data_17598 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of PilP from Pseudomonas aeruginosa ; _BMRB_accession_number 17598 _BMRB_flat_file_name bmr17598.str _Entry_type original _Submission_date 2011-04-22 _Accession_date 2011-04-22 _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 Howell 'P. Lynne' . . 2 Tammam Stephanie . . 3 Chong 'P. Andrew' . . 4 Forman-Kay Julie D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 613 "13C chemical shifts" 367 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-20 original author . stop_ _Original_release_date 2011-12-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of the PilN, PilO and PilP type IVa pilus subcomplex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22053789 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tammam Stephanie . . 2 Sampaleanu Liliana . . 3 Koo Jason . . 4 Sundaram Priyanka . . 5 Ayers Melissa . . 6 Chong 'P. Andrew' . . 7 Forman-Kay Julie D. . 8 Burrows Lori L. . 9 Howell 'P. Lynne' . . stop_ _Journal_abbreviation 'Mol. Micro.' _Journal_volume 82 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1496 _Page_last 1514 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution Structure of PilP from Pseudomonas aeruginosa' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PilP $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PilP _Molecular_mass 12427.167 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; DLTVRQKGNKVIKPDETRVK QFLEGFNIETFEMVGTLSNA QGTFALVKGAGGVHRVRVGD YLGRNDGKVVGISEGKIDVI EIVPDGEGNWLERPRSLTLK ERSLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 ASP 2 1 LEU 3 2 THR 4 3 VAL 5 4 ARG 6 5 GLN 7 6 LYS 8 7 GLY 9 8 ASN 10 9 LYS 11 10 VAL 12 11 ILE 13 12 LYS 14 13 PRO 15 14 ASP 16 15 GLU 17 16 THR 18 17 ARG 19 18 VAL 20 19 LYS 21 20 GLN 22 21 PHE 23 22 LEU 24 23 GLU 25 24 GLY 26 25 PHE 27 26 ASN 28 27 ILE 29 28 GLU 30 29 THR 31 30 PHE 32 31 GLU 33 32 MET 34 33 VAL 35 34 GLY 36 35 THR 37 36 LEU 38 37 SER 39 38 ASN 40 39 ALA 41 40 GLN 42 41 GLY 43 42 THR 44 43 PHE 45 44 ALA 46 45 LEU 47 46 VAL 48 47 LYS 49 48 GLY 50 49 ALA 51 50 GLY 52 51 GLY 53 52 VAL 54 53 HIS 55 54 ARG 56 55 VAL 57 56 ARG 58 57 VAL 59 58 GLY 60 59 ASP 61 60 TYR 62 61 LEU 63 62 GLY 64 63 ARG 65 64 ASN 66 65 ASP 67 66 GLY 68 67 LYS 69 68 VAL 70 69 VAL 71 70 GLY 72 71 ILE 73 72 SER 74 73 GLU 75 74 GLY 76 75 LYS 77 76 ILE 78 77 ASP 79 78 VAL 80 79 ILE 81 80 GLU 82 81 ILE 83 82 VAL 84 83 PRO 85 84 ASP 86 85 GLY 87 86 GLU 88 87 GLY 89 88 ASN 90 89 TRP 91 90 LEU 92 91 GLU 93 92 ARG 94 93 PRO 95 94 ARG 96 95 SER 97 96 LEU 98 97 THR 99 98 LEU 100 99 LYS 101 100 GLU 102 101 ARG 103 102 SER 104 103 LEU 105 104 GLU 106 105 HIS 107 106 HIS 108 107 HIS 109 108 HIS 110 109 HIS 111 110 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2LC4 "Solution Structure Of Pilp From Pseudomonas Aeruginosa" 100.00 111 100.00 100.00 6.61e-73 DBJ BAK87361 "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa NCGM2.S1]" 92.79 174 100.00 100.00 3.14e-66 DBJ BAP24857 "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa]" 92.79 174 100.00 100.00 3.14e-66 DBJ BAP53627 "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa]" 92.79 174 100.00 100.00 3.14e-66 DBJ BAQ42890 "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa]" 92.79 165 99.03 100.00 5.47e-66 DBJ BAR70506 "type IV pilus biogenesis protein PilP [Pseudomonas aeruginosa]" 92.79 174 99.03 100.00 4.75e-66 EMBL CAW30185 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa LESB58]" 92.79 174 100.00 100.00 3.14e-66 EMBL CCQ86063 "Type IV pilus biogenesis protein PilP [Pseudomonas aeruginosa 18A]" 92.79 174 100.00 100.00 3.14e-66 EMBL CDH73786 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa MH38]" 92.79 174 100.00 100.00 3.14e-66 EMBL CDH80106 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa MH27]" 92.79 174 100.00 100.00 3.14e-66 EMBL CDI93614 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PA38182]" 92.79 174 100.00 100.00 3.14e-66 GB AAA87405 "pilP [Pseudomonas aeruginosa PAO1]" 92.79 174 100.00 100.00 3.14e-66 GB AAG08426 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PAO1]" 92.79 174 100.00 100.00 3.14e-66 GB ABJ14425 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa UCBPP-PA14]" 92.79 174 99.03 100.00 4.75e-66 GB ABR86649 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PA7]" 92.79 173 100.00 100.00 2.32e-66 GB AEO77634 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa M18]" 92.79 174 100.00 100.00 3.14e-66 REF NP_253728 "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PAO1]" 92.79 174 100.00 100.00 3.14e-66 REF WP_003095836 "MULTISPECIES: type 4 fimbrial biogenesis protein PilP [Pseudomonas]" 92.79 174 100.00 100.00 3.14e-66 REF WP_003116136 "MULTISPECIES: pilus assembly protein PilP [Pseudomonas]" 92.79 174 99.03 100.00 4.75e-66 REF WP_012077721 "pilus assembly protein PilP [Pseudomonas aeruginosa]" 92.79 173 100.00 100.00 2.32e-66 REF WP_021263517 "pilus assembly protein PilP [Pseudomonas aeruginosa]" 92.79 174 100.00 100.00 2.32e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa mPAO1 PilP 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 $entity 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 150 mM 'natural abundance' TRIS 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . 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 . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details 'Pulse Field Gradient' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Pulse Field Gradient and Cryo Probe' 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_HCC-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC-TOCSY' _Sample_label $sample_1 save_ save_3D_CCC-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCC-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.5 . pH pressure 1 . atm temperature 273 . 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 water C 13 protons ppm 4.77 internal indirect . . . 0.04 water H 1 protons ppm 4.77 internal direct . . . 1 water N 15 protons ppm 4.77 internal indirect . . . 0.07 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 HCC-TOCSY' '3D CCC-TOCSY' '2D 1H-13C HSQC aliphatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PilP _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 2 LEU HA H 4.375 0.000 1 2 1 2 LEU HB2 H 0.905 0.000 2 3 1 2 LEU HB3 H 0.906 0.000 2 4 1 2 LEU HG H 1.643 0.000 1 5 1 2 LEU HD1 H 0.883 0.000 . 6 1 2 LEU HD2 H 0.881 0.000 . 7 1 2 LEU CA C 55.350 0.000 1 8 1 2 LEU CB C 42.048 0.000 1 9 1 2 LEU CG C 26.838 0.000 1 10 1 2 LEU CD1 C 24.870 0.000 2 11 1 2 LEU CD2 C 22.984 0.000 2 12 2 3 THR H H 8.316 0.000 1 13 2 3 THR HA H 4.205 0.000 1 14 2 3 THR HB H 4.205 0.000 1 15 2 3 THR HG2 H 1.199 0.000 . 16 2 3 THR CA C 62.493 0.000 1 17 2 3 THR CB C 69.391 0.000 1 18 2 3 THR CG2 C 21.508 0.000 1 19 2 3 THR N N 114.937 0.000 1 20 3 4 VAL H H 7.953 0.000 1 21 3 4 VAL HA H 4.068 0.000 1 22 3 4 VAL HB H 2.079 0.000 1 23 3 4 VAL HG1 H 0.932 0.000 . 24 3 4 VAL HG2 H 0.933 0.000 . 25 3 4 VAL CA C 62.493 0.000 1 26 3 4 VAL CB C 32.358 0.000 1 27 3 4 VAL CG1 C 20.770 0.000 2 28 3 4 VAL CG2 C 20.770 0.000 2 29 3 4 VAL N N 122.438 0.000 1 30 4 5 ARG H H 8.319 0.000 1 31 4 5 ARG HA H 4.350 0.000 1 32 4 5 ARG HB2 H 1.813 0.000 2 33 4 5 ARG HB3 H 1.812 0.000 2 34 4 5 ARG HG2 H 1.628 0.000 2 35 4 5 ARG HG3 H 1.627 0.000 2 36 4 5 ARG HD2 H 3.180 0.000 2 37 4 5 ARG HD3 H 2.179 0.000 2 38 4 5 ARG CA C 55.842 0.000 1 39 4 5 ARG CB C 30.643 0.000 1 40 4 5 ARG CG C 27.048 0.000 1 41 4 5 ARG CD C 43.074 0.000 1 42 4 5 ARG N N 124.781 0.000 1 43 5 6 GLN H H 8.373 0.000 1 44 5 6 GLN HB2 H 1.468 0.000 2 45 5 6 GLN HB3 H 1.469 0.000 2 46 5 6 GLN HG2 H 2.395 0.000 2 47 5 6 GLN HG3 H 2.396 0.000 2 48 5 6 GLN HE21 H 6.860 0.000 2 49 5 6 GLN HE22 H 7.570 0.000 2 50 5 6 GLN CA C 55.842 0.000 1 51 5 6 GLN CB C 29.189 0.000 1 52 5 6 GLN CG C 34.763 0.000 1 53 5 6 GLN N N 121.656 0.000 1 54 5 6 GLN NE2 N 112.721 0.000 1 55 6 7 LYS HA H 3.809 0.000 1 56 6 7 LYS HB2 H 1.927 0.000 2 57 6 7 LYS HB3 H 1.927 0.000 2 58 6 7 LYS HG2 H 0.949 0.000 2 59 6 7 LYS HG3 H 0.948 0.000 2 60 6 7 LYS CA C 54.832 0.000 1 61 6 7 LYS CB C 30.063 0.000 1 62 6 7 LYS CG C 21.016 0.000 1 63 6 7 LYS CD C 21.033 0.000 1 64 6 7 LYS CE C 35.776 0.000 1 65 7 8 GLY H H 8.407 0.000 1 66 7 8 GLY HA2 H 3.974 0.000 2 67 7 8 GLY HA3 H 3.973 0.000 2 68 7 8 GLY CA C 44.729 0.000 1 69 8 9 ASN H H 8.337 0.000 1 70 8 9 ASN HA H 4.716 0.000 1 71 8 9 ASN HB2 H 2.788 0.000 2 72 8 9 ASN HB3 H 2.789 0.000 2 73 8 9 ASN HD21 H 6.925 0.000 2 74 8 9 ASN HD22 H 7.613 0.000 2 75 8 9 ASN CA C 52.883 0.000 1 76 8 9 ASN CB C 38.892 0.000 1 77 8 9 ASN N N 118.812 0.000 1 78 8 9 ASN ND2 N 113.154 0.000 1 79 9 10 LYS H H 8.253 0.000 1 80 9 10 LYS HA H 4.332 0.000 1 81 9 10 LYS HB2 H 1.825 0.000 2 82 9 10 LYS HB3 H 1.826 0.000 2 83 9 10 LYS HG2 H 1.497 0.000 2 84 9 10 LYS HG3 H 1.498 0.000 2 85 9 10 LYS HD2 H 1.680 0.000 2 86 9 10 LYS HD3 H 1.681 0.000 2 87 9 10 LYS HE2 H 3.189 0.000 2 88 9 10 LYS HE3 H 3.190 0.000 2 89 9 10 LYS CA C 55.970 0.000 1 90 9 10 LYS CB C 32.574 0.000 1 91 9 10 LYS CG C 24.472 0.000 1 92 9 10 LYS CD C 27.035 0.000 1 93 9 10 LYS CE C 41.998 0.000 1 94 9 10 LYS N N 122.131 0.000 1 95 10 11 VAL H H 8.428 0.000 1 96 10 11 VAL HA H 4.136 0.000 1 97 10 11 VAL HB H 2.053 0.000 1 98 10 11 VAL HG1 H 0.925 0.000 . 99 10 11 VAL HG2 H 0.926 0.000 . 100 10 11 VAL CA C 62.005 0.000 1 101 10 11 VAL CB C 32.822 0.000 1 102 10 11 VAL CG1 C 21.000 0.000 2 103 10 11 VAL CG2 C 21.000 0.000 2 104 10 11 VAL N N 123.026 0.000 1 105 11 12 ILE H H 8.345 0.000 1 106 11 12 ILE HA H 4.104 0.000 1 107 11 12 ILE HB H 1.889 0.000 1 108 11 12 ILE HG12 H 1.481 0.000 2 109 11 12 ILE HG13 H 1.232 0.000 2 110 11 12 ILE HG2 H 0.787 0.000 . 111 11 12 ILE HD1 H 0.835 0.000 . 112 11 12 ILE CA C 60.002 0.000 1 113 11 12 ILE CB C 37.733 0.000 1 114 11 12 ILE CG1 C 27.117 0.000 1 115 11 12 ILE CG2 C 17.812 0.000 1 116 11 12 ILE CD1 C 12.521 0.000 1 117 11 12 ILE N N 127.174 0.000 1 118 12 13 LYS H H 7.662 0.000 1 119 12 13 LYS HA H 3.817 0.000 1 120 12 13 LYS HB2 H 1.616 0.000 2 121 12 13 LYS HB3 H 1.238 0.000 2 122 12 13 LYS HG2 H 0.938 0.000 2 123 12 13 LYS HG3 H 1.236 0.000 2 124 12 13 LYS HD2 H 1.538 0.000 2 125 12 13 LYS HD3 H 1.539 0.000 2 126 12 13 LYS HE2 H 2.932 0.000 2 127 12 13 LYS HE3 H 2.933 0.000 2 128 12 13 LYS CA C 53.957 0.000 1 129 12 13 LYS CB C 32.517 0.000 1 130 12 13 LYS CG C 22.417 0.000 1 131 12 13 LYS CD C 29.140 0.000 1 132 12 13 LYS CE C 41.619 0.000 1 133 12 13 LYS N N 122.906 0.000 1 134 13 14 PRO HA H 3.925 0.000 1 135 13 14 PRO HB2 H 1.986 0.000 2 136 13 14 PRO HB3 H 1.434 0.000 2 137 13 14 PRO HG2 H 1.230 0.000 2 138 13 14 PRO HG3 H 0.957 0.000 2 139 13 14 PRO HD2 H 2.196 0.000 2 140 13 14 PRO HD3 H 1.770 0.000 2 141 13 14 PRO CA C 62.537 0.000 1 142 13 14 PRO CB C 31.593 0.000 1 143 13 14 PRO CG C 26.953 0.000 1 144 13 14 PRO CD C 49.160 0.000 1 145 14 15 ASP H H 8.607 0.000 1 146 14 15 ASP HA H 4.523 0.000 1 147 14 15 ASP HB2 H 2.788 0.000 2 148 14 15 ASP HB3 H 2.565 0.000 2 149 14 15 ASP CA C 52.974 0.000 1 150 14 15 ASP CB C 40.470 0.000 1 151 14 15 ASP N N 121.969 0.000 1 152 15 16 GLU H H 9.032 0.000 1 153 15 16 GLU HA H 4.192 0.000 1 154 15 16 GLU HB2 H 1.965 0.000 2 155 15 16 GLU HB3 H 1.964 0.000 2 156 15 16 GLU HG2 H 2.219 0.000 2 157 15 16 GLU HG3 H 2.218 0.000 2 158 15 16 GLU CA C 57.651 0.000 1 159 15 16 GLU CB C 29.207 0.000 1 160 15 16 GLU CG C 36.113 0.000 1 161 15 16 GLU N N 126.813 0.000 1 162 16 17 THR H H 8.453 0.000 1 163 16 17 THR HA H 4.313 0.000 1 164 16 17 THR HB H 4.308 0.000 1 165 16 17 THR HG2 H 1.158 0.000 . 166 16 17 THR CA C 61.660 0.000 1 167 16 17 THR CB C 69.392 0.000 1 168 16 17 THR CG2 C 21.678 0.000 1 169 16 17 THR N N 110.875 0.000 1 170 17 18 ARG H H 6.969 0.000 1 171 17 18 ARG HA H 4.107 0.000 1 172 17 18 ARG HB2 H 1.644 0.000 2 173 17 18 ARG HB3 H 1.510 0.000 2 174 17 18 ARG HG2 H 1.289 0.000 2 175 17 18 ARG HG3 H 1.497 0.000 2 176 17 18 ARG HD2 H 3.040 0.000 2 177 17 18 ARG HD3 H 2.901 0.000 2 178 17 18 ARG HE H 6.868 0.000 1 179 17 18 ARG CA C 55.933 0.000 1 180 17 18 ARG CB C 31.021 0.000 1 181 17 18 ARG CG C 26.398 0.000 1 182 17 18 ARG CD C 42.313 0.000 1 183 17 18 ARG N N 124.313 0.000 1 184 17 18 ARG NE N 78.698 0.000 1 185 18 19 VAL H H 8.494 0.000 1 186 18 19 VAL HA H 3.793 0.000 1 187 18 19 VAL HB H 1.905 0.000 1 188 18 19 VAL HG1 H 0.961 0.000 . 189 18 19 VAL HG2 H 0.960 0.000 . 190 18 19 VAL CA C 62.530 0.000 1 191 18 19 VAL CB C 31.021 0.000 1 192 18 19 VAL CG1 C 21.028 0.000 2 193 18 19 VAL CG2 C 21.027 0.000 2 194 18 19 VAL N N 127.750 0.000 1 195 19 20 LYS H H 8.406 0.000 1 196 19 20 LYS HA H 4.082 0.000 1 197 19 20 LYS HB2 H 1.475 0.000 2 198 19 20 LYS HB3 H 1.650 0.000 2 199 19 20 LYS HG2 H 1.197 0.000 2 200 19 20 LYS HG3 H 1.493 0.000 2 201 19 20 LYS HD2 H 1.536 0.000 2 202 19 20 LYS HD3 H 1.456 0.000 2 203 19 20 LYS HE2 H 2.894 0.000 2 204 19 20 LYS HE3 H 2.778 0.000 2 205 19 20 LYS CA C 56.797 0.000 1 206 19 20 LYS CB C 33.025 0.000 1 207 19 20 LYS CG C 25.842 0.000 1 208 19 20 LYS CD C 29.266 0.000 1 209 19 20 LYS CE C 42.405 0.000 1 210 19 20 LYS N N 129.005 0.000 1 211 20 21 GLN H H 9.783 0.000 1 212 20 21 GLN HA H 4.431 0.000 1 213 20 21 GLN HB2 H 2.645 0.000 2 214 20 21 GLN HB3 H 2.146 0.000 2 215 20 21 GLN HG2 H 2.717 0.000 2 216 20 21 GLN HG3 H 2.590 0.000 2 217 20 21 GLN HE21 H 7.428 0.000 2 218 20 21 GLN HE22 H 7.739 0.000 2 219 20 21 GLN CA C 56.697 0.000 1 220 20 21 GLN CB C 29.207 0.000 1 221 20 21 GLN CG C 34.654 0.000 1 222 20 21 GLN N N 122.125 0.000 1 223 20 21 GLN NE2 N 113.161 0.000 1 224 21 22 PHE H H 9.214 0.000 1 225 21 22 PHE HA H 4.292 0.000 1 226 21 22 PHE HB2 H 3.507 0.000 2 227 21 22 PHE HB3 H 2.952 0.000 2 228 21 22 PHE HD1 H 7.178 0.000 3 229 21 22 PHE HD2 H 7.178 0.000 3 230 21 22 PHE HE1 H 7.340 0.000 3 231 21 22 PHE HE2 H 7.340 0.000 3 232 21 22 PHE HZ H 7.182 0.000 1 233 21 22 PHE CA C 61.906 0.000 1 234 21 22 PHE CB C 39.105 0.000 1 235 21 22 PHE CD1 C 130.579 0.000 3 236 21 22 PHE CD2 C 130.579 0.000 3 237 21 22 PHE CE1 C 130.504 0.000 3 238 21 22 PHE CE2 C 130.504 0.000 3 239 21 22 PHE CZ C 122.104 0.000 1 240 21 22 PHE N N 126.785 0.000 1 241 22 23 LEU H H 9.173 0.000 1 242 22 23 LEU HA H 4.120 0.000 1 243 22 23 LEU HB2 H 1.685 0.000 2 244 22 23 LEU HB3 H 1.927 0.000 2 245 22 23 LEU HG H 1.687 0.000 1 246 22 23 LEU HD1 H 0.402 0.000 . 247 22 23 LEU HD2 H -0.012 0.000 . 248 22 23 LEU CA C 56.358 0.000 1 249 22 23 LEU CB C 40.097 0.000 1 250 22 23 LEU CG C 26.456 0.000 1 251 22 23 LEU CD1 C 24.879 0.000 2 252 22 23 LEU CD2 C 20.856 0.000 2 253 22 23 LEU N N 115.846 0.000 1 254 23 24 GLU H H 7.789 0.000 1 255 23 24 GLU HA H 4.811 0.000 1 256 23 24 GLU HB2 H 2.414 0.000 2 257 23 24 GLU HB3 H 2.415 0.000 2 258 23 24 GLU HG2 H 2.204 0.000 2 259 23 24 GLU HG3 H 1.994 0.000 2 260 23 24 GLU CA C 56.655 0.000 1 261 23 24 GLU CB C 29.298 0.000 1 262 23 24 GLU CG C 40.122 0.000 1 263 23 24 GLU N N 117.032 0.000 1 264 24 25 GLY H H 7.640 0.000 1 265 24 25 GLY HA2 H 3.122 0.000 2 266 24 25 GLY HA3 H 3.898 0.000 2 267 24 25 GLY CA C 44.407 0.000 1 268 24 25 GLY N N 105.050 0.000 1 269 25 26 PHE H H 6.508 0.000 1 270 25 26 PHE HA H 4.504 0.000 1 271 25 26 PHE HB2 H 2.936 0.000 2 272 25 26 PHE HB3 H 2.467 0.000 2 273 25 26 PHE HD1 H 6.981 0.000 3 274 25 26 PHE HD2 H 6.981 0.000 3 275 25 26 PHE HE1 H 6.625 0.000 3 276 25 26 PHE HE2 H 6.625 0.000 3 277 25 26 PHE HZ H 6.978 0.000 1 278 25 26 PHE CA C 55.527 0.000 1 279 25 26 PHE CB C 43.117 0.000 1 280 25 26 PHE CD1 C 130.443 0.000 3 281 25 26 PHE CD2 C 130.443 0.000 3 282 25 26 PHE CE1 C 130.401 0.000 3 283 25 26 PHE CE2 C 130.401 0.000 3 284 25 26 PHE CZ C 122.104 0.000 1 285 25 26 PHE N N 115.467 0.000 1 286 26 27 ASN H H 8.788 0.000 1 287 26 27 ASN HA H 4.488 0.000 1 288 26 27 ASN HB2 H 3.138 0.000 2 289 26 27 ASN HB3 H 2.734 0.000 2 290 26 27 ASN CA C 53.029 0.000 1 291 26 27 ASN CB C 37.718 0.000 1 292 26 27 ASN N N 118.006 0.000 1 293 27 28 ILE H H 9.557 0.000 1 294 27 28 ILE HA H 3.688 0.000 1 295 27 28 ILE HB H 1.861 0.000 1 296 27 28 ILE HG12 H 1.530 0.000 2 297 27 28 ILE HG13 H 1.412 0.000 2 298 27 28 ILE HG2 H 1.010 0.000 . 299 27 28 ILE HD1 H 0.780 0.000 . 300 27 28 ILE CA C 63.907 0.000 1 301 27 28 ILE CB C 39.043 0.000 1 302 27 28 ILE CG1 C 29.954 0.000 1 303 27 28 ILE CG2 C 16.260 0.000 1 304 27 28 ILE CD1 C 14.136 0.000 1 305 27 28 ILE N N 129.126 0.000 1 306 28 29 GLU H H 9.064 0.000 1 307 28 29 GLU HA H 4.229 0.000 1 308 28 29 GLU HB2 H 2.128 0.000 2 309 28 29 GLU HB3 H 1.958 0.000 2 310 28 29 GLU HG2 H 2.371 0.000 2 311 28 29 GLU HG3 H 2.370 0.000 2 312 28 29 GLU CA C 58.347 0.000 1 313 28 29 GLU CB C 28.129 0.000 1 314 28 29 GLU CG C 36.760 0.000 1 315 28 29 GLU N N 120.068 0.000 1 316 29 30 THR H H 7.789 0.000 1 317 29 30 THR HA H 4.303 0.000 1 318 29 30 THR HB H 4.287 0.000 1 319 29 30 THR HG2 H 1.177 0.000 . 320 29 30 THR CA C 62.079 0.000 1 321 29 30 THR CB C 69.583 0.000 1 322 29 30 THR CG2 C 21.744 0.000 1 323 29 30 THR N N 109.404 0.000 1 324 30 31 PHE H H 7.236 0.000 1 325 30 31 PHE HA H 5.426 0.000 1 326 30 31 PHE HB2 H 3.054 0.000 2 327 30 31 PHE HB3 H 2.779 0.000 2 328 30 31 PHE HD1 H 7.127 0.000 3 329 30 31 PHE HD2 H 7.127 0.000 3 330 30 31 PHE HE1 H 6.970 0.000 3 331 30 31 PHE HE2 H 6.970 0.000 3 332 30 31 PHE HZ H 7.350 0.000 1 333 30 31 PHE CA C 55.456 0.000 1 334 30 31 PHE CB C 39.993 0.000 1 335 30 31 PHE CD1 C 129.556 0.000 3 336 30 31 PHE CD2 C 129.556 0.000 3 337 30 31 PHE CE1 C 129.239 0.000 3 338 30 31 PHE CE2 C 129.239 0.000 3 339 30 31 PHE CZ C 129.197 0.000 1 340 30 31 PHE N N 120.250 0.000 1 341 31 32 GLU H H 8.644 0.000 1 342 31 32 GLU HA H 4.787 0.000 1 343 31 32 GLU HB2 H 1.918 0.000 2 344 31 32 GLU HB3 H 1.914 0.000 2 345 31 32 GLU HG2 H 2.288 0.000 2 346 31 32 GLU HG3 H 2.144 0.000 2 347 31 32 GLU CA C 53.929 0.000 1 348 31 32 GLU CB C 33.693 0.000 1 349 31 32 GLU CG C 35.928 0.000 1 350 31 32 GLU N N 118.531 0.000 1 351 32 33 MET H H 9.679 0.000 1 352 32 33 MET HA H 4.643 0.000 1 353 32 33 MET HB2 H 1.642 0.000 2 354 32 33 MET HB3 H 1.797 0.000 2 355 32 33 MET HG2 H 2.394 0.000 2 356 32 33 MET HG3 H 2.395 0.000 2 357 32 33 MET HE H 1.935 0.000 . 358 32 33 MET CA C 56.411 0.000 1 359 32 33 MET CB C 32.050 0.000 1 360 32 33 MET CG C 34.169 0.000 1 361 32 33 MET CE C 19.960 0.000 1 362 32 33 MET N N 127.438 0.000 1 363 33 34 VAL H H 8.897 0.000 1 364 33 34 VAL HA H 4.774 0.000 1 365 33 34 VAL HB H 2.433 0.000 1 366 33 34 VAL HG1 H 0.697 0.000 . 367 33 34 VAL HG2 H 0.893 0.000 . 368 33 34 VAL CA C 60.996 0.000 1 369 33 34 VAL CB C 32.849 0.000 1 370 33 34 VAL CG1 C 19.181 0.000 2 371 33 34 VAL CG2 C 21.992 0.000 2 372 33 34 VAL N N 119.176 0.000 1 373 34 35 GLY H H 7.589 0.000 1 374 34 35 GLY HA2 H 4.533 0.000 2 375 34 35 GLY HA3 H 4.119 0.000 2 376 34 35 GLY CA C 45.184 0.000 1 377 34 35 GLY N N 108.249 0.000 1 378 35 36 THR H H 8.300 0.000 1 379 35 36 THR HA H 5.088 0.000 1 380 35 36 THR HB H 4.039 0.000 1 381 35 36 THR HG2 H 1.022 0.000 . 382 35 36 THR CA C 60.060 0.000 1 383 35 36 THR CB C 72.335 0.000 1 384 35 36 THR CG2 C 22.665 0.000 1 385 35 36 THR N N 110.562 0.000 1 386 36 37 LEU H H 8.886 0.000 1 387 36 37 LEU HA H 4.705 0.000 1 388 36 37 LEU HB2 H 1.531 0.000 2 389 36 37 LEU HB3 H 1.412 0.000 2 390 36 37 LEU HG H 1.458 0.000 1 391 36 37 LEU HD1 H 0.875 0.000 . 392 36 37 LEU HD2 H 0.691 0.000 . 393 36 37 LEU CA C 54.521 0.000 1 394 36 37 LEU CB C 46.315 0.000 1 395 36 37 LEU CG C 27.138 0.000 1 396 36 37 LEU CD1 C 20.736 0.000 2 397 36 37 LEU CD2 C 19.092 0.000 2 398 36 37 LEU N N 122.334 0.000 1 399 37 38 SER H H 8.694 0.000 1 400 37 38 SER HA H 5.489 0.000 1 401 37 38 SER HB2 H 3.870 0.000 2 402 37 38 SER HB3 H 3.688 0.000 2 403 37 38 SER CA C 56.819 0.000 1 404 37 38 SER CB C 64.655 0.000 1 405 37 38 SER N N 119.156 0.000 1 406 38 39 ASN H H 9.068 0.000 1 407 38 39 ASN HB2 H 3.410 0.000 2 408 38 39 ASN HB3 H 3.012 0.000 2 409 38 39 ASN HD21 H 6.474 0.000 2 410 38 39 ASN HD22 H 7.515 0.000 2 411 38 39 ASN CA C 51.804 0.000 1 412 38 39 ASN CB C 38.863 0.000 1 413 38 39 ASN N N 124.156 0.000 1 414 38 39 ASN ND2 N 109.871 0.000 1 415 39 40 ALA HA H 4.167 0.000 1 416 39 40 ALA HB H 1.458 0.000 . 417 39 40 ALA CA C 54.726 0.000 1 418 39 40 ALA CB C 18.211 0.000 1 419 40 41 GLN H H 8.399 0.000 1 420 40 41 GLN HA H 4.350 0.000 1 421 40 41 GLN HB2 H 2.396 0.000 2 422 40 41 GLN HB3 H 2.395 0.000 2 423 40 41 GLN HG2 H 2.384 0.000 2 424 40 41 GLN HG3 H 2.456 0.000 2 425 40 41 GLN CA C 56.695 0.000 1 426 40 41 GLN CB C 28.988 0.000 1 427 40 41 GLN CG C 34.910 0.000 1 428 40 41 GLN N N 114.937 0.000 1 429 41 42 GLY H H 7.892 0.000 1 430 41 42 GLY HA2 H 4.195 0.000 2 431 41 42 GLY HA3 H 3.809 0.000 2 432 41 42 GLY CA C 44.571 0.000 1 433 41 42 GLY N N 108.502 0.000 1 434 42 43 THR H H 7.762 0.000 1 435 42 43 THR HA H 3.749 0.000 1 436 42 43 THR HB H 4.872 0.000 1 437 42 43 THR HG2 H 1.021 0.000 . 438 42 43 THR CA C 69.834 0.000 1 439 42 43 THR CB C 70.316 0.000 1 440 42 43 THR CG2 C 21.216 0.000 1 441 42 43 THR N N 116.344 0.000 1 442 43 44 PHE H H 9.283 0.000 1 443 43 44 PHE HA H 5.106 0.000 1 444 43 44 PHE HB2 H 2.909 0.000 2 445 43 44 PHE HB3 H 2.681 0.000 2 446 43 44 PHE HD1 H 6.936 0.000 3 447 43 44 PHE HD2 H 6.936 0.000 3 448 43 44 PHE HE1 H 7.232 0.000 3 449 43 44 PHE HE2 H 7.232 0.000 3 450 43 44 PHE HZ H 7.113 0.000 1 451 43 44 PHE CA C 55.547 0.000 1 452 43 44 PHE CB C 41.905 0.000 1 453 43 44 PHE CD1 C 131.248 0.000 3 454 43 44 PHE CD2 C 131.248 0.000 3 455 43 44 PHE CE1 C 129.851 0.000 3 456 43 44 PHE CE2 C 129.851 0.000 3 457 43 44 PHE CZ C 128.451 0.000 1 458 43 44 PHE N N 123.688 0.000 1 459 44 45 ALA H H 9.579 0.000 1 460 44 45 ALA HA H 4.951 0.000 1 461 44 45 ALA HB H 1.340 0.000 . 462 44 45 ALA CA C 50.110 0.000 1 463 44 45 ALA CB C 21.637 0.000 1 464 44 45 ALA N N 122.438 0.000 1 465 45 46 LEU H H 8.472 0.000 1 466 45 46 LEU HA H 5.143 0.000 1 467 45 46 LEU HB2 H 1.386 0.000 2 468 45 46 LEU HB3 H 0.889 0.000 2 469 45 46 LEU HG H 1.236 0.000 1 470 45 46 LEU HD1 H 0.884 0.000 . 471 45 46 LEU HD2 H 0.656 0.000 . 472 45 46 LEU CA C 52.982 0.000 1 473 45 46 LEU CB C 42.418 0.000 1 474 45 46 LEU CG C 26.953 0.000 1 475 45 46 LEU CD1 C 25.195 0.000 2 476 45 46 LEU CD2 C 23.251 0.000 2 477 45 46 LEU N N 121.500 0.000 1 478 46 47 VAL H H 9.175 0.000 1 479 46 47 VAL HA H 4.915 0.000 1 480 46 47 VAL HB H 1.750 0.000 1 481 46 47 VAL HG1 H 0.528 0.000 . 482 46 47 VAL HG2 H 0.674 0.000 . 483 46 47 VAL CA C 59.423 0.000 1 484 46 47 VAL CB C 34.828 0.000 1 485 46 47 VAL CG1 C 21.435 0.000 2 486 46 47 VAL CG2 C 21.522 0.000 2 487 46 47 VAL N N 122.125 0.000 1 488 47 48 LYS H H 9.675 0.000 1 489 47 48 LYS HA H 5.198 0.000 1 490 47 48 LYS HB2 H 1.943 0.000 2 491 47 48 LYS HB3 H 1.623 0.000 2 492 47 48 LYS HG2 H 1.368 0.000 2 493 47 48 LYS HG3 H 1.367 0.000 2 494 47 48 LYS HD2 H 1.624 0.000 2 495 47 48 LYS HD3 H 1.625 0.000 2 496 47 48 LYS HE2 H 2.882 0.000 2 497 47 48 LYS HE3 H 2.881 0.000 2 498 47 48 LYS CA C 54.726 0.000 1 499 47 48 LYS CB C 35.033 0.000 1 500 47 48 LYS CG C 24.824 0.000 1 501 47 48 LYS CD C 29.451 0.000 1 502 47 48 LYS CE C 41.758 0.000 1 503 47 48 LYS N N 129.000 0.000 1 504 48 49 GLY H H 8.792 0.000 1 505 48 49 GLY HA2 H 3.865 0.000 2 506 48 49 GLY HA3 H 4.111 0.000 2 507 48 49 GLY CA C 44.876 0.000 1 508 48 49 GLY N N 113.844 0.000 1 509 49 50 ALA H H 8.963 0.000 1 510 49 50 ALA HA H 3.452 0.000 1 511 49 50 ALA HB H 0.402 0.000 . 512 49 50 ALA CA C 52.982 0.000 1 513 49 50 ALA CB C 16.950 0.000 1 514 49 50 ALA N N 123.844 0.000 1 515 50 51 GLY H H 8.582 0.000 1 516 50 51 GLY HA2 H 3.736 0.000 2 517 50 51 GLY HA3 H 4.147 0.000 2 518 50 51 GLY CA C 45.544 0.000 1 519 50 51 GLY N N 105.406 0.000 1 520 51 52 GLY H H 7.692 0.000 1 521 51 52 GLY HA2 H 3.802 0.000 2 522 51 52 GLY HA3 H 4.121 0.000 2 523 51 52 GLY CA C 45.149 0.000 1 524 51 52 GLY N N 108.644 0.000 1 525 52 53 VAL H H 7.928 0.000 1 526 52 53 VAL HA H 4.587 0.000 1 527 52 53 VAL HB H 1.754 0.000 1 528 52 53 VAL HG1 H 0.656 0.000 . 529 52 53 VAL HG2 H 0.802 0.000 . 530 52 53 VAL CA C 61.745 0.000 1 531 52 53 VAL CB C 32.967 0.000 1 532 52 53 VAL CG1 C 21.114 0.000 2 533 52 53 VAL CG2 C 20.924 0.000 2 534 52 53 VAL N N 121.656 0.000 1 535 53 54 HIS H H 9.188 0.000 1 536 53 54 HIS HA H 4.623 0.000 1 537 53 54 HIS HB2 H 3.027 0.000 2 538 53 54 HIS HB3 H 2.598 0.000 2 539 53 54 HIS HD2 H 6.916 0.000 1 540 53 54 HIS HE1 H 0.418 0.000 1 541 53 54 HIS CA C 54.866 0.000 1 542 53 54 HIS CB C 34.303 0.000 1 543 53 54 HIS CD2 C 119.111 0.000 1 544 53 54 HIS CE1 C 120.355 0.000 1 545 53 54 HIS N N 128.219 0.000 1 546 54 55 ARG H H 8.816 0.000 1 547 54 55 ARG HA H 5.027 0.000 1 548 54 55 ARG HB2 H 1.618 0.000 2 549 54 55 ARG HB3 H 1.321 0.000 2 550 54 55 ARG HG2 H 1.169 0.000 2 551 54 55 ARG HG3 H 1.490 0.000 2 552 54 55 ARG HD2 H 2.461 0.000 2 553 54 55 ARG HD3 H 2.298 0.000 2 554 54 55 ARG CA C 55.284 0.000 1 555 54 55 ARG CB C 30.757 0.000 1 556 54 55 ARG CG C 26.936 0.000 1 557 54 55 ARG CD C 43.146 0.000 1 558 54 55 ARG N N 122.125 0.000 1 559 55 56 VAL H H 9.444 0.000 1 560 55 56 VAL HA H 4.708 0.000 1 561 55 56 VAL HB H 1.963 0.000 1 562 55 56 VAL HG1 H 0.795 0.000 . 563 55 56 VAL HG2 H 0.917 0.000 . 564 55 56 VAL CA C 60.682 0.000 1 565 55 56 VAL CB C 35.467 0.000 1 566 55 56 VAL CG1 C 20.834 0.000 2 567 55 56 VAL CG2 C 22.086 0.000 2 568 55 56 VAL N N 124.229 0.000 1 569 56 57 ARG H H 9.124 0.000 1 570 56 57 ARG HA H 4.823 0.000 1 571 56 57 ARG HB2 H 1.702 0.000 2 572 56 57 ARG HB3 H 1.703 0.000 2 573 56 57 ARG HG2 H 1.686 0.000 2 574 56 57 ARG HG3 H 1.506 0.000 2 575 56 57 ARG HD2 H 3.114 0.000 2 576 56 57 ARG HD3 H 3.077 0.000 2 577 56 57 ARG CA C 53.324 0.000 1 578 56 57 ARG CB C 33.985 0.000 1 579 56 57 ARG CG C 26.212 0.000 1 580 56 57 ARG CD C 43.325 0.000 1 581 56 57 ARG N N 124.554 0.000 1 582 57 58 VAL H H 8.327 0.000 1 583 57 58 VAL HA H 3.355 0.000 1 584 57 58 VAL HB H 1.832 0.000 1 585 57 58 VAL HG1 H 0.866 0.000 . 586 57 58 VAL HG2 H 0.867 0.000 . 587 57 58 VAL CA C 65.446 0.000 1 588 57 58 VAL CB C 30.932 0.000 1 589 57 58 VAL CG1 C 21.123 0.000 2 590 57 58 VAL CG2 C 22.604 0.000 2 591 57 58 VAL N N 120.250 0.000 1 592 58 59 GLY H H 9.097 0.000 1 593 58 59 GLY HA2 H 3.266 0.000 2 594 58 59 GLY HA3 H 4.473 0.000 2 595 58 59 GLY CA C 44.575 0.000 1 596 58 59 GLY N N 117.437 0.000 1 597 59 60 ASP H H 7.800 0.000 1 598 59 60 ASP HA H 4.951 0.000 1 599 59 60 ASP HB2 H 3.025 0.000 2 600 59 60 ASP HB3 H 3.097 0.000 2 601 59 60 ASP CA C 54.342 0.000 1 602 59 60 ASP CB C 41.758 0.000 1 603 59 60 ASP N N 121.031 0.000 1 604 60 61 TYR H H 7.834 0.000 1 605 60 61 TYR HA H 5.590 0.000 1 606 60 61 TYR HB2 H 2.609 0.000 2 607 60 61 TYR HB3 H 2.705 0.000 2 608 60 61 TYR HD1 H 6.748 0.000 3 609 60 61 TYR HD2 H 6.748 0.000 3 610 60 61 TYR HE1 H 6.651 0.000 3 611 60 61 TYR HE2 H 6.651 0.000 3 612 60 61 TYR CA C 56.792 0.000 1 613 60 61 TYR CB C 42.570 0.000 1 614 60 61 TYR CD1 C 131.855 0.000 3 615 60 61 TYR CD2 C 131.855 0.000 3 616 60 61 TYR CE1 C 116.146 0.000 3 617 60 61 TYR CE2 C 116.146 0.000 3 618 60 61 TYR N N 115.406 0.000 1 619 61 62 LEU H H 9.362 0.000 1 620 61 62 LEU HA H 4.301 0.000 1 621 61 62 LEU HB2 H 1.461 0.000 2 622 61 62 LEU HB3 H 1.320 0.000 2 623 61 62 LEU HG H 0.500 0.000 1 624 61 62 LEU HD1 H 0.596 0.000 . 625 61 62 LEU HD2 H 0.597 0.000 . 626 61 62 LEU CA C 53.997 0.000 1 627 61 62 LEU CB C 46.770 0.000 1 628 61 62 LEU CG C 25.837 0.000 1 629 61 62 LEU CD1 C 24.875 0.000 2 630 61 62 LEU CD2 C 24.876 0.000 2 631 61 62 LEU N N 117.750 0.000 1 632 62 63 GLY H H 7.945 0.000 1 633 62 63 GLY HA2 H 5.068 0.000 2 634 62 63 GLY HA3 H 4.259 0.000 2 635 62 63 GLY CA C 44.288 0.000 1 636 62 63 GLY N N 107.303 0.000 1 637 63 64 ARG H H 8.424 0.000 1 638 63 64 ARG HA H 4.441 0.000 1 639 63 64 ARG HB2 H 2.131 0.000 2 640 63 64 ARG HB3 H 2.130 0.000 2 641 63 64 ARG HG2 H 1.530 0.000 2 642 63 64 ARG HG3 H 1.529 0.000 2 643 63 64 ARG HD2 H 3.016 0.000 2 644 63 64 ARG HD3 H 3.015 0.000 2 645 63 64 ARG CA C 57.269 0.000 1 646 63 64 ARG CB C 30.746 0.000 1 647 63 64 ARG CG C 27.323 0.000 1 648 63 64 ARG CD C 42.868 0.000 1 649 63 64 ARG N N 113.687 0.000 1 650 64 65 ASN H H 9.529 0.000 1 651 64 65 ASN HA H 5.499 0.000 1 652 64 65 ASN HB2 H 3.337 0.000 2 653 64 65 ASN HB3 H 2.106 0.000 2 654 64 65 ASN HD21 H 7.130 0.000 2 655 64 65 ASN HD22 H 7.998 0.000 2 656 64 65 ASN CA C 53.356 0.000 1 657 64 65 ASN CB C 39.516 0.000 1 658 64 65 ASN N N 121.626 0.000 1 659 64 65 ASN ND2 N 112.713 0.000 1 660 65 66 ASP H H 9.397 0.000 1 661 65 66 ASP HA H 3.899 0.000 1 662 65 66 ASP HB2 H 2.815 0.000 2 663 65 66 ASP HB3 H 2.775 0.000 2 664 65 66 ASP CA C 54.788 0.000 1 665 65 66 ASP CB C 39.420 0.000 1 666 65 66 ASP N N 116.656 0.000 1 667 66 67 GLY H H 7.424 0.000 1 668 66 67 GLY HA2 H 3.431 0.000 2 669 66 67 GLY HA3 H 4.005 0.000 2 670 66 67 GLY CA C 48.011 0.000 1 671 66 67 GLY N N 100.587 0.000 1 672 67 68 LYS H H 8.121 0.000 1 673 67 68 LYS HA H 3.848 0.000 1 674 67 68 LYS HB2 H 1.467 0.000 2 675 67 68 LYS HB3 H 1.560 0.000 2 676 67 68 LYS HG2 H 0.503 0.000 2 677 67 68 LYS HG3 H 0.856 0.000 2 678 67 68 LYS HD2 H 1.500 0.000 2 679 67 68 LYS HD3 H 1.501 0.000 2 680 67 68 LYS HE2 H 2.847 0.000 2 681 67 68 LYS HE3 H 2.846 0.000 2 682 67 68 LYS CA C 54.979 0.000 1 683 67 68 LYS CB C 34.457 0.000 1 684 67 68 LYS CG C 24.245 0.000 1 685 67 68 LYS CD C 29.544 0.000 1 686 67 68 LYS CE C 41.758 0.000 1 687 67 68 LYS N N 130.952 0.000 1 688 68 69 VAL H H 9.113 0.000 1 689 68 69 VAL HA H 4.112 0.000 1 690 68 69 VAL HB H 2.179 0.000 1 691 68 69 VAL HG1 H 0.684 0.000 . 692 68 69 VAL HG2 H 0.755 0.000 . 693 68 69 VAL CA C 63.283 0.000 1 694 68 69 VAL CB C 30.734 0.000 1 695 68 69 VAL CG1 C 21.544 0.000 2 696 68 69 VAL CG2 C 22.111 0.000 2 697 68 69 VAL N N 126.813 0.000 1 698 69 70 VAL H H 8.968 0.000 1 699 69 70 VAL HA H 4.605 0.000 1 700 69 70 VAL HB H 2.334 0.000 1 701 69 70 VAL HG1 H 0.683 0.000 . 702 69 70 VAL HG2 H 0.873 0.000 . 703 69 70 VAL CA C 60.897 0.000 1 704 69 70 VAL CB C 32.643 0.000 1 705 69 70 VAL CG1 C 18.162 0.000 2 706 69 70 VAL CG2 C 20.846 0.000 2 707 69 70 VAL N N 122.594 0.000 1 708 70 71 GLY H H 7.638 0.000 1 709 70 71 GLY HA2 H 4.284 0.000 2 710 70 71 GLY HA3 H 3.993 0.000 2 711 70 71 GLY CA C 46.199 0.000 1 712 70 71 GLY N N 110.562 0.000 1 713 71 72 ILE H H 8.404 0.000 1 714 71 72 ILE HA H 4.459 0.000 1 715 71 72 ILE HB H 1.395 0.000 1 716 71 72 ILE HG12 H 0.869 0.000 2 717 71 72 ILE HG13 H 0.868 0.000 2 718 71 72 ILE HG2 H 0.692 0.000 . 719 71 72 ILE HD1 H 0.885 0.000 . 720 71 72 ILE CA C 61.374 0.000 1 721 71 72 ILE CB C 42.381 0.000 1 722 71 72 ILE CG1 C 28.109 0.000 1 723 71 72 ILE CG2 C 17.904 0.000 1 724 71 72 ILE CD1 C 15.132 0.000 1 725 71 72 ILE N N 123.063 0.000 1 726 72 73 SER H H 8.801 0.000 1 727 72 73 SER HA H 4.723 0.000 1 728 72 73 SER HB2 H 4.030 0.000 2 729 72 73 SER HB3 H 3.884 0.000 2 730 72 73 SER CA C 56.220 0.000 1 731 72 73 SER CB C 65.450 0.000 1 732 72 73 SER N N 123.531 0.000 1 733 73 74 GLU H H 8.537 0.000 1 734 73 74 GLU HA H 4.304 0.000 1 735 73 74 GLU HB2 H 1.978 0.000 2 736 73 74 GLU HB3 H 1.979 0.000 2 737 73 74 GLU HG2 H 2.260 0.000 2 738 73 74 GLU HG3 H 2.261 0.000 2 739 73 74 GLU CA C 55.730 0.000 1 740 73 74 GLU CB C 29.102 0.000 1 741 73 74 GLU CG C 36.250 0.000 1 742 73 74 GLU N N 116.656 0.000 1 743 74 75 GLY H H 8.124 0.000 1 744 74 75 GLY HA2 H 3.669 0.000 2 745 74 75 GLY HA3 H 4.301 0.000 2 746 74 75 GLY CA C 45.018 0.000 1 747 74 75 GLY N N 102.989 0.000 1 748 75 76 LYS H H 7.546 0.000 1 749 75 76 LYS HA H 5.261 0.000 1 750 75 76 LYS HB2 H 1.857 0.000 2 751 75 76 LYS HB3 H 1.477 0.000 2 752 75 76 LYS HG2 H 1.106 0.000 2 753 75 76 LYS HG3 H 1.107 0.000 2 754 75 76 LYS HD2 H 1.486 0.000 2 755 75 76 LYS HD3 H 1.485 0.000 2 756 75 76 LYS HE2 H 2.884 0.000 2 757 75 76 LYS HE3 H 2.883 0.000 2 758 75 76 LYS CA C 56.601 0.000 1 759 75 76 LYS CB C 35.411 0.000 1 760 75 76 LYS CG C 23.437 0.000 1 761 75 76 LYS CD C 29.451 0.000 1 762 75 76 LYS CE C 41.388 0.000 1 763 75 76 LYS N N 120.094 0.000 1 764 76 77 ILE H H 8.776 0.000 1 765 76 77 ILE HA H 4.550 0.000 1 766 76 77 ILE HB H 1.718 0.000 1 767 76 77 ILE HG12 H 2.069 0.000 2 768 76 77 ILE HG13 H 2.070 0.000 2 769 76 77 ILE HG2 H 0.850 0.000 . 770 76 77 ILE HD1 H 0.661 0.000 . 771 76 77 ILE CA C 59.847 0.000 1 772 76 77 ILE CB C 41.616 0.000 1 773 76 77 ILE CG1 C 26.860 0.000 1 774 76 77 ILE CG2 C 18.810 0.000 1 775 76 77 ILE CD1 C 15.386 0.000 1 776 76 77 ILE N N 121.344 0.000 1 777 77 78 ASP H H 8.964 0.000 1 778 77 78 ASP HA H 5.201 0.000 1 779 77 78 ASP HB2 H 2.696 0.000 2 780 77 78 ASP HB3 H 2.226 0.000 2 781 77 78 ASP CA C 54.120 0.000 1 782 77 78 ASP CB C 42.952 0.000 1 783 77 78 ASP N N 126.813 0.000 1 784 78 79 VAL H H 9.060 0.000 1 785 78 79 VAL HA H 5.179 0.000 1 786 78 79 VAL HB H 1.705 0.000 1 787 78 79 VAL HG1 H 0.637 0.000 . 788 78 79 VAL HG2 H 0.715 0.000 . 789 78 79 VAL CA C 59.274 0.000 1 790 78 79 VAL CB C 36.079 0.000 1 791 78 79 VAL CG1 C 21.154 0.000 2 792 78 79 VAL CG2 C 22.202 0.000 2 793 78 79 VAL N N 124.156 0.000 1 794 79 80 ILE H H 8.812 0.000 1 795 79 80 ILE HA H 4.495 0.000 1 796 79 80 ILE HB H 1.750 0.000 1 797 79 80 ILE HG12 H 1.548 0.000 2 798 79 80 ILE HG13 H 1.014 0.000 2 799 79 80 ILE HG2 H 0.851 0.000 . 800 79 80 ILE HD1 H 0.835 0.000 . 801 79 80 ILE CA C 61.183 0.000 1 802 79 80 ILE CB C 39.287 0.000 1 803 79 80 ILE CG1 C 27.323 0.000 1 804 79 80 ILE CG2 C 12.900 0.000 1 805 79 80 ILE CD1 C 17.792 0.000 1 806 79 80 ILE N N 126.656 0.000 1 807 80 81 GLU H H 8.283 0.000 1 808 80 81 GLU HA H 4.622 0.000 1 809 80 81 GLU HB2 H 2.018 0.000 2 810 80 81 GLU HB3 H 2.019 0.000 2 811 80 81 GLU HG2 H 2.162 0.000 2 812 80 81 GLU HG3 H 2.024 0.000 2 813 80 81 GLU CA C 55.074 0.000 1 814 80 81 GLU CB C 32.643 0.000 1 815 80 81 GLU CG C 37.988 0.000 1 816 80 81 GLU N N 126.656 0.000 1 817 81 82 ILE H H 8.252 0.000 1 818 81 82 ILE HA H 5.033 0.000 1 819 81 82 ILE HB H 1.577 0.000 1 820 81 82 ILE HG12 H 1.051 0.000 2 821 81 82 ILE HG13 H 1.050 0.000 2 822 81 82 ILE HG2 H 0.672 0.000 . 823 81 82 ILE HD1 H 0.689 0.000 . 824 81 82 ILE CA C 60.228 0.000 1 825 81 82 ILE CB C 39.038 0.000 1 826 81 82 ILE CG1 C 26.675 0.000 1 827 81 82 ILE CG2 C 18.440 0.000 1 828 81 82 ILE CD1 C 13.217 0.000 1 829 81 82 ILE N N 120.094 0.000 1 830 82 83 VAL H H 9.201 0.000 1 831 82 83 VAL HA H 5.222 0.000 1 832 82 83 VAL HB H 2.247 0.000 1 833 82 83 VAL HG1 H 0.791 0.000 . 834 82 83 VAL HG2 H 0.678 0.000 . 835 82 83 VAL CA C 57.223 0.000 1 836 82 83 VAL CB C 33.593 0.000 1 837 82 83 VAL CG1 C 19.048 0.000 2 838 82 83 VAL CG2 C 18.324 0.000 2 839 82 83 VAL N N 120.094 0.000 1 840 83 84 PRO HA H 4.375 0.000 1 841 83 84 PRO HB2 H 1.634 0.000 2 842 83 84 PRO HB3 H 1.633 0.000 2 843 83 84 PRO HG2 H 1.988 0.000 2 844 83 84 PRO HG3 H 1.843 0.000 2 845 83 84 PRO HD2 H 3.961 0.000 2 846 83 84 PRO HD3 H 3.748 0.000 2 847 83 84 PRO CA C 62.042 0.000 1 848 83 84 PRO CB C 31.857 0.000 1 849 83 84 PRO CG C 26.860 0.000 1 850 83 84 PRO CD C 50.456 0.000 1 851 84 85 ASP H H 8.083 0.000 1 852 84 85 ASP HA H 4.505 0.000 1 853 84 85 ASP HB2 H 2.945 0.000 2 854 84 85 ASP HB3 H 2.188 0.000 2 855 84 85 ASP CA C 52.497 0.000 1 856 84 85 ASP CB C 41.234 0.000 1 857 84 85 ASP N N 120.250 0.000 1 858 85 86 GLY H H 8.160 0.000 1 859 85 86 GLY HA2 H 3.647 0.000 2 860 85 86 GLY HA3 H 4.194 0.000 2 861 85 86 GLY CA C 45.052 0.000 1 862 85 86 GLY N N 109.156 0.000 1 863 86 87 GLU H H 8.663 0.000 1 864 86 87 GLU HA H 4.441 0.000 1 865 86 87 GLU HB2 H 1.713 0.000 2 866 86 87 GLU HB3 H 1.712 0.000 2 867 86 87 GLU HG2 H 2.071 0.000 2 868 86 87 GLU HG3 H 2.072 0.000 2 869 86 87 GLU CA C 54.979 0.000 1 870 86 87 GLU CB C 30.162 0.000 1 871 86 87 GLU CG C 35.836 0.000 1 872 86 87 GLU N N 120.719 0.000 1 873 87 88 GLY H H 8.417 0.000 1 874 87 88 GLY HA2 H 4.215 0.000 2 875 87 88 GLY HA3 H 3.449 0.000 2 876 87 88 GLY CA C 44.765 0.000 1 877 87 88 GLY N N 109.312 0.000 1 878 88 89 ASN H H 8.331 0.000 1 879 88 89 ASN HA H 4.997 0.000 1 880 88 89 ASN HB2 H 2.842 0.000 2 881 88 89 ASN HB3 H 2.727 0.000 2 882 88 89 ASN HD21 H 6.933 0.000 2 883 88 89 ASN HD22 H 8.519 0.000 2 884 88 89 ASN CA C 50.970 0.000 1 885 88 89 ASN CB C 40.088 0.000 1 886 88 89 ASN N N 119.625 0.000 1 887 88 89 ASN ND2 N 118.424 0.000 1 888 89 90 TRP H H 8.538 0.000 1 889 89 90 TRP HA H 5.161 0.000 1 890 89 90 TRP HB2 H 3.009 0.000 2 891 89 90 TRP HB3 H 2.909 0.000 2 892 89 90 TRP HD1 H 7.153 0.000 1 893 89 90 TRP HE1 H 10.264 0.000 1 894 89 90 TRP HE3 H 7.312 0.000 1 895 89 90 TRP HZ2 H 7.434 0.000 1 896 89 90 TRP HZ3 H 7.053 0.000 1 897 89 90 TRP HH2 H 7.190 0.000 1 898 89 90 TRP CA C 56.770 0.000 1 899 89 90 TRP CB C 32.261 0.000 1 900 89 90 TRP CD1 C 125.602 0.000 1 901 89 90 TRP CE3 C 119.471 0.000 1 902 89 90 TRP CZ2 C 113.522 0.000 1 903 89 90 TRP CZ3 C 120.790 0.000 1 904 89 90 TRP CH2 C 123.604 0.000 1 905 89 90 TRP N N 121.188 0.000 1 906 89 90 TRP NE1 N 129.757 0.000 1 907 90 91 LEU H H 9.518 0.000 1 908 90 91 LEU HA H 4.815 0.000 1 909 90 91 LEU HB2 H 1.601 0.000 2 910 90 91 LEU HB3 H 1.600 0.000 2 911 90 91 LEU HG H 0.849 0.000 1 912 90 91 LEU HD1 H 0.853 0.000 . 913 90 91 LEU HD2 H 0.854 0.000 . 914 90 91 LEU CA C 53.356 0.000 1 915 90 91 LEU CB C 45.243 0.000 1 916 90 91 LEU CG C 26.781 0.000 1 917 90 91 LEU CD1 C 25.416 0.000 2 918 90 91 LEU CD2 C 24.473 0.000 2 919 90 91 LEU N N 121.031 0.000 1 920 91 92 GLU H H 8.490 0.000 1 921 91 92 GLU HA H 5.052 0.000 1 922 91 92 GLU HB2 H 2.034 0.000 2 923 91 92 GLU HB3 H 1.792 0.000 2 924 91 92 GLU HG2 H 2.401 0.000 2 925 91 92 GLU HG3 H 2.044 0.000 2 926 91 92 GLU CA C 55.360 0.000 1 927 91 92 GLU CB C 31.402 0.000 1 928 91 92 GLU CG C 37.779 0.000 1 929 91 92 GLU N N 119.156 0.000 1 930 92 93 ARG H H 9.283 0.000 1 931 92 93 ARG HA H 5.064 0.000 1 932 92 93 ARG HB2 H 1.970 0.000 2 933 92 93 ARG HB3 H 1.461 0.000 2 934 92 93 ARG HG2 H 1.725 0.000 2 935 92 93 ARG HG3 H 1.483 0.000 2 936 92 93 ARG HD2 H 3.281 0.000 2 937 92 93 ARG HD3 H 3.138 0.000 2 938 92 93 ARG CA C 52.694 0.000 1 939 92 93 ARG CB C 34.161 0.000 1 940 92 93 ARG CG C 26.000 0.000 1 941 92 93 ARG CD C 43.698 0.000 1 942 92 93 ARG N N 124.938 0.000 1 943 93 94 PRO HA H 5.243 0.000 1 944 93 94 PRO HB2 H 1.971 0.000 2 945 93 94 PRO HB3 H 2.322 0.000 2 946 93 94 PRO HG2 H 2.152 0.000 2 947 93 94 PRO HG3 H 1.972 0.000 2 948 93 94 PRO HD2 H 3.736 0.000 2 949 93 94 PRO HD3 H 3.875 0.000 2 950 93 94 PRO CA C 62.253 0.000 1 951 93 94 PRO CB C 32.574 0.000 1 952 93 94 PRO CG C 26.869 0.000 1 953 93 94 PRO CD C 51.257 0.000 1 954 94 95 ARG H H 9.115 0.000 1 955 94 95 ARG HA H 4.696 0.000 1 956 94 95 ARG HB2 H 1.850 0.000 2 957 94 95 ARG HB3 H 1.726 0.000 2 958 94 95 ARG HG2 H 1.478 0.000 2 959 94 95 ARG HG3 H 1.361 0.000 2 960 94 95 ARG HD2 H 3.131 0.000 2 961 94 95 ARG HD3 H 3.060 0.000 2 962 94 95 ARG CA C 54.623 0.000 1 963 94 95 ARG CB C 33.392 0.000 1 964 94 95 ARG CG C 25.935 0.000 1 965 94 95 ARG CD C 43.331 0.000 1 966 94 95 ARG N N 120.416 0.000 1 967 95 96 SER H H 8.676 0.000 1 968 95 96 SER HA H 5.781 0.000 1 969 95 96 SER HB2 H 3.766 0.000 2 970 95 96 SER HB3 H 3.547 0.000 2 971 95 96 SER CA C 56.824 0.000 1 972 95 96 SER CB C 65.906 0.000 1 973 95 96 SER N N 115.719 0.000 1 974 96 97 LEU H H 9.030 0.000 1 975 96 97 LEU HA H 4.873 0.000 1 976 96 97 LEU HB2 H 1.535 0.000 2 977 96 97 LEU HB3 H 1.761 0.000 2 978 96 97 LEU HG H 1.761 0.000 1 979 96 97 LEU HD1 H 0.747 0.000 . 980 96 97 LEU HD2 H 0.779 0.000 . 981 96 97 LEU CA C 55.034 0.000 1 982 96 97 LEU CB C 42.931 0.000 1 983 96 97 LEU CG C 28.792 0.000 1 984 96 97 LEU CD1 C 25.854 0.000 2 985 96 97 LEU CD2 C 24.914 0.000 2 986 96 97 LEU N N 126.188 0.000 1 987 97 98 THR H H 8.410 0.000 1 988 97 98 THR HA H 4.869 0.000 1 989 97 98 THR HB H 4.213 0.000 1 990 97 98 THR HG2 H 1.185 0.000 . 991 97 98 THR CA C 60.265 0.000 1 992 97 98 THR CB C 70.650 0.000 1 993 97 98 THR CG2 C 21.895 0.000 1 994 97 98 THR N N 113.687 0.000 1 995 98 99 LEU H H 7.806 0.000 1 996 98 99 LEU HA H 4.085 0.000 1 997 98 99 LEU HB2 H 1.745 0.000 2 998 98 99 LEU HB3 H 1.520 0.000 2 999 98 99 LEU HG H 1.527 0.000 1 1000 98 99 LEU HD1 H 0.857 0.000 . 1001 98 99 LEU HD2 H 0.849 0.000 . 1002 98 99 LEU CA C 55.771 0.000 1 1003 98 99 LEU CB C 43.053 0.000 1 1004 98 99 LEU CG C 26.752 0.000 1 1005 98 99 LEU CD1 C 25.350 0.000 2 1006 98 99 LEU CD2 C 24.084 0.000 2 1007 98 99 LEU N N 126.344 0.000 1 1008 99 100 LYS H H 8.816 0.000 1 1009 99 100 LYS HA H 4.395 0.000 1 1010 99 100 LYS HB2 H 1.679 0.000 2 1011 99 100 LYS HB3 H 1.680 0.000 2 1012 99 100 LYS HG2 H 1.374 0.000 2 1013 99 100 LYS HG3 H 1.375 0.000 2 1014 99 100 LYS HD2 H 1.781 0.000 2 1015 99 100 LYS HD3 H 1.780 0.000 2 1016 99 100 LYS HE2 H 2.972 0.000 2 1017 99 100 LYS HE3 H 2.971 0.000 2 1018 99 100 LYS CA C 55.915 0.000 1 1019 99 100 LYS CB C 33.060 0.000 1 1020 99 100 LYS CG C 24.588 0.000 1 1021 99 100 LYS CD C 29.077 0.000 1 1022 99 100 LYS CE C 41.958 0.000 1 1023 99 100 LYS N N 128.063 0.000 1 1024 100 101 GLU H H 8.323 0.000 1 1025 100 101 GLU HA H 3.989 0.000 1 1026 100 101 GLU HB2 H 2.625 0.000 2 1027 100 101 GLU HB3 H 2.626 0.000 2 1028 100 101 GLU HG2 H 2.282 0.000 2 1029 100 101 GLU HG3 H 2.283 0.000 2 1030 100 101 GLU CA C 55.970 0.000 1 1031 100 101 GLU CB C 30.589 0.000 1 1032 100 101 GLU CG C 36.294 0.000 1 1033 100 101 GLU N N 123.531 0.000 1 1034 101 102 ARG H H 8.414 0.000 1 1035 101 102 ARG HA H 4.367 0.000 1 1036 101 102 ARG HB2 H 1.829 0.000 2 1037 101 102 ARG HB3 H 1.828 0.000 2 1038 101 102 ARG HG2 H 1.637 0.000 2 1039 101 102 ARG HG3 H 1.638 0.000 2 1040 101 102 ARG HD2 H 3.191 0.000 2 1041 101 102 ARG HD3 H 3.190 0.000 2 1042 101 102 ARG CA C 55.774 0.000 1 1043 101 102 ARG CB C 30.559 0.000 1 1044 101 102 ARG CG C 27.084 0.000 1 1045 101 102 ARG CD C 43.202 0.000 1 1046 101 102 ARG N N 122.965 0.000 1 1047 102 103 SER H H 8.423 0.000 1 1048 102 103 SER HA H 4.431 0.000 1 1049 102 103 SER HB2 H 3.875 0.000 2 1050 102 103 SER HB3 H 3.874 0.000 2 1051 102 103 SER CA C 58.079 0.000 1 1052 102 103 SER CB C 63.554 0.000 1 1053 102 103 SER N N 117.435 0.000 1 1054 103 104 LEU H H 8.369 0.000 1 1055 103 104 LEU HA H 4.324 0.000 1 1056 103 104 LEU HB2 H 1.595 0.000 2 1057 103 104 LEU HB3 H 1.596 0.000 2 1058 103 104 LEU HG H 1.597 0.000 1 1059 103 104 LEU HD1 H 0.868 0.000 . 1060 103 104 LEU HD2 H 0.869 0.000 . 1061 103 104 LEU CA C 55.124 0.000 1 1062 103 104 LEU CB C 41.989 0.000 1 1063 103 104 LEU CG C 26.815 0.000 1 1064 103 104 LEU CD1 C 24.858 0.000 2 1065 103 104 LEU CD2 C 23.153 0.000 2 1066 103 104 LEU N N 124.423 0.000 1 1067 104 105 GLU H H 8.249 0.000 1 1068 104 105 GLU HA H 4.014 0.000 1 1069 104 105 GLU HB2 H 2.380 0.000 2 1070 104 105 GLU HB3 H 2.381 0.000 2 1071 104 105 GLU CA C 57.945 0.000 1 1072 104 105 GLU CB C 29.846 0.000 1 1073 104 105 GLU CG C 34.077 0.000 1 1074 104 105 GLU N N 120.875 0.000 1 1075 105 106 HIS H H 8.274 0.000 1 1076 105 106 HIS CA C 56.608 0.000 1 1077 105 106 HIS CB C 32.448 0.000 1 1078 105 106 HIS N N 120.719 0.000 1 1079 106 107 HIS HA H 4.586 0.000 1 1080 106 107 HIS HB2 H 3.074 0.000 2 1081 106 107 HIS HB3 H 3.075 0.000 2 1082 106 107 HIS CA C 55.804 0.000 1 1083 106 107 HIS CB C 30.424 0.000 1 1084 107 108 HIS H H 7.941 0.000 1 1085 107 108 HIS CA C 57.105 0.000 1 1086 107 108 HIS CB C 30.424 0.000 1 1087 107 108 HIS N N 125.843 0.000 1 stop_ save_