data_15010 ####################### # 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 L66A ; _BMRB_accession_number 15010 _BMRB_flat_file_name bmr15010.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 'Spo0F mutant L66A' 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" 649 "13C chemical shifts" 476 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-05-09 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15008 'Spo0F H101A mutant' 15009 'Spo0F I90A 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 425 _Page_last 429 _Year 2007 _Details . loop_ _Keyword mutant Spo0F sporulation 'surface recognition' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Spo0FL66A monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Spo0FL66A monomer' $Spo0FL66A 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_Spo0FL66A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Spo0FL66A _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 DGIEIAKRMKVIDENIRVII MTAYGELDMIQESKELGALT HFAKPFDIDEIRDAVKKYLP 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 ALA 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 HIS 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 15008 Spo0FH101A 100.00 132 98.48 98.48 3.65e-87 BMRB 15009 Spo0FI90A 100.00 144 98.48 98.48 3.00e-87 BMRB 15011 Spo0FY13A 100.00 132 98.48 98.48 4.30e-87 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 3.94e-76 PDB 1FSP "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, 20 Structures" 93.94 124 99.19 99.19 2.46e-81 PDB 1NAT "Crystal Structure Of Spoof From Bacillus Subtilis" 93.94 124 99.19 99.19 2.46e-81 PDB 1PEY "Crystal Structure Of The Response Regulator Spo0f Complexed With Mn2+" 93.94 124 98.39 98.39 3.13e-80 PDB 1PUX "Nmr Solution Structure Of Bef3-Activated Spo0f, 20 Conformers" 93.94 124 99.19 99.19 2.46e-81 PDB 1SRR "Crystal Structure Of A Phosphatase Resistant Mutant Of Sporulation Response Regulator Spo0f From Bacillus Subtilis" 93.94 124 98.39 98.39 3.13e-80 PDB 2FSP "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, Minimized Average Structure" 93.94 124 99.19 99.19 2.46e-81 PDB 2FTK "Berylloflouride Spo0f Complex With Spo0b" 93.94 124 97.58 97.58 3.23e-79 PDB 2JVI "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant H101a From Bacillus Subtilis" 100.00 132 98.48 98.48 3.65e-87 PDB 2JVJ "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant I90a From Bacillus Subtilis" 100.00 132 98.48 98.48 1.20e-87 PDB 2JVK "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant L66a From Bacillus Subtilis" 100.00 132 100.00 100.00 2.65e-89 PDB 3Q15 "Crystal Structure Of Raph Complexed With Spo0f" 93.94 126 99.19 99.19 2.23e-81 DBJ BAI87374 "two-component response regulator [Bacillus subtilis subsp. natto BEST195]" 93.94 124 99.19 99.19 2.46e-81 DBJ BAM55796 "two-component response regulator [Bacillus subtilis BEST7613]" 93.18 123 99.19 99.19 1.52e-80 DBJ BAM59808 "two-component response regulator [Bacillus subtilis BEST7003]" 93.18 123 99.19 99.19 1.52e-80 DBJ GAK81027 "two-component response regulator [Bacillus subtilis Miyagi-4]" 93.94 124 99.19 99.19 2.46e-81 EMBL CAA27217 "unnamed protein product [Bacillus subtilis]" 93.94 124 99.19 99.19 2.46e-81 EMBL CAA89872 "spo0F [Bacillus subtilis subsp. subtilis str. 168]" 93.94 124 99.19 99.19 2.46e-81 EMBL CAB15730 "two-component response regulator [Bacillus subtilis subsp. subtilis str. 168]" 93.94 124 99.19 99.19 2.46e-81 EMBL CCU60811 "Sporulation initiation phosphotransferase (Spo0F) [Bacillus subtilis E1]" 93.94 124 99.19 99.19 2.46e-81 EMBL CEI59521 "sporulation initiation phosphotransferase F [Bacillus subtilis]" 93.94 124 99.19 99.19 2.46e-81 GB AAA16802 "spo0F [Bacillus subtilis]" 93.94 124 99.19 99.19 2.46e-81 GB AAA22787 "Spo0F protein [Bacillus subtilis]" 93.94 124 99.19 99.19 2.46e-81 GB ADM39703 "two-component response regulator [Bacillus subtilis subsp. spizizenii str. W23]" 93.18 123 99.19 99.19 1.52e-80 GB ADP34224 "two-component response regulator [Bacillus atrophaeus 1942]" 93.18 123 97.56 99.19 2.63e-79 GB ADV94523 "two-component response regulator [Bacillus subtilis BSn5]" 93.18 123 99.19 99.19 1.52e-80 PRF 1306301A "spo0F gene" 93.94 123 98.39 98.39 6.08e-79 REF NP_391594 "sporulation initiation phosphotransferase F [Bacillus subtilis subsp. subtilis str. 168]" 93.94 124 99.19 99.19 2.46e-81 REF WP_003221952 "MULTISPECIES: two-component system response regulator [Bacillales]" 93.18 123 99.19 99.19 1.52e-80 REF WP_003227621 "two-component system response regulator [Bacillus subtilis]" 93.94 124 99.19 99.19 2.46e-81 REF WP_010328945 "MULTISPECIES: two-component system response regulator [Bacillus]" 93.18 123 97.56 99.19 4.39e-79 REF WP_013390680 "two-component system response regulator [Bacillus atrophaeus]" 93.18 123 97.56 99.19 2.63e-79 SP P06628 "RecName: Full=Sporulation initiation phosphotransferase F; AltName: Full=Stage 0 sporulation protein F" 93.94 124 99.19 99.19 2.46e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Spo0FL66A '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 $Spo0FL66A 'recombinant technology' . Escherichia coli . 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 $Spo0FL66A . mM 1.0 2.0 '[U-100% 13C; U-100% 15N]' TRIS 25 mM . . none 'potassium chloride' 50 mM . . none stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . 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_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 HN(CA)CO' 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 'Spo0FL66A 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 CA C 53.039 0.2 1 2 2 2 MET CB C 29.737 0.2 1 3 3 3 ASN H H 8.436 0.001 1 4 3 3 ASN HA H 4.695 0.001 1 5 3 3 ASN HB2 H 3.138 0.001 2 6 3 3 ASN HB3 H 2.978 0.001 2 7 3 3 ASN HD21 H 7.721 0.001 2 8 3 3 ASN HD22 H 6.984 0.001 2 9 3 3 ASN CA C 51.092 0.2 1 10 3 3 ASN CB C 36.148 0.2 1 11 3 3 ASN N N 117.688 0.2 1 12 3 3 ASN ND2 N 112.588 0.2 1 13 4 4 GLU HA H 4.503 0.001 1 14 4 4 GLU HB2 H 2.18 0.001 2 15 4 4 GLU HG2 H 2.449 0.001 2 16 4 4 GLU HG3 H 2.372 0.001 2 17 4 4 GLU CA C 56.61 0.2 1 18 4 4 GLU CB C 28.66 0.2 1 19 4 4 GLU CG C 34.968 0.2 1 20 5 5 LYS H H 9.186 0.001 1 21 5 5 LYS HA H 5.536 0.001 1 22 5 5 LYS HB2 H 1.972 0.001 2 23 5 5 LYS HB3 H 1.609 0.001 2 24 5 5 LYS HG2 H 1.798 0.001 2 25 5 5 LYS HD2 H 1.661 0.001 2 26 5 5 LYS HE2 H 3.156 0.001 2 27 5 5 LYS HE3 H 2.872 0.001 2 28 5 5 LYS C C 176.195 0.2 1 29 5 5 LYS CA C 53.211 0.2 1 30 5 5 LYS CB C 35.455 0.2 1 31 5 5 LYS CG C 22.698 0.2 1 32 5 5 LYS CD C 27.878 0.2 1 33 5 5 LYS CE C 39.618 0.2 1 34 5 5 LYS N N 120.376 0.2 1 35 6 6 ILE H H 8.825 0.001 1 36 6 6 ILE HA H 4.862 0.001 1 37 6 6 ILE HB H 1.237 0.001 1 38 6 6 ILE HG12 H 1.054 0.001 1 39 6 6 ILE HG13 H 0.619 0.001 1 40 6 6 ILE HG2 H 0.331 0.001 1 41 6 6 ILE HD1 H -0.643 0.001 1 42 6 6 ILE C C 174.142 0.2 1 43 6 6 ILE CA C 56.745 0.2 1 44 6 6 ILE CB C 40.373 0.2 1 45 6 6 ILE CG1 C 24.631 0.2 1 46 6 6 ILE CG2 C 14.128 0.2 1 47 6 6 ILE CD1 C 10.801 0.2 1 48 6 6 ILE N N 121.777 0.2 1 49 7 7 LEU H H 8.819 0.001 1 50 7 7 LEU HA H 5.15 0.001 1 51 7 7 LEU HB2 H 1.753 0.001 2 52 7 7 LEU HB3 H 1.077 0.001 2 53 7 7 LEU HG H 1.088 0.001 1 54 7 7 LEU HD1 H 0.756 0.001 2 55 7 7 LEU HD2 H 0.705 0.001 2 56 7 7 LEU C C 173.219 0.2 1 57 7 7 LEU CA C 49.916 0.2 1 58 7 7 LEU CB C 42.228 0.2 1 59 7 7 LEU CD1 C 20.881 0.2 1 60 7 7 LEU CD2 C 24.91 0.2 1 61 7 7 LEU N N 127.967 0.2 1 62 8 8 ILE H H 9.016 0.001 1 63 8 8 ILE HA H 4.393 0.001 1 64 8 8 ILE HB H 1.884 0.001 1 65 8 8 ILE HG12 H 1.567 0.001 1 66 8 8 ILE HG13 H 1.641 0.001 1 67 8 8 ILE HG2 H 0.958 0.001 1 68 8 8 ILE HD1 H 1.005 0.001 1 69 8 8 ILE C C 173.673 0.2 1 70 8 8 ILE CA C 58.624 0.2 1 71 8 8 ILE CB C 38.015 0.2 1 72 8 8 ILE CG2 C 17.543 0.2 1 73 8 8 ILE CD1 C 12.606 0.2 1 74 8 8 ILE N N 128.818 0.2 1 75 9 9 VAL H H 9.078 0.001 1 76 9 9 VAL HA H 4.953 0.001 1 77 9 9 VAL HB H 2.353 0.001 1 78 9 9 VAL HG1 H 0.689 0.001 2 79 9 9 VAL HG2 H 0.534 0.001 2 80 9 9 VAL C C 173.672 0.2 1 81 9 9 VAL CA C 57.461 0.2 1 82 9 9 VAL CB C 29.757 0.2 1 83 9 9 VAL CG1 C 18.933 0.2 1 84 9 9 VAL CG2 C 18.159 0.2 1 85 9 9 VAL N N 128.398 0.2 1 86 10 10 ASP H H 7.907 0.001 1 87 10 10 ASP HA H 4.852 0.001 1 88 10 10 ASP HB2 H 2.344 0.001 2 89 10 10 ASP CA C 52.186 0.2 1 90 10 10 ASP CB C 42.527 0.2 1 91 10 10 ASP N N 123.631 0.2 1 92 11 11 ASP H H 9.126 0.001 1 93 11 11 ASP HA H 4.577 0.001 1 94 11 11 ASP HB2 H 2.687 0.001 2 95 11 11 ASP HB3 H 2.856 0.001 2 96 11 11 ASP CA C 52.939 0.2 1 97 11 11 ASP CB C 40.334 0.2 1 98 11 11 ASP N N 127.092 0.2 1 99 12 12 GLN H H 9.666 0.001 1 100 12 12 GLN HA H 4.395 0.001 1 101 12 12 GLN HB2 H 2.15 0.001 2 102 12 12 GLN HB3 H 2.025 0.001 2 103 12 12 GLN HG2 H 2.357 0.001 2 104 12 12 GLN HG3 H 2.496 0.001 2 105 12 12 GLN CA C 52.586 0.2 1 106 12 12 GLN CB C 25.739 0.2 1 107 12 12 GLN CG C 31.669 0.2 1 108 12 12 GLN N N 120.8 0.2 1 109 13 13 TYR H H 8.897 0.001 1 110 13 13 TYR HA H 3.89 0.001 1 111 13 13 TYR HB2 H 2.928 0.001 2 112 13 13 TYR HB3 H 3.245 0.001 2 113 13 13 TYR HD1 H 7.072 0.001 3 114 13 13 TYR HE1 H 6.791 0.001 3 115 13 13 TYR CA C 59.278 0.2 1 116 13 13 TYR CB C 36.42 0.2 1 117 13 13 TYR N N 129.345 0.2 1 118 14 14 GLY H H 8.871 0.001 1 119 14 14 GLY HA2 H 3.802 0.001 2 120 14 14 GLY HA3 H 3.564 0.001 2 121 14 14 GLY C C 176.655 0.2 1 122 14 14 GLY CA C 45 0.2 1 123 14 14 GLY N N 103.672 0.2 1 124 15 15 ILE H H 6.945 0.001 1 125 15 15 ILE HA H 4.131 0.001 1 126 15 15 ILE HB H 2.095 0.001 1 127 15 15 ILE HG12 H 1.416 0.001 1 128 15 15 ILE HG13 H 1.217 0.001 1 129 15 15 ILE HG2 H 0.667 0.001 1 130 15 15 ILE HD1 H 0.903 0.001 1 131 15 15 ILE CA C 58.633 0.2 1 132 15 15 ILE CB C 33.764 0.2 1 133 15 15 ILE CG1 C 26.579 0.2 1 134 15 15 ILE CG2 C 7.418 0.2 1 135 15 15 ILE CD1 C 15.242 0.2 1 136 15 15 ILE N N 120.381 0.2 1 137 16 16 ARG H H 7.826 0.001 1 138 16 16 ARG HA H 3.918 0.001 1 139 16 16 ARG HB2 H 1.89 0.001 2 140 16 16 ARG HB3 H 1.664 0.001 2 141 16 16 ARG HG2 H 1.727 0.001 2 142 16 16 ARG HG3 H 1.864 0.001 2 143 16 16 ARG HD2 H 2.945 0.001 2 144 16 16 ARG HD3 H 2.755 0.001 2 145 16 16 ARG C C 178.43 0.2 1 146 16 16 ARG CA C 59.288 0.2 1 147 16 16 ARG CB C 27.985 0.2 1 148 16 16 ARG CG C 26.545 0.2 1 149 16 16 ARG CD C 41.26 0.2 1 150 16 16 ARG N N 119.783 0.2 1 151 17 17 ILE H H 8.191 0.001 1 152 17 17 ILE HA H 3.753 0.001 1 153 17 17 ILE HB H 1.629 0.001 1 154 17 17 ILE HG12 H 1.14 0.001 1 155 17 17 ILE HG2 H 0.706 0.001 1 156 17 17 ILE HD1 H 0.639 0.001 1 157 17 17 ILE C C 178.43 0.2 1 158 17 17 ILE CA C 60.795 0.2 1 159 17 17 ILE CB C 32.58 0.2 1 160 17 17 ILE CG1 C 25.051 0.2 1 161 17 17 ILE CG2 C 15.288 0.2 1 162 17 17 ILE CD1 C 9.749 0.2 1 163 17 17 ILE N N 115.196 0.2 1 164 18 18 LEU H H 7.236 0.001 1 165 18 18 LEU HA H 4.189 0.001 1 166 18 18 LEU HB2 H 1.364 0.001 2 167 18 18 LEU HB3 H 1.045 0.001 2 168 18 18 LEU HG H 1.518 0.001 1 169 18 18 LEU HD1 H 0.815 0.001 2 170 18 18 LEU HD2 H 0.9 0.001 2 171 18 18 LEU C C 178.796 0.2 1 172 18 18 LEU CA C 55.295 0.2 1 173 18 18 LEU CB C 40.318 0.2 1 174 18 18 LEU CG C 22.523 0.2 1 175 18 18 LEU CD1 C 24.623 0.2 1 176 18 18 LEU CD2 C 21.238 0.2 1 177 18 18 LEU N N 124.065 0.2 1 178 19 19 LEU H H 8.178 0.001 1 179 19 19 LEU HA H 3.715 0.001 1 180 19 19 LEU HB2 H 1.21 0.001 2 181 19 19 LEU HB3 H 1.982 0.001 2 182 19 19 LEU HG H 1.919 0.001 1 183 19 19 LEU HD1 H 0.826 0.001 2 184 19 19 LEU HD2 H 0.543 0.001 2 185 19 19 LEU C C 178.018 0.2 1 186 19 19 LEU CA C 54.749 0.2 1 187 19 19 LEU CB C 39.277 0.2 1 188 19 19 LEU CD1 C 24.154 0.2 1 189 19 19 LEU CD2 C 19.871 0.2 1 190 19 19 LEU N N 116.886 0.2 1 191 20 20 ASN H H 8.392 0.001 1 192 20 20 ASN HA H 4.103 0.001 1 193 20 20 ASN HB2 H 2.818 0.001 2 194 20 20 ASN HB3 H 2.582 0.001 2 195 20 20 ASN HD21 H 6.884 0.001 2 196 20 20 ASN HD22 H 7.554 0.001 2 197 20 20 ASN C C 176.54 0.2 1 198 20 20 ASN CA C 55.208 0.2 1 199 20 20 ASN CB C 37.929 0.2 1 200 20 20 ASN N N 117.812 0.2 1 201 20 20 ASN ND2 N 114.819 0.2 1 202 21 21 GLU H H 7.932 0.001 1 203 21 21 GLU HA H 4.143 0.001 1 204 21 21 GLU HG2 H 2.314 0.001 2 205 21 21 GLU HG3 H 2.279 0.001 2 206 21 21 GLU CA C 56.267 0.2 1 207 21 21 GLU CB C 27.157 0.2 1 208 21 21 GLU CG C 33.579 0.2 1 209 21 21 GLU N N 118.677 0.2 1 210 22 22 VAL H H 7.945 0.001 1 211 22 22 VAL HA H 3.522 0.001 1 212 22 22 VAL HB H 1.687 0.001 1 213 22 22 VAL HG1 H 0.894 0.001 2 214 22 22 VAL HG2 H 0.306 0.001 2 215 22 22 VAL C C 178.701 0.2 1 216 22 22 VAL CA C 63.312 0.2 1 217 22 22 VAL CB C 29.774 0.2 1 218 22 22 VAL CG1 C 20.212 0.2 1 219 22 22 VAL CG2 C 16.579 0.2 1 220 22 22 VAL N N 118.565 0.2 1 221 23 23 PHE H H 8.086 0.001 1 222 23 23 PHE HA H 4.594 0.001 1 223 23 23 PHE HB2 H 3.04 0.001 2 224 23 23 PHE HB3 H 2.946 0.001 2 225 23 23 PHE C C 178.404 0.2 1 226 23 23 PHE CA C 58.431 0.2 1 227 23 23 PHE CB C 35.105 0.2 1 228 23 23 PHE N N 116.713 0.2 1 229 24 24 ASN H H 8.831 0.001 1 230 24 24 ASN HA H 4.886 0.001 1 231 24 24 ASN HB2 H 2.982 0.001 2 232 24 24 ASN HB3 H 2.759 0.001 2 233 24 24 ASN HD21 H 7.588 0.001 2 234 24 24 ASN HD22 H 6.927 0.001 2 235 24 24 ASN CA C 54.096 0.2 1 236 24 24 ASN CB C 36.53 0.2 1 237 24 24 ASN N N 122.126 0.2 1 238 24 24 ASN ND2 N 112.834 0.2 1 239 25 25 LYS H H 7.977 0.001 1 240 25 25 LYS HA H 4.07 0.001 1 241 25 25 LYS HB2 H 1.946 0.001 2 242 25 25 LYS HG2 H 1.475 0.001 2 243 25 25 LYS HG3 H 1.663 0.001 2 244 25 25 LYS HD2 H 1.603 0.001 2 245 25 25 LYS HE2 H 2.96 0.001 2 246 25 25 LYS HE3 H 2.811 0.001 2 247 25 25 LYS CA C 56.573 0.2 1 248 25 25 LYS CB C 29.916 0.2 1 249 25 25 LYS CG C 22.838 0.2 1 250 25 25 LYS CD C 26.557 0.2 1 251 25 25 LYS CE C 39.574 0.2 1 252 25 25 LYS N N 120.836 0.2 1 253 26 26 GLU H H 7.267 0.001 1 254 26 26 GLU HA H 4.179 0.001 1 255 26 26 GLU HB2 H 2.344 0.001 2 256 26 26 GLU HB3 H 2.503 0.001 2 257 26 26 GLU HG2 H 2.614 0.001 2 258 26 26 GLU HG3 H 2.244 0.001 2 259 26 26 GLU CA C 53.383 0.2 1 260 26 26 GLU CB C 28.168 0.2 1 261 26 26 GLU CG C 33.161 0.2 1 262 26 26 GLU N N 115.602 0.2 1 263 27 27 GLY H H 7.5 0.001 1 264 27 27 GLY HA2 H 4.213 0.001 2 265 27 27 GLY HA3 H 3.583 0.001 2 266 27 27 GLY C C 174.38 0.2 1 267 27 27 GLY CA C 41.923 0.2 1 268 27 27 GLY N N 103.645 0.2 1 269 28 28 TYR H H 7.606 0.001 1 270 28 28 TYR HA H 4.393 0.001 1 271 28 28 TYR HB2 H 2.819 0.001 2 272 28 28 TYR HB3 H 2.388 0.001 2 273 28 28 TYR HD1 H 7.188 0.001 3 274 28 28 TYR HE1 H 6.696 0.001 3 275 28 28 TYR C C 176.194 0.2 1 276 28 28 TYR CA C 56.073 0.2 1 277 28 28 TYR CB C 36.599 0.2 1 278 28 28 TYR N N 119.101 0.2 1 279 29 29 GLN H H 8.759 0.001 1 280 29 29 GLN HA H 4.451 0.001 1 281 29 29 GLN HB2 H 2.103 0.001 2 282 29 29 GLN HG2 H 2.354 0.001 2 283 29 29 GLN HG3 H 2.076 0.001 2 284 29 29 GLN HE21 H 6.858 0.001 2 285 29 29 GLN HE22 H 7.449 0.001 2 286 29 29 GLN C C 175.293 0.2 1 287 29 29 GLN CA C 52.907 0.2 1 288 29 29 GLN CB C 27.377 0.2 1 289 29 29 GLN CG C 31.492 0.2 1 290 29 29 GLN N N 122.646 0.2 1 291 29 29 GLN NE2 N 112.299 0.2 1 292 30 30 THR H H 7.977 0.001 1 293 30 30 THR HA H 5.445 0.001 1 294 30 30 THR HB H 4.114 0.001 1 295 30 30 THR HG2 H 1.112 0.001 1 296 30 30 THR C C 173.706 0.2 1 297 30 30 THR CA C 57.096 0.2 1 298 30 30 THR CB C 68.332 0.2 1 299 30 30 THR CG2 C 20.714 0.2 1 300 30 30 THR N N 116.083 0.2 1 301 31 31 PHE H H 8.821 0.001 1 302 31 31 PHE HA H 4.811 0.001 1 303 31 31 PHE HB2 H 2.574 0.001 2 304 31 31 PHE HB3 H 3.179 0.001 2 305 31 31 PHE HD1 H 7.037 0.001 3 306 31 31 PHE HE1 H 6.765 0.001 3 307 31 31 PHE C C 174.301 0.2 1 308 31 31 PHE CA C 53.421 0.2 1 309 31 31 PHE CB C 42.13 0.2 1 310 31 31 PHE N N 120.001 0.2 1 311 32 32 GLN H H 8.942 0.001 1 312 32 32 GLN HA H 5.392 0.001 1 313 32 32 GLN HB2 H 2.008 0.001 2 314 32 32 GLN HB3 H 1.908 0.001 2 315 32 32 GLN HG2 H 2.286 0.001 2 316 32 32 GLN HG3 H 1.918 0.001 2 317 32 32 GLN HE21 H 6.574 0.001 2 318 32 32 GLN HE22 H 7.248 0.001 2 319 32 32 GLN CA C 51.847 0.2 1 320 32 32 GLN CB C 31.751 0.2 1 321 32 32 GLN N N 120.005 0.2 1 322 32 32 GLN NE2 N 110.98 0.2 1 323 33 33 ALA H H 8.873 0.001 1 324 33 33 ALA HA H 4.62 0.001 1 325 33 33 ALA HB H 1.389 0.001 1 326 33 33 ALA C C 174.743 0.2 1 327 33 33 ALA CA C 47.871 0.2 1 328 33 33 ALA CB C 21.345 0.2 1 329 33 33 ALA N N 120.807 0.2 1 330 34 34 ALA H H 8.419 0.001 1 331 34 34 ALA HA H 4.574 0.001 1 332 34 34 ALA HB H 1.434 0.001 1 333 34 34 ALA C C 175.875 0.2 1 334 34 34 ALA CA C 48.895 0.2 1 335 34 34 ALA CB C 18.887 0.2 1 336 34 34 ALA N N 120.533 0.2 1 337 35 35 ASN H H 7.32 0.001 1 338 35 35 ASN HA H 4.572 0.001 1 339 35 35 ASN HB2 H 2.984 0.001 2 340 35 35 ASN HD21 H 6.934 0.001 2 341 35 35 ASN HD22 H 7.693 0.001 2 342 35 35 ASN C C 174.981 0.2 1 343 35 35 ASN CA C 49.091 0.2 1 344 35 35 ASN CB C 38.064 0.2 1 345 35 35 ASN N N 109.404 0.2 1 346 35 35 ASN ND2 N 115.299 0.2 1 347 36 36 GLY H H 9.119 0.001 1 348 36 36 GLY HA2 H 3.529 0.001 2 349 36 36 GLY HA3 H 3.609 0.001 2 350 36 36 GLY CA C 45.211 0.2 1 351 36 36 GLY N N 107.615 0.2 1 352 37 37 LEU H H 7.978 0.001 1 353 37 37 LEU HA H 4.068 0.001 1 354 37 37 LEU HB2 H 1.737 0.001 2 355 37 37 LEU HB3 H 1.53 0.001 2 356 37 37 LEU HG H 1.711 0.001 1 357 37 37 LEU HD1 H 0.893 0.001 2 358 37 37 LEU HD2 H 0.893 0.001 2 359 37 37 LEU C C 179.361 0.2 1 360 37 37 LEU CA C 55.759 0.2 1 361 37 37 LEU CB C 38.289 0.2 1 362 37 37 LEU CG C 24.582 0.2 1 363 37 37 LEU CD1 C 22.97 0.2 1 364 37 37 LEU CD2 C 20.65 0.2 1 365 37 37 LEU N N 122.136 0.2 1 366 38 38 GLN H H 8.44 0.001 1 367 38 38 GLN HA H 4.388 0.001 1 368 38 38 GLN HB2 H 2.112 0.001 2 369 38 38 GLN HG2 H 2.742 0.001 2 370 38 38 GLN HG3 H 2.41 0.001 2 371 38 38 GLN HE21 H 6.914 0.001 2 372 38 38 GLN HE22 H 7.562 0.001 2 373 38 38 GLN CA C 55.246 0.2 1 374 38 38 GLN CB C 26.623 0.2 1 375 38 38 GLN CG C 31.167 0.2 1 376 38 38 GLN N N 119.569 0.2 1 377 38 38 GLN NE2 N 111.754 0.2 1 378 39 39 ALA H H 7.83 0.001 1 379 39 39 ALA HA H 3.698 0.001 1 380 39 39 ALA HB H 1.359 0.001 1 381 39 39 ALA C C 178.559 0.2 1 382 39 39 ALA CA C 52.48 0.2 1 383 39 39 ALA CB C 16.55 0.2 1 384 39 39 ALA N N 119.719 0.2 1 385 40 40 LEU H H 8.087 0.001 1 386 40 40 LEU HA H 3.745 0.001 1 387 40 40 LEU HB2 H 1.415 0.001 2 388 40 40 LEU HB3 H 1.91 0.001 2 389 40 40 LEU HG H 1.859 0.001 1 390 40 40 LEU HD1 H 0.79 0.001 2 391 40 40 LEU HD2 H 0.837 0.001 2 392 40 40 LEU C C 179.325 0.2 1 393 40 40 LEU CA C 55.205 0.2 1 394 40 40 LEU CB C 38.565 0.2 1 395 40 40 LEU CG C 24.279 0.2 1 396 40 40 LEU CD1 C 23.042 0.2 1 397 40 40 LEU CD2 C 20.904 0.2 1 398 40 40 LEU N N 117.123 0.2 1 399 41 41 ASP H H 7.71 0.001 1 400 41 41 ASP HA H 4.384 0.001 1 401 41 41 ASP HB2 H 2.11 0.001 2 402 41 41 ASP C C 177.177 0.2 1 403 41 41 ASP CA C 55.289 0.2 1 404 41 41 ASP CB C 38.449 0.2 1 405 41 41 ASP N N 122.05 0.2 1 406 42 42 ILE H H 7.601 0.001 1 407 42 42 ILE HA H 3.648 0.001 1 408 42 42 ILE HB H 1.762 0.001 1 409 42 42 ILE HG2 H 0.453 0.001 1 410 42 42 ILE HD1 H 0.849 0.001 1 411 42 42 ILE CA C 62.462 0.2 1 412 42 42 ILE CB C 34.69 0.2 1 413 42 42 ILE CG1 C 26.403 0.2 1 414 42 42 ILE CG2 C 15.511 0.2 1 415 42 42 ILE CD1 C 11.763 0.2 1 416 42 42 ILE N N 121.711 0.2 1 417 43 43 VAL H H 8.465 0.001 1 418 43 43 VAL HA H 3.28 0.001 1 419 43 43 VAL HB H 2.057 0.001 1 420 43 43 VAL HG1 H 0.898 0.001 2 421 43 43 VAL HG2 H 0.808 0.001 2 422 43 43 VAL C C 177.605 0.2 1 423 43 43 VAL CA C 64.625 0.2 1 424 43 43 VAL CB C 28.583 0.2 1 425 43 43 VAL CG1 C 21.52 0.2 1 426 43 43 VAL CG2 C 18.439 0.2 1 427 43 43 VAL N N 121.466 0.2 1 428 44 44 THR H H 7.946 0.001 1 429 44 44 THR HA H 3.652 0.001 1 430 44 44 THR HB H 4.292 0.001 1 431 44 44 THR HG2 H 1.177 0.001 1 432 44 44 THR C C 174.836 0.2 1 433 44 44 THR CA C 64.184 0.2 1 434 44 44 THR CB C 66.33 0.2 1 435 44 44 THR CG2 C 18.592 0.2 1 436 44 44 THR N N 113.976 0.2 1 437 45 45 LYS H H 7.751 0.001 1 438 45 45 LYS HA H 4.045 0.001 1 439 45 45 LYS HB2 H 1.733 0.001 2 440 45 45 LYS HG2 H 1.301 0.001 2 441 45 45 LYS HG3 H 1.42 0.001 2 442 45 45 LYS HD2 H 1.578 0.001 2 443 45 45 LYS HE2 H 2.93 0.001 2 444 45 45 LYS C C 178.11 0.2 1 445 45 45 LYS CA C 56.306 0.2 1 446 45 45 LYS CB C 32.522 0.2 1 447 45 45 LYS CG C 23.029 0.2 1 448 45 45 LYS CD C 26.579 0.2 1 449 45 45 LYS CE C 39.567 0.2 1 450 45 45 LYS N N 118.849 0.2 1 451 46 46 GLU H H 8.722 0.001 1 452 46 46 GLU HA H 4.283 0.001 1 453 46 46 GLU HB2 H 2.295 0.001 2 454 46 46 GLU HG2 H 1.807 0.001 2 455 46 46 GLU C C 176.488 0.2 1 456 46 46 GLU CA C 52.522 0.2 1 457 46 46 GLU CB C 27.772 0.2 1 458 46 46 GLU CG C 31.649 0.2 1 459 46 46 GLU N N 114.573 0.2 1 460 47 47 ARG H H 7.676 0.001 1 461 47 47 ARG HA H 4.303 0.001 1 462 47 47 ARG HD2 H 3.218 0.001 2 463 47 47 ARG CA C 52.449 0.2 1 464 47 47 ARG CB C 24.766 0.2 1 465 47 47 ARG N N 113.067 0.2 1 466 48 48 PRO HA H 4.202 0.001 1 467 48 48 PRO HB2 H 1.78 0.001 2 468 48 48 PRO HB3 H 1.63 0.001 2 469 48 48 PRO HG2 H 1.475 0.001 2 470 48 48 PRO HD2 H 3.613 0.001 2 471 48 48 PRO HD3 H 3.421 0.001 2 472 48 48 PRO CA C 59.651 0.2 1 473 48 48 PRO CB C 28.863 0.2 1 474 48 48 PRO CG C 24.574 0.2 1 475 48 48 PRO CD C 47.701 0.2 1 476 49 49 ASP H H 8.176 0.001 1 477 49 49 ASP HA H 4.436 0.001 1 478 49 49 ASP HB2 H 2.676 0.001 2 479 49 49 ASP HB3 H 2.541 0.001 2 480 49 49 ASP C C 175.994 0.2 1 481 49 49 ASP CA C 53.901 0.2 1 482 49 49 ASP CB C 41.035 0.2 1 483 49 49 ASP N N 118.846 0.2 1 484 50 50 LEU H H 7.6 0.001 1 485 50 50 LEU HA H 5.121 0.001 1 486 50 50 LEU HB2 H 1.285 0.001 2 487 50 50 LEU HG H 1.781 0.001 1 488 50 50 LEU HD1 H 0.502 0.001 2 489 50 50 LEU HD2 H 0.638 0.001 2 490 50 50 LEU C C 173.34 0.2 1 491 50 50 LEU CA C 50.805 0.2 1 492 50 50 LEU CB C 44.231 0.2 1 493 50 50 LEU CG C 23.443 0.2 1 494 50 50 LEU CD1 C 24.091 0.2 1 495 50 50 LEU CD2 C 22.51 0.2 1 496 50 50 LEU N N 118.685 0.2 1 497 51 51 VAL H H 8.849 0.001 1 498 51 51 VAL HA H 5.066 0.001 1 499 51 51 VAL HB H 1.878 0.001 1 500 51 51 VAL HG2 H 0.822 0.001 2 501 51 51 VAL C C 173.608 0.2 1 502 51 51 VAL CA C 56.837 0.2 1 503 51 51 VAL CB C 33.076 0.2 1 504 51 51 VAL CG2 C 19.192 0.2 1 505 51 51 VAL N N 125.537 0.2 1 506 52 52 LEU H H 8.864 0.001 1 507 52 52 LEU HA H 4.996 0.001 1 508 52 52 LEU HB2 H 1.608 0.001 2 509 52 52 LEU HG H 1.387 0.001 1 510 52 52 LEU HD1 H 0.695 0.001 2 511 52 52 LEU C C 174.302 0.2 1 512 52 52 LEU CA C 51.045 0.2 1 513 52 52 LEU CB C 40.086 0.2 1 514 52 52 LEU CG C 25.833 0.2 1 515 52 52 LEU CD1 C 23.242 0.2 1 516 52 52 LEU N N 128.842 0.2 1 517 53 53 LEU H H 8.842 0.001 1 518 53 53 LEU HA H 4.791 0.001 1 519 53 53 LEU HB2 H 0.937 0.001 2 520 53 53 LEU HG H 1.399 0.001 1 521 53 53 LEU HD1 H 0.743 0.001 2 522 53 53 LEU HD2 H 0.729 0.001 2 523 53 53 LEU C C 174.158 0.2 1 524 53 53 LEU CA C 51.127 0.2 1 525 53 53 LEU CB C 44.557 0.2 1 526 53 53 LEU CD1 C 21.834 0.2 1 527 53 53 LEU CD2 C 24.022 0.2 1 528 53 53 LEU N N 126.247 0.2 1 529 54 54 ASP H H 8.28 0.001 1 530 54 54 ASP HA H 4.923 0.001 1 531 54 54 ASP HB2 H 2.747 0.001 2 532 54 54 ASP HB3 H 2.981 0.001 2 533 54 54 ASP C C 175.915 0.2 1 534 54 54 ASP CA C 52.937 0.2 1 535 54 54 ASP CB C 41.469 0.2 1 536 54 54 ASP N N 128.415 0.2 1 537 55 55 MET H H 8.035 0.001 1 538 55 55 MET HA H 4.483 0.001 1 539 55 55 MET HB2 H 2.06 0.001 2 540 55 55 MET HB3 H 2.505 0.001 2 541 55 55 MET HG2 H 2.707 0.001 2 542 55 55 MET HG3 H 2.334 0.001 2 543 55 55 MET C C 177.702 0.2 1 544 55 55 MET CA C 53.008 0.2 1 545 55 55 MET CB C 30.711 0.2 1 546 55 55 MET CG C 31.354 0.2 1 547 56 56 LYS H H 8.661 0.001 1 548 56 56 LYS HA H 4.602 0.001 1 549 56 56 LYS HB2 H 1.733 0.001 2 550 56 56 LYS HB3 H 2.068 0.001 2 551 56 56 LYS HG2 H 1.529 0.001 2 552 56 56 LYS HG3 H 1.388 0.001 2 553 56 56 LYS HD2 H 1.71 0.001 2 554 56 56 LYS HE2 H 2.996 0.001 2 555 56 56 LYS HE3 H 2.872 0.001 2 556 56 56 LYS C C 176.011 0.2 1 557 56 56 LYS CA C 51.532 0.2 1 558 56 56 LYS CB C 28.801 0.2 1 559 56 56 LYS CG C 21.923 0.2 1 560 56 56 LYS CD C 25.812 0.2 1 561 56 56 LYS CE C 39.378 0.2 1 562 56 56 LYS N N 121.034 0.2 1 563 57 57 ILE H H 7.364 0.001 1 564 57 57 ILE HA H 4.235 0.001 1 565 57 57 ILE HG12 H 1.61 0.001 1 566 57 57 ILE HG2 H 0.979 0.001 1 567 57 57 ILE CA C 56.405 0.2 1 568 57 57 ILE CB C 36.607 0.2 1 569 57 57 ILE N N 124.099 0.2 1 570 58 58 PRO HA H 4.338 0.001 1 571 58 58 PRO HB2 H 2.331 0.001 2 572 58 58 PRO HB3 H 1.958 0.001 2 573 58 58 PRO HG2 H 2.143 0.001 2 574 58 58 PRO HG3 H 1.993 0.001 2 575 58 58 PRO HD2 H 3.664 0.001 2 576 58 58 PRO HD3 H 3.978 0.001 2 577 58 58 PRO C C 177.396 0.2 1 578 58 58 PRO CA C 61.11 0.2 1 579 58 58 PRO CB C 29.241 0.2 1 580 58 58 PRO CG C 25.278 0.2 1 581 58 58 PRO CD C 48.882 0.2 1 582 59 59 GLY H H 8.73 0.001 1 583 59 59 GLY HA2 H 4.218 0.001 2 584 59 59 GLY HA3 H 3.613 0.001 2 585 59 59 GLY C C 173.689 0.2 1 586 59 59 GLY CA C 43.029 0.2 1 587 59 59 GLY N N 112.189 0.2 1 588 60 60 MET H H 7.738 0.001 1 589 60 60 MET HA H 4.342 0.001 1 590 60 60 MET HB2 H 1.98 0.001 2 591 60 60 MET HG2 H 2.212 0.001 2 592 60 60 MET HG3 H 2.47 0.001 2 593 60 60 MET C C 175.097 0.2 1 594 60 60 MET CA C 53.066 0.2 1 595 60 60 MET CB C 32.831 0.2 1 596 60 60 MET N N 122.346 0.2 1 597 61 61 ASP H H 8.49 0.001 1 598 61 61 ASP HA H 4.697 0.001 1 599 61 61 ASP HB2 H 2.747 0.001 2 600 61 61 ASP HB3 H 2.843 0.001 2 601 61 61 ASP CA C 50.788 0.2 1 602 61 61 ASP CB C 38.806 0.2 1 603 61 61 ASP N N 124.949 0.2 1 604 62 62 GLY H H 8.901 0.001 1 605 62 62 GLY HA2 H 3.775 0.001 2 606 62 62 GLY HA3 H 4.047 0.001 2 607 62 62 GLY CA C 45.217 0.2 1 608 62 62 GLY N N 110.6 0.2 1 609 63 63 ILE H H 7.976 0.001 1 610 63 63 ILE HA H 3.831 0.001 1 611 63 63 ILE HB H 2.144 0.001 1 612 63 63 ILE HG12 H 1.325 0.001 1 613 63 63 ILE HG13 H 1.408 0.001 1 614 63 63 ILE HG2 H 0.859 0.001 1 615 63 63 ILE HD1 H 0.838 0.001 1 616 63 63 ILE C C 177.421 0.2 1 617 63 63 ILE CA C 60.619 0.2 1 618 63 63 ILE CB C 33.688 0.2 1 619 63 63 ILE CG1 C 25.514 0.2 1 620 63 63 ILE CG2 C 22.436 0.2 1 621 63 63 ILE CD1 C 14.678 0.2 1 622 63 63 ILE N N 120.441 0.2 1 623 64 64 GLU H H 7.492 0.001 1 624 64 64 GLU HA H 3.971 0.001 1 625 64 64 GLU HB2 H 1.986 0.001 2 626 64 64 GLU HG2 H 2.279 0.001 2 627 64 64 GLU C C 179.433 0.2 1 628 64 64 GLU CA C 56.568 0.2 1 629 64 64 GLU CB C 26.818 0.2 1 630 64 64 GLU CG C 33.171 0.2 1 631 64 64 GLU N N 121.048 0.2 1 632 65 65 ILE H H 8.301 0.001 1 633 65 65 ILE HA H 3.613 0.001 1 634 65 65 ILE HB H 2.043 0.001 1 635 65 65 ILE HG12 H 1.354 0.001 1 636 65 65 ILE HG2 H 0.846 0.001 1 637 65 65 ILE HD1 H 0.729 0.001 1 638 65 65 ILE C C 177.633 0.2 1 639 65 65 ILE CA C 61.007 0.2 1 640 65 65 ILE CB C 34.302 0.2 1 641 65 65 ILE CG1 C 25.344 0.2 1 642 65 65 ILE CG2 C 15.034 0.2 1 643 65 65 ILE CD1 C 9.186 0.2 1 644 65 65 ILE N N 118.911 0.2 1 645 66 66 ALA H H 8.234 0.001 1 646 66 66 ALA HA H 3.863 0.001 1 647 66 66 ALA HB H 3.029 0.001 1 648 66 66 ALA C C 179.829 0.2 1 649 66 66 ALA CA C 53.004 0.2 1 650 66 66 ALA CB C 15.042 0.2 1 651 66 66 ALA N N 122.791 0.2 1 652 67 67 LYS H H 8.176 0.001 1 653 67 67 LYS HA H 3.816 0.001 1 654 67 67 LYS HB2 H 2.152 0.001 2 655 67 67 LYS HB3 H 1.792 0.001 2 656 67 67 LYS HG2 H 1.889 0.001 2 657 67 67 LYS HG3 H 1.314 0.001 2 658 67 67 LYS HD2 H 1.621 0.001 2 659 67 67 LYS HE2 H 2.827 0.001 2 660 67 67 LYS HE3 H 2.758 0.001 2 661 67 67 LYS C C 179.971 0.2 1 662 67 67 LYS CA C 57.762 0.2 1 663 67 67 LYS CB C 30.398 0.2 1 664 67 67 LYS CG C 23.409 0.2 1 665 67 67 LYS CD C 27.495 0.2 1 666 67 67 LYS CE C 39.602 0.2 1 667 67 67 LYS N N 117.405 0.2 1 668 68 68 ARG H H 8.149 0.001 1 669 68 68 ARG HA H 3.81 0.001 1 670 68 68 ARG HB2 H 1.888 0.001 2 671 68 68 ARG HG2 H 1.622 0.001 2 672 68 68 ARG HD2 H 3.087 0.001 2 673 68 68 ARG HD3 H 3.197 0.001 2 674 68 68 ARG C C 179.919 0.2 1 675 68 68 ARG CA C 56.167 0.2 1 676 68 68 ARG CB C 27.773 0.2 1 677 68 68 ARG CG C 25.695 0.2 1 678 68 68 ARG CD C 40.848 0.2 1 679 68 68 ARG N N 119.3 0.2 1 680 69 69 MET H H 8.603 0.001 1 681 69 69 MET HA H 3.734 0.001 1 682 69 69 MET HB2 H 1.789 0.001 2 683 69 69 MET HG2 H 3.132 0.001 2 684 69 69 MET HG3 H 1.985 0.001 2 685 69 69 MET C C 176.428 0.2 1 686 69 69 MET CA C 58.256 0.2 1 687 69 69 MET CB C 29.535 0.2 1 688 69 69 MET CG C 32.364 0.2 1 689 69 69 MET N N 119.935 0.2 1 690 70 70 LYS H H 7.343 0.001 1 691 70 70 LYS HA H 4.096 0.001 1 692 70 70 LYS HB2 H 1.814 0.001 2 693 70 70 LYS HG2 H 1.515 0.001 2 694 70 70 LYS HG3 H 1.42 0.001 2 695 70 70 LYS HD2 H 1.673 0.001 2 696 70 70 LYS HE2 H 3.012 0.001 2 697 70 70 LYS HE3 H 2.56 0.001 2 698 70 70 LYS C C 177.962 0.2 1 699 70 70 LYS CA C 54.198 0.2 1 700 70 70 LYS CB C 30.06 0.2 1 701 70 70 LYS CG C 22.561 0.2 1 702 70 70 LYS CD C 26.726 0.2 1 703 70 70 LYS CE C 39.415 0.2 1 704 70 70 LYS N N 116.958 0.2 1 705 71 71 VAL H H 7.122 0.001 1 706 71 71 VAL HA H 3.645 0.001 1 707 71 71 VAL HB H 2.135 0.001 1 708 71 71 VAL HG1 H 1.013 0.001 2 709 71 71 VAL HG2 H 0.896 0.001 2 710 71 71 VAL C C 178.215 0.2 1 711 71 71 VAL CA C 62.542 0.2 1 712 71 71 VAL CB C 29.285 0.2 1 713 71 71 VAL CG1 C 20.23 0.2 1 714 71 71 VAL CG2 C 18.722 0.2 1 715 71 71 VAL N N 117.827 0.2 1 716 72 72 ILE H H 7.195 0.001 1 717 72 72 ILE HA H 3.57 0.001 1 718 72 72 ILE HB H 1.761 0.001 1 719 72 72 ILE HG12 H 1.355 0.001 1 720 72 72 ILE HG2 H 0.766 0.001 1 721 72 72 ILE HD1 H 0.964 0.001 1 722 72 72 ILE C C 176.478 0.2 1 723 72 72 ILE CA C 62.059 0.2 1 724 72 72 ILE CB C 35.643 0.2 1 725 72 72 ILE CG1 C 27.595 0.2 1 726 72 72 ILE CG2 C 11.852 0.2 1 727 72 72 ILE CD1 C 15.22 0.2 1 728 72 72 ILE N N 121.297 0.2 1 729 73 73 ASP H H 8.01 0.001 1 730 73 73 ASP HA H 4.559 0.001 1 731 73 73 ASP HB2 H 2.668 0.001 2 732 73 73 ASP HB3 H 2.257 0.001 2 733 73 73 ASP C C 175.208 0.2 1 734 73 73 ASP CA C 50.217 0.2 1 735 73 73 ASP CB C 39.73 0.2 1 736 73 73 ASP N N 117.369 0.2 1 737 74 74 GLU H H 8.634 0.001 1 738 74 74 GLU HA H 4.373 0.001 1 739 74 74 GLU HB2 H 3.349 0.001 2 740 74 74 GLU HB3 H 2.162 0.001 2 741 74 74 GLU HG2 H 2.3 0.001 2 742 74 74 GLU HG3 H 2.151 0.001 2 743 74 74 GLU C C 177.084 0.2 1 744 74 74 GLU CA C 55.442 0.2 1 745 74 74 GLU CB C 27.21 0.2 1 746 74 74 GLU CG C 32.652 0.2 1 747 74 74 GLU N N 124.913 0.2 1 748 75 75 ASN H H 8.387 0.001 1 749 75 75 ASN HA H 4.747 0.001 1 750 75 75 ASN HB2 H 2.859 0.001 2 751 75 75 ASN HB3 H 2.759 0.001 2 752 75 75 ASN HD21 H 7.006 0.001 2 753 75 75 ASN HD22 H 7.907 0.001 2 754 75 75 ASN C C 175.484 0.2 1 755 75 75 ASN CA C 50.508 0.2 1 756 75 75 ASN CB C 37.103 0.2 1 757 75 75 ASN N N 116.718 0.2 1 758 75 75 ASN ND2 N 115.975 0.2 1 759 76 76 ILE H H 7.434 0.001 1 760 76 76 ILE HA H 3.869 0.001 1 761 76 76 ILE HB H 1.778 0.001 1 762 76 76 ILE HG12 H 1.446 0.001 1 763 76 76 ILE HG2 H 0.738 0.001 1 764 76 76 ILE HD1 H 1.029 0.001 1 765 76 76 ILE C C 174.063 0.2 1 766 76 76 ILE CA C 60.495 0.2 1 767 76 76 ILE CB C 36.482 0.2 1 768 76 76 ILE CG2 C 13.84 0.2 1 769 76 76 ILE N N 123.674 0.2 1 770 77 77 ARG H H 7.351 0.001 1 771 77 77 ARG HA H 4.45 0.001 1 772 77 77 ARG HB2 H 2.062 0.001 2 773 77 77 ARG HB3 H 1.26 0.001 2 774 77 77 ARG HG2 H 1.842 0.001 2 775 77 77 ARG HG3 H 1.522 0.001 2 776 77 77 ARG HD2 H 3.147 0.001 2 777 77 77 ARG HD3 H 2.966 0.001 2 778 77 77 ARG C C 174.76 0.2 1 779 77 77 ARG CA C 52.148 0.2 1 780 77 77 ARG CB C 29.739 0.2 1 781 77 77 ARG CG C 25.563 0.2 1 782 77 77 ARG CD C 41.242 0.2 1 783 77 77 ARG N N 126.421 0.2 1 784 78 78 VAL H H 8.573 0.001 1 785 78 78 VAL HA H 4.585 0.001 1 786 78 78 VAL HB H 1.758 0.001 1 787 78 78 VAL HG1 H 0.731 0.001 2 788 78 78 VAL HG2 H 0.701 0.001 2 789 78 78 VAL C C 174.435 0.2 1 790 78 78 VAL CA C 58.37 0.2 1 791 78 78 VAL CB C 32.876 0.2 1 792 78 78 VAL CG1 C 18.754 0.2 1 793 78 78 VAL N N 122.948 0.2 1 794 79 79 ILE H H 9.043 0.001 1 795 79 79 ILE HA H 4.231 0.001 1 796 79 79 ILE HB H 1.528 0.001 1 797 79 79 ILE HG2 H 0.406 0.001 1 798 79 79 ILE HD1 H 0.561 0.001 1 799 79 79 ILE CA C 58.079 0.2 1 800 79 79 ILE CB C 37.867 0.2 1 801 79 79 ILE N N 127.938 0.2 1 802 80 80 ILE HA H 4.996 0.001 1 803 80 80 ILE HB H 1.804 0.001 1 804 80 80 ILE HG12 H 1.472 0.001 1 805 80 80 ILE HG13 H 1.138 0.001 1 806 80 80 ILE HG2 H 0.869 0.001 1 807 80 80 ILE HD1 H 0.725 0.001 1 808 80 80 ILE CA C 56.402 0.2 1 809 80 80 ILE CB C 36.892 0.2 1 810 80 80 ILE CG2 C 16.089 0.2 1 811 80 80 ILE CD1 C 10.393 0.2 1 812 81 81 MET H H 8.688 0.001 1 813 81 81 MET HA H 5.739 0.001 1 814 81 81 MET HB2 H 1.894 0.001 2 815 81 81 MET HG2 H 2.447 0.001 2 816 81 81 MET HG3 H 2.259 0.001 2 817 81 81 MET C C 175.213 0.2 1 818 81 81 MET CA C 51.134 0.2 1 819 81 81 MET CB C 32.779 0.2 1 820 81 81 MET CG C 29.149 0.2 1 821 81 81 MET N N 123.393 0.2 1 822 82 82 THR H H 8.522 0.001 1 823 82 82 THR HA H 4.761 0.001 1 824 82 82 THR HB H 4.22 0.001 1 825 82 82 THR HG2 H 1.05 0.001 1 826 82 82 THR C C 172.97 0.2 1 827 82 82 THR CA C 57.129 0.2 1 828 82 82 THR CB C 67.988 0.2 1 829 82 82 THR CG2 C 18.437 0.2 1 830 82 82 THR N N 114.976 0.2 1 831 83 83 ALA H H 8.655 0.001 1 832 83 83 ALA HA H 4.634 0.001 1 833 83 83 ALA HB H 1.382 0.001 1 834 83 83 ALA CA C 48.935 0.2 1 835 83 83 ALA CB C 18.033 0.2 1 836 83 83 ALA N N 125.374 0.2 1 837 84 84 TYR H H 8.586 0.001 1 838 84 84 TYR HA H 4.251 0.001 1 839 84 84 TYR HB2 H 3.073 0.001 2 840 84 84 TYR HB3 H 2.987 0.001 2 841 84 84 TYR HD1 H 7.108 0.001 3 842 84 84 TYR C C 176.832 0.2 1 843 84 84 TYR CA C 57.134 0.2 1 844 84 84 TYR CB C 36.129 0.2 1 845 84 84 TYR N N 121.578 0.2 1 846 85 85 GLY H H 8.47 0.001 1 847 85 85 GLY HA2 H 3.904 0.001 2 848 85 85 GLY HA3 H 3.598 0.001 2 849 85 85 GLY C C 174.364 0.2 1 850 85 85 GLY CA C 42.591 0.2 1 851 85 85 GLY N N 112.639 0.2 1 852 86 86 GLU H H 7.852 0.001 1 853 86 86 GLU HA H 4.329 0.001 1 854 86 86 GLU HB2 H 2.203 0.001 2 855 86 86 GLU HB3 H 2.466 0.001 2 856 86 86 GLU HG2 H 2.189 0.001 2 857 86 86 GLU CA C 53.65 0.2 1 858 86 86 GLU CB C 27.431 0.2 1 859 86 86 GLU CG C 33.826 0.2 1 860 86 86 GLU N N 120.584 0.2 1 861 87 87 LEU H H 8.188 0.001 1 862 87 87 LEU HA H 4.175 0.001 1 863 87 87 LEU HB2 H 1.562 0.001 2 864 87 87 LEU HG H 1.285 0.001 1 865 87 87 LEU HD1 H 0.794 0.001 2 866 87 87 LEU HD2 H 0.736 0.001 2 867 87 87 LEU CA C 53.316 0.2 1 868 87 87 LEU CB C 39.73 0.2 1 869 87 87 LEU CG C 24.4 0.2 1 870 87 87 LEU CD1 C 22.365 0.2 1 871 87 87 LEU CD2 C 20.851 0.2 1 872 87 87 LEU N N 122.367 0.2 1 873 88 88 ASP H H 8.334 0.001 1 874 88 88 ASP HA H 4.385 0.001 1 875 88 88 ASP HB2 H 2.695 0.001 2 876 88 88 ASP HB3 H 2.562 0.001 2 877 88 88 ASP C C 177.011 0.2 1 878 88 88 ASP CA C 53.216 0.2 1 879 88 88 ASP CB C 38.28 0.2 1 880 88 88 ASP N N 120.128 0.2 1 881 89 89 MET H H 8.134 0.001 1 882 89 89 MET HA H 4.417 0.001 1 883 89 89 MET HB2 H 2.552 0.001 2 884 89 89 MET HB3 H 2.397 0.001 2 885 89 89 MET HG2 H 2.019 0.001 2 886 89 89 MET HG3 H 2.643 0.001 2 887 89 89 MET C C 177.427 0.2 1 888 89 89 MET CA C 54.126 0.2 1 889 89 89 MET CB C 29.419 0.2 1 890 89 89 MET N N 118.203 0.2 1 891 90 90 ILE H H 7.865 0.001 1 892 90 90 ILE HA H 3.636 0.001 1 893 90 90 ILE HB H 1.825 0.001 1 894 90 90 ILE HG12 H 1.351 0.001 1 895 90 90 ILE HG2 H 0.593 0.001 1 896 90 90 ILE CA C 60.96 0.2 1 897 90 90 ILE CB C 35.264 0.2 1 898 90 90 ILE CG1 C 25.969 0.2 1 899 90 90 ILE CG2 C 9.896 0.2 1 900 90 90 ILE CD1 C 14.498 0.2 1 901 90 90 ILE N N 121.497 0.2 1 902 91 91 GLN H H 8.33 0.001 1 903 91 91 GLN HA H 3.753 0.001 1 904 91 91 GLN HB2 H 1.926 0.001 2 905 91 91 GLN HG2 H 2.36 0.001 2 906 91 91 GLN C C 177.814 0.2 1 907 91 91 GLN CA C 55.391 0.2 1 908 91 91 GLN CB C 25.619 0.2 1 909 91 91 GLN CG C 27.511 0.2 1 910 91 91 GLN N N 122.262 0.2 1 911 92 92 GLU H H 8.596 0.001 1 912 92 92 GLU HA H 4.092 0.001 1 913 92 92 GLU HB2 H 1.932 0.001 2 914 92 92 GLU HG2 H 2.291 0.001 2 915 92 92 GLU C C 178.177 0.2 1 916 92 92 GLU CA C 56.025 0.2 1 917 92 92 GLU CB C 27.139 0.2 1 918 92 92 GLU CG C 34.1 0.2 1 919 92 92 GLU N N 120.166 0.2 1 920 93 93 SER H H 8.037 0.001 1 921 93 93 SER HA H 4.367 0.001 1 922 93 93 SER HB2 H 3.825 0.001 2 923 93 93 SER CA C 57.705 0.2 1 924 93 93 SER CB C 60.789 0.2 1 925 93 93 SER N N 115.182 0.2 1 926 94 94 LYS H H 8.068 0.001 1 927 94 94 LYS HA H 4.146 0.001 1 928 94 94 LYS HB2 H 1.903 0.001 2 929 94 94 LYS HG2 H 1.498 0.001 2 930 94 94 LYS HD2 H 1.653 0.001 2 931 94 94 LYS HE2 H 2.937 0.001 2 932 94 94 LYS CA C 56.347 0.2 1 933 94 94 LYS CB C 29.351 0.2 1 934 94 94 LYS CG C 22.37 0.2 1 935 94 94 LYS CD C 26.495 0.2 1 936 94 94 LYS CE C 39.504 0.2 1 937 94 94 LYS N N 124.817 0.2 1 938 95 95 GLU H H 8.182 0.001 1 939 95 95 GLU HA H 4.116 0.001 1 940 95 95 GLU HB2 H 2.076 0.001 2 941 95 95 GLU HG2 H 2.295 0.001 2 942 95 95 GLU C C 177.713 0.2 1 943 95 95 GLU CA C 55.756 0.2 1 944 95 95 GLU CB C 27.164 0.2 1 945 95 95 GLU CG C 33.706 0.2 1 946 95 95 GLU N N 119.914 0.2 1 947 96 96 LEU H H 7.597 0.001 1 948 96 96 LEU HA H 4.23 0.001 1 949 96 96 LEU HB2 H 1.741 0.001 2 950 96 96 LEU HB3 H 1.55 0.001 2 951 96 96 LEU HG H 0.791 0.001 1 952 96 96 LEU HD1 H 0.793 0.001 2 953 96 96 LEU HD2 H 0.793 0.001 2 954 96 96 LEU C C 177.185 0.2 1 955 96 96 LEU CA C 52.59 0.2 1 956 96 96 LEU CB C 40.275 0.2 1 957 96 96 LEU CG C 24.079 0.2 1 958 96 96 LEU CD1 C 23.087 0.2 1 959 96 96 LEU CD2 C 22.14 0.2 1 960 96 96 LEU N N 117.61 0.2 1 961 97 97 GLY H H 7.774 0.001 1 962 97 97 GLY HA2 H 3.797 0.001 2 963 97 97 GLY HA3 H 4.02 0.001 2 964 97 97 GLY C C 175.049 0.2 1 965 97 97 GLY CA C 42.925 0.2 1 966 97 97 GLY N N 106.797 0.2 1 967 98 98 ALA H H 8.029 0.001 1 968 98 98 ALA HA H 4.282 0.001 1 969 98 98 ALA HB H 1.212 0.001 1 970 98 98 ALA C C 177.786 0.2 1 971 98 98 ALA CA C 49.534 0.2 1 972 98 98 ALA CB C 16.742 0.2 1 973 98 98 ALA N N 123.181 0.2 1 974 99 99 LEU H H 8.651 0.001 1 975 99 99 LEU HA H 4.012 0.001 1 976 99 99 LEU HB2 H 0.979 0.001 2 977 99 99 LEU HB3 H 1.202 0.001 2 978 99 99 LEU HG H 1.466 0.001 1 979 99 99 LEU HD1 H 0.519 0.001 2 980 99 99 LEU HD2 H 0.61 0.001 2 981 99 99 LEU CA C 53.017 0.2 1 982 99 99 LEU CB C 40.07 0.2 1 983 99 99 LEU CG C 24.444 0.2 1 984 99 99 LEU CD1 C 21.943 0.2 1 985 99 99 LEU CD2 C 20.694 0.2 1 986 99 99 LEU N N 122.768 0.2 1 987 100 100 THR H H 6.617 0.001 1 988 100 100 THR HA H 4.351 0.001 1 989 100 100 THR HB H 3.847 0.001 1 990 100 100 THR HG2 H 0.806 0.001 1 991 100 100 THR CA C 57.587 0.2 1 992 100 100 THR CB C 69.395 0.2 1 993 101 101 HIS H H 8.078 0.001 1 994 101 101 HIS HA H 5.644 0.001 1 995 101 101 HIS HB2 H 2.779 0.001 2 996 101 101 HIS CA C 50.986 0.2 1 997 101 101 HIS CB C 31.416 0.2 1 998 101 101 HIS N N 120.235 0.2 1 999 102 102 PHE H H 8.724 0.001 1 1000 102 102 PHE HA H 4.784 0.001 1 1001 102 102 PHE HB2 H 2.558 0.001 2 1002 102 102 PHE HB3 H 2.986 0.001 2 1003 102 102 PHE HD1 H 6.775 0.001 3 1004 102 102 PHE HE1 H 7.049 0.001 3 1005 102 102 PHE C C 174.13 0.2 1 1006 102 102 PHE CA C 53.269 0.2 1 1007 102 102 PHE CB C 40.404 0.2 1 1008 102 102 PHE N N 119.982 0.2 1 1009 103 103 ALA H H 8.529 0.001 1 1010 103 103 ALA HA H 4.918 0.001 1 1011 103 103 ALA HB H 1.285 0.001 1 1012 103 103 ALA CA C 47.796 0.2 1 1013 103 103 ALA CB C 17.727 0.2 1 1014 103 103 ALA N N 125.569 0.2 1 1015 104 104 LYS H H 8.302 0.001 1 1016 104 104 LYS HA H 4.06 0.001 1 1017 104 104 LYS HB2 H 1.729 0.001 2 1018 104 104 LYS HG2 H 1.295 0.001 2 1019 104 104 LYS HD2 H 1.431 0.001 2 1020 104 104 LYS HE2 H 2.912 0.001 2 1021 104 104 LYS CA C 51.35 0.2 1 1022 104 104 LYS CB C 31.362 0.2 1 1023 104 104 LYS N N 120.337 0.2 1 1024 105 105 PRO HA H 4.28 0.001 1 1025 105 105 PRO HB2 H 2.226 0.001 2 1026 105 105 PRO HG2 H 1.916 0.001 2 1027 105 105 PRO HG3 H 1.84 0.001 2 1028 105 105 PRO HD2 H 3.377 0.001 2 1029 105 105 PRO HD3 H 3.656 0.001 2 1030 105 105 PRO C C 175.557 0.2 1 1031 105 105 PRO CA C 59.152 0.2 1 1032 105 105 PRO CB C 31.431 0.2 1 1033 105 105 PRO CG C 22.38 0.2 1 1034 105 105 PRO CD C 47.893 0.2 1 1035 106 106 PHE H H 7.641 0.001 1 1036 106 106 PHE HA H 5.048 0.001 1 1037 106 106 PHE HB2 H 3.141 0.001 2 1038 106 106 PHE HB3 H 3.068 0.001 2 1039 106 106 PHE HD1 H 6.942 0.001 3 1040 106 106 PHE C C 175.998 0.2 1 1041 106 106 PHE CA C 51.512 0.2 1 1042 106 106 PHE CB C 37.754 0.2 1 1043 106 106 PHE N N 119.352 0.2 1 1044 107 107 ASP H H 9.166 0.001 1 1045 107 107 ASP HA H 4.856 0.001 1 1046 107 107 ASP HB2 H 2.941 0.001 2 1047 107 107 ASP HB3 H 2.615 0.001 2 1048 107 107 ASP C C 176.985 0.2 1 1049 107 107 ASP CA C 49.887 0.2 1 1050 107 107 ASP CB C 39.913 0.2 1 1051 107 107 ASP N N 122.642 0.2 1 1052 108 108 ILE H H 8.753 0.001 1 1053 108 108 ILE HA H 3.722 0.001 1 1054 108 108 ILE HB H 1.908 0.001 1 1055 108 108 ILE HG12 H 1.368 0.001 1 1056 108 108 ILE HG2 H 0.845 0.001 1 1057 108 108 ILE HD1 H 0.761 0.001 1 1058 108 108 ILE C C 176.156 0.2 1 1059 108 108 ILE CA C 60.058 0.2 1 1060 108 108 ILE CB C 35.315 0.2 1 1061 108 108 ILE CG1 C 25.999 0.2 1 1062 108 108 ILE CG2 C 15.502 0.2 1 1063 108 108 ILE CD1 C 10.361 0.2 1 1064 108 108 ILE N N 126.735 0.2 1 1065 109 109 ASP H H 7.995 0.001 1 1066 109 109 ASP HA H 4.278 0.001 1 1067 109 109 ASP HB2 H 2.635 0.001 2 1068 109 109 ASP HB3 H 2.707 0.001 2 1069 109 109 ASP CA C 54.94 0.2 1 1070 109 109 ASP CB C 37.977 0.2 1 1071 109 109 ASP N N 121.282 0.2 1 1072 110 110 GLU H H 7.703 0.001 1 1073 110 110 GLU HA H 4.07 0.001 1 1074 110 110 GLU HB2 H 2.254 0.001 2 1075 110 110 GLU HG2 H 2.43 0.001 2 1076 110 110 GLU HG3 H 2.223 0.001 2 1077 110 110 GLU C C 179.904 0.2 1 1078 110 110 GLU CA C 56.416 0.2 1 1079 110 110 GLU CB C 27.441 0.2 1 1080 110 110 GLU CG C 34.043 0.2 1 1081 110 110 GLU N N 120.376 0.2 1 1082 111 111 ILE H H 7.576 0.001 1 1083 111 111 ILE HA H 3.324 0.001 1 1084 111 111 ILE HB H 1.234 0.001 1 1085 111 111 ILE HG12 H 0.377 0.001 1 1086 111 111 ILE HG13 H 0.204 0.001 1 1087 111 111 ILE HG2 H 0.457 0.001 1 1088 111 111 ILE HD1 H -0.305 0.001 1 1089 111 111 ILE C C 177.02 0.2 1 1090 111 111 ILE CA C 61.013 0.2 1 1091 111 111 ILE CB C 34.619 0.2 1 1092 111 111 ILE CG1 C 25.421 0.2 1 1093 111 111 ILE CG2 C 14.379 0.2 1 1094 111 111 ILE CD1 C 9.119 0.2 1 1095 111 111 ILE N N 119.999 0.2 1 1096 112 112 ARG H H 8.211 0.001 1 1097 112 112 ARG HA H 3.841 0.001 1 1098 112 112 ARG HB2 H 2.033 0.001 2 1099 112 112 ARG HG2 H 1.672 0.001 2 1100 112 112 ARG HG3 H 1.366 0.001 2 1101 112 112 ARG HD2 H 3.224 0.001 2 1102 112 112 ARG HD3 H 3.088 0.001 2 1103 112 112 ARG CA C 57.326 0.2 1 1104 112 112 ARG CB C 27.765 0.2 1 1105 112 112 ARG CG C 24.653 0.2 1 1106 112 112 ARG CD C 40.862 0.2 1 1107 112 112 ARG N N 121.949 0.2 1 1108 113 113 ASP H H 7.982 0.001 1 1109 113 113 ASP HA H 4.326 0.001 1 1110 113 113 ASP HB2 H 2.734 0.001 2 1111 113 113 ASP HB3 H 2.569 0.001 2 1112 113 113 ASP C C 178.653 0.2 1 1113 113 113 ASP CA C 54.756 0.2 1 1114 113 113 ASP CB C 37.65 0.2 1 1115 113 113 ASP N N 118.068 0.2 1 1116 114 114 ALA H H 7.98 0.001 1 1117 114 114 ALA HA H 4.061 0.001 1 1118 114 114 ALA HB H 1.642 0.001 1 1119 114 114 ALA C C 179.617 0.2 1 1120 114 114 ALA CA C 52.336 0.2 1 1121 114 114 ALA CB C 16.382 0.2 1 1122 114 114 ALA N N 122.762 0.2 1 1123 115 115 VAL H H 8.239 0.001 1 1124 115 115 VAL HA H 3.339 0.001 1 1125 115 115 VAL HB H 2.047 0.001 1 1126 115 115 VAL HG1 H 0.229 0.001 2 1127 115 115 VAL HG2 H 0.77 0.001 2 1128 115 115 VAL C C 176.877 0.2 1 1129 115 115 VAL CA C 65.119 0.2 1 1130 115 115 VAL CB C 28.791 0.2 1 1131 115 115 VAL CG1 C 18.446 0.2 1 1132 115 115 VAL CG2 C 21.024 0.2 1 1133 115 115 VAL N N 118.286 0.2 1 1134 116 116 LYS H H 7.878 0.001 1 1135 116 116 LYS HA H 4.025 0.001 1 1136 116 116 LYS HB2 H 1.722 0.001 2 1137 116 116 LYS HG2 H 1.917 0.001 2 1138 116 116 LYS HD2 H 1.651 0.001 2 1139 116 116 LYS HE2 H 2.979 0.001 2 1140 116 116 LYS C C 178.407 0.2 1 1141 116 116 LYS CA C 56.914 0.2 1 1142 116 116 LYS CB C 29.77 0.2 1 1143 116 116 LYS CG C 22.924 0.2 1 1144 116 116 LYS CD C 27.022 0.2 1 1145 116 116 LYS CE C 39.196 0.2 1 1146 116 116 LYS N N 117.198 0.2 1 1147 117 117 LYS H H 7.305 0.001 1 1148 117 117 LYS HA H 3.933 0.001 1 1149 117 117 LYS HB2 H 1.661 0.001 2 1150 117 117 LYS HG2 H 0.948 0.001 2 1151 117 117 LYS HG3 H 1.273 0.001 2 1152 117 117 LYS HD2 H 1.437 0.001 2 1153 117 117 LYS HD3 H 1.312 0.001 2 1154 117 117 LYS HE2 H 2.701 0.001 2 1155 117 117 LYS HE3 H 2.663 0.001 2 1156 117 117 LYS C C 178.493 0.2 1 1157 117 117 LYS CA C 55.697 0.2 1 1158 117 117 LYS CB C 30.017 0.2 1 1159 117 117 LYS CG C 22.329 0.2 1 1160 117 117 LYS CD C 26.663 0.2 1 1161 117 117 LYS CE C 39.5 0.2 1 1162 117 117 LYS N N 117.531 0.2 1 1163 118 118 TYR H H 7.821 0.001 1 1164 118 118 TYR HA H 4.505 0.001 1 1165 118 118 TYR HB2 H 2.583 0.001 2 1166 118 118 TYR HB3 H 3.037 0.001 2 1167 118 118 TYR HD1 H 7.035 0.001 3 1168 118 118 TYR HE1 H 6.719 0.001 3 1169 118 118 TYR C C 175.711 0.2 1 1170 118 118 TYR CA C 56.725 0.2 1 1171 118 118 TYR CB C 36.833 0.2 1 1172 118 118 TYR N N 117.383 0.2 1 1173 119 119 LEU H H 8.552 0.001 1 1174 119 119 LEU HA H 4.28 0.001 1 1175 119 119 LEU HB2 H 1.57 0.001 2 1176 119 119 LEU HB3 H 1.728 0.001 2 1177 119 119 LEU HD1 H 0.689 0.001 2 1178 119 119 LEU HD2 H 0.826 0.001 2 1179 119 119 LEU CA C 49.209 0.2 1 1180 119 119 LEU CB C 40.873 0.2 1 1181 119 119 LEU N N 121.91 0.2 1 1182 120 120 PRO HA H 4.476 0.001 1 1183 120 120 PRO HB2 H 2.287 0.001 2 1184 120 120 PRO HB3 H 1.808 0.001 2 1185 120 120 PRO HG2 H 1.981 0.001 2 1186 120 120 PRO HD2 H 3.477 0.001 2 1187 120 120 PRO HD3 H 3.35 0.001 2 1188 120 120 PRO C C 177.407 0.2 1 1189 120 120 PRO CA C 60.725 0.2 1 1190 120 120 PRO CB C 29.468 0.2 1 1191 120 120 PRO CG C 25.06 0.2 1 1192 120 120 PRO CD C 47.125 0.2 1 1193 121 121 LEU H H 8.215 0.001 1 1194 121 121 LEU HA H 4.295 0.001 1 1195 121 121 LEU HB2 H 1.423 0.001 2 1196 121 121 LEU HB3 H 1.512 0.001 2 1197 121 121 LEU HD1 H 0.483 0.001 2 1198 121 121 LEU HD2 H 0.445 0.001 2 1199 121 121 LEU CA C 52.093 0.2 1 1200 121 121 LEU CB C 39.662 0.2 1 1201 121 121 LEU CG C 24.258 0.2 1 1202 121 121 LEU CD1 C 22.623 0.2 1 1203 121 121 LEU CD2 C 21.307 0.2 1 1204 121 121 LEU N N 124.086 0.2 1 1205 122 122 LYS H H 8.603 0.001 1 1206 122 122 LYS HA H 4.214 0.001 1 1207 122 122 LYS HB2 H 1.798 0.001 2 1208 122 122 LYS HG2 H 1.416 0.001 2 1209 122 122 LYS HD2 H 1.658 0.001 2 1210 122 122 LYS HE2 H 2.978 0.001 2 1211 122 122 LYS C C 177.25 0.2 1 1212 122 122 LYS CA C 54.388 0.2 1 1213 122 122 LYS CB C 30.277 0.2 1 1214 122 122 LYS CG C 22.292 0.2 1 1215 122 122 LYS CD C 26.431 0.2 1 1216 122 122 LYS CE C 39.384 0.2 1 1217 122 122 LYS N N 124.489 0.2 1 1218 123 123 SER H H 8.587 0.001 1 1219 123 123 SER HA H 4.33 0.001 1 1220 123 123 SER HB2 H 3.87 0.001 2 1221 123 123 SER CA C 56.139 0.2 1 1222 123 123 SER CB C 61.289 0.2 1 1223 123 123 SER N N 116.501 0.2 1 1224 124 124 ASN H H 8.087 0.001 1 1225 124 124 ASN N N 123.73 0.2 1 1226 125 125 LEU HA H 4.282 0.001 1 1227 125 125 LEU HB2 H 1.581 0.001 2 1228 125 125 LEU HD1 H 0.463 0.001 2 1229 125 125 LEU HD2 H 0.862 0.001 2 1230 125 125 LEU CA C 52.826 0.2 1 1231 125 125 LEU CB C 39.514 0.2 1 1232 125 125 LEU CG C 24.383 0.2 1 1233 125 125 LEU CD1 C 22.528 0.2 1 1234 125 125 LEU CD2 C 20.633 0.2 1 1235 126 126 GLU H H 8.179 0.001 1 1236 126 126 GLU CA C 54.376 0.2 1 1237 126 126 GLU CB C 27.476 0.2 1 1238 126 126 GLU N N 119.901 0.2 1 1239 131 131 HIS HA H 4.574 0.001 1 1240 131 131 HIS HB2 H 3.062 0.001 2 1241 131 131 HIS CA C 53.376 0.2 1 1242 131 131 HIS CB C 27.867 0.2 1 1243 132 132 HIS H H 7.916 0.001 1 1244 132 132 HIS HA H 4.366 0.001 1 1245 132 132 HIS HB2 H 3.009 0.001 2 1246 132 132 HIS HB3 H 3.161 0.001 2 1247 132 132 HIS CA C 54.708 0.2 1 1248 132 132 HIS CB C 27.867 0.2 1 1249 132 132 HIS N N 126.049 0.2 1 stop_ save_