU N N 129.654 . 1 778 88 88 ALA H H 7.957 . 1 779 88 88 ALA HA H 5.408 . 1 780 88 88 ALA HB H 0.905 . 1 781 88 88 ALA C C 176.079 . 1 782 88 88 ALA CA C 49.928 . 1 783 88 88 ALA CB C 24.225 . 1 784 88 88 ALA N N 121.170 . 1 785 89 89 TRP H H 9.280 . 1 786 89 89 TRP HA H 4.672 . 1 787 89 89 TRP HB2 H 3.349 . 2 788 89 89 TRP HB3 H 2.947 . 2 789 89 89 TRP HD1 H 7.093 . 1 790 89 89 TRP HE1 H 10.721 . 9 791 89 89 TRP HZ2 H 6.867 . 4 792 89 89 TRP HZ3 H 6.558 . 4 793 89 89 TRP C C 175.284 . 1 794 89 89 TRP CA C 59.225 . 1 795 89 89 TRP CB C 32.975 . 1 796 89 89 TRP CD1 C 127.229 . 9 797 89 89 TRP CZ2 C 113.043 . 9 798 89 89 TRP N N 120.987 . 1 799 89 89 TRP NE1 N 132.088 . 1 800 90 90 MET H H 9.175 . 1 801 90 90 MET HA H 4.982 . 1 802 90 90 MET HB2 H 2.234 . 2 803 90 90 MET HB3 H 1.811 . 2 804 90 90 MET HE H 0.870 . 1 805 90 90 MET HG2 H 2.654 . 2 806 90 90 MET HG3 H 2.734 . 2 807 90 90 MET CA C 53.209 . 1 808 90 90 MET CB C 31.334 . 1 809 90 90 MET CG C 32.888 . 1 810 90 90 MET N N 123.952 . 1 811 91 91 PRO HA H 4.272 . 1 812 91 91 PRO HB2 H 1.816 . 2 813 91 91 PRO HB3 H 2.241 . 2 814 91 91 PRO HD2 H 3.961 . 2 815 91 91 PRO HD3 H 3.960 . 2 816 91 91 PRO HG2 H 1.994 . 2 817 91 91 PRO HG3 H 2.198 . 2 818 91 91 PRO C C 177.818 . 1 819 91 91 PRO CA C 64.688 . 1 820 91 91 PRO CB C 31.321 . 1 821 91 91 PRO CD C 50.487 . 1 822 91 91 PRO CG C 28.479 . 1 823 92 92 GLY H H 8.761 . 1 824 92 92 GLY HA2 H 4.255 . 2 825 92 92 GLY HA3 H 3.647 . 2 826 92 92 GLY CA C 45.572 . 1 827 92 92 GLY N N 114.559 . 1 828 93 93 GLU H H 8.190 . 1 829 93 93 GLU HA H 4.291 . 1 830 93 93 GLU HB2 H 1.928 . 2 831 93 93 GLU HB3 H 1.929 . 2 832 93 93 GLU HG2 H 2.273 . 2 833 93 93 GLU HG3 H 2.274 . 2 834 93 93 GLU CA C 55.988 . 1 835 93 93 GLU CB C 29.632 . 1 836 93 93 GLU CG C 33.698 . 1 837 93 93 GLU N N 121.127 . 1 838 94 94 GLN H H 8.389 . 1 839 94 94 GLN HA H 4.428 . 1 840 94 94 GLN HB2 H 2.238 . 2 841 94 94 GLN HB3 H 2.043 . 2 842 94 94 GLN HG2 H 2.469 . 2 843 94 94 GLN HG3 H 2.468 . 2 844 94 94 GLN C C 175.744 . 1 845 94 94 GLN CA C 56.102 . 1 846 94 94 GLN CB C 29.957 . 1 847 94 94 GLN CG C 34.039 . 1 848 94 94 GLN N N 123.980 . 1 849 95 95 GLY H H 8.328 . 1 850 95 95 GLY HA2 H 5.387 . 2 851 95 95 GLY HA3 H 3.787 . 2 852 95 95 GLY C C 175.083 . 1 853 95 95 GLY CA C 46.763 . 1 854 95 95 GLY N N 110.618 . 1 855 96 96 GLN H H 7.753 . 1 856 96 96 GLN HA H 3.342 . 1 857 96 96 GLN HB2 H 0.757 . 2 858 96 96 GLN HB3 H 1.391 . 2 859 96 96 GLN HE21 H 6.017 . 2 860 96 96 GLN HE22 H 6.873 . 2 861 96 96 GLN HG2 H 0.496 . 2 862 96 96 GLN HG3 H 0.495 . 2 863 96 96 GLN C C 177.938 . 1 864 96 96 GLN CA C 60.319 . 1 865 96 96 GLN CB C 28.600 . 1 866 96 96 GLN CG C 34.194 . 1 867 96 96 GLN N N 121.934 . 1 868 96 96 GLN NE2 N 110.430 . 1 869 97 97 GLN H H 8.221 . 1 870 97 97 GLN HA H 3.931 . 1 871 97 97 GLN HB2 H 2.076 . 2 872 97 97 GLN HB3 H 2.077 . 2 873 97 97 GLN HG2 H 2.362 . 2 874 97 97 GLN HG3 H 2.398 . 2 875 97 97 GLN C C 178.785 . 1 876 97 97 GLN CA C 59.141 . 1 877 97 97 GLN CB C 27.734 . 1 878 97 97 GLN CG C 34.129 . 1 879 97 97 GLN N N 118.292 . 1 880 98 98 ALA H H 7.828 . 1 881 98 98 ALA HA H 4.210 . 1 882 98 98 ALA HB H 1.446 . 1 883 98 98 ALA CA C 55.149 . 1 884 98 98 ALA CB C 18.108 . 1 885 98 98 ALA N N 125.295 . 1 886 99 99 LEU H H 7.984 . 1 887 99 99 LEU HA H 4.338 . 1 888 99 99 LEU HB2 H 1.686 . 2 889 99 99 LEU HB3 H 2.266 . 2 890 99 99 LEU CA C 58.474 . 1 891 99 99 LEU CB C 41.882 . 1 892 99 99 LEU N N 123.188 . 1 893 100 100 LEU HA H 3.964 . 1 894 100 100 LEU HB2 H 1.587 . 2 895 100 100 LEU HB3 H 1.794 . 2 896 100 100 LEU HD1 H 0.769 . 2 897 100 100 LEU HD2 H 0.768 . 2 898 100 100 LEU HG H 0.756 . 1 899 100 100 LEU CA C 58.444 . 1 900 100 100 LEU CB C 41.076 . 1 901 100 100 LEU CD1 C 23.157 . 1 902 100 100 LEU CD2 C 23.157 . 1 903 100 100 LEU CG C 24.825 . 1 904 101 101 ALA H H 8.324 . 1 905 101 101 ALA HA H 4.322 . 1 906 101 101 ALA HB H 1.606 . 1 907 101 101 ALA CA C 55.293 . 1 908 101 101 ALA CB C 18.299 . 1 909 101 101 ALA N N 122.891 . 1 910 102 102 TRP H H 7.976 . 1 911 102 102 TRP HA H 5.149 . 1 912 102 102 TRP HB2 H 3.796 . 2 913 102 102 TRP HB3 H 3.328 . 2 914 102 102 TRP HD1 H 7.662 . 1 915 102 102 TRP HE1 H 9.865 . 9 916 102 102 TRP HE3 H 7.148 . 9 917 102 102 TRP C C 179.862 . 1 918 102 102 TRP CA C 58.053 . 1 919 102 102 TRP CB C 29.865 . 1 920 102 102 TRP N N 123.270 . 1 921 102 102 TRP NE1 N 127.956 . 1 922 103 103 PHE H H 8.584 . 1 923 103 103 PHE HA H 4.229 . 1 924 103 103 PHE HB2 H 2.876 . 2 925 103 103 PHE HB3 H 3.237 . 2 926 103 103 PHE HD1 H 7.103 . 3 927 103 103 PHE HD2 H 7.103 . 3 928 103 103 PHE HE1 H 7.096 . 3 929 103 103 PHE HE2 H 7.096 . 3 930 103 103 PHE CA C 61.028 . 1 931 103 103 PHE CB C 39.139 . 1 932 103 103 PHE N N 122.599 . 1 933 104 104 ASN H H 8.934 . 1 934 104 104 ASN HA H 4.038 . 1 935 104 104 ASN HB2 H 2.752 . 2 936 104 104 ASN HB3 H 2.867 . 2 937 104 104 ASN CA C 56.003 . 1 938 104 104 ASN CB C 38.588 . 1 939 104 104 ASN N N 119.177 . 1 940 105 105 GLU H H 8.382 . 1 941 105 105 GLU HA H 4.082 . 1 942 105 105 GLU HB2 H 2.241 . 2 943 105 105 GLU HB3 H 2.327 . 2 944 105 105 GLU HG2 H 2.338 . 2 945 105 105 GLU HG3 H 2.337 . 2 946 105 105 GLU C C 179.245 . 1 947 105 105 GLU CA C 58.735 . 1 948 105 105 GLU CB C 29.702 . 1 949 105 105 GLU CG C 36.453 . 1 950 105 105 GLU N N 121.876 . 1 951 106 106 GLY H H 8.120 . 1 952 106 106 GLY HA2 H 3.828 . 2 953 106 106 GLY HA3 H 4.208 . 2 954 106 106 GLY C C 174.004 . 1 955 106 106 GLY CA C 46.158 . 1 956 106 106 GLY N N 107.044 . 1 957 107 107 ASP H H 9.678 . 1 958 107 107 ASP HA H 4.607 . 1 959 107 107 ASP HB2 H 2.778 . 2 960 107 107 ASP HB3 H 2.779 . 2 961 107 107 ASP C C 175.834 . 1 962 107 107 ASP CA C 53.209 . 1 963 107 107 ASP CB C 40.631 . 1 964 107 107 ASP N N 118.063 . 1 965 108 108 THR H H 8.947 . 1 966 108 108 THR HA H 4.926 . 1 967 108 108 THR HB H 4.159 . 1 968 108 108 THR HG2 H 1.239 . 1 969 108 108 THR C C 174.914 . 1 970 108 108 THR CA C 63.059 . 1 971 108 108 THR CB C 69.075 . 1 972 108 108 THR CG2 C 22.762 . 1 973 108 108 THR N N 121.454 . 1 974 109 109 ARG H H 9.778 . 1 975 109 109 ARG HA H 4.927 . 1 976 109 109 ARG HB2 H 1.232 . 2 977 109 109 ARG HB3 H 1.790 . 2 978 109 109 ARG C C 175.229 . 1 979 109 109 ARG CA C 54.850 . 1 980 109 109 ARG CB C 36.256 . 1 981 109 109 ARG CD C 43.616 . 1 982 109 109 ARG N N 128.690 . 1 983 110 110 ALA H H 8.829 . 1 984 110 110 ALA HA H 5.539 . 1 985 110 110 ALA HB H 1.110 . 1 986 110 110 ALA C C 175.336 . 1 987 110 110 ALA CA C 50.994 . 1 988 110 110 ALA CB C 19.303 . 1 989 110 110 ALA N N 124.304 . 1 990 111 111 TYR H H 9.393 . 1 991 111 111 TYR HA H 5.860 . 1 992 111 111 TYR HB2 H 3.545 . 2 993 111 111 TYR HB3 H 2.998 . 2 994 111 111 TYR C C 171.714 . 1 995 111 111 TYR CA C 55.944 . 1 996 111 111 TYR CB C 40.959 . 1 997 111 111 TYR N N 121.169 . 1 998 112 112 LYS H H 9.795 . 1 999 112 112 LYS HA H 5.751 . 1 1000 112 112 LYS HB2 H 1.371 . 2 1001 112 112 LYS HB3 H 1.370 . 2 1002 112 112 LYS HG2 H 0.587 . 2 1003 112 112 LYS HG3 H 0.588 . 2 1004 112 112 LYS C C 173.215 . 1 1005 112 112 LYS CA C 53.209 . 1 1006 112 112 LYS CB C 36.256 . 1 1007 112 112 LYS CG C 22.499 . 1 1008 112 112 LYS N N 118.560 . 1 1009 113 113 ILE H H 8.705 . 1 1010 113 113 ILE HA H 4.990 . 1 1011 113 113 ILE HB H 1.591 . 1 1012 113 113 ILE HD1 H 1.052 . 1 1013 113 113 ILE HG12 H 1.108 . 1 1014 113 113 ILE HG13 H 1.757 . 1 1015 113 113 ILE HG2 H 0.100 . 1 1016 113 113 ILE C C 174.513 . 1 1017 113 113 ILE CA C 58.779 . 1 1018 113 113 ILE CB C 40.175 . 1 1019 113 113 ILE CD1 C 14.590 . 1 1020 113 113 ILE CG1 C 27.910 . 9 1021 113 113 ILE CG2 C 18.772 . 1 1022 113 113 ILE N N 123.405 . 1 1023 114 114 ARG H H 8.703 . 1 1024 114 114 ARG HA H 4.849 . 1 1025 114 114 ARG C C 175.119 . 1 1026 114 114 ARG CA C 54.303 . 1 1027 114 114 ARG CB C 30.787 . 1 1028 114 114 ARG N N 126.192 . 1 1029 115 115 PHE H H 8.646 . 1 1030 115 115 PHE HA H 4.781 . 1 1031 115 115 PHE HB2 H 2.855 . 2 1032 115 115 PHE HB3 H 3.227 . 2 1033 115 115 PHE HD1 H 7.215 . 3 1034 115 115 PHE HD2 H 7.215 . 3 1035 115 115 PHE HE1 H 7.299 . 3 1036 115 115 PHE HE2 H 7.299 . 3 1037 115 115 PHE CA C 58.131 . 1 1038 115 115 PHE CB C 38.444 . 1 1039 115 115 PHE CD1 C 132.766 . 3 1040 115 115 PHE CD2 C 132.766 . 3 1041 115 115 PHE CE1 C 131.475 . 3 1042 115 115 PHE CE2 C 131.475 . 3 1043 115 115 PHE N N 126.210 . 1 1044 116 116 PRO HA H 4.415 . 1 1045 116 116 PRO HB2 H 1.829 . 2 1046 116 116 PRO HB3 H 2.233 . 2 1047 116 116 PRO HD2 H 3.812 . 2 1048 116 116 PRO HD3 H 3.650 . 2 1049 116 116 PRO HG2 H 1.992 . 2 1050 116 116 PRO HG3 H 1.991 . 2 1051 116 116 PRO C C 176.754 . 1 1052 116 116 PRO CA C 65.563 . 1 1053 116 116 PRO CB C 31.838 . 1 1054 116 116 PRO CG C 27.862 . 1 1055 117 117 ASN H H 7.690 . 1 1056 117 117 ASN HA H 4.608 . 1 1057 117 117 ASN HB2 H 3.271 . 2 1058 117 117 ASN HB3 H 2.856 . 2 1059 117 117 ASN C C 176.337 . 1 1060 117 117 ASN CA C 52.116 . 1 1061 117 117 ASN CB C 37.350 . 1 1062 117 117 ASN N N 114.119 . 1 1063 118 118 GLY H H 8.402 . 1 1064 118 118 GLY HA2 H 4.315 . 2 1065 118 118 GLY HA3 H 3.679 . 2 1066 118 118 GLY C C 174.805 . 1 1067 118 118 GLY CA C 45.553 . 1 1068 118 118 GLY N N 109.651 . 1 1069 119 119 THR H H 7.550 . 1 1070 119 119 THR HA H 4.323 . 1 1071 119 119 THR HB H 4.279 . 1 1072 119 119 THR HG2 H 1.112 . 1 1073 119 119 THR C C 173.358 . 1 1074 119 119 THR CA C 62.638 . 1 1075 119 119 THR CB C 70.874 . 1 1076 119 119 THR CG2 C 22.344 . 1 1077 119 119 THR N N 114.385 . 1 1078 120 120 VAL H H 8.245 . 1 1079 120 120 VAL HA H 5.483 . 1 1080 120 120 VAL HB H 1.505 . 1 1081 120 120 VAL HG1 H 0.411 . 2 1082 120 120 VAL HG2 H 0.520 . 2 1083 120 120 VAL C C 174.445 . 1 1084 120 120 VAL CA C 59.225 . 1 1085 120 120 VAL CB C 35.709 . 1 1086 120 120 VAL CG1 C 21.723 . 1 1087 120 120 VAL CG2 C 21.723 . 1 1088 120 120 VAL N N 118.920 . 1 1089 121 121 ASP H H 8.319 . 1 1090 121 121 ASP HA H 4.987 . 1 1091 121 121 ASP HB2 H 2.543 . 2 1092 121 121 ASP HB3 H 2.544 . 2 1093 121 121 ASP C C 174.017 . 1 1094 121 121 ASP CA C 53.209 . 1 1095 121 121 ASP CB C 45.449 . 1 1096 121 121 ASP N N 126.533 . 1 1097 122 122 VAL H H 7.849 . 1 1098 122 122 VAL HA H 4.384 . 1 1099 122 122 VAL HB H 1.566 . 1 1100 122 122 VAL HG1 H 0.387 . 2 1101 122 122 VAL HG2 H 0.593 . 4 1102 122 122 VAL C C 173.657 . 1 1103 122 122 VAL CA C 61.413 . 1 1104 122 122 VAL CB C 33.522 . 1 1105 122 122 VAL CG1 C 21.568 . 1 1106 122 122 VAL CG2 C 22.499 . 1 1107 122 122 VAL N N 122.828 . 1 1108 123 123 PHE H H 8.906 . 1 1109 123 123 PHE HA H 4.728 . 1 1110 123 123 PHE HB2 H 1.256 . 2 1111 123 123 PHE HB3 H 1.255 . 2 1112 123 123 PHE HD1 H 6.944 . 3 1113 123 123 PHE HD2 H 6.944 . 3 1114 123 123 PHE HE1 H 7.144 . 3 1115 123 123 PHE HE2 H 7.144 . 3 1116 123 123 PHE C C 173.466 . 1 1117 123 123 PHE CA C 55.944 . 1 1118 123 123 PHE CB C 43.912 . 1 1119 123 123 PHE N N 127.593 . 1 1120 124 124 ARG H H 8.445 . 1 1121 124 124 ARG HA H 5.493 . 1 1122 124 124 ARG HB2 H 1.835 . 2 1123 124 124 ARG HB3 H 1.662 . 2 1124 124 124 ARG HD2 H 3.348 . 2 1125 124 124 ARG HD3 H 3.349 . 2 1126 124 124 ARG HG2 H 1.788 . 2 1127 124 124 ARG HG3 H 1.399 . 2 1128 124 124 ARG C C 175.853 . 1 1129 124 124 ARG CA C 55.944 . 1 1130 124 124 ARG CB C 34.069 . 1 1131 124 124 ARG CD C 44.009 . 1 1132 124 124 ARG CG C 28.721 . 1 1133 124 124 ARG N N 118.854 . 1 1134 125 125 GLY H H 9.310 . 1 1135 125 125 GLY HA2 H 4.719 . 2 1136 125 125 GLY HA3 H 4.718 . 2 1137 125 125 GLY C C 169.842 . 1 1138 125 125 GLY CA C 47.554 . 1 1139 125 125 GLY N N 110.769 . 1 1140 126 126 TRP H H 8.593 . 1 1141 126 126 TRP HA H 5.169 . 1 1142 126 126 TRP HB2 H 3.142 . 2 1143 126 126 TRP HB3 H 2.999 . 2 1144 126 126 TRP HE1 H 10.221 . 9 1145 126 126 TRP CA C 54.535 . 1 1146 126 126 TRP CB C 31.334 . 1 1147 126 126 TRP N N 119.982 . 1 1148 126 126 TRP NE1 N 130.848 . 1 1149 127 127 VAL HA H 3.648 . 1 1150 127 127 VAL HB H 1.594 . 1 1151 127 127 VAL HG1 H -0.606 . 2 1152 127 127 VAL HG2 H 0.614 . 2 1153 127 127 VAL CA C 62.803 . 1 1154 127 127 VAL CB C 31.424 . 1 1155 127 127 VAL CG1 C 19.552 . 1 1156 127 127 VAL CG2 C 23.584 . 1 1157 128 128 SER HA H 4.656 . 1 1158 128 128 SER HB2 H 3.587 . 2 1159 128 128 SER HB3 H 2.842 . 2 1160 128 128 SER C C 176.414 . 1 1161 128 128 SER CA C 58.014 . 1 1162 128 128 SER CB C 64.252 . 1 1163 129 129 SER H H 7.664 . 1 1164 129 129 SER HA H 4.497 . 1 1165 129 129 SER HB2 H 3.549 . 2 1166 129 129 SER HB3 H 3.666 . 2 1167 129 129 SER CA C 58.678 . 1 1168 129 129 SER CB C 64.706 . 1 1169 129 129 SER N N 116.450 . 1 1170 130 130 ILE H H 7.980 . 1 1171 130 130 ILE HA H 4.476 . 1 1172 130 130 ILE HB H 1.129 . 1 1173 130 130 ILE HD1 H 0.503 . 1 1174 130 130 ILE HG12 H 0.974 . 1 1175 130 130 ILE HG13 H 0.459 . 1 1176 130 130 ILE HG2 H 0.402 . 1 1177 130 130 ILE C C 173.943 . 1 1178 130 130 ILE CA C 60.025 . 1 1179 130 130 ILE CB C 41.031 . 1 1180 130 130 ILE CD1 C 15.203 . 1 1181 130 130 ILE CG1 C 27.257 . 9 1182 130 130 ILE CG2 C 17.382 . 1 1183 130 130 ILE N N 122.154 . 1 1184 131 131 GLY H H 8.739 . 1 1185 131 131 GLY HA2 H 4.178 . 2 1186 131 131 GLY HA3 H 3.897 . 2 1187 131 131 GLY C C 173.163 . 1 1188 131 131 GLY CA C 44.002 . 1 1189 131 131 GLY N N 115.792 . 1 1190 132 132 LYS H H 8.128 . 1 1191 132 132 LYS HA H 4.012 . 1 1192 132 132 LYS HB2 H 1.732 . 2 1193 132 132 LYS HB3 H 1.733 . 2 1194 132 132 LYS HD2 H 1.671 . 2 1195 132 132 LYS HD3 H 1.671 . 2 1196 132 132 LYS HE2 H 2.961 . 2 1197 132 132 LYS HE3 H 2.961 . 2 1198 132 132 LYS HG2 H 1.441 . 2 1199 132 132 LYS HG3 H 1.376 . 2 1200 132 132 LYS C C 175.824 . 1 1201 132 132 LYS CA C 56.143 . 1 1202 132 132 LYS CB C 33.106 . 1 1203 132 132 LYS CD C 29.121 . 1 1204 132 132 LYS CE C 41.889 . 1 1205 132 132 LYS CG C 24.804 . 1 1206 132 132 LYS N N 120.650 . 1 1207 133 133 ALA H H 8.332 . 1 1208 133 133 ALA HA H 4.568 . 1 1209 133 133 ALA HB H 1.164 . 1 1210 133 133 ALA C C 177.729 . 1 1211 133 133 ALA CA C 52.444 . 1 1212 133 133 ALA CB C 18.161 . 1 1213 133 133 ALA N N 126.165 . 1 1214 134 134 VAL H H 9.229 . 1 1215 134 134 VAL HA H 4.207 . 1 1216 134 134 VAL HB H 2.067 . 1 1217 134 134 VAL HG1 H 0.867 . 2 1218 134 134 VAL HG2 H 0.868 . 4 1219 134 134 VAL C C 175.861 . 1 1220 134 134 VAL CA C 61.959 . 1 1221 134 134 VAL CB C 33.522 . 1 1222 134 134 VAL CG1 C 21.069 . 2 1223 134 134 VAL CG2 C 21.069 . 2 1224 134 134 VAL N N 128.628 . 1 1225 135 135 THR H H 8.714 . 1 1226 135 135 THR HA H 4.881 . 1 1227 135 135 THR HB H 4.027 . 1 1228 135 135 THR HG2 H 1.082 . 1 1229 135 135 THR C C 173.862 . 1 1230 135 135 THR CA C 61.984 . 1 1231 135 135 THR CB C 69.634 . 1 1232 135 135 THR CG2 C 21.649 . 1 1233 135 135 THR N N 124.656 . 1 1234 136 136 ALA H H 8.735 . 1 1235 136 136 ALA HA H 4.580 . 1 1236 136 136 ALA HB H 1.338 . 1 1237 136 136 ALA C C 176.491 . 1 1238 136 136 ALA CA C 51.569 . 1 1239 136 136 ALA CB C 20.397 . 1 1240 136 136 ALA N N 132.099 . 1 1241 137 137 LYS H H 8.986 . 1 1242 137 137 LYS HA H 3.850 . 1 1243 137 137 LYS HB2 H 1.881 . 2 1244 137 137 LYS HB3 H 1.940 . 2 1245 137 137 LYS HD2 H 1.693 . 2 1246 137 137 LYS HD3 H 1.694 . 2 1247 137 137 LYS HE2 H 2.982 . 2 1248 137 137 LYS HE3 H 2.981 . 2 1249 137 137 LYS HG2 H 1.407 . 2 1250 137 137 LYS HG3 H 1.408 . 2 1251 137 137 LYS C C 176.055 . 1 1252 137 137 LYS CA C 58.678 . 1 1253 137 137 LYS CB C 30.787 . 1 1254 137 137 LYS CD C 29.203 . 1 1255 137 137 LYS CE C 42.076 . 1 1256 137 137 LYS CG C 25.292 . 1 1257 137 137 LYS N N 124.450 . 1 1258 138 138 GLU H H 8.679 . 1 1259 138 138 GLU HA H 4.021 . 1 1260 138 138 GLU HB2 H 2.192 . 2 1261 138 138 GLU HB3 H 2.193 . 2 1262 138 138 GLU HG2 H 2.209 . 2 1263 138 138 GLU HG3 H 2.208 . 2 1264 138 138 GLU C C 174.959 . 1 1265 138 138 GLU CA C 57.526 . 1 1266 138 138 GLU CB C 29.065 . 1 1267 138 138 GLU CG C 36.696 . 1 1268 138 138 GLU N N 115.834 . 1 1269 139 139 VAL H H 7.598 . 1 1270 139 139 VAL HA H 4.490 . 1 1271 139 139 VAL HB H 2.132 . 1 1272 139 139 VAL HG1 H 0.848 . 2 1273 139 139 VAL HG2 H 0.943 . 2 1274 139 139 VAL C C 174.341 . 1 1275 139 139 VAL CA C 61.957 . 1 1276 139 139 VAL CB C 34.067 . 1 1277 139 139 VAL CG1 C 21.723 . 1 1278 139 139 VAL CG2 C 21.723 . 1 1279 139 139 VAL N N 119.585 . 1 1280 140 140 ILE H H 8.860 . 1 1281 140 140 ILE HA H 4.901 . 1 1282 140 140 ILE HB H 1.949 . 1 1283 140 140 ILE HD1 H 0.837 . 1 1284 140 140 ILE HG12 H 1.653 . 1 1285 140 140 ILE HG13 H 1.190 . 1 1286 140 140 ILE HG2 H 0.904 . 4 1287 140 140 ILE C C 176.112 . 1 1288 140 140 ILE CA C 60.319 . 1 1289 140 140 ILE CB C 40.631 . 1 1290 140 140 ILE CD1 C 14.196 . 1 1291 140 140 ILE CG1 C 28.095 . 9 1292 140 140 ILE CG2 C 18.777 . 1 1293 140 140 ILE N N 129.176 . 1 1294 141 141 THR H H 9.083 . 1 1295 141 141 THR HA H 6.018 . 1 1296 141 141 THR HB H 4.028 . 1 1297 141 141 THR HG2 H 1.055 . 1 1298 141 141 THR C C 174.653 . 1 1299 141 141 THR CA C 58.680 . 1 1300 141 141 THR CB C 72.363 . 1 1301 141 141 THR CG2 C 21.507 . 1 1302 141 141 THR N N 117.845 . 1 1303 142 142 ARG H H 8.484 . 1 1304 142 142 ARG HA H 4.759 . 1 1305 142 142 ARG HB2 H 1.653 . 2 1306 142 142 ARG HB3 H 1.430 . 2 1307 142 142 ARG C C 175.631 . 1 1308 142 142 ARG CA C 55.944 . 1 1309 142 142 ARG CB C 36.803 . 1 1310 142 142 ARG N N 117.859 . 1 1311 143 143 THR H H 8.642 . 1 1312 143 143 THR HA H 5.040 . 1 1313 143 143 THR HB H 4.038 . 1 1314 143 143 THR HG2 H 1.134 . 1 1315 143 143 THR C C 174.419 . 1 1316 143 143 THR CA C 61.987 . 1 1317 143 143 THR CB C 69.141 . 1 1318 143 143 THR CG2 C 21.882 . 1 1319 143 143 THR N N 119.295 . 1 1320 144 144 VAL H H 9.120 . 1 1321 144 144 VAL HA H 4.609 . 1 1322 144 144 VAL HB H 1.831 . 1 1323 144 144 VAL HG1 H 0.793 . 2 1324 144 144 VAL HG2 H 0.888 . 2 1325 144 144 VAL C C 173.447 . 1 1326 144 144 VAL CA C 60.627 . 1 1327 144 144 VAL CB C 36.803 . 1 1328 144 144 VAL CG1 C 22.189 . 1 1329 144 144 VAL CG2 C 22.189 . 1 1330 144 144 VAL N N 126.104 . 1 1331 145 145 LYS H H 8.460 . 1 1332 145 145 LYS HA H 5.159 . 1 1333 145 145 LYS HB2 H 1.492 . 2 1334 145 145 LYS HB3 H 1.491 . 2 1335 145 145 LYS HD2 H 1.416 . 2 1336 145 145 LYS HD3 H 1.417 . 2 1337 145 145 LYS HE2 H 2.691 . 2 1338 145 145 LYS HE3 H 2.690 . 2 1339 145 145 LYS HG2 H 1.175 . 2 1340 145 145 LYS HG3 H 1.034 . 2 1341 145 145 LYS C C 174.708 . 1 1342 145 145 LYS CA C 54.795 . 1 1343 145 145 LYS CB C 34.830 . 1 1344 145 145 LYS CD C 28.857 . 1 1345 145 145 LYS CE C 41.727 . 1 1346 145 145 LYS CG C 25.290 . 1 1347 145 145 LYS N N 127.357 . 1 1348 146 146 VAL H H 8.615 . 1 1349 146 146 VAL HA H 4.316 . 1 1350 146 146 VAL HB H 1.650 . 1 1351 146 146 VAL HG1 H 0.396 . 2 1352 146 146 VAL HG2 H 0.479 . 2 1353 146 146 VAL C C 176.185 . 1 1354 146 146 VAL CA C 60.039 . 1 1355 146 146 VAL CB C 34.863 . 1 1356 146 146 VAL CG1 C 21.413 . 1 1357 146 146 VAL CG2 C 21.413 . 1 1358 146 146 VAL N N 125.301 . 1 1359 147 147 THR H H 8.606 . 1 1360 147 147 THR HA H 4.274 . 1 1361 147 147 THR HG2 H 0.858 . 1 1362 147 147 THR C C 172.964 . 1 1363 147 147 THR CA C 61.920 . 1 1364 147 147 THR CB C 70.165 . 1 1365 147 147 THR CG2 C 21.858 . 1 1366 147 147 THR N N 124.368 . 1 1367 148 148 ASN H H 8.503 . 1 1368 148 148 ASN HA H 5.697 . 1 1369 148 148 ASN HB2 H 2.992 . 2 1370 148 148 ASN HB3 H 2.728 . 2 1371 148 148 ASN HD21 H 7.383 . 2 1372 148 148 ASN HD22 H 6.347 . 2 1373 148 148 ASN C C 176.126 . 1 1374 148 148 ASN CA C 52.752 . 1 1375 148 148 ASN CB C 40.084 . 1 1376 148 148 ASN N N 124.774 . 1 1377 148 148 ASN ND2 N 113.087 . 1 1378 149 149 VAL H H 9.036 . 1 1379 149 149 VAL HA H 4.605 . 1 1380 149 149 VAL HB H 2.306 . 1 1381 149 149 VAL HG1 H 1.065 . 4 1382 149 149 VAL HG2 H 1.147 . 4 1383 149 149 VAL C C 176.445 . 1 1384 149 149 VAL CA C 60.810 . 1 1385 149 149 VAL CB C 33.991 . 1 1386 149 149 VAL CG1 C 20.382 . 1 1387 149 149 VAL CG2 C 21.878 . 1 1388 149 149 VAL N N 117.952 . 1 1389 150 150 GLY H H 8.352 . 1 1390 150 150 GLY HA2 H 4.081 . 2 1391 150 150 GLY HA3 H 4.081 . 2 1392 150 150 GLY C C 173.097 . 1 1393 150 150 GLY CA C 45.553 . 1 1394 150 150 GLY N N 112.230 . 1 1395 151 151 ARG H H 8.347 . 1 1396 151 151 ARG HA H 4.510 . 1 1397 151 151 ARG HB2 H 1.573 . 2 1398 151 151 ARG HB3 H 1.704 . 2 1399 151 151 ARG HD2 H 2.842 . 2 1400 151 151 ARG HD3 H 2.781 . 2 1401 151 151 ARG HG2 H 1.461 . 2 1402 151 151 ARG HG3 H 1.460 . 2 1403 151 151 ARG CA C 54.508 . 1 1404 151 151 ARG CB C 30.561 . 1 1405 151 151 ARG CD C 43.588 . 1 1406 151 151 ARG N N 122.297 . 1 1407 152 152 PRO HA H 4.433 . 1 1408 152 152 PRO HB2 H 2.253 . 2 1409 152 152 PRO HB3 H 1.871 . 2 1410 152 152 PRO HD2 H 3.726 . 2 1411 152 152 PRO HD3 H 3.543 . 2 1412 152 152 PRO HG2 H 1.974 . 2 1413 152 152 PRO HG3 H 1.974 . 2 1414 152 152 PRO C C 176.747 . 1 1415 152 152 PRO CA C 63.595 . 1 1416 152 152 PRO CB C 32.140 . 1 1417 152 152 PRO CD C 50.502 . 1 1418 152 152 PRO CG C 27.231 . 1 1419 153 153 SER H H 8.407 . 1 1420 153 153 SER HA H 4.335 . 1 1421 153 153 SER HB2 H 3.822 . 2 1422 153 153 SER HB3 H 3.821 . 2 1423 153 153 SER CA C 58.112 . 1 1424 153 153 SER CB C 63.758 . 1 1425 153 153 SER N N 117.720 . 1 1426 154 154 MET H H 8.388 . 1 1427 154 154 MET HA H 4.474 . 1 1428 154 154 MET HB2 H 1.960 . 2 1429 154 154 MET HB3 H 2.084 . 2 1430 154 154 MET HG2 H 2.526 . 2 1431 154 154 MET HG3 H 2.610 . 2 1432 154 154 MET C C 175.590 . 1 1433 154 154 MET CA C 55.205 . 1 1434 154 154 MET CB C 31.904 . 1 1435 154 154 MET CG C 31.904 . 1 1436 154 154 MET N N 123.980 . 1 1437 155 155 ALA H H 8.244 . 1 1438 155 155 ALA HA H 4.298 . 1 1439 155 155 ALA HB H 1.346 . 1 1440 155 155 ALA C C 176.555 . 1 1441 155 155 ALA CA C 52.663 . 1 1442 155 155 ALA CB C 19.303 . 1 1443 155 155 ALA N N 127.137 . 1 1444 156 156 GLU H H 7.915 . 1 1445 156 156 GLU HA H 4.067 . 1 1446 156 156 GLU HB2 H 2.006 . 2 1447 156 156 GLU HB3 H 1.843 . 2 1448 156 156 GLU HG2 H 2.167 . 2 1449 156 156 GLU HG3 H 2.168 . 2 1450 156 156 GLU CA C 58.131 . 1 1451 156 156 GLU CB C 31.334 . 1 1452 156 156 GLU N N 127.097 . 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 102 '102,102' '167,167,167' 182 '193,193,193,194,194,194' 299 '449,449,449' 612 '791,792' '1101,1101,1101' '1218,1218,1218' '1286,1286,1286' '1381,1381,1381,1382,1382,1382' stop_ save_