data_15008 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Side Chain 1H, 13C and 15N Chemical Shift Assignments for Sporulation Phosphotransferase F Mutant H101A ; _BMRB_accession_number 15008 _BMRB_flat_file_name bmr15008.str _Entry_type original _Submission_date 2006-11-01 _Accession_date 2006-11-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'H101A mutation of Spo0F from Bacillus subtilis' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McLaughlin Patrick D. . 2 Bobay Benjamin G. . 3 Regel Erin J. . 4 Thompson Richele J. . 5 Hoch James A. . 6 Cavanagh John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 608 "13C chemical shifts" 519 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-05-09 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15009 'Spo0F I90A mutant' 15010 'Spo0F L66A mutant' 15011 'Spo0F Y13A mutant' stop_ _Original_release_date 2007-05-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Predominantly buried residues in the response regulator Spo0F influence specific sensor kinase recognition' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17350627 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McLaughlin Patrick D. . 2 Bobay Benjamin G. . 3 Regel Erin J. . 4 Thompson Richele J. . 5 Hoch James A. . 6 Cavanagh John . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 581 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1425 _Page_last 1429 _Year 2007 _Details . loop_ _Keyword mutant Spo0F sporulation 'surface recognition' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Spo0FH101A monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Spo0FH101A monomer' $Spo0FH101A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function phosphotransferase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Spo0FH101A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Spo0FH101A _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function phosphotransferase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; MMNEKILIVDDQYGIRILLN EVFNKEGYQTFQAANGLQAL DIVTKERPDLVLLDMKIPGM DGIEILKRMKVIDENIRVII MTAYGELDMIQESKELGALT AFAKPFDIDEIRDAVKKYLP LKSNLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 ASN 4 GLU 5 LYS 6 ILE 7 LEU 8 ILE 9 VAL 10 ASP 11 ASP 12 GLN 13 TYR 14 GLY 15 ILE 16 ARG 17 ILE 18 LEU 19 LEU 20 ASN 21 GLU 22 VAL 23 PHE 24 ASN 25 LYS 26 GLU 27 GLY 28 TYR 29 GLN 30 THR 31 PHE 32 GLN 33 ALA 34 ALA 35 ASN 36 GLY 37 LEU 38 GLN 39 ALA 40 LEU 41 ASP 42 ILE 43 VAL 44 THR 45 LYS 46 GLU 47 ARG 48 PRO 49 ASP 50 LEU 51 VAL 52 LEU 53 LEU 54 ASP 55 MET 56 LYS 57 ILE 58 PRO 59 GLY 60 MET 61 ASP 62 GLY 63 ILE 64 GLU 65 ILE 66 LEU 67 LYS 68 ARG 69 MET 70 LYS 71 VAL 72 ILE 73 ASP 74 GLU 75 ASN 76 ILE 77 ARG 78 VAL 79 ILE 80 ILE 81 MET 82 THR 83 ALA 84 TYR 85 GLY 86 GLU 87 LEU 88 ASP 89 MET 90 ILE 91 GLN 92 GLU 93 SER 94 LYS 95 GLU 96 LEU 97 GLY 98 ALA 99 LEU 100 THR 101 ALA 102 PHE 103 ALA 104 LYS 105 PRO 106 PHE 107 ASP 108 ILE 109 ASP 110 GLU 111 ILE 112 ARG 113 ASP 114 ALA 115 VAL 116 LYS 117 LYS 118 TYR 119 LEU 120 PRO 121 LEU 122 LYS 123 SER 124 ASN 125 LEU 126 GLU 127 HIS 128 HIS 129 HIS 130 HIS 131 HIS 132 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15009 Spo0FI90A 100.00 144 98.48 98.48 4.17e-87 BMRB 15010 Spo0FL66A 100.00 132 98.48 98.48 3.65e-87 BMRB 15011 Spo0FY13A 100.00 132 98.48 98.48 1.16e-86 PDB 1F51 "A Transient Interaction Between Two Phosphorelay Proteins Trapped In A Crystal Lattice Reveals The Mechanism Of Molecular Recog" 90.15 119 98.32 98.32 3.61e-75 PDB 1FSP "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, 20 Structures" 93.94 124 99.19 99.19 1.79e-80 PDB 1NAT "Crystal Structure Of Spoof From Bacillus Subtilis" 93.94 124 99.19 99.19 1.79e-80 PDB 1PEY "Crystal Structure Of The Response Regulator Spo0f Complexed With Mn2+" 93.94 124 98.39 98.39 2.93e-79 PDB 1PUX "Nmr Solution Structure Of Bef3-Activated Spo0f, 20 Conformers" 93.94 124 99.19 99.19 1.79e-80 PDB 1SRR "Crystal Structure Of A Phosphatase Resistant Mutant Of Sporulation Response Regulator Spo0f From Bacillus Subtilis" 93.94 124 98.39 98.39 2.93e-79 PDB 2FSP "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, Minimized Average Structure" 93.94 124 99.19 99.19 1.79e-80 PDB 2FTK "Berylloflouride Spo0f Complex With Spo0b" 93.94 124 97.58 97.58 2.54e-78 PDB 2JVI "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant H101a From Bacillus Subtilis" 100.00 132 100.00 100.00 5.51e-89 PDB 2JVJ "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant I90a From Bacillus Subtilis" 100.00 132 98.48 98.48 3.27e-87 PDB 2JVK "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant L66a From Bacillus Subtilis" 100.00 132 98.48 98.48 3.65e-87 PDB 3Q15 "Crystal Structure Of Raph Complexed With Spo0f" 93.94 126 99.19 99.19 1.77e-80 DBJ BAI87374 "two-component response regulator [Bacillus subtilis subsp. natto BEST195]" 93.94 124 99.19 99.19 1.79e-80 DBJ BAM55796 "two-component response regulator [Bacillus subtilis BEST7613]" 93.18 123 99.19 99.19 1.24e-79 DBJ BAM59808 "two-component response regulator [Bacillus subtilis BEST7003]" 93.18 123 99.19 99.19 1.24e-79 DBJ GAK81027 "two-component response regulator [Bacillus subtilis Miyagi-4]" 93.94 124 99.19 99.19 1.79e-80 EMBL CAA27217 "unnamed protein product [Bacillus subtilis]" 93.94 124 99.19 99.19 1.79e-80 EMBL CAA89872 "spo0F [Bacillus subtilis subsp. subtilis str. 168]" 93.94 124 99.19 99.19 1.79e-80 EMBL CAB15730 "two-component response regulator [Bacillus subtilis subsp. subtilis str. 168]" 93.94 124 99.19 99.19 1.79e-80 EMBL CCU60811 "Sporulation initiation phosphotransferase (Spo0F) [Bacillus subtilis E1]" 93.94 124 99.19 99.19 1.79e-80 EMBL CEI59521 "sporulation initiation phosphotransferase F [Bacillus subtilis]" 93.94 124 99.19 99.19 1.79e-80 GB AAA16802 "spo0F [Bacillus subtilis]" 93.94 124 99.19 99.19 1.79e-80 GB AAA22787 "Spo0F protein [Bacillus subtilis]" 93.94 124 99.19 99.19 1.79e-80 GB ADM39703 "two-component response regulator [Bacillus subtilis subsp. spizizenii str. W23]" 93.18 123 99.19 99.19 1.24e-79 GB ADP34224 "two-component response regulator [Bacillus atrophaeus 1942]" 93.18 123 97.56 99.19 2.11e-78 GB ADV94523 "two-component response regulator [Bacillus subtilis BSn5]" 93.18 123 99.19 99.19 1.24e-79 PRF 1306301A "spo0F gene" 93.94 123 98.39 98.39 5.05e-78 REF NP_391594 "sporulation initiation phosphotransferase F [Bacillus subtilis subsp. subtilis str. 168]" 93.94 124 99.19 99.19 1.79e-80 REF WP_003221952 "MULTISPECIES: two-component system response regulator [Bacillales]" 93.18 123 99.19 99.19 1.24e-79 REF WP_003227621 "two-component system response regulator [Bacillus subtilis]" 93.94 124 99.19 99.19 1.79e-80 REF WP_003326524 "MULTISPECIES: two-component system response regulator [Bacillus subtilis group]" 93.18 123 97.56 99.19 8.35e-79 REF WP_010328945 "MULTISPECIES: two-component system response regulator [Bacillus]" 93.18 123 97.56 99.19 3.34e-78 SP P06628 "RecName: Full=Sporulation initiation phosphotransferase F; AltName: Full=Stage 0 sporulation protein F" 93.94 124 99.19 99.19 1.79e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Spo0FH101A 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $Spo0FH101A 'recombinant technology' . Escherichia coli BL21(DE)3 pET23 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Spo0FH101A . mM 1.0 2.0 '[U-99% 13C; U-99% 15N]' TRIS 25 mM . . none 'potassium chloride' 50 mM . . none stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'B Johnson, One Moon Scientific' . . 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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' 50 . mM pH 6.9 . pH pressure 1 . atm temperature 298 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.25144953 $entry_citation $entry_citation water H 1 protons ppm 4.74 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 $entry_citation $entry_citation 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 '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCACO' 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 'Spo0FH101A monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 MET HA H 4.444 0.001 1 2 2 2 MET HB2 H 2.007 0.001 2 3 2 2 MET HB3 H 2.137 0.001 2 4 2 2 MET HG2 H 2.52 0.001 2 5 2 2 MET CA C 53.334 0.2 1 6 2 2 MET CB C 24.587 0.2 1 7 2 2 MET CG C 30.146 0.2 1 8 3 3 ASN H H 8.449 0.001 1 9 3 3 ASN HA H 4.494 0.001 1 10 3 3 ASN HB2 H 2.866 0.001 2 11 3 3 ASN CA C 53.348 0.2 1 12 3 3 ASN CB C 30.219 0.2 1 13 3 3 ASN N N 117.625 0.2 1 14 4 4 GLU H H 8.442 0.001 1 15 4 4 GLU HA H 4.346 0.001 1 16 4 4 GLU HB2 H 2.22 0.001 2 17 4 4 GLU HB3 H 1.835 0.001 2 18 4 4 GLU HG2 H 2.423 0.001 2 19 4 4 GLU HG3 H 2.324 0.001 2 20 4 4 GLU C C 176.285 0.2 1 21 4 4 GLU CA C 56.731 0.2 1 22 4 4 GLU CB C 35.042 0.2 1 23 4 4 GLU CG C 28.961 0.2 1 24 4 4 GLU N N 117.659 0.2 1 25 5 5 LYS H H 9.283 0.001 1 26 5 5 LYS HA H 5.463 0.001 1 27 5 5 LYS HB2 H 1.942 0.001 2 28 5 5 LYS HG2 H 1.761 0.001 2 29 5 5 LYS HG3 H 1.46 0.001 2 30 5 5 LYS HD2 H 1.646 0.001 2 31 5 5 LYS HE2 H 3.124 0.001 2 32 5 5 LYS C C 176.646 0.2 1 33 5 5 LYS CA C 53.339 0.2 1 34 5 5 LYS CB C 35.865 0.2 1 35 5 5 LYS CG C 22.889 0.2 1 36 5 5 LYS CD C 28.379 0.2 1 37 5 5 LYS CE C 40.12 0.2 1 38 5 5 LYS N N 120.371 0.2 1 39 6 6 ILE H H 8.872 0.001 1 40 6 6 ILE HA H 4.9 0.001 1 41 6 6 ILE HB H 1.217 0.001 1 42 6 6 ILE HG12 H 1.009 0.001 2 43 6 6 ILE HG2 H 0.297 0.001 1 44 6 6 ILE HD1 H -0.641 0.001 1 45 6 6 ILE C C 174.706 0.2 1 46 6 6 ILE CA C 57.194 0.2 1 47 6 6 ILE CB C 40.439 0.2 1 48 6 6 ILE CG1 C 25.075 0.2 1 49 6 6 ILE CG2 C 14.565 0.2 1 50 6 6 ILE CD1 C 11.27 0.2 1 51 6 6 ILE N N 121.783 0.2 1 52 7 7 LEU H H 8.769 0.001 1 53 7 7 LEU HA H 5.15 0.001 1 54 7 7 LEU HB2 H 1.415 0.001 2 55 7 7 LEU HG H 1.054 0.001 1 56 7 7 LEU HD2 H 0.743 0.001 1 57 7 7 LEU C C 173.62 0.2 1 58 7 7 LEU CA C 50.697 0.2 1 59 7 7 LEU CB C 42.991 0.2 1 60 7 7 LEU CG C 21.506 0.2 1 61 7 7 LEU CD1 C 25.33 0.2 2 62 7 7 LEU N N 127.716 0.2 1 63 8 8 ILE H H 9.058 0.001 1 64 8 8 ILE HA H 4.358 0.001 1 65 8 8 ILE HB H 1.877 0.001 1 66 8 8 ILE HG12 H 1.656 0.001 2 67 8 8 ILE HG2 H 1.1 0.001 1 68 8 8 ILE HD1 H 0.961 0.001 1 69 8 8 ILE C C 174.02 0.2 1 70 8 8 ILE CA C 59.229 0.2 1 71 8 8 ILE CB C 38.738 0.2 1 72 8 8 ILE CG1 C 26.107 0.2 1 73 8 8 ILE CG2 C 17.713 0.2 1 74 8 8 ILE CD1 C 12.775 0.2 1 75 8 8 ILE N N 128.855 0.2 1 76 9 9 VAL H H 9.084 0.001 1 77 9 9 VAL HA H 4.922 0.001 1 78 9 9 VAL HB H 2.4 0.001 1 79 9 9 VAL HG1 H 0.685 0.001 1 80 9 9 VAL HG2 H 0.54 0.001 1 81 9 9 VAL C C 174.121 0.2 1 82 9 9 VAL CA C 57.77 0.2 1 83 9 9 VAL CB C 30.035 0.2 1 84 9 9 VAL CG1 C 19.007 0.2 2 85 9 9 VAL CG2 C 17.067 0.2 2 86 9 9 VAL N N 128.403 0.2 1 87 10 10 ASP H H 7.97 0.001 1 88 10 10 ASP HA H 4.708 0.001 1 89 10 10 ASP HB2 H 2.321 0.001 2 90 10 10 ASP HB3 H 2.37 0.001 2 91 10 10 ASP C C 175.495 0.2 1 92 10 10 ASP CA C 52.797 0.2 1 93 10 10 ASP CB C 43.212 0.2 1 94 10 10 ASP N N 123.454 0.2 1 95 11 11 ASP H H 9.134 0.001 1 96 11 11 ASP HA H 4.562 0.001 1 97 11 11 ASP HB2 H 2.672 0.001 2 98 11 11 ASP HB3 H 2.862 0.001 2 99 11 11 ASP C C 176.93 0.2 1 100 11 11 ASP CA C 53.673 0.2 1 101 11 11 ASP CB C 40.775 0.2 1 102 11 11 ASP N N 126.884 0.2 1 103 12 12 GLN H H 9.614 0.001 1 104 12 12 GLN HA H 4.362 0.001 1 105 12 12 GLN HB2 H 2.161 0.001 2 106 12 12 GLN HG2 H 2.473 0.001 2 107 12 12 GLN HG3 H 2.364 0.001 2 108 12 12 GLN CA C 53.23 0.2 1 109 12 12 GLN CB C 26.402 0.2 1 110 12 12 GLN CG C 32.097 0.2 1 111 12 12 GLN N N 120.897 0.2 1 112 13 13 TYR H H 8.892 0.001 1 113 13 13 TYR HA H 3.864 0.001 1 114 13 13 TYR HB2 H 2.898 0.001 2 115 13 13 TYR HB3 H 3.07 0.001 2 116 13 13 TYR C C 176.826 0.2 1 117 13 13 TYR CA C 59.744 0.2 1 118 13 13 TYR CB C 36.967 0.2 1 119 13 13 TYR N N 129.269 0.2 1 120 14 14 GLY H H 8.878 0.001 1 121 14 14 GLY HA2 H 3.566 0.001 2 122 14 14 GLY HA3 H 3.792 0.001 2 123 14 14 GLY C C 177.034 0.2 1 124 14 14 GLY CA C 44.585 0.2 1 125 14 14 GLY N N 103.673 0.2 1 126 15 15 ILE H H 6.951 0.001 1 127 15 15 ILE HA H 3.934 0.001 1 128 15 15 ILE HB H 2.072 0.001 1 129 15 15 ILE HG12 H 1.36 0.001 2 130 15 15 ILE HG2 H 0.659 0.001 1 131 15 15 ILE HD1 H 0.87 0.001 1 132 15 15 ILE C C 177.569 0.2 1 133 15 15 ILE CA C 59.59 0.2 1 134 15 15 ILE CB C 34.35 0.2 1 135 15 15 ILE CG1 C 25.476 0.2 1 136 15 15 ILE CG2 C 7.91 0.2 1 137 15 15 ILE CD1 C 15.815 0.2 1 138 15 15 ILE N N 120.425 0.2 1 139 16 16 ARG H H 7.879 0.001 1 140 16 16 ARG HA H 3.758 0.001 1 141 16 16 ARG HB2 H 1.673 0.001 2 142 16 16 ARG HB3 H 1.866 0.001 2 143 16 16 ARG HG2 H 1.23 0.001 2 144 16 16 ARG HD2 H 2.995 0.001 2 145 16 16 ARG C C 178.91 0.2 1 146 16 16 ARG CA C 59.181 0.2 1 147 16 16 ARG CB C 28.657 0.2 1 148 16 16 ARG CG C 26.558 0.2 1 149 16 16 ARG CD C 41.447 0.2 1 150 16 16 ARG N N 120.074 0.2 1 151 17 17 ILE H H 8.223 0.001 1 152 17 17 ILE HA H 3.728 0.001 1 153 17 17 ILE HB H 1.603 0.001 1 154 17 17 ILE HG12 H 1.098 0.001 2 155 17 17 ILE HG2 H 0.692 0.001 1 156 17 17 ILE C C 178.865 0.2 1 157 17 17 ILE CA C 61.105 0.2 1 158 17 17 ILE CB C 35.34 0.2 1 159 17 17 ILE CG1 C 25.239 0.2 1 160 17 17 ILE CG2 C 15.897 0.2 1 161 17 17 ILE CD1 C 10.216 0.2 1 162 17 17 ILE N N 115.287 0.2 1 163 18 18 LEU H H 7.247 0.001 1 164 18 18 LEU HA H 4.177 0.001 1 165 18 18 LEU HB2 H 1.739 0.001 2 166 18 18 LEU HB3 H 1.796 0.001 2 167 18 18 LEU HG H 1.512 0.001 1 168 18 18 LEU HD1 H 0.885 0.001 1 169 18 18 LEU C C 179.234 0.2 1 170 18 18 LEU CA C 55.904 0.2 1 171 18 18 LEU CB C 40.613 0.2 1 172 18 18 LEU CG C 23.288 0.2 1 173 18 18 LEU CD1 C 21.426 0.2 2 174 18 18 LEU CD2 C 25.138 0.2 2 175 18 18 LEU N N 124.052 0.2 1 176 19 19 LEU H H 8.205 0.001 1 177 19 19 LEU HA H 3.702 0.001 1 178 19 19 LEU HB2 H 1.141 0.001 2 179 19 19 LEU HG H 1.882 0.001 1 180 19 19 LEU HD1 H 0.788 0.001 1 181 19 19 LEU HD2 H 0.566 0.001 1 182 19 19 LEU C C 178.422 0.2 1 183 19 19 LEU CA C 55.334 0.2 1 184 19 19 LEU CB C 39.945 0.2 1 185 19 19 LEU CD1 C 24.463 0.2 2 186 19 19 LEU CD2 C 20.17 0.2 2 187 19 19 LEU N N 116.949 0.2 1 188 20 20 ASN H H 8.439 0.001 1 189 20 20 ASN HA H 4.084 0.001 1 190 20 20 ASN HB2 H 2.561 0.001 2 191 20 20 ASN HB3 H 2.804 0.001 2 192 20 20 ASN HD21 H 6.904 0.001 2 193 20 20 ASN HD22 H 7.587 0.001 2 194 20 20 ASN C C 177.066 0.2 1 195 20 20 ASN CA C 55.881 0.2 1 196 20 20 ASN CB C 38.415 0.2 1 197 20 20 ASN N N 117.626 0.2 1 198 20 20 ASN ND2 N 114.848 0.2 1 199 21 21 GLU H H 7.957 0.001 1 200 21 21 GLU HA H 3.999 0.001 1 201 21 21 GLU HB2 H 2.126 0.001 2 202 21 21 GLU HG2 H 2.224 0.001 2 203 21 21 GLU HG3 H 2.322 0.001 2 204 21 21 GLU C C 179.593 0.2 1 205 21 21 GLU CA C 57.427 0.2 1 206 21 21 GLU CB C 27.723 0.2 1 207 21 21 GLU CG C 33.937 0.2 1 208 21 21 GLU N N 118.591 0.2 1 209 22 22 VAL H H 7.953 0.001 1 210 22 22 VAL HA H 3.532 0.001 1 211 22 22 VAL HB H 1.69 0.001 1 212 22 22 VAL HG1 H 0.331 0.001 1 213 22 22 VAL HG2 H 0.856 0.001 1 214 22 22 VAL C C 179.171 0.2 1 215 22 22 VAL CA C 63.868 0.2 1 216 22 22 VAL CB C 29.949 0.2 1 217 22 22 VAL CG1 C 17.708 0.2 2 218 22 22 VAL CG2 C 20.782 0.2 2 219 22 22 VAL N N 118.607 0.2 1 220 23 23 PHE H H 8.13 0.001 1 221 23 23 PHE HA H 4.597 0.001 1 222 23 23 PHE HB2 H 2.848 0.001 2 223 23 23 PHE HB3 H 3.071 0.001 2 224 23 23 PHE C C 178.8 0.2 1 225 23 23 PHE CA C 58.87 0.2 1 226 23 23 PHE CB C 35.49 0.2 1 227 23 23 PHE N N 116.721 0.2 1 228 24 24 ASN H H 8.853 0.001 1 229 24 24 ASN HA H 4.87 0.001 1 230 24 24 ASN HB2 H 2.96 0.001 2 231 24 24 ASN HB3 H 2.739 0.001 2 232 24 24 ASN HD21 H 6.822 0.001 2 233 24 24 ASN HD22 H 7.794 0.001 2 234 24 24 ASN C C 180.129 0.2 1 235 24 24 ASN CA C 54.835 0.2 1 236 24 24 ASN CB C 37.003 0.2 1 237 24 24 ASN N N 121.899 0.2 1 238 24 24 ASN ND2 N 114.41 0.2 1 239 25 25 LYS H H 8.012 0.001 1 240 25 25 LYS HA H 4.046 0.001 1 241 25 25 LYS HB2 H 1.953 0.001 2 242 25 25 LYS HG2 H 1.587 0.001 2 243 25 25 LYS HG3 H 1.46 0.001 2 244 25 25 LYS HD2 H 1.648 0.001 2 245 25 25 LYS HE2 H 2.926 0.001 2 246 25 25 LYS C C 178.829 0.2 1 247 25 25 LYS CA C 57.091 0.2 1 248 25 25 LYS CB C 30.272 0.2 1 249 25 25 LYS CG C 23.315 0.2 1 250 25 25 LYS CD C 27.068 0.2 1 251 25 25 LYS CE C 40.113 0.2 1 252 25 25 LYS N N 120.855 0.2 1 253 26 26 GLU H H 7.312 0.001 1 254 26 26 GLU HA H 4.181 0.001 1 255 26 26 GLU HG2 H 2.22 0.001 2 256 26 26 GLU HG3 H 2.591 0.001 2 257 26 26 GLU C C 176.353 0.2 1 258 26 26 GLU CA C 54.358 0.2 1 259 26 26 GLU CB C 28.637 0.2 1 260 26 26 GLU CG C 33.761 0.2 1 261 26 26 GLU N N 115.585 0.2 1 262 27 27 GLY H H 7.512 0.001 1 263 27 27 GLY HA2 H 3.586 0.001 2 264 27 27 GLY HA3 H 4.211 0.001 2 265 27 27 GLY C C 174.626 0.2 1 266 27 27 GLY CA C 42.541 0.2 1 267 27 27 GLY N N 103.558 0.2 1 268 28 28 TYR H H 7.623 0.001 1 269 28 28 TYR HA H 4.43 0.001 1 270 28 28 TYR HB2 H 2.352 0.001 2 271 28 28 TYR HB3 H 2.819 0.001 2 272 28 28 TYR C C 176.52 0.2 1 273 28 28 TYR CA C 56.555 0.2 1 274 28 28 TYR CB C 36.839 0.2 1 275 28 28 TYR N N 119.108 0.2 1 276 29 29 GLN H H 8.794 0.001 1 277 29 29 GLN HA H 4.458 0.001 1 278 29 29 GLN HB2 H 1.952 0.001 2 279 29 29 GLN HG2 H 2.309 0.001 2 280 29 29 GLN HG3 H 2.288 0.001 2 281 29 29 GLN HE21 H 6.873 0.001 2 282 29 29 GLN HE22 H 7.455 0.001 2 283 29 29 GLN C C 175.837 0.2 1 284 29 29 GLN CA C 53.519 0.2 1 285 29 29 GLN CB C 27.787 0.2 1 286 29 29 GLN CG C 32.004 0.2 1 287 29 29 GLN N N 122.576 0.2 1 288 29 29 GLN NE2 N 112.168 0.2 1 289 30 30 THR H H 8.032 0.001 1 290 30 30 THR HA H 5.435 0.001 1 291 30 30 THR HB H 4.078 0.001 1 292 30 30 THR HG2 H 1.085 0.001 1 293 30 30 THR C C 174.147 0.2 1 294 30 30 THR CA C 57.686 0.2 1 295 30 30 THR CB C 69.174 0.2 1 296 30 30 THR CG2 C 20.926 0.2 1 297 30 30 THR N N 115.713 0.2 1 298 31 31 PHE H H 8.858 0.001 1 299 31 31 PHE HA H 4.784 0.001 1 300 31 31 PHE HB2 H 2.523 0.001 2 301 31 31 PHE HB3 H 3.145 0.001 2 302 31 31 PHE HE1 H 7.096 0.001 3 303 31 31 PHE C C 174.779 0.2 1 304 31 31 PHE CA C 54.188 0.2 1 305 31 31 PHE CB C 42.373 0.2 1 306 31 31 PHE N N 119.948 0.2 1 307 32 32 GLN H H 8.947 0.001 1 308 32 32 GLN HA H 5.345 0.001 1 309 32 32 GLN HB2 H 1.904 0.001 2 310 32 32 GLN HG2 H 2.286 0.001 2 311 32 32 GLN HG3 H 1.983 0.001 2 312 32 32 GLN HE21 H 6.61 0.001 2 313 32 32 GLN HE22 H 7.261 0.001 2 314 32 32 GLN C C 174.108 0.2 1 315 32 32 GLN CA C 52.637 0.2 1 316 32 32 GLN CB C 32.245 0.2 1 317 32 32 GLN N N 120.035 0.2 1 318 32 32 GLN NE2 N 111.019 0.2 1 319 33 33 ALA H H 8.892 0.001 1 320 33 33 ALA HA H 4.639 0.001 1 321 33 33 ALA HB H 1.373 0.001 1 322 33 33 ALA C C 175.18 0.2 1 323 33 33 ALA CA C 48.877 0.2 1 324 33 33 ALA CB C 21.698 0.2 1 325 33 33 ALA N N 120.882 0.2 1 326 34 34 ALA H H 8.43 0.001 1 327 34 34 ALA HA H 4.613 0.001 1 328 34 34 ALA HB H 1.411 0.001 1 329 34 34 ALA C C 176.256 0.2 1 330 34 34 ALA CA C 49.26 0.2 1 331 34 34 ALA CB C 19.119 0.2 1 332 34 34 ALA N N 120.576 0.2 1 333 35 35 ASN H H 7.34 0.001 1 334 35 35 ASN HA H 4.591 0.001 1 335 35 35 ASN HB2 H 2.917 0.001 2 336 35 35 ASN HB3 H 2.99 0.001 2 337 35 35 ASN HD21 H 6.961 0.001 2 338 35 35 ASN HD22 H 7.715 0.001 2 339 35 35 ASN C C 175.489 0.2 1 340 35 35 ASN CA C 49.902 0.2 1 341 35 35 ASN CB C 38.434 0.2 1 342 35 35 ASN N N 109.504 0.2 1 343 35 35 ASN ND2 N 115.34 0.2 1 344 36 36 GLY H H 9.166 0.001 1 345 36 36 GLY HA2 H 3.535 0.001 2 346 36 36 GLY HA3 H 3.743 0.001 2 347 36 36 GLY C C 174.415 0.2 1 348 36 36 GLY CA C 46.353 0.2 1 349 36 36 GLY N N 107.501 0.2 1 350 37 37 LEU H H 8.003 0.001 1 351 37 37 LEU HA H 4.025 0.001 1 352 37 37 LEU HB2 H 1.548 0.001 2 353 37 37 LEU HB3 H 1.727 0.001 2 354 37 37 LEU HD1 H 0.814 0.001 1 355 37 37 LEU C C 180.866 0.2 1 356 37 37 LEU CA C 56.236 0.2 1 357 37 37 LEU CB C 39.042 0.2 1 358 37 37 LEU CG C 25.139 0.2 1 359 37 37 LEU CD1 C 22.735 0.2 2 360 37 37 LEU CD2 C 20.849 0.2 2 361 37 37 LEU N N 122.474 0.2 1 362 38 38 GLN H H 8.446 0.001 1 363 38 38 GLN HA H 4.128 0.001 1 364 38 38 GLN HB2 H 2.072 0.001 2 365 38 38 GLN HG2 H 2.699 0.001 2 366 38 38 GLN HG3 H 2.408 0.001 2 367 38 38 GLN HE21 H 6.924 0.001 2 368 38 38 GLN HE22 H 7.575 0.001 2 369 38 38 GLN C C 179.18 0.2 1 370 38 38 GLN CA C 56.25 0.2 1 371 38 38 GLN CB C 27.345 0.2 1 372 38 38 GLN CG C 31.412 0.2 1 373 38 38 GLN N N 119.583 0.2 1 374 38 38 GLN NE2 N 111.724 0.2 1 375 39 39 ALA H H 7.836 0.001 1 376 39 39 ALA HA H 3.704 0.001 1 377 39 39 ALA HB H 1.325 0.001 1 378 39 39 ALA C C 178.944 0.2 1 379 39 39 ALA CA C 53.251 0.2 1 380 39 39 ALA CB C 17.265 0.2 1 381 39 39 ALA N N 119.662 0.2 1 382 40 40 LEU H H 8.045 0.001 1 383 40 40 LEU HA H 3.751 0.001 1 384 40 40 LEU HB2 H 1.383 0.001 2 385 40 40 LEU HG H 1.897 0.001 1 386 40 40 LEU HD1 H 0.814 0.001 1 387 40 40 LEU HD2 H 0.723 0.001 1 388 40 40 LEU C C 179.786 0.2 1 389 40 40 LEU CA C 55.8 0.2 1 390 40 40 LEU CB C 38.966 0.2 1 391 40 40 LEU CD1 C 21.022 0.2 2 392 40 40 LEU CD2 C 23.917 0.2 2 393 40 40 LEU N N 116.863 0.2 1 394 41 41 ASP H H 7.724 0.001 1 395 41 41 ASP HA H 4.366 0.001 1 396 41 41 ASP HB2 H 2.742 0.001 2 397 41 41 ASP C C 178.746 0.2 1 398 41 41 ASP CA C 55.708 0.2 1 399 41 41 ASP CB C 39.078 0.2 1 400 41 41 ASP N N 121.946 0.2 1 401 42 42 ILE H H 7.884 0.001 1 402 42 42 ILE HA H 3.577 0.001 1 403 42 42 ILE HB H 1.74 0.001 1 404 42 42 ILE HG12 H 1.157 0.001 2 405 42 42 ILE HG13 H 1.409 0.001 2 406 42 42 ILE HG2 H 0.438 0.001 1 407 42 42 ILE HD1 H 0.83 0.001 1 408 42 42 ILE C C 178.931 0.2 1 409 42 42 ILE CA C 62.883 0.2 1 410 42 42 ILE CB C 35.4 0.2 1 411 42 42 ILE CG1 C 26.61 0.2 1 412 42 42 ILE CG2 C 15.963 0.2 1 413 42 42 ILE CD1 C 12.099 0.2 1 414 42 42 ILE N N 119.605 0.2 1 415 43 43 VAL H H 8.559 0.001 1 416 43 43 VAL HA H 3.253 0.001 1 417 43 43 VAL HB H 2.031 0.001 1 418 43 43 VAL HG1 H 0.874 0.001 1 419 43 43 VAL C C 178.118 0.2 1 420 43 43 VAL CA C 65.229 0.2 1 421 43 43 VAL CB C 29.158 0.2 1 422 43 43 VAL CG1 C 22.083 0.2 2 423 43 43 VAL CG2 C 19.518 0.2 2 424 43 43 VAL N N 121.379 0.2 1 425 44 44 THR H H 7.92 0.001 1 426 44 44 THR HA H 3.64 0.001 1 427 44 44 THR HB H 4.283 0.001 1 428 44 44 THR HG2 H 1.153 0.001 1 429 44 44 THR C C 176.106 0.2 1 430 44 44 THR CA C 64.642 0.2 1 431 44 44 THR CB C 67.061 0.2 1 432 44 44 THR CG2 C 18.889 0.2 1 433 44 44 THR N N 113.867 0.2 1 434 45 45 LYS H H 7.802 0.001 1 435 45 45 LYS HA H 4.043 0.001 1 436 45 45 LYS HB2 H 1.706 0.001 2 437 45 45 LYS HG2 H 1.416 0.001 2 438 45 45 LYS HG3 H 1.247 0.001 2 439 45 45 LYS HD2 H 1.565 0.001 2 440 45 45 LYS HE2 H 2.918 0.001 2 441 45 45 LYS C C 178.574 0.2 1 442 45 45 LYS CA C 56.963 0.2 1 443 45 45 LYS CB C 32.779 0.2 1 444 45 45 LYS CG C 23.286 0.2 1 445 45 45 LYS CD C 26.877 0.2 1 446 45 45 LYS CE C 40.164 0.2 1 447 45 45 LYS N N 118.767 0.2 1 448 46 46 GLU H H 8.719 0.001 1 449 46 46 GLU HA H 4.325 0.001 1 450 46 46 GLU HB2 H 1.338 0.001 2 451 46 46 GLU HG2 H 2.24 0.001 2 452 46 46 GLU HG3 H 1.753 0.001 2 453 46 46 GLU C C 176.907 0.2 1 454 46 46 GLU CA C 53.123 0.2 1 455 46 46 GLU CB C 27.896 0.2 1 456 46 46 GLU CG C 32.086 0.2 1 457 46 46 GLU N N 114.428 0.2 1 458 47 47 ARG H H 7.602 0.001 1 459 47 47 ARG C C 174.193 0.2 1 460 47 47 ARG CA C 53.216 0.2 1 461 47 47 ARG CB C 25.361 0.2 1 462 47 47 ARG N N 112.829 0.2 1 463 48 48 PRO HA H 4.139 0.001 1 464 48 48 PRO HB2 H 1.778 0.001 2 465 48 48 PRO HB3 H 1.597 0.001 2 466 48 48 PRO HG2 H 1.453 0.001 2 467 48 48 PRO HD2 H 3.642 0.001 2 468 48 48 PRO HD3 H 3.376 0.001 2 469 48 48 PRO C C 174.485 0.2 1 470 48 48 PRO CA C 60.448 0.2 1 471 48 48 PRO CB C 29.184 0.2 1 472 48 48 PRO CG C 25.223 0.2 1 473 48 48 PRO CD C 48.845 0.2 1 474 49 49 ASP H H 8.193 0.001 1 475 49 49 ASP HA H 4.44 0.001 1 476 49 49 ASP HB2 H 2.636 0.001 2 477 49 49 ASP HB3 H 2.694 0.001 2 478 49 49 ASP C C 176.103 0.2 1 479 49 49 ASP CA C 54.57 0.2 1 480 49 49 ASP CB C 42.086 0.2 1 481 49 49 ASP N N 119.207 0.2 1 482 50 50 LEU H H 7.646 0.001 1 483 50 50 LEU HA H 5.069 0.001 1 484 50 50 LEU HB2 H 1.279 0.001 2 485 50 50 LEU HD1 H 0.614 0.001 1 486 50 50 LEU HD2 H 0.476 0.001 1 487 50 50 LEU C C 173.939 0.2 1 488 50 50 LEU CA C 51.876 0.2 1 489 50 50 LEU CB C 45.149 0.2 1 490 50 50 LEU CD1 C 22.678 0.2 2 491 50 50 LEU CD2 C 25.157 0.2 2 492 50 50 LEU N N 118.085 0.2 1 493 51 51 VAL H H 8.845 0.001 1 494 51 51 VAL HA H 5.015 0.001 1 495 51 51 VAL HB H 1.886 0.001 1 496 51 51 VAL HG1 H 0.811 0.001 1 497 51 51 VAL HG2 H 0.718 0.001 1 498 51 51 VAL C C 174.269 0.2 1 499 51 51 VAL CA C 57.713 0.2 1 500 51 51 VAL CB C 33.657 0.2 1 501 51 51 VAL CG1 C 19.51 0.2 2 502 51 51 VAL N N 125.628 0.2 1 503 52 52 LEU H H 8.956 0.001 1 504 52 52 LEU HA H 5.122 0.001 1 505 52 52 LEU HB2 H 1.522 0.001 2 506 52 52 LEU HG H 1.366 0.001 1 507 52 52 LEU HD1 H 0.662 0.001 1 508 52 52 LEU C C 174.683 0.2 1 509 52 52 LEU CA C 51.714 0.2 1 510 52 52 LEU CB C 40.699 0.2 1 511 52 52 LEU CG C 26.349 0.2 1 512 52 52 LEU CD1 C 23.342 0.2 2 513 52 52 LEU N N 128.875 0.2 1 514 53 53 LEU H H 8.768 0.001 1 515 53 53 LEU HA H 4.75 0.001 1 516 53 53 LEU HB2 H 1.754 0.001 2 517 53 53 LEU HB3 H 2.134 0.001 2 518 53 53 LEU HG H 1.369 0.001 1 519 53 53 LEU HD2 H 0.713 0.001 1 520 53 53 LEU C C 174.364 0.2 1 521 53 53 LEU CA C 51.69 0.2 1 522 53 53 LEU CB C 45.121 0.2 1 523 53 53 LEU CD1 C 21.452 0.2 2 524 53 53 LEU CD2 C 24.566 0.2 2 525 53 53 LEU N N 126.154 0.2 1 526 54 54 ASP H H 8.305 0.001 1 527 54 54 ASP HA H 4.914 0.001 1 528 54 54 ASP HB2 H 3.056 0.001 2 529 54 54 ASP HB3 H 2.74 0.001 2 530 54 54 ASP C C 176.382 0.2 1 531 54 54 ASP CA C 52.716 0.2 1 532 54 54 ASP CB C 41.468 0.2 1 533 54 54 ASP N N 128.852 0.2 1 534 55 55 MET H H 8.126 0.001 1 535 55 55 MET HA H 4.558 0.001 1 536 55 55 MET HB2 H 2.334 0.001 2 537 55 55 MET HG2 H 2.463 0.001 2 538 55 55 MET HG3 H 2.697 0.001 2 539 55 55 MET C C 178.175 0.2 1 540 55 55 MET CA C 53.142 0.2 1 541 55 55 MET CB C 30.691 0.2 1 542 55 55 MET CG C 32.385 0.2 1 543 55 55 MET N N 121.06 0.2 1 544 56 56 LYS H H 8.698 0.001 1 545 56 56 LYS HA H 4.594 0.001 1 546 56 56 LYS HB2 H 1.764 0.001 2 547 56 56 LYS HB3 H 2.067 0.001 2 548 56 56 LYS HG2 H 1.54 0.001 2 549 56 56 LYS HG3 H 1.363 0.001 2 550 56 56 LYS HD2 H 1.662 0.001 2 551 56 56 LYS HE2 H 2.973 0.001 2 552 56 56 LYS C C 176.551 0.2 1 553 56 56 LYS CA C 51.929 0.2 1 554 56 56 LYS CB C 28.973 0.2 1 555 56 56 LYS CG C 22.187 0.2 1 556 56 56 LYS CD C 25.852 0.2 1 557 56 56 LYS CE C 39.546 0.2 1 558 56 56 LYS N N 120.926 0.2 1 559 57 57 ILE H H 7.351 0.001 1 560 57 57 ILE C C 174.583 0.2 1 561 57 57 ILE CA C 56.947 0.2 1 562 57 57 ILE CB C 37.24 0.2 1 563 57 57 ILE N N 124.363 0.2 1 564 58 58 PRO HA H 4.365 0.001 1 565 58 58 PRO HB2 H 2.304 0.001 2 566 58 58 PRO HB3 H 1.911 0.001 2 567 58 58 PRO HG2 H 2.146 0.001 2 568 58 58 PRO HG3 H 2.014 0.001 2 569 58 58 PRO HD2 H 3.994 0.001 2 570 58 58 PRO HD3 H 3.66 0.001 2 571 58 58 PRO C C 178.363 0.2 1 572 58 58 PRO CA C 61.632 0.2 1 573 58 58 PRO CB C 30.277 0.2 1 574 58 58 PRO CG C 25.781 0.2 1 575 58 58 PRO CD C 49.588 0.2 1 576 59 59 GLY H H 8.73 0.001 1 577 59 59 GLY HA2 H 4.247 0.001 2 578 59 59 GLY HA3 H 3.592 0.001 2 579 59 59 GLY C C 174.069 0.2 1 580 59 59 GLY CA C 43.745 0.2 1 581 59 59 GLY N N 111.853 0.2 1 582 60 60 MET H H 7.694 0.001 1 583 60 60 MET HA H 4.816 0.001 1 584 60 60 MET HG2 H 2.981 0.001 2 585 60 60 MET HG3 H 2.536 0.001 2 586 60 60 MET C C 174.221 0.2 1 587 60 60 MET CA C 53.519 0.2 1 588 60 60 MET CB C 33.625 0.2 1 589 60 60 MET CG C 30.215 0.2 1 590 60 60 MET N N 122.427 0.2 1 591 61 61 ASP H H 8.521 0.001 1 592 61 61 ASP HA H 4.637 0.001 1 593 61 61 ASP HB2 H 2.675 0.001 2 594 61 61 ASP HB3 H 2.816 0.001 2 595 61 61 ASP C C 177.395 0.2 1 596 61 61 ASP CA C 51.677 0.2 1 597 61 61 ASP CB C 39.635 0.2 1 598 61 61 ASP N N 125.282 0.2 1 599 62 62 GLY H H 8.874 0.001 1 600 62 62 GLY HA2 H 3.595 0.001 2 601 62 62 GLY HA3 H 4.081 0.001 2 602 62 62 GLY C C 175.375 0.2 1 603 62 62 GLY CA C 46.457 0.2 1 604 62 62 GLY N N 111.738 0.2 1 605 63 63 ILE H H 8.075 0.001 1 606 63 63 ILE HA H 3.692 0.001 1 607 63 63 ILE HB H 2.1 0.001 1 608 63 63 ILE HG12 H 1.481 0.001 2 609 63 63 ILE HG13 H 1.342 0.001 2 610 63 63 ILE HG2 H 0.798 0.001 1 611 63 63 ILE HD1 H 0.683 0.001 1 612 63 63 ILE C C 177.817 0.2 1 613 63 63 ILE CA C 60.635 0.2 1 614 63 63 ILE CB C 33.954 0.2 1 615 63 63 ILE CG1 C 25.391 0.2 1 616 63 63 ILE CG2 C 15.196 0.2 1 617 63 63 ILE CD1 C 9.426 0.2 1 618 63 63 ILE N N 120.65 0.2 1 619 64 64 GLU H H 7.403 0.001 1 620 64 64 GLU HA H 3.972 0.001 1 621 64 64 GLU HG2 H 2.267 0.001 2 622 64 64 GLU C C 179.573 0.2 1 623 64 64 GLU CA C 56.855 0.2 1 624 64 64 GLU CB C 27.085 0.2 1 625 64 64 GLU CG C 33.36 0.2 1 626 64 64 GLU N N 121.167 0.2 1 627 65 65 ILE H H 8.123 0.001 1 628 65 65 ILE HA H 3.571 0.001 1 629 65 65 ILE HB H 2.076 0.001 1 630 65 65 ILE HG12 H 1.56 0.001 2 631 65 65 ILE HG13 H 1.323 0.001 2 632 65 65 ILE HG2 H 0.831 0.001 1 633 65 65 ILE HD1 H 0.694 0.001 1 634 65 65 ILE C C 177.993 0.2 1 635 65 65 ILE CA C 61.983 0.2 1 636 65 65 ILE CB C 34.623 0.2 1 637 65 65 ILE CG1 C 25.853 0.2 1 638 65 65 ILE CG2 C 15.401 0.2 1 639 65 65 ILE CD1 C 9.997 0.2 1 640 65 65 ILE N N 118.98 0.2 1 641 66 66 LEU H H 8.164 0.001 1 642 66 66 LEU HA H 3.811 0.001 1 643 66 66 LEU HB2 H 1.856 0.001 2 644 66 66 LEU HG H 1.538 0.001 1 645 66 66 LEU HD1 H 0.767 0.001 1 646 66 66 LEU C C 178.937 0.2 1 647 66 66 LEU CA C 56.913 0.2 1 648 66 66 LEU CB C 40.151 0.2 1 649 66 66 LEU CD1 C 22.689 0.2 2 650 66 66 LEU CD2 C 23.939 0.2 2 651 66 66 LEU N N 122.19 0.2 1 652 67 67 LYS H H 8.208 0.001 1 653 67 67 LYS HA H 3.751 0.001 1 654 67 67 LYS HB2 H 1.762 0.001 2 655 67 67 LYS HG2 H 1.898 0.001 2 656 67 67 LYS HG3 H 1.348 0.001 2 657 67 67 LYS HD2 H 1.604 0.001 2 658 67 67 LYS HE2 H 2.844 0.001 2 659 67 67 LYS HE3 H 2.754 0.001 2 660 67 67 LYS C C 180.468 0.2 1 661 67 67 LYS CA C 58.207 0.2 1 662 67 67 LYS CB C 30.853 0.2 1 663 67 67 LYS CG C 23.932 0.2 1 664 67 67 LYS CD C 27.785 0.2 1 665 67 67 LYS CE C 39.872 0.2 1 666 67 67 LYS N N 117.645 0.2 1 667 68 68 ARG H H 8.243 0.001 1 668 68 68 ARG HA H 3.917 0.001 1 669 68 68 ARG HB2 H 1.887 0.001 2 670 68 68 ARG HG2 H 1.822 0.001 2 671 68 68 ARG HG3 H 1.663 0.001 2 672 68 68 ARG HD2 H 3.058 0.001 2 673 68 68 ARG C C 180.322 0.2 1 674 68 68 ARG CA C 56.936 0.2 1 675 68 68 ARG CB C 28.448 0.2 1 676 68 68 ARG CG C 25.791 0.2 1 677 68 68 ARG CD C 41.024 0.2 1 678 68 68 ARG N N 118.383 0.2 1 679 69 69 MET H H 8.836 0.001 1 680 69 69 MET HA H 3.743 0.001 1 681 69 69 MET HB2 H 1.821 0.001 2 682 69 69 MET HG2 H 3.039 0.001 2 683 69 69 MET HG3 H 2.011 0.001 2 684 69 69 MET C C 177.139 0.2 1 685 69 69 MET CA C 59.004 0.2 1 686 69 69 MET CB C 30.353 0.2 1 687 69 69 MET CG C 32.703 0.2 1 688 69 69 MET N N 120.663 0.2 1 689 70 70 LYS H H 7.525 0.001 1 690 70 70 LYS HA H 4.062 0.001 1 691 70 70 LYS HB2 H 1.833 0.001 2 692 70 70 LYS HB3 H 1.76 0.001 2 693 70 70 LYS HG2 H 1.551 0.001 2 694 70 70 LYS HG3 H 1.36 0.001 2 695 70 70 LYS HD2 H 1.67 0.001 2 696 70 70 LYS HE2 H 2.871 0.001 2 697 70 70 LYS HE3 H 3.024 0.001 2 698 70 70 LYS C C 178.534 0.2 1 699 70 70 LYS CA C 54.981 0.2 1 700 70 70 LYS CB C 30.293 0.2 1 701 70 70 LYS CG C 22.689 0.2 1 702 70 70 LYS CD C 27.165 0.2 1 703 70 70 LYS CE C 39.619 0.2 1 704 70 70 LYS N N 116.489 0.2 1 705 71 71 VAL H H 7.149 0.001 1 706 71 71 VAL HA H 3.669 0.001 1 707 71 71 VAL HB H 2.106 0.001 1 708 71 71 VAL HG1 H 0.995 0.001 1 709 71 71 VAL HG2 H 0.89 0.001 1 710 71 71 VAL C C 178.562 0.2 1 711 71 71 VAL CA C 63.122 0.2 1 712 71 71 VAL CB C 30.072 0.2 1 713 71 71 VAL CG1 C 20.484 0.2 2 714 71 71 VAL CG2 C 19.141 0.2 2 715 71 71 VAL N N 117.687 0.2 1 716 72 72 ILE H H 7.222 0.001 1 717 72 72 ILE HA H 3.561 0.001 1 718 72 72 ILE HB H 1.723 0.001 1 719 72 72 ILE HG12 H 1.329 0.001 2 720 72 72 ILE HG2 H 0.964 0.001 1 721 72 72 ILE HD1 H 0.79 0.001 1 722 72 72 ILE C C 176.959 0.2 1 723 72 72 ILE CA C 62.46 0.2 1 724 72 72 ILE CB C 36.551 0.2 1 725 72 72 ILE CG1 C 26.354 0.2 1 726 72 72 ILE CG2 C 15.456 0.2 1 727 72 72 ILE CD1 C 12.211 0.2 1 728 72 72 ILE N N 121.395 0.2 1 729 73 73 ASP H H 8.029 0.001 1 730 73 73 ASP HA H 4.556 0.001 1 731 73 73 ASP HB2 H 2.239 0.001 2 732 73 73 ASP HB3 H 2.612 0.001 2 733 73 73 ASP C C 175.794 0.2 1 734 73 73 ASP CA C 50.997 0.2 1 735 73 73 ASP CB C 40.088 0.2 1 736 73 73 ASP N N 117.105 0.2 1 737 74 74 GLU H H 8.703 0.001 1 738 74 74 GLU HA H 4.344 0.001 1 739 74 74 GLU HB2 H 2.051 0.001 2 740 74 74 GLU HG2 H 2.156 0.001 2 741 74 74 GLU HG3 H 2.289 0.001 2 742 74 74 GLU C C 177.589 0.2 1 743 74 74 GLU CA C 56.235 0.2 1 744 74 74 GLU CB C 27.415 0.2 1 745 74 74 GLU CG C 33.243 0.2 1 746 74 74 GLU N N 125.167 0.2 1 747 75 75 ASN H H 8.349 0.001 1 748 75 75 ASN HA H 4.767 0.001 1 749 75 75 ASN HB2 H 2.726 0.001 2 750 75 75 ASN HB3 H 2.895 0.001 2 751 75 75 ASN HD21 H 7.031 0.001 2 752 75 75 ASN HD22 H 7.872 0.001 2 753 75 75 ASN C C 175.869 0.2 1 754 75 75 ASN CA C 50.949 0.2 1 755 75 75 ASN CB C 37.612 0.2 1 756 75 75 ASN N N 116.551 0.2 1 757 75 75 ASN ND2 N 115.717 0.2 1 758 76 76 ILE H H 7.417 0.001 1 759 76 76 ILE HA H 3.888 0.001 1 760 76 76 ILE HB H 1.811 0.001 1 761 76 76 ILE HG12 H 1.425 0.001 2 762 76 76 ILE HG13 H 0.984 0.001 2 763 76 76 ILE HG2 H 0.676 0.001 1 764 76 76 ILE HD1 H 0.775 0.001 1 765 76 76 ILE C C 174.586 0.2 1 766 76 76 ILE CA C 60.467 0.2 1 767 76 76 ILE CB C 37.257 0.2 1 768 76 76 ILE CG1 C 26.58 0.2 1 769 76 76 ILE CG2 C 14.013 0.2 1 770 76 76 ILE N N 123.625 0.2 1 771 77 77 ARG H H 7.525 0.001 1 772 77 77 ARG HA H 4.502 0.001 1 773 77 77 ARG HB2 H 1.451 0.001 2 774 77 77 ARG HB3 H 2.058 0.001 2 775 77 77 ARG HG2 H 1.717 0.001 2 776 77 77 ARG HG3 H 1.902 0.001 2 777 77 77 ARG HD2 H 3.216 0.001 2 778 77 77 ARG HD3 H 3.088 0.001 2 779 77 77 ARG C C 175.38 0.2 1 780 77 77 ARG CA C 52.998 0.2 1 781 77 77 ARG CB C 29.968 0.2 1 782 77 77 ARG CG C 25.239 0.2 1 783 77 77 ARG CD C 41.871 0.2 1 784 77 77 ARG N N 127.133 0.2 1 785 78 78 VAL H H 8.659 0.001 1 786 78 78 VAL HA H 4.917 0.001 1 787 78 78 VAL HB H 1.638 0.001 1 788 78 78 VAL HG1 H 0.696 0.001 1 789 78 78 VAL C C 174.951 0.2 1 790 78 78 VAL CA C 58.533 0.2 1 791 78 78 VAL CB C 33.657 0.2 1 792 78 78 VAL CG1 C 19.359 0.2 2 793 78 78 VAL N N 122.62 0.2 1 794 79 79 ILE H H 9.126 0.001 1 795 79 79 ILE HA H 4.259 0.001 1 796 79 79 ILE HB H 1.499 0.001 1 797 79 79 ILE HG2 H 0.527 0.001 1 798 79 79 ILE HD1 H 0.605 0.001 1 799 79 79 ILE C C 175.549 0.2 1 800 79 79 ILE CA C 59.017 0.2 1 801 79 79 ILE CB C 38.755 0.2 1 802 79 79 ILE N N 128.023 0.2 1 803 80 80 ILE H H 7.734 0.001 1 804 80 80 ILE HA H 5.121 0.001 1 805 80 80 ILE HB H 1.937 0.001 1 806 80 80 ILE HG12 H 1.42 0.001 2 807 80 80 ILE HG13 H 1.742 0.001 2 808 80 80 ILE HG2 H 0.891 0.001 1 809 80 80 ILE HD1 H 0.762 0.001 1 810 80 80 ILE C C 175.011 0.2 1 811 80 80 ILE CA C 57.243 0.2 1 812 80 80 ILE CB C 38.029 0.2 1 813 80 80 ILE CG1 C 24.286 0.2 1 814 80 80 ILE CG2 C 17.02 0.2 1 815 80 80 ILE CD1 C 12.135 0.2 1 816 80 80 ILE N N 120.372 0.2 1 817 81 81 MET H H 8.667 0.001 1 818 81 81 MET HA H 5.744 0.001 1 819 81 81 MET HB2 H 1.868 0.001 2 820 81 81 MET HG2 H 2.344 0.001 2 821 81 81 MET HG3 H 2.176 0.001 2 822 81 81 MET C C 175.626 0.2 1 823 81 81 MET CA C 51.826 0.2 1 824 81 81 MET CB C 33.686 0.2 1 825 81 81 MET CG C 29.634 0.2 1 826 81 81 MET N N 121.642 0.2 1 827 82 82 THR H H 8.613 0.001 1 828 82 82 THR HA H 4.778 0.001 1 829 82 82 THR HB H 4.268 0.001 1 830 82 82 THR HG2 H 0.96 0.001 1 831 82 82 THR C C 173.345 0.2 1 832 82 82 THR CA C 57.34 0.2 1 833 82 82 THR CB C 68.401 0.2 1 834 82 82 THR CG2 C 18.326 0.2 1 835 82 82 THR N N 115.421 0.2 1 836 83 83 ALA H H 8.579 0.001 1 837 83 83 ALA HA H 4.657 0.001 1 838 83 83 ALA HB H 1.412 0.001 1 839 83 83 ALA C C 178.153 0.2 1 840 83 83 ALA CA C 49.698 0.2 1 841 83 83 ALA CB C 18.389 0.2 1 842 83 83 ALA N N 124.577 0.2 1 843 84 84 TYR H H 8.598 0.001 1 844 84 84 TYR HA H 4.192 0.001 1 845 84 84 TYR HB2 H 3.101 0.001 2 846 84 84 TYR HB3 H 2.919 0.001 2 847 84 84 TYR C C 177.447 0.2 1 848 84 84 TYR CA C 57.841 0.2 1 849 84 84 TYR CB C 35.976 0.2 1 850 84 84 TYR N N 121.627 0.2 1 851 85 85 GLY H H 8.484 0.001 1 852 85 85 GLY HA2 H 3.925 0.001 2 853 85 85 GLY HA3 H 3.505 0.001 2 854 85 85 GLY C C 174.931 0.2 1 855 85 85 GLY CA C 43.134 0.2 1 856 85 85 GLY N N 112.724 0.2 1 857 86 86 GLU H H 7.711 0.001 1 858 86 86 GLU HA H 4.426 0.001 1 859 86 86 GLU HG2 H 2.181 0.001 2 860 86 86 GLU HG3 H 1.936 0.001 2 861 86 86 GLU C C 176.98 0.2 1 862 86 86 GLU CA C 53.931 0.2 1 863 86 86 GLU CB C 27.184 0.2 1 864 86 86 GLU CG C 34.288 0.2 1 865 86 86 GLU N N 121.182 0.2 1 866 87 87 LEU H H 8.181 0.001 1 867 87 87 LEU HA H 4.118 0.001 1 868 87 87 LEU HB2 H 1.554 0.001 2 869 87 87 LEU HD1 H 0.87 0.001 1 870 87 87 LEU HD2 H 0.803 0.001 1 871 87 87 LEU C C 178.906 0.2 1 872 87 87 LEU CA C 54.551 0.2 1 873 87 87 LEU CB C 40.004 0.2 1 874 87 87 LEU CG C 24.679 0.2 1 875 87 87 LEU CD1 C 22.669 0.2 2 876 87 87 LEU CD2 C 20.803 0.2 2 877 87 87 LEU N N 122.228 0.2 1 878 88 88 ASP H H 8.43 0.001 1 879 88 88 ASP HA H 4.376 0.001 1 880 88 88 ASP HB2 H 2.664 0.001 2 881 88 88 ASP HB3 H 2.705 0.001 2 882 88 88 ASP C C 178.001 0.2 1 883 88 88 ASP CA C 54.453 0.2 1 884 88 88 ASP CB C 38.408 0.2 1 885 88 88 ASP N N 119.897 0.2 1 886 89 89 MET H H 8.267 0.001 1 887 89 89 MET CA C 55.121 0.2 1 888 89 89 MET CB C 29.242 0.2 1 889 89 89 MET N N 118.359 0.2 1 890 90 90 ILE HA H 3.519 0.001 1 891 90 90 ILE HB H 1.879 0.001 1 892 90 90 ILE HG12 H 1.572 0.001 2 893 90 90 ILE HD1 H 0.767 0.001 1 894 90 90 ILE C C 178.293 0.2 1 895 90 90 ILE CA C 63.121 0.2 1 896 90 90 ILE CB C 35.281 0.2 1 897 90 90 ILE CG1 C 27.104 0.2 1 898 90 90 ILE CG2 C 10.82 0.2 1 899 90 90 ILE CD1 C 14.703 0.2 1 900 91 91 GLN H H 8.393 0.001 1 901 91 91 GLN HA H 3.965 0.001 1 902 91 91 GLN HB2 H 2.081 0.001 2 903 91 91 GLN HB3 H 2.114 0.001 2 904 91 91 GLN HG2 H 2.369 0.001 2 905 91 91 GLN C C 178.797 0.2 1 906 91 91 GLN CA C 57.108 0.2 1 907 91 91 GLN CB C 26.155 0.2 1 908 91 91 GLN CG C 31.457 0.2 1 909 91 91 GLN N N 121.253 0.2 1 910 92 92 GLU H H 8.665 0.001 1 911 92 92 GLU HA H 3.996 0.001 1 912 92 92 GLU HB2 H 1.925 0.001 2 913 92 92 GLU HG2 H 2.262 0.001 2 914 92 92 GLU C C 179.329 0.2 1 915 92 92 GLU CA C 57.238 0.2 1 916 92 92 GLU CB C 27.587 0.2 1 917 92 92 GLU CG C 34.337 0.2 1 918 92 92 GLU N N 120.064 0.2 1 919 93 93 SER H H 7.955 0.001 1 920 93 93 SER HA H 4.286 0.001 1 921 93 93 SER HB2 H 3.657 0.001 2 922 93 93 SER C C 176.851 0.2 1 923 93 93 SER CA C 60.076 0.2 1 924 93 93 SER N N 114.293 0.2 1 925 94 94 LYS H H 8.068 0.001 1 926 94 94 LYS HA H 4.187 0.001 1 927 94 94 LYS HB2 H 1.903 0.001 2 928 94 94 LYS HG2 H 1.279 0.001 2 929 94 94 LYS HG3 H 1.526 0.001 2 930 94 94 LYS HD2 H 1.599 0.001 2 931 94 94 LYS HE2 H 2.876 0.001 2 932 94 94 LYS C C 171.14 0.2 1 933 94 94 LYS CA C 57.341 0.2 1 934 94 94 LYS CB C 29.948 0.2 1 935 94 94 LYS CG C 22.685 0.2 1 936 94 94 LYS CD C 26.939 0.2 1 937 94 94 LYS CE C 39.701 0.2 1 938 94 94 LYS N N 124.761 0.2 1 939 95 95 GLU H H 8.044 0.001 1 940 95 95 GLU HA H 4.055 0.001 1 941 95 95 GLU HB2 H 2.101 0.001 2 942 95 95 GLU HG2 H 2.283 0.001 2 943 95 95 GLU HG3 H 2.384 0.001 2 944 95 95 GLU C C 178.666 0.2 1 945 95 95 GLU CA C 56.728 0.2 1 946 95 95 GLU CB C 27.206 0.2 1 947 95 95 GLU CG C 34.17 0.2 1 948 95 95 GLU N N 121.357 0.2 1 949 96 96 LEU H H 7.362 0.001 1 950 96 96 LEU HA H 4.257 0.001 1 951 96 96 LEU HB2 H 1.766 0.001 2 952 96 96 LEU HB3 H 1.557 0.001 2 953 96 96 LEU HD1 H 0.824 0.001 1 954 96 96 LEU C C 177.031 0.2 1 955 96 96 LEU CA C 52.906 0.2 1 956 96 96 LEU CB C 40.901 0.2 1 957 96 96 LEU CD1 C 24.564 0.2 2 958 96 96 LEU CD2 C 20.86 0.2 2 959 96 96 LEU N N 117.829 0.2 1 960 97 97 GLY H H 7.601 0.001 1 961 97 97 GLY HA2 H 4.284 0.001 2 962 97 97 GLY HA3 H 3.675 0.001 2 963 97 97 GLY C C 175.938 0.2 1 964 97 97 GLY CA C 42.434 0.2 1 965 97 97 GLY N N 104.669 0.2 1 966 98 98 ALA H H 8.222 0.001 1 967 98 98 ALA HA H 4.3 0.001 1 968 98 98 ALA HB H 1.053 0.001 1 969 98 98 ALA C C 177.769 0.2 1 970 98 98 ALA CA C 50.478 0.2 1 971 98 98 ALA CB C 16.865 0.2 1 972 98 98 ALA N N 124.023 0.2 1 973 99 99 LEU H H 8.918 0.001 1 974 99 99 LEU HA H 3.882 0.001 1 975 99 99 LEU HB2 H 0.873 0.001 2 976 99 99 LEU HB3 H 1.14 0.001 2 977 99 99 LEU HG H 1.492 0.001 1 978 99 99 LEU HD1 H 0.39 0.001 1 979 99 99 LEU HD2 H 0.573 0.001 1 980 99 99 LEU C C 177.908 0.2 1 981 99 99 LEU CA C 55.327 0.2 1 982 99 99 LEU CB C 41.35 0.2 1 983 99 99 LEU CG C 24.517 0.2 1 984 99 99 LEU CD1 C 22.434 0.2 2 985 99 99 LEU CD2 C 20.398 0.2 2 986 99 99 LEU N N 122.445 0.2 1 987 100 100 THR H H 7.157 0.001 1 988 100 100 THR HA H 4.123 0.001 1 989 100 100 THR HG2 H 0.821 0.001 1 990 100 100 THR C C 176.067 0.2 1 991 100 100 THR CA C 57.579 0.2 1 992 100 100 THR CB C 65.222 0.2 1 993 100 100 THR CG2 C 17.123 0.2 1 994 100 100 THR N N 106.075 0.2 1 995 101 101 ALA H H 7.957 0.001 1 996 101 101 ALA HA H 4.083 0.001 1 997 101 101 ALA HB H 1.22 0.001 1 998 101 101 ALA C C 175.512 0.2 1 999 101 101 ALA CA C 48.218 0.2 1 1000 101 101 ALA CB C 22.191 0.2 1 1001 101 101 ALA N N 123.385 0.2 1 1002 102 102 PHE H H 7.563 0.001 1 1003 102 102 PHE HA H 4.269 0.001 1 1004 102 102 PHE HB2 H 2.19 0.001 2 1005 102 102 PHE HB3 H 2.419 0.001 2 1006 102 102 PHE C C 174.642 0.2 1 1007 102 102 PHE CA C 54.124 0.2 1 1008 102 102 PHE CB C 40.694 0.2 1 1009 103 103 ALA H H 8.534 0.001 1 1010 103 103 ALA HA H 4.825 0.001 1 1011 103 103 ALA HB H 1.153 0.001 1 1012 103 103 ALA C C 177.358 0.2 1 1013 103 103 ALA CA C 48.551 0.2 1 1014 103 103 ALA CB C 18.045 0.2 1 1015 103 103 ALA N N 125.395 0.2 1 1016 104 104 LYS H H 8.314 0.001 1 1017 104 104 LYS C C 174.637 0.2 1 1018 104 104 LYS CA C 52.2 0.2 1 1019 104 104 LYS CB C 32.123 0.2 1 1020 104 104 LYS N N 120.344 0.2 1 1021 105 105 PRO HA H 4.279 0.001 1 1022 105 105 PRO HB2 H 2.19 0.001 2 1023 105 105 PRO HG2 H 1.958 0.001 2 1024 105 105 PRO HG3 H 1.856 0.001 2 1025 105 105 PRO HD2 H 3.615 0.001 2 1026 105 105 PRO HD3 H 3.442 0.001 2 1027 105 105 PRO C C 176.012 0.2 1 1028 105 105 PRO CA C 60.057 0.2 1 1029 105 105 PRO CB C 32.162 0.2 1 1030 105 105 PRO CG C 22.717 0.2 1 1031 105 105 PRO CD C 47.88 0.2 1 1032 106 106 PHE H H 7.595 0.001 1 1033 106 106 PHE HA H 5.105 0.001 1 1034 106 106 PHE HB2 H 3.155 0.001 2 1035 106 106 PHE HD1 H 6.926 0.001 3 1036 106 106 PHE C C 175.668 0.2 1 1037 106 106 PHE CA C 52.102 0.2 1 1038 106 106 PHE CB C 40 0.2 1 1039 106 106 PHE N N 119.378 0.2 1 1040 107 107 ASP H H 9.27 0.001 1 1041 107 107 ASP HA H 4.854 0.001 1 1042 107 107 ASP HB2 H 2.623 0.001 2 1043 107 107 ASP HB3 H 2.918 0.001 2 1044 107 107 ASP C C 177.482 0.2 1 1045 107 107 ASP CA C 51.021 0.2 1 1046 107 107 ASP CB C 40.442 0.2 1 1047 107 107 ASP N N 122.927 0.2 1 1048 108 108 ILE H H 8.805 0.001 1 1049 108 108 ILE HA H 3.765 0.001 1 1050 108 108 ILE HB H 1.9 0.001 1 1051 108 108 ILE HG12 H 1.362 0.001 2 1052 108 108 ILE HG13 H 1.284 0.001 2 1053 108 108 ILE HG2 H 0.858 0.001 1 1054 108 108 ILE HD1 H 0.768 0.001 1 1055 108 108 ILE C C 176.614 0.2 1 1056 108 108 ILE CA C 60.543 0.2 1 1057 108 108 ILE CB C 35.784 0.2 1 1058 108 108 ILE CG1 C 26.492 0.2 1 1059 108 108 ILE CG2 C 15.901 0.2 1 1060 108 108 ILE CD1 C 10.817 0.2 1 1061 108 108 ILE N N 127.147 0.2 1 1062 109 109 ASP H H 8.04 0.001 1 1063 109 109 ASP HA H 4.263 0.001 1 1064 109 109 ASP HB2 H 2.72 0.001 2 1065 109 109 ASP HB3 H 2.597 0.001 2 1066 109 109 ASP C C 178.684 0.2 1 1067 109 109 ASP CA C 55.572 0.2 1 1068 109 109 ASP CB C 38.196 0.2 1 1069 109 109 ASP N N 121.316 0.2 1 1070 110 110 GLU H H 7.723 0.001 1 1071 110 110 GLU HA H 4.055 0.001 1 1072 110 110 GLU HG2 H 2.258 0.001 2 1073 110 110 GLU HG3 H 2.438 0.001 2 1074 110 110 GLU C C 180.357 0.2 1 1075 110 110 GLU CA C 57.061 0.2 1 1076 110 110 GLU CB C 27.998 0.2 1 1077 110 110 GLU CG C 34.588 0.2 1 1078 110 110 GLU N N 120.883 0.2 1 1079 111 111 ILE H H 7.541 0.001 1 1080 111 111 ILE HA H 3.29 0.001 1 1081 111 111 ILE HB H 1.215 0.001 1 1082 111 111 ILE HG12 H 0.312 0.001 2 1083 111 111 ILE HG13 H 0.514 0.001 2 1084 111 111 ILE HD1 H -0.358 0.001 1 1085 111 111 ILE C C 177.523 0.2 1 1086 111 111 ILE CA C 61.572 0.2 1 1087 111 111 ILE CB C 34.79 0.2 1 1088 111 111 ILE CG1 C 25.853 0.2 1 1089 111 111 ILE CG2 C 14.892 0.2 1 1090 111 111 ILE CD1 C 9.005 0.2 1 1091 111 111 ILE N N 120.102 0.2 1 1092 112 112 ARG H H 8.251 0.001 1 1093 112 112 ARG HA H 3.85 0.001 1 1094 112 112 ARG HB2 H 2.014 0.001 2 1095 112 112 ARG HB3 H 1.464 0.001 2 1096 112 112 ARG HG2 H 1.645 0.001 2 1097 112 112 ARG HG3 H 1.335 0.001 2 1098 112 112 ARG HD2 H 3.191 0.001 2 1099 112 112 ARG HD3 H 3.068 0.001 2 1100 112 112 ARG C C 178.406 0.2 1 1101 112 112 ARG CA C 57.966 0.2 1 1102 112 112 ARG CB C 28.189 0.2 1 1103 112 112 ARG CG C 24.533 0.2 1 1104 112 112 ARG CD C 41.022 0.2 1 1105 112 112 ARG N N 121.934 0.2 1 1106 113 113 ASP H H 8.039 0.001 1 1107 113 113 ASP HA H 4.31 0.001 1 1108 113 113 ASP HB2 H 2.719 0.001 2 1109 113 113 ASP HB3 H 2.563 0.001 2 1110 113 113 ASP C C 179.065 0.2 1 1111 113 113 ASP CA C 55.207 0.2 1 1112 113 113 ASP CB C 38.391 0.2 1 1113 113 113 ASP N N 118.113 0.2 1 1114 114 114 ALA H H 7.967 0.001 1 1115 114 114 ALA HA H 4.115 0.001 1 1116 114 114 ALA HB H 1.669 0.001 1 1117 114 114 ALA C C 179.824 0.2 1 1118 114 114 ALA CA C 53.018 0.2 1 1119 114 114 ALA CB C 16.761 0.2 1 1120 114 114 ALA N N 122.943 0.2 1 1121 115 115 VAL H H 8.231 0.001 1 1122 115 115 VAL HA H 3.309 0.001 1 1123 115 115 VAL HB H 2.035 0.001 1 1124 115 115 VAL HG1 H 0.727 0.001 1 1125 115 115 VAL HG2 H 0.225 0.001 1 1126 115 115 VAL C C 178.976 0.2 1 1127 115 115 VAL CA C 65.775 0.2 1 1128 115 115 VAL CB C 29.156 0.2 1 1129 115 115 VAL CG1 C 21.599 0.2 2 1130 115 115 VAL CG2 C 18.466 0.2 2 1131 115 115 VAL N N 118.264 0.2 1 1132 116 116 LYS H H 7.854 0.001 1 1133 116 116 LYS HA H 3.963 0.001 1 1134 116 116 LYS HB2 H 1.69 0.001 2 1135 116 116 LYS HB3 H 1.874 0.001 2 1136 116 116 LYS HE2 H 3.008 0.001 2 1137 116 116 LYS HE3 H 2.952 0.001 2 1138 116 116 LYS C C 176.093 0.2 1 1139 116 116 LYS CA C 57.243 0.2 1 1140 116 116 LYS CB C 30.026 0.2 1 1141 116 116 LYS CG C 23.391 0.2 1 1142 116 116 LYS CD C 27.626 0.2 1 1143 116 116 LYS CE C 39.625 0.2 1 1144 116 116 LYS N N 116.835 0.2 1 1145 117 117 LYS H H 7.356 0.001 1 1146 117 117 LYS HA H 3.925 0.001 1 1147 117 117 LYS HB2 H 1.614 0.001 2 1148 117 117 LYS HG2 H 1.222 0.001 2 1149 117 117 LYS HG3 H 0.845 0.001 2 1150 117 117 LYS HD2 H 1.379 0.001 2 1151 117 117 LYS HE2 H 2.716 0.001 2 1152 117 117 LYS C C 178.957 0.2 1 1153 117 117 LYS CA C 56.31 0.2 1 1154 117 117 LYS CB C 30.126 0.2 1 1155 117 117 LYS CG C 22.624 0.2 1 1156 117 117 LYS CD C 27.125 0.2 1 1157 117 117 LYS CE C 39.705 0.2 1 1158 117 117 LYS N N 117.709 0.2 1 1159 118 118 TYR H H 7.847 0.001 1 1160 118 118 TYR HA H 4.38 0.001 1 1161 118 118 TYR HB2 H 2.408 0.001 2 1162 118 118 TYR HB3 H 2.536 0.001 2 1163 118 118 TYR C C 178.654 0.2 1 1164 118 118 TYR CA C 55.206 0.2 1 1165 118 118 TYR CB C 30.086 0.2 1 1166 118 118 TYR N N 116.765 0.2 1 1167 119 119 LEU H H 8.045 0.001 1 1168 119 119 LEU CA C 62.864 0.2 1 1169 119 119 LEU CB C 35.187 0.2 1 1170 119 119 LEU N N 122.09 0.2 1 1171 120 120 PRO HA H 4.472 0.001 1 1172 120 120 PRO HB2 H 2.26 0.001 2 1173 120 120 PRO HB3 H 1.802 0.001 2 1174 120 120 PRO HG2 H 1.974 0.001 2 1175 120 120 PRO HD2 H 3.358 0.001 2 1176 120 120 PRO HD3 H 3.489 0.001 2 1177 120 120 PRO C C 177.787 0.2 1 1178 120 120 PRO CA C 61.249 0.2 1 1179 120 120 PRO CB C 29.915 0.2 1 1180 120 120 PRO CG C 25.258 0.2 1 1181 120 120 PRO CD C 47.709 0.2 1 1182 121 121 LEU H H 8.241 0.001 1 1183 121 121 LEU HA H 4.28 0.001 1 1184 121 121 LEU HB2 H 1.402 0.001 2 1185 121 121 LEU HB3 H 1.492 0.001 2 1186 121 121 LEU HD1 H 0.488 0.001 1 1187 121 121 LEU C C 178.599 0.2 1 1188 121 121 LEU CA C 52.829 0.2 1 1189 121 121 LEU CB C 40.313 0.2 1 1190 121 121 LEU CG C 24.53 0.2 1 1191 121 121 LEU CD1 C 22.973 0.2 2 1192 121 121 LEU CD2 C 21.5 0.2 2 1193 121 121 LEU N N 123.962 0.2 1 1194 122 122 LYS H H 8.614 0.001 1 1195 122 122 LYS HA H 4.198 0.001 1 1196 122 122 LYS HB2 H 1.796 0.001 2 1197 122 122 LYS HG2 H 1.397 0.001 2 1198 122 122 LYS HD2 H 1.652 0.001 2 1199 122 122 LYS HE2 H 2.952 0.001 2 1200 122 122 LYS C C 177.618 0.2 1 1201 122 122 LYS CA C 54.942 0.2 1 1202 122 122 LYS CB C 30.735 0.2 1 1203 122 122 LYS CG C 22.751 0.2 1 1204 122 122 LYS CD C 26.745 0.2 1 1205 122 122 LYS CE C 39.621 0.2 1 1206 122 122 LYS N N 124.416 0.2 1 1207 123 123 SER H H 8.568 0.001 1 1208 123 123 SER HA H 3.834 0.001 1 1209 123 123 SER HB2 H 4.31 0.001 2 1210 123 123 SER C C 175.474 0.2 1 1211 123 123 SER CA C 56.676 0.2 1 1212 123 123 SER CB C 61.438 0.2 1 1213 123 123 SER N N 116.428 0.2 1 1214 124 124 ASN H H 8.117 0.001 1 1215 124 124 ASN C C 178.037 0.2 1 1216 124 124 ASN CA C 53.48 0.2 1 1217 124 124 ASN CB C 40.26 0.2 1 1218 124 124 ASN N N 123.738 0.2 1 1219 125 125 LEU HA H 4.283 0.001 1 1220 125 125 LEU HB2 H 1.57 0.001 2 1221 125 125 LEU HD1 H 0.803 0.001 1 1222 125 125 LEU HD2 H 0.882 0.001 1 1223 125 125 LEU C C 176.836 0.2 1 1224 125 125 LEU CA C 53.383 0.2 1 1225 125 125 LEU CB C 40.138 0.2 1 1226 125 125 LEU CG C 24.724 0.2 1 1227 125 125 LEU CD1 C 21.207 0.2 2 1228 125 125 LEU CD2 C 23.024 0.2 2 1229 126 126 GLU H H 8.146 0.001 1 1230 126 126 GLU HA H 4.103 0.001 1 1231 126 126 GLU HB2 H 1.863 0.001 2 1232 126 126 GLU HG2 H 2.166 0.001 2 1233 126 126 GLU HG3 H 2.089 0.001 2 1234 126 126 GLU CA C 54.687 0.2 1 1235 126 126 GLU CB C 27.728 0.2 1 1236 126 126 GLU CG C 33.982 0.2 1 1237 126 126 GLU N N 120.775 0.2 1 1238 127 127 HIS H H 8.14 0.001 1 1239 127 127 HIS HA H 4.473 0.001 1 1240 127 127 HIS HB2 H 2.995 0.001 2 1241 127 127 HIS HB3 H 2.52 0.001 2 1242 127 127 HIS CA C 57.765 0.2 1 1243 127 127 HIS CB C 37.138 0.2 1 1244 127 127 HIS N N 119.633 0.2 1 1245 128 128 HIS H H 8.531 0.001 1 1246 128 128 HIS N N 122.089 0.2 1 1247 131 131 HIS HA H 4.544 0.001 1 1248 131 131 HIS HB2 H 2.954 0.001 2 1249 131 131 HIS HB3 H 3.014 0.001 2 1250 131 131 HIS CA C 53.939 0.2 1 1251 131 131 HIS CB C 28.353 0.2 1 1252 132 132 HIS H H 7.978 0.001 1 1253 132 132 HIS HA H 4.745 0.001 1 1254 132 132 HIS N N 125.827 0.2 1 stop_ save_