data_11423 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal domain of the FliK ; _BMRB_accession_number 11423 _BMRB_flat_file_name bmr11423.str _Entry_type original _Submission_date 2011-01-01 _Accession_date 2011-01-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mizuno Shino . . 2 Tate Shin-ichi . . 3 Kobayashi Naohiro . . 4 Amida Hirokazu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 892 "13C chemical shifts" 669 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-22 original author . stop_ _Original_release_date 2011-06-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The NMR Structure of FliK, the Trigger for the Switch of Substrate Specificity in the Flagellar Type III Secretion Apparatus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21510958 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mizuno Shino . . 2 Amida Hirokazu . . 3 Kobayashi Naohiro . . 4 Aizawa Shin-ichi . . 5 Tate Shin-ichi . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 409 _Journal_issue 4 _Journal_ASTM JMOBAK _Journal_ISSN 1089-8638 _Journal_CSD 0070 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 558 _Page_last 573 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Flagellar hook-length control protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UNP residues 204-370' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'UNP residues 204-370' _Molecular_mass 17773.945 _Mol_thiol_state 'not present' _Details 'substrate specificity switch (T3S4) domain' ############################## # Polymer residue sequence # ############################## _Residue_count 169 _Mol_residue_sequence ; HMASDDRATGPALTPLVVAA AATSAKVEVDSPPAPVTHGA AMPTLSSATAQPLPVASAPV LSAPLGSHEWQQTFSQQVML FTRQGQQSAQLRLHPEELGQ VHISLKLDDNQAQLQMVSPH SHVRAALEAALPMLRTQLAE SGIQLGQSSISSESFAGQQQ SSSQQQSSR ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 MET 3 ALA 4 SER 5 ASP 6 ASP 7 ARG 8 ALA 9 THR 10 GLY 11 PRO 12 ALA 13 LEU 14 THR 15 PRO 16 LEU 17 VAL 18 VAL 19 ALA 20 ALA 21 ALA 22 ALA 23 THR 24 SER 25 ALA 26 LYS 27 VAL 28 GLU 29 VAL 30 ASP 31 SER 32 PRO 33 PRO 34 ALA 35 PRO 36 VAL 37 THR 38 HIS 39 GLY 40 ALA 41 ALA 42 MET 43 PRO 44 THR 45 LEU 46 SER 47 SER 48 ALA 49 THR 50 ALA 51 GLN 52 PRO 53 LEU 54 PRO 55 VAL 56 ALA 57 SER 58 ALA 59 PRO 60 VAL 61 LEU 62 SER 63 ALA 64 PRO 65 LEU 66 GLY 67 SER 68 HIS 69 GLU 70 TRP 71 GLN 72 GLN 73 THR 74 PHE 75 SER 76 GLN 77 GLN 78 VAL 79 MET 80 LEU 81 PHE 82 THR 83 ARG 84 GLN 85 GLY 86 GLN 87 GLN 88 SER 89 ALA 90 GLN 91 LEU 92 ARG 93 LEU 94 HIS 95 PRO 96 GLU 97 GLU 98 LEU 99 GLY 100 GLN 101 VAL 102 HIS 103 ILE 104 SER 105 LEU 106 LYS 107 LEU 108 ASP 109 ASP 110 ASN 111 GLN 112 ALA 113 GLN 114 LEU 115 GLN 116 MET 117 VAL 118 SER 119 PRO 120 HIS 121 SER 122 HIS 123 VAL 124 ARG 125 ALA 126 ALA 127 LEU 128 GLU 129 ALA 130 ALA 131 LEU 132 PRO 133 MET 134 LEU 135 ARG 136 THR 137 GLN 138 LEU 139 ALA 140 GLU 141 SER 142 GLY 143 ILE 144 GLN 145 LEU 146 GLY 147 GLN 148 SER 149 SER 150 ILE 151 SER 152 SER 153 GLU 154 SER 155 PHE 156 ALA 157 GLY 158 GLN 159 GLN 160 GLN 161 SER 162 SER 163 SER 164 GLN 165 GLN 166 GLN 167 SER 168 SER 169 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2RRL "Solution Structure Of The C-Terminal Domain Of The Flik" 100.00 169 100.00 100.00 1.75e-111 DBJ BAJ36938 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 98.82 405 100.00 100.00 1.71e-107 DBJ BAP07852 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 98.82 405 100.00 100.00 1.71e-107 EMBL CAR32619 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" 98.82 405 98.80 99.40 2.24e-106 EMBL CAR36966 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" 98.82 405 98.80 99.40 2.24e-106 EMBL CAR58977 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" 100.00 407 98.82 98.82 1.20e-105 EMBL CBG24963 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" 98.82 405 100.00 100.00 1.71e-107 EMBL CBW17998 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" 98.82 405 100.00 100.00 1.71e-107 GB AAD15264 "fliK [Salmonella enterica subsp. enterica serovar Typhimurium]" 98.82 405 100.00 100.00 1.71e-107 GB AAL20886 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 98.82 405 100.00 100.00 1.71e-107 GB AAV76876 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" 100.00 407 98.82 98.82 1.20e-105 GB AAX65885 "flagellar hook-length control protein [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" 98.82 405 98.20 98.80 9.79e-105 GB ABX66589 "hypothetical protein SPAB_01174 [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" 100.00 407 98.82 98.82 1.70e-105 REF NP_460927 "flagellar hook-length control protein FliK [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 98.82 405 100.00 100.00 1.71e-107 REF WP_000631654 "flagellar hook-length control protein [Salmonella enterica]" 100.00 407 98.22 98.22 8.29e-105 REF WP_000631655 "flagellar hook-length control protein [Salmonella enterica]" 97.63 408 96.97 97.58 9.76e-100 REF WP_000631658 "flagellar hook-length control protein [Salmonella enterica]" 98.82 405 99.40 100.00 9.73e-107 REF WP_000631665 "flagellar hook-length control protein [Salmonella enterica]" 100.00 407 98.82 98.82 1.70e-105 SP P26416 "RecName: Full=Flagellar hook-length control protein" 98.82 405 100.00 100.00 1.71e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Salmonella typhimurium' 90371 Bacteria . Salmonella enterica stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' 'E. coli' Escherichia coli . pCold-I stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_MagRO _Saveframe_category software _Name MagRO _Version . loop_ _Vendor _Address _Electronic_address 'Naohiro Kobayashi' . . stop_ loop_ _Task 'NMR data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Bruce A. Johnson' . . stop_ loop_ _Task 'NMR data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCANNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCANNH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_dec_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C dec NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_3 save_ save_3D_HNHA_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.4 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCACO' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCANNH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-13C dec NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'UNP residues 204-370' _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 4.450 0.030 1 2 2 2 MET HB2 H 2.035 0.030 2 3 2 2 MET HB3 H 1.942 0.030 2 4 2 2 MET HG2 H 2.514 0.030 2 5 2 2 MET HG3 H 2.495 0.030 2 6 2 2 MET C C 175.558 0.300 1 7 2 2 MET CA C 55.380 0.300 1 8 2 2 MET CB C 33.256 0.300 1 9 2 2 MET CG C 31.846 0.300 1 10 3 3 ALA H H 8.552 0.030 1 11 3 3 ALA HA H 4.309 0.030 1 12 3 3 ALA HB H 1.385 0.030 1 13 3 3 ALA C C 177.779 0.300 1 14 3 3 ALA CA C 52.747 0.300 1 15 3 3 ALA CB C 19.243 0.300 1 16 3 3 ALA N N 126.256 0.300 1 17 4 4 SER H H 8.204 0.030 1 18 4 4 SER HA H 4.372 0.030 1 19 4 4 SER HB2 H 3.797 0.030 2 20 4 4 SER HB3 H 3.871 0.030 2 21 4 4 SER C C 174.327 0.300 1 22 4 4 SER CA C 58.432 0.300 1 23 4 4 SER CB C 63.864 0.300 1 24 4 4 SER N N 114.565 0.300 1 25 5 5 ASP H H 8.224 0.030 1 26 5 5 ASP HA H 4.596 0.030 1 27 5 5 ASP HB2 H 2.624 0.030 2 28 5 5 ASP HB3 H 2.682 0.030 2 29 5 5 ASP C C 176.027 0.300 1 30 5 5 ASP CA C 54.334 0.300 1 31 5 5 ASP CB C 41.215 0.300 1 32 5 5 ASP N N 122.073 0.300 1 33 6 6 ASP H H 8.176 0.030 1 34 6 6 ASP HA H 4.531 0.030 1 35 6 6 ASP HB2 H 2.644 0.030 1 36 6 6 ASP HB3 H 2.644 0.030 1 37 6 6 ASP C C 176.453 0.300 1 38 6 6 ASP CA C 54.590 0.300 1 39 6 6 ASP CB C 40.955 0.300 1 40 6 6 ASP N N 121.078 0.300 1 41 7 7 ARG H H 8.135 0.030 1 42 7 7 ARG HA H 4.281 0.030 1 43 7 7 ARG HB2 H 1.847 0.030 2 44 7 7 ARG HB3 H 1.770 0.030 2 45 7 7 ARG HG2 H 1.602 0.030 1 46 7 7 ARG HG3 H 1.602 0.030 1 47 7 7 ARG HD2 H 3.162 0.030 1 48 7 7 ARG HD3 H 3.162 0.030 1 49 7 7 ARG C C 175.668 0.300 1 50 7 7 ARG CA C 56.182 0.300 1 51 7 7 ARG CB C 30.557 0.300 1 52 7 7 ARG CG C 26.921 0.300 1 53 7 7 ARG CD C 43.393 0.300 1 54 7 7 ARG N N 120.656 0.300 1 55 8 8 ALA H H 8.197 0.030 1 56 8 8 ALA HA H 4.342 0.030 1 57 8 8 ALA HB H 1.380 0.030 1 58 8 8 ALA C C 177.957 0.300 1 59 8 8 ALA CA C 52.727 0.300 1 60 8 8 ALA CB C 18.929 0.300 1 61 8 8 ALA N N 124.433 0.300 1 62 9 9 THR H H 7.999 0.030 1 63 9 9 THR HA H 4.331 0.030 1 64 9 9 THR HB H 4.184 0.030 1 65 9 9 THR HG2 H 1.180 0.030 1 66 9 9 THR C C 174.775 0.300 1 67 9 9 THR CA C 61.667 0.300 1 68 9 9 THR CB C 70.153 0.300 1 69 9 9 THR CG2 C 21.662 0.300 1 70 9 9 THR N N 112.333 0.300 1 71 10 10 GLY H H 8.103 0.030 1 72 10 10 GLY HA2 H 4.063 0.030 2 73 10 10 GLY HA3 H 4.109 0.030 2 74 10 10 GLY C C 171.714 0.300 1 75 10 10 GLY CA C 44.690 0.300 1 76 10 10 GLY N N 128.539 0.300 1 77 11 11 PRO HA H 4.382 0.030 1 78 11 11 PRO HB2 H 2.232 0.030 2 79 11 11 PRO HB3 H 1.853 0.030 2 80 11 11 PRO HG2 H 1.977 0.030 1 81 11 11 PRO HG3 H 1.977 0.030 1 82 11 11 PRO HD2 H 3.592 0.030 1 83 11 11 PRO HD3 H 3.592 0.030 1 84 11 11 PRO C C 176.657 0.300 1 85 11 11 PRO CA C 63.081 0.300 1 86 11 11 PRO CB C 32.003 0.300 1 87 11 11 PRO CG C 26.998 0.300 1 88 11 11 PRO CD C 49.773 0.300 1 89 12 12 ALA H H 8.264 0.030 1 90 12 12 ALA HA H 4.255 0.030 1 91 12 12 ALA HB H 1.344 0.030 1 92 12 12 ALA C C 177.602 0.300 1 93 12 12 ALA CA C 52.353 0.300 1 94 12 12 ALA CB C 18.835 0.300 1 95 12 12 ALA N N 123.844 0.300 1 96 13 13 LEU H H 8.150 0.030 1 97 13 13 LEU HA H 4.336 0.030 1 98 13 13 LEU HB2 H 1.545 0.030 2 99 13 13 LEU HB3 H 1.592 0.030 2 100 13 13 LEU HG H 1.588 0.030 1 101 13 13 LEU HD1 H 0.881 0.030 1 102 13 13 LEU HD2 H 0.830 0.030 1 103 13 13 LEU C C 177.206 0.300 1 104 13 13 LEU CA C 55.022 0.300 1 105 13 13 LEU CB C 42.416 0.300 1 106 13 13 LEU CG C 27.227 0.300 1 107 13 13 LEU CD1 C 25.199 0.300 2 108 13 13 LEU CD2 C 23.446 0.300 2 109 13 13 LEU N N 121.575 0.300 1 110 14 14 THR H H 7.991 0.030 1 111 14 14 THR HA H 4.559 0.030 1 112 14 14 THR HB H 4.129 0.030 1 113 14 14 THR HG2 H 1.195 0.030 1 114 14 14 THR C C 172.683 0.300 1 115 14 14 THR CA C 59.614 0.300 1 116 14 14 THR CB C 69.854 0.300 1 117 14 14 THR N N 117.054 0.300 1 118 15 15 PRO HA H 4.352 0.030 1 119 15 15 PRO HB2 H 1.836 0.030 2 120 15 15 PRO HB3 H 2.250 0.030 2 121 15 15 PRO HG2 H 1.979 0.030 1 122 15 15 PRO HG3 H 1.979 0.030 1 123 15 15 PRO HD2 H 3.783 0.030 2 124 15 15 PRO HD3 H 3.673 0.030 2 125 15 15 PRO C C 172.683 0.300 1 126 15 15 PRO CA C 63.237 0.300 1 127 15 15 PRO CB C 32.082 0.300 1 128 15 15 PRO CG C 27.384 0.300 1 129 15 15 PRO CD C 51.033 0.300 1 130 16 16 LEU H H 8.172 0.030 1 131 16 16 LEU HA H 4.285 0.030 1 132 16 16 LEU HB2 H 1.517 0.030 2 133 16 16 LEU HB3 H 1.595 0.030 2 134 16 16 LEU HG H 1.586 0.030 1 135 16 16 LEU HD1 H 0.892 0.030 1 136 16 16 LEU HD2 H 0.841 0.030 1 137 16 16 LEU C C 177.270 0.300 1 138 16 16 LEU CA C 55.416 0.300 1 139 16 16 LEU CB C 42.426 0.300 1 140 16 16 LEU CG C 27.222 0.300 1 141 16 16 LEU CD1 C 24.697 0.300 1 142 16 16 LEU CD2 C 23.404 0.300 1 143 16 16 LEU N N 122.293 0.300 1 144 17 17 VAL H H 8.013 0.030 1 145 17 17 VAL HA H 4.054 0.030 1 146 17 17 VAL HB H 1.996 0.030 1 147 17 17 VAL HG1 H 0.897 0.030 1 148 17 17 VAL HG2 H 0.851 0.030 1 149 17 17 VAL C C 175.986 0.300 1 150 17 17 VAL CA C 62.483 0.300 1 151 17 17 VAL CB C 32.634 0.300 1 152 17 17 VAL CG1 C 21.121 0.300 2 153 17 17 VAL CG2 C 21.134 0.300 2 154 17 17 VAL N N 122.112 0.300 1 155 18 18 VAL H H 8.128 0.030 1 156 18 18 VAL HA H 4.025 0.030 1 157 18 18 VAL HB H 1.993 0.030 1 158 18 18 VAL HG1 H 0.900 0.030 1 159 18 18 VAL HG2 H 0.867 0.030 1 160 18 18 VAL C C 175.986 0.300 1 161 18 18 VAL CA C 62.178 0.300 1 162 18 18 VAL CB C 32.731 0.300 1 163 18 18 VAL CG1 C 21.249 0.300 2 164 18 18 VAL CG2 C 20.990 0.300 2 165 18 18 VAL N N 124.643 0.300 1 166 19 19 ALA H H 8.274 0.030 1 167 19 19 ALA HA H 4.245 0.030 1 168 19 19 ALA HB H 1.344 0.030 1 169 19 19 ALA C C 177.399 0.300 1 170 19 19 ALA CA C 52.453 0.300 1 171 19 19 ALA CB C 19.073 0.300 1 172 19 19 ALA N N 127.967 0.300 1 173 20 20 ALA H H 8.156 0.030 1 174 20 20 ALA HA H 4.226 0.030 1 175 20 20 ALA HB H 1.336 0.030 1 176 20 20 ALA C C 177.569 0.300 1 177 20 20 ALA CA C 52.387 0.300 1 178 20 20 ALA CB C 18.851 0.300 1 179 20 20 ALA N N 123.505 0.300 1 180 21 21 ALA H H 8.134 0.030 1 181 21 21 ALA HA H 4.233 0.030 1 182 21 21 ALA HB H 1.342 0.030 1 183 21 21 ALA C C 177.642 0.300 1 184 21 21 ALA CA C 52.354 0.300 1 185 21 21 ALA CB C 18.851 0.300 1 186 21 21 ALA N N 123.121 0.300 1 187 22 22 ALA H H 8.277 0.030 1 188 22 22 ALA HA H 4.504 0.030 1 189 22 22 ALA HB H 1.535 0.030 1 190 22 22 ALA C C 175.505 0.300 1 191 22 22 ALA CA C 53.418 0.300 1 192 22 22 ALA CB C 19.434 0.300 1 193 22 22 ALA N N 123.265 0.300 1 194 23 23 THR H H 8.017 0.030 1 195 23 23 THR HA H 4.335 0.030 1 196 23 23 THR HB H 4.230 0.030 1 197 23 23 THR HG2 H 1.181 0.030 1 198 23 23 THR C C 174.613 0.300 1 199 23 23 THR CA C 61.717 0.300 1 200 23 23 THR CB C 70.097 0.300 1 201 23 23 THR CG2 C 21.513 0.300 1 202 23 23 THR N N 112.710 0.300 1 203 24 24 SER H H 8.163 0.030 1 204 24 24 SER HA H 4.453 0.030 1 205 24 24 SER HB2 H 3.816 0.030 2 206 24 24 SER HB3 H 3.857 0.030 2 207 24 24 SER C C 174.164 0.300 1 208 24 24 SER CA C 58.202 0.300 1 209 24 24 SER CB C 64.255 0.300 1 210 24 24 SER N N 117.753 0.300 1 211 25 25 ALA H H 8.205 0.030 1 212 25 25 ALA HA H 4.287 0.030 1 213 25 25 ALA HB H 1.334 0.030 1 214 25 25 ALA C C 177.311 0.300 1 215 25 25 ALA CA C 52.420 0.300 1 216 25 25 ALA CB C 19.269 0.300 1 217 25 25 ALA N N 125.945 0.300 1 218 26 26 LYS H H 8.175 0.030 1 219 26 26 LYS HA H 4.289 0.030 1 220 26 26 LYS HB2 H 1.708 0.030 2 221 26 26 LYS HB3 H 1.769 0.030 2 222 26 26 LYS HG2 H 1.334 0.030 2 223 26 26 LYS HG3 H 1.383 0.030 2 224 26 26 LYS HD2 H 1.644 0.030 2 225 26 26 LYS HD3 H 1.603 0.030 2 226 26 26 LYS HE2 H 2.958 0.030 1 227 26 26 LYS HE3 H 2.958 0.030 1 228 26 26 LYS C C 176.453 0.030 1 229 26 26 LYS CA C 56.198 0.300 1 230 26 26 LYS CB C 33.111 0.300 1 231 26 26 LYS CG C 24.645 0.300 1 232 26 26 LYS CD C 29.126 0.300 1 233 26 26 LYS CE C 42.155 0.300 1 234 26 26 LYS N N 121.186 0.300 1 235 27 27 VAL H H 8.122 0.030 1 236 27 27 VAL HA H 4.087 0.030 1 237 27 27 VAL HB H 2.004 0.030 1 238 27 27 VAL HG1 H 0.889 0.030 1 239 27 27 VAL HG2 H 0.878 0.030 1 240 27 27 VAL C C 175.962 0.300 1 241 27 27 VAL CA C 62.178 0.300 1 242 27 27 VAL CB C 32.731 0.300 1 243 27 27 VAL CG1 C 20.925 0.300 1 244 27 27 VAL CG2 C 20.925 0.300 1 245 27 27 VAL N N 122.423 0.300 1 246 28 28 GLU H H 8.446 0.030 1 247 28 28 GLU HA H 4.343 0.030 1 248 28 28 GLU HB2 H 2.001 0.030 2 249 28 28 GLU HB3 H 1.869 0.030 2 250 28 28 GLU HG2 H 2.198 0.030 2 251 28 28 GLU HG3 H 2.236 0.030 2 252 28 28 GLU C C 176.285 0.300 1 253 28 28 GLU CA C 56.264 0.300 1 254 28 28 GLU CB C 30.395 0.300 1 255 28 28 GLU CG C 36.150 0.300 1 256 28 28 GLU N N 125.218 0.300 1 257 29 29 VAL H H 8.128 0.030 1 258 29 29 VAL HA H 4.096 0.030 1 259 29 29 VAL HB H 2.038 0.030 1 260 29 29 VAL HG1 H 0.892 0.030 1 261 29 29 VAL HG2 H 0.893 0.030 1 262 29 29 VAL C C 175.688 0.300 1 263 29 29 VAL CA C 62.190 0.300 1 264 29 29 VAL CB C 32.899 0.300 1 265 29 29 VAL CG1 C 20.477 0.300 1 266 29 29 VAL CG2 C 20.477 0.300 1 267 29 29 VAL N N 120.674 0.300 1 268 30 30 ASP H H 8.330 0.030 1 269 30 30 ASP HA H 4.596 0.030 1 270 30 30 ASP HB2 H 2.633 0.030 2 271 30 30 ASP HB3 H 2.557 0.030 2 272 30 30 ASP C C 175.688 0.300 1 273 30 30 ASP CA C 54.317 0.300 1 274 30 30 ASP CB C 41.278 0.300 1 275 30 30 ASP N N 123.676 0.300 1 276 31 31 SER H H 8.105 0.030 1 277 31 31 SER HA H 4.701 0.030 1 278 31 31 SER HB2 H 3.716 0.030 2 279 31 31 SER HB3 H 3.818 0.030 2 280 31 31 SER C C 175.815 0.300 1 281 31 31 SER CA C 56.329 0.300 1 282 31 31 SER CB C 63.831 0.300 1 283 31 31 SER N N 117.182 0.300 1 284 33 33 PRO HA H 4.367 0.030 1 285 33 33 PRO HB2 H 2.229 0.030 2 286 33 33 PRO HB3 H 1.849 0.030 2 287 33 33 PRO HG2 H 1.982 0.030 1 288 33 33 PRO HG3 H 1.982 0.030 1 289 33 33 PRO HD2 H 3.765 0.030 2 290 33 33 PRO HD3 H 3.602 0.030 2 291 33 33 PRO C C 176.240 0.300 1 292 33 33 PRO CA C 62.765 0.300 1 293 33 33 PRO CB C 31.924 0.300 1 294 33 33 PRO CG C 27.149 0.300 1 295 33 33 PRO CD C 50.399 0.300 1 296 34 34 ALA H H 8.238 0.030 1 297 34 34 ALA HA H 4.540 0.030 1 298 34 34 ALA HB H 1.308 0.030 1 299 34 34 ALA C C 175.586 0.300 1 300 34 34 ALA CA C 50.301 0.300 1 301 34 34 ALA CB C 18.094 0.300 1 302 34 34 ALA N N 125.383 0.300 1 303 35 35 PRO HA H 4.397 0.030 1 304 35 35 PRO HB2 H 1.806 0.030 2 305 35 35 PRO HB3 H 2.236 0.030 2 306 35 35 PRO HG2 H 1.984 0.030 1 307 35 35 PRO HG3 H 1.984 0.030 1 308 35 35 PRO HD2 H 3.783 0.030 2 309 35 35 PRO HD3 H 3.600 0.030 2 310 35 35 PRO C C 176.899 0.300 1 311 35 35 PRO CA C 63.080 0.300 1 312 35 35 PRO CB C 32.102 0.300 1 313 35 35 PRO CG C 27.385 0.300 1 314 35 35 PRO CD C 50.398 0.300 1 315 36 36 VAL H H 8.172 0.030 1 316 36 36 VAL HA H 4.105 0.030 1 317 36 36 VAL HB H 2.009 0.030 1 318 36 36 VAL HG1 H 0.871 0.030 1 319 36 36 VAL HG2 H 0.865 0.030 1 320 36 36 VAL C C 176.398 0.300 1 321 36 36 VAL CA C 62.334 0.300 1 322 36 36 VAL CB C 32.784 0.300 1 323 36 36 VAL CG1 C 20.858 0.300 2 324 36 36 VAL CG2 C 21.122 0.300 2 325 36 36 VAL N N 120.338 0.300 1 326 37 37 THR H H 8.115 0.030 1 327 37 37 THR HA H 4.302 0.030 1 328 37 37 THR HB H 4.127 0.030 1 329 37 37 THR HG2 H 1.105 0.030 1 330 37 37 THR C C 174.169 0.300 1 331 37 37 THR CA C 61.454 0.300 1 332 37 37 THR CB C 70.461 0.300 1 333 37 37 THR N N 117.573 0.300 1 334 38 38 HIS HA H 4.653 0.030 1 335 38 38 HIS HB2 H 3.187 0.030 2 336 38 38 HIS HB3 H 3.083 0.030 2 337 38 38 HIS C C 175.276 0.300 1 338 38 38 HIS CA C 55.969 0.300 1 339 38 38 HIS CB C 30.127 0.300 1 340 39 39 GLY H H 8.372 0.030 1 341 39 39 GLY HA2 H 3.897 0.030 1 342 39 39 GLY HA3 H 3.897 0.030 1 343 39 39 GLY C C 173.575 0.300 1 344 39 39 GLY CA C 45.242 0.300 1 345 39 39 GLY N N 127.845 0.300 1 346 40 40 ALA H H 8.106 0.030 1 347 40 40 ALA HA H 4.282 0.030 1 348 40 40 ALA HB H 1.345 0.030 1 349 40 40 ALA C C 177.254 0.300 1 350 40 40 ALA CA C 52.253 0.300 1 351 40 40 ALA CB C 19.086 0.300 1 352 40 40 ALA N N 123.793 0.300 1 353 41 41 ALA H H 8.192 0.030 1 354 41 41 ALA HA H 4.282 0.030 1 355 41 41 ALA HB H 1.345 0.030 1 356 41 41 ALA C C 178.104 0.300 1 357 41 41 ALA CA C 52.256 0.300 1 358 41 41 ALA CB C 19.111 0.300 1 359 41 41 ALA N N 123.163 0.300 1 360 42 42 MET H H 8.211 0.030 1 361 42 42 MET HA H 4.749 0.030 1 362 42 42 MET HB2 H 2.040 0.030 2 363 42 42 MET HB3 H 1.925 0.030 2 364 42 42 MET HG2 H 2.614 0.030 2 365 42 42 MET HG3 H 2.532 0.030 2 366 42 42 MET C C 174.347 0.300 1 367 42 42 MET CA C 53.186 0.300 1 368 42 42 MET CB C 32.508 0.300 1 369 42 42 MET CG C 32.047 0.300 1 370 42 42 MET N N 120.912 0.300 1 371 43 43 PRO HA H 4.455 0.030 1 372 43 43 PRO HB2 H 2.267 0.030 2 373 43 43 PRO HB3 H 1.881 0.030 2 374 43 43 PRO HG2 H 1.977 0.030 1 375 43 43 PRO HG3 H 1.977 0.030 1 376 43 43 PRO HD2 H 3.793 0.030 2 377 43 43 PRO HD3 H 3.674 0.030 2 378 43 43 PRO C C 176.883 0.300 1 379 43 43 PRO CA C 63.197 0.300 1 380 43 43 PRO CB C 32.161 0.300 1 381 43 43 PRO CG C 27.306 0.300 1 382 43 43 PRO CD C 50.712 0.300 1 383 44 44 THR H H 8.163 0.030 1 384 44 44 THR HA H 4.267 0.030 1 385 44 44 THR HB H 4.153 0.030 1 386 44 44 THR HG2 H 1.183 0.030 1 387 44 44 THR C C 174.517 0.300 1 388 44 44 THR CA C 61.847 0.300 1 389 44 44 THR CB C 69.867 0.300 1 390 44 44 THR CG2 C 21.673 0.300 1 391 44 44 THR N N 114.671 0.300 1 392 45 45 LEU H H 8.239 0.030 1 393 45 45 LEU HA H 4.400 0.030 1 394 45 45 LEU HB2 H 1.531 0.030 2 395 45 45 LEU HB3 H 1.597 0.030 2 396 45 45 LEU HG H 1.586 0.030 1 397 45 45 LEU HD1 H 0.826 0.030 1 398 45 45 LEU HD2 H 0.885 0.030 1 399 45 45 LEU C C 177.227 0.300 1 400 45 45 LEU CA C 55.137 0.300 1 401 45 45 LEU CB C 42.455 0.300 1 402 45 45 LEU CG C 27.227 0.300 1 403 45 45 LEU CD1 C 23.478 0.300 2 404 45 45 LEU CD2 C 24.896 0.300 2 405 45 45 LEU N N 124.823 0.300 1 406 46 46 SER H H 8.279 0.030 1 407 46 46 SER HA H 4.423 0.030 1 408 46 46 SER HB2 H 3.853 0.030 2 409 46 46 SER HB3 H 3.842 0.030 2 410 46 46 SER C C 177.270 0.300 1 411 46 46 SER CA C 58.300 0.300 1 412 46 46 SER CB C 63.948 0.300 1 413 46 46 SER N N 116.726 0.300 1 414 47 47 SER H H 8.245 0.030 1 415 47 47 SER HA H 4.427 0.030 1 416 47 47 SER HB2 H 3.854 0.030 1 417 47 47 SER HB3 H 3.854 0.030 1 418 47 47 SER C C 174.360 0.300 1 419 47 47 SER CA C 58.566 0.300 1 420 47 47 SER CB C 63.952 0.300 1 421 47 47 SER N N 117.621 0.300 1 422 48 48 ALA H H 8.254 0.030 1 423 48 48 ALA HA H 4.343 0.030 1 424 48 48 ALA HB H 1.364 0.030 1 425 48 48 ALA C C 177.925 0.300 1 426 48 48 ALA CA C 52.781 0.300 1 427 48 48 ALA CB C 19.297 0.300 1 428 48 48 ALA N N 125.737 0.300 1 429 49 49 THR H H 7.938 0.030 1 430 49 49 THR HA H 4.276 0.030 1 431 49 49 THR HB H 4.139 0.030 1 432 49 49 THR HG2 H 1.180 0.030 1 433 49 49 THR C C 174.145 0.300 1 434 49 49 THR CA C 61.655 0.300 1 435 49 49 THR CB C 69.933 0.300 1 436 49 49 THR CG2 C 21.507 0.300 1 437 49 49 THR N N 112.471 0.300 1 438 50 50 ALA H H 8.125 0.030 1 439 50 50 ALA HA H 4.291 0.030 1 440 50 50 ALA HB H 1.343 0.030 1 441 50 50 ALA C C 177.221 0.300 1 442 50 50 ALA CA C 52.420 0.300 1 443 50 50 ALA CB C 19.073 0.300 1 444 50 50 ALA N N 126.408 0.300 1 445 51 51 GLN H H 8.204 0.030 1 446 51 51 GLN HA H 4.577 0.030 1 447 51 51 GLN HB2 H 2.058 0.030 2 448 51 51 GLN HB3 H 1.888 0.030 2 449 51 51 GLN HG2 H 2.351 0.030 1 450 51 51 GLN HG3 H 2.351 0.030 1 451 51 51 GLN C C 174.360 0.300 1 452 51 51 GLN CA C 53.486 0.300 1 453 51 51 GLN CB C 28.839 0.300 1 454 51 51 GLN CG C 33.419 0.300 1 455 51 51 GLN N N 120.851 0.300 1 456 52 52 PRO HA H 4.308 0.030 1 457 52 52 PRO HB2 H 2.350 0.030 2 458 52 52 PRO HB3 H 1.762 0.030 2 459 52 52 PRO HG2 H 2.196 0.030 2 460 52 52 PRO HG3 H 2.051 0.030 2 461 52 52 PRO HD2 H 3.925 0.030 2 462 52 52 PRO HD3 H 3.625 0.030 2 463 52 52 PRO C C 178.480 0.300 1 464 52 52 PRO CA C 63.454 0.300 1 465 52 52 PRO CB C 32.161 0.300 1 466 52 52 PRO CG C 27.675 0.300 1 467 52 52 PRO CD C 50.242 0.300 1 468 53 53 LEU H H 8.452 0.030 1 469 53 53 LEU HA H 2.571 0.030 1 470 53 53 LEU HB2 H 1.197 0.030 2 471 53 53 LEU HB3 H 1.406 0.030 2 472 53 53 LEU HG H 0.668 0.030 1 473 53 53 LEU HD1 H 0.032 0.030 1 474 53 53 LEU HD2 H 0.473 0.030 1 475 53 53 LEU C C 177.499 0.300 1 476 53 53 LEU CA C 56.939 0.300 1 477 53 53 LEU CB C 41.574 0.300 1 478 53 53 LEU CG C 26.112 0.300 1 479 53 53 LEU CD1 C 23.637 0.300 2 480 53 53 LEU CD2 C 25.799 0.300 2 481 53 53 LEU N N 127.769 0.300 1 482 54 54 PRO HA H 4.426 0.030 1 483 54 54 PRO HB2 H 2.229 0.030 2 484 54 54 PRO HB3 H 1.849 0.030 2 485 54 54 PRO HG2 H 1.979 0.030 1 486 54 54 PRO HG3 H 1.979 0.030 1 487 54 54 PRO HD2 H 3.765 0.030 2 488 54 54 PRO HD3 H 3.596 0.030 2 489 54 54 PRO C C 176.834 0.300 1 490 54 54 PRO CA C 63.000 0.300 1 491 54 54 PRO CB C 32.004 0.300 1 492 54 54 PRO CG C 27.384 0.300 1 493 54 54 PRO CD C 50.399 0.300 1 494 55 55 VAL H H 8.082 0.030 1 495 55 55 VAL HA H 4.017 0.030 1 496 55 55 VAL HB H 2.002 0.030 1 497 55 55 VAL HG1 H 0.910 0.030 1 498 55 55 VAL HG2 H 0.901 0.030 1 499 55 55 VAL C C 176.019 0.300 1 500 55 55 VAL CA C 62.256 0.300 1 501 55 55 VAL CB C 32.809 0.300 1 502 55 55 VAL CG1 C 20.780 0.300 2 503 55 55 VAL CG2 C 21.150 0.300 2 504 55 55 VAL N N 120.381 0.300 1 505 56 56 ALA H H 8.315 0.030 1 506 56 56 ALA HA H 4.302 0.030 1 507 56 56 ALA HB H 1.350 0.030 1 508 56 56 ALA C C 177.456 0.300 1 509 56 56 ALA CA C 52.436 0.300 1 510 56 56 ALA CB C 19.286 0.300 1 511 56 56 ALA N N 127.637 0.300 1 512 57 57 SER H H 8.122 0.030 1 513 57 57 SER HA H 4.431 0.030 1 514 57 57 SER HB2 H 3.860 0.030 2 515 57 57 SER HB3 H 3.817 0.030 2 516 57 57 SER C C 173.641 0.300 1 517 57 57 SER CA C 57.981 0.300 1 518 57 57 SER CB C 64.255 0.300 1 519 57 57 SER N N 114.968 0.300 1 520 58 58 ALA H H 8.193 0.030 1 521 58 58 ALA HA H 4.689 0.030 1 522 58 58 ALA HB H 1.307 0.030 1 523 58 58 ALA C C 174.916 0.300 1 524 58 58 ALA CA C 50.449 0.300 1 525 58 58 ALA CB C 18.675 0.300 1 526 58 58 ALA N N 126.917 0.300 1 527 59 59 PRO HA H 4.391 0.030 1 528 59 59 PRO HB2 H 2.206 0.030 2 529 59 59 PRO HB3 H 1.747 0.030 2 530 59 59 PRO HG2 H 2.055 0.030 1 531 59 59 PRO HG3 H 2.055 0.030 1 532 59 59 PRO HD2 H 3.596 0.030 2 533 59 59 PRO HD3 H 3.768 0.030 2 534 59 59 PRO C C 175.461 0.300 1 535 59 59 PRO CA C 62.955 0.300 1 536 59 59 PRO CB C 32.159 0.300 1 537 59 59 PRO CG C 27.619 0.300 1 538 59 59 PRO CD C 50.477 0.300 1 539 60 60 VAL H H 8.062 0.030 1 540 60 60 VAL HA H 4.587 0.030 1 541 60 60 VAL HB H 1.792 0.030 1 542 60 60 VAL HG1 H 0.674 0.030 1 543 60 60 VAL HG2 H 0.813 0.030 1 544 60 60 VAL C C 176.269 0.300 1 545 60 60 VAL CA C 60.801 0.300 1 546 60 60 VAL CB C 33.737 0.300 1 547 60 60 VAL CG1 C 20.839 0.300 2 548 60 60 VAL CG2 C 21.283 0.300 2 549 60 60 VAL N N 119.971 0.300 1 550 61 61 LEU H H 8.571 0.030 1 551 61 61 LEU HA H 4.598 0.030 1 552 61 61 LEU HB2 H 1.467 0.030 2 553 61 61 LEU HB3 H 1.758 0.030 2 554 61 61 LEU HG H 1.490 0.030 1 555 61 61 LEU HD1 H 0.547 0.030 1 556 61 61 LEU HD2 H 0.332 0.030 1 557 61 61 LEU C C 176.002 0.300 1 558 61 61 LEU CA C 54.317 0.300 1 559 61 61 LEU CB C 41.227 0.300 1 560 61 61 LEU CG C 27.449 0.300 1 561 61 61 LEU CD1 C 25.385 0.300 2 562 61 61 LEU CD2 C 25.066 0.300 2 563 61 61 LEU N N 127.927 0.300 1 564 62 62 SER H H 8.330 0.030 1 565 62 62 SER HA H 4.906 0.030 1 566 62 62 SER HB2 H 3.531 0.030 2 567 62 62 SER HB3 H 3.934 0.030 2 568 62 62 SER C C 174.229 0.300 1 569 62 62 SER CA C 57.905 0.300 1 570 62 62 SER CB C 64.666 0.300 1 571 62 62 SER N N 119.388 0.300 1 572 63 63 ALA H H 7.744 0.030 1 573 63 63 ALA HA H 4.599 0.030 1 574 63 63 ALA HB H 1.363 0.030 1 575 63 63 ALA C C 173.992 0.030 1 576 63 63 ALA CA C 51.250 0.030 1 577 63 63 ALA CB C 17.405 0.300 1 578 63 63 ALA N N 126.018 0.300 1 579 64 64 PRO HA H 4.714 0.030 1 580 64 64 PRO HB2 H 2.049 0.030 2 581 64 64 PRO HB3 H 2.341 0.030 2 582 64 64 PRO HG2 H 1.905 0.030 2 583 64 64 PRO HG3 H 1.818 0.030 2 584 64 64 PRO HD2 H 3.503 0.030 2 585 64 64 PRO HD3 H 3.493 0.030 2 586 64 64 PRO CA C 62.765 0.300 1 587 64 64 PRO CB C 34.130 0.300 1 588 64 64 PRO CG C 24.685 0.300 1 589 64 64 PRO CD C 50.181 0.300 1 590 65 65 LEU H H 8.375 0.030 1 591 65 65 LEU HA H 4.292 0.030 1 592 65 65 LEU HB2 H 1.603 0.030 2 593 65 65 LEU HB3 H 1.546 0.030 2 594 65 65 LEU HG H 1.586 0.030 1 595 65 65 LEU HD1 H 0.883 0.030 1 596 65 65 LEU HD2 H 0.830 0.030 1 597 65 65 LEU CA C 55.879 0.300 1 598 65 65 LEU CB C 42.179 0.300 1 599 65 65 LEU CG C 26.967 0.300 1 600 65 65 LEU CD1 C 24.956 0.300 2 601 65 65 LEU CD2 C 24.916 0.300 2 602 65 65 LEU N N 122.695 0.300 1 603 66 66 GLY H H 9.193 0.030 1 604 66 66 GLY HA2 H 4.309 0.030 2 605 66 66 GLY HA3 H 3.666 0.030 2 606 66 66 GLY C C 173.199 0.300 1 607 66 66 GLY CA C 45.496 0.300 1 608 66 66 GLY N N 118.938 0.300 1 609 67 67 SER H H 7.935 0.030 1 610 67 67 SER HA H 4.470 0.030 1 611 67 67 SER HB2 H 3.851 0.030 1 612 67 67 SER HB3 H 3.851 0.030 1 613 67 67 SER C C 174.686 0.300 1 614 67 67 SER CA C 58.596 0.300 1 615 67 67 SER CB C 66.337 0.300 1 616 67 67 SER N N 115.538 0.300 1 617 68 68 HIS HA H 4.282 0.030 1 618 68 68 HIS HB2 H 3.171 0.030 2 619 68 68 HIS HB3 H 3.314 0.030 2 620 68 68 HIS HD2 H 7.112 0.030 1 621 68 68 HIS HE1 H 8.041 0.030 1 622 68 68 HIS C C 177.483 0.300 1 623 68 68 HIS CA C 60.743 0.300 1 624 68 68 HIS CB C 29.300 0.300 1 625 68 68 HIS CD2 C 120.013 0.300 1 626 68 68 HIS CE1 C 138.362 0.300 1 627 69 69 GLU H H 9.106 0.030 1 628 69 69 GLU HA H 4.037 0.030 1 629 69 69 GLU HB2 H 1.927 0.300 2 630 69 69 GLU HB3 H 2.178 0.300 2 631 69 69 GLU HG2 H 2.340 0.030 1 632 69 69 GLU HG3 H 2.340 0.030 1 633 69 69 GLU C C 178.971 0.300 1 634 69 69 GLU CA C 60.007 0.300 1 635 69 69 GLU CB C 28.576 0.300 1 636 69 69 GLU CG C 36.827 0.300 1 637 69 69 GLU N N 118.043 0.300 1 638 70 70 TRP H H 7.958 0.030 1 639 70 70 TRP HA H 3.701 0.030 1 640 70 70 TRP HB2 H 3.140 0.030 1 641 70 70 TRP HB3 H 3.140 0.030 1 642 70 70 TRP HD1 H 7.585 0.030 1 643 70 70 TRP HE1 H 10.436 0.030 1 644 70 70 TRP HE3 H 7.151 0.030 1 645 70 70 TRP HZ2 H 6.936 0.030 1 646 70 70 TRP HZ3 H 6.460 0.030 1 647 70 70 TRP HH2 H 6.371 0.030 1 648 70 70 TRP C C 177.400 0.300 1 649 70 70 TRP CA C 63.132 0.300 1 650 70 70 TRP CB C 29.956 0.300 1 651 70 70 TRP CD1 C 129.519 0.300 1 652 70 70 TRP CE3 C 124.653 0.300 1 653 70 70 TRP CZ2 C 113.943 0.300 1 654 70 70 TRP CZ3 C 121.771 0.300 1 655 70 70 TRP CH2 C 123.667 0.300 1 656 70 70 TRP N N 123.168 0.300 1 657 70 70 TRP NE1 N 115.641 0.300 1 658 71 71 GLN H H 8.716 0.030 1 659 71 71 GLN HA H 3.842 0.030 1 660 71 71 GLN HB2 H 2.357 0.030 2 661 71 71 GLN HB3 H 2.399 0.030 2 662 71 71 GLN HG2 H 2.971 0.030 1 663 71 71 GLN HG3 H 2.971 0.030 1 664 71 71 GLN HE21 H 6.678 0.030 2 665 71 71 GLN HE22 H 7.630 0.030 2 666 71 71 GLN C C 178.950 0.300 1 667 71 71 GLN CA C 60.472 0.300 1 668 71 71 GLN CB C 28.535 0.300 1 669 71 71 GLN CG C 34.066 0.300 1 670 71 71 GLN N N 117.032 0.300 1 671 71 71 GLN NE2 N 109.901 0.300 1 672 72 72 GLN H H 8.529 0.030 1 673 72 72 GLN HA H 4.029 0.030 1 674 72 72 GLN HB2 H 1.999 0.030 1 675 72 72 GLN HB3 H 1.999 0.030 1 676 72 72 GLN HG2 H 2.176 0.030 1 677 72 72 GLN HG3 H 2.176 0.030 1 678 72 72 GLN HE21 H 6.781 0.030 2 679 72 72 GLN HE22 H 7.246 0.030 2 680 72 72 GLN C C 178.950 0.300 1 681 72 72 GLN CA C 59.465 0.300 1 682 72 72 GLN CB C 28.856 0.300 1 683 72 72 GLN CG C 33.958 0.300 1 684 72 72 GLN N N 119.497 0.300 1 685 72 72 GLN NE2 N 111.222 0.300 1 686 73 73 THR H H 8.197 0.030 1 687 73 73 THR HA H 3.892 0.030 1 688 73 73 THR HB H 3.967 0.030 1 689 73 73 THR HG2 H 1.223 0.030 1 690 73 73 THR C C 176.387 0.300 1 691 73 73 THR CA C 66.210 0.300 1 692 73 73 THR CB C 68.635 0.300 1 693 73 73 THR CG2 C 25.352 0.300 1 694 73 73 THR N N 115.444 0.300 1 695 74 74 PHE H H 8.510 0.030 1 696 74 74 PHE HA H 3.563 0.030 1 697 74 74 PHE HB2 H 1.845 0.030 2 698 74 74 PHE HB3 H 2.585 0.030 2 699 74 74 PHE HD1 H 6.689 0.030 1 700 74 74 PHE HD2 H 6.689 0.030 1 701 74 74 PHE HE1 H 6.891 0.030 1 702 74 74 PHE HE2 H 6.891 0.030 1 703 74 74 PHE HZ H 7.058 0.030 1 704 74 74 PHE C C 175.994 0.300 1 705 74 74 PHE CA C 61.675 0.300 1 706 74 74 PHE CB C 38.343 0.300 1 707 74 74 PHE CD1 C 131.284 0.300 1 708 74 74 PHE CD2 C 131.284 0.300 1 709 74 74 PHE CE1 C 131.373 0.300 1 710 74 74 PHE CE2 C 131.373 0.300 1 711 74 74 PHE CZ C 130.141 0.300 1 712 74 74 PHE N N 123.358 0.300 1 713 75 75 SER H H 8.071 0.030 1 714 75 75 SER HA H 3.842 0.030 1 715 75 75 SER HB2 H 3.542 0.030 2 716 75 75 SER HB3 H 3.520 0.030 2 717 75 75 SER C C 175.848 0.300 1 718 75 75 SER CA C 62.541 0.300 1 719 75 75 SER CB C 62.633 0.300 1 720 75 75 SER N N 113.983 0.300 1 721 76 76 GLN H H 7.891 0.030 1 722 76 76 GLN HA H 3.757 0.030 1 723 76 76 GLN HB2 H 1.979 0.030 2 724 76 76 GLN HB3 H 2.096 0.030 2 725 76 76 GLN HG2 H 2.375 0.030 2 726 76 76 GLN HG3 H 2.242 0.030 2 727 76 76 GLN HE21 H 6.770 0.030 2 728 76 76 GLN HE22 H 7.405 0.030 2 729 76 76 GLN C C 178.725 0.300 1 730 76 76 GLN CA C 58.809 0.300 1 731 76 76 GLN CB C 28.281 0.300 1 732 76 76 GLN CG C 33.726 0.300 1 733 76 76 GLN N N 119.448 0.300 1 734 76 76 GLN NE2 N 111.550 0.300 1 735 77 77 GLN H H 7.795 0.030 1 736 77 77 GLN HA H 3.651 0.030 1 737 77 77 GLN HB2 H 1.677 0.030 2 738 77 77 GLN HB3 H 1.728 0.030 2 739 77 77 GLN HG2 H 1.894 0.030 2 740 77 77 GLN HG3 H 2.286 0.030 2 741 77 77 GLN HE21 H 6.545 0.030 2 742 77 77 GLN HE22 H 6.617 0.030 2 743 77 77 GLN C C 177.483 0.300 1 744 77 77 GLN CA C 58.059 0.300 1 745 77 77 GLN CB C 27.540 0.300 1 746 77 77 GLN CG C 33.691 0.300 1 747 77 77 GLN N N 118.014 0.300 1 748 77 77 GLN NE2 N 111.177 0.300 1 749 78 78 VAL H H 7.698 0.030 1 750 78 78 VAL HA H 3.282 0.030 1 751 78 78 VAL HB H 1.564 0.030 1 752 78 78 VAL HG1 H 0.662 0.030 1 753 78 78 VAL HG2 H 0.279 0.030 1 754 78 78 VAL C C 178.824 0.300 1 755 78 78 VAL CA C 66.798 0.300 1 756 78 78 VAL CB C 30.437 0.300 1 757 78 78 VAL CG1 C 22.209 0.300 2 758 78 78 VAL CG2 C 23.278 0.300 2 759 78 78 VAL N N 118.293 0.300 1 760 79 79 MET H H 8.110 0.030 1 761 79 79 MET HA H 3.926 0.030 1 762 79 79 MET HB2 H 2.015 0.030 2 763 79 79 MET HB3 H 1.924 0.030 2 764 79 79 MET HG2 H 2.478 0.030 2 765 79 79 MET HG3 H 2.350 0.030 2 766 79 79 MET HE H 1.922 0.030 1 767 79 79 MET C C 178.643 0.300 1 768 79 79 MET CA C 58.455 0.300 1 769 79 79 MET CB C 31.253 0.300 1 770 79 79 MET CG C 31.595 0.300 1 771 79 79 MET CE C 16.563 0.300 1 772 79 79 MET N N 119.951 0.300 1 773 80 80 LEU H H 7.638 0.030 1 774 80 80 LEU HA H 3.926 0.030 1 775 80 80 LEU HB2 H 1.427 0.030 2 776 80 80 LEU HB3 H 1.591 0.030 2 777 80 80 LEU HG H 1.381 0.030 1 778 80 80 LEU HD1 H 0.743 0.030 1 779 80 80 LEU HD2 H 0.678 0.030 1 780 80 80 LEU C C 179.378 0.300 1 781 80 80 LEU CA C 58.464 0.300 1 782 80 80 LEU CB C 41.151 0.300 1 783 80 80 LEU CG C 27.933 0.300 1 784 80 80 LEU CD1 C 26.572 0.300 2 785 80 80 LEU CD2 C 26.090 0.300 2 786 80 80 LEU N N 121.720 0.300 1 787 81 81 PHE H H 7.785 0.030 1 788 81 81 PHE HA H 4.517 0.030 1 789 81 81 PHE HB2 H 3.114 0.030 1 790 81 81 PHE HB3 H 3.114 0.030 1 791 81 81 PHE HD1 H 6.993 0.030 1 792 81 81 PHE HD2 H 6.993 0.030 1 793 81 81 PHE HE1 H 7.020 0.030 1 794 81 81 PHE HE2 H 7.020 0.030 1 795 81 81 PHE HZ H 7.013 0.030 1 796 81 81 PHE C C 178.488 0.300 1 797 81 81 PHE CA C 58.760 0.300 1 798 81 81 PHE CB C 37.541 0.300 1 799 81 81 PHE CD1 C 130.953 0.300 1 800 81 81 PHE CD2 C 130.953 0.300 1 801 81 81 PHE CE1 C 130.945 0.300 1 802 81 81 PHE CE2 C 130.945 0.300 1 803 81 81 PHE CZ C 129.398 0.300 1 804 81 81 PHE N N 117.691 0.300 1 805 82 82 THR H H 8.010 0.030 1 806 82 82 THR HA H 3.849 0.030 1 807 82 82 THR HB H 4.128 0.030 1 808 82 82 THR HG2 H 1.071 0.030 1 809 82 82 THR CA C 66.917 0.300 1 810 82 82 THR CB C 68.495 0.300 1 811 82 82 THR CG2 C 21.548 0.300 1 812 82 82 THR N N 113.793 0.300 1 813 83 83 ARG H H 8.054 0.030 1 814 83 83 ARG HA H 4.090 0.030 1 815 83 83 ARG HB2 H 1.905 0.030 1 816 83 83 ARG HB3 H 1.905 0.030 1 817 83 83 ARG HG2 H 1.650 0.030 2 818 83 83 ARG HG3 H 1.736 0.030 2 819 83 83 ARG HD2 H 3.102 0.030 1 820 83 83 ARG HD3 H 3.102 0.030 1 821 83 83 ARG C C 177.941 0.300 1 822 83 83 ARG CA C 58.293 0.300 1 823 83 83 ARG CB C 30.374 0.300 1 824 83 83 ARG CG C 27.577 0.300 1 825 83 83 ARG CD C 43.585 0.300 1 826 83 83 ARG N N 122.174 0.300 1 827 84 84 GLN H H 7.880 0.030 1 828 84 84 GLN HA H 4.263 0.030 1 829 84 84 GLN HB2 H 2.276 0.030 2 830 84 84 GLN HB3 H 2.178 0.030 2 831 84 84 GLN HG2 H 2.582 0.030 2 832 84 84 GLN HG3 H 2.435 0.030 2 833 84 84 GLN HE21 H 6.790 0.030 2 834 84 84 GLN HE22 H 7.274 0.030 2 835 84 84 GLN C C 176.673 0.300 1 836 84 84 GLN CA C 56.166 0.300 1 837 84 84 GLN CB C 29.402 0.300 1 838 84 84 GLN CG C 34.350 0.300 1 839 84 84 GLN N N 115.691 0.300 1 840 84 84 GLN NE2 N 110.101 0.300 1 841 85 85 GLY H H 7.863 0.030 1 842 85 85 GLY HA2 H 3.752 0.030 2 843 85 85 GLY HA3 H 4.021 0.030 2 844 85 85 GLY C C 174.589 0.300 1 845 85 85 GLY CA C 46.204 0.300 1 846 85 85 GLY N N 126.189 0.300 1 847 86 86 GLN H H 7.949 0.030 1 848 86 86 GLN HA H 4.311 0.030 1 849 86 86 GLN HB2 H 1.889 0.030 2 850 86 86 GLN HB3 H 1.995 0.030 2 851 86 86 GLN HG2 H 2.285 0.030 1 852 86 86 GLN HG3 H 2.285 0.030 1 853 86 86 GLN HE21 H 6.719 0.030 2 854 86 86 GLN HE22 H 7.444 0.030 2 855 86 86 GLN C C 175.001 0.300 1 856 86 86 GLN CA C 55.710 0.300 1 857 86 86 GLN CB C 29.067 0.300 1 858 86 86 GLN CG C 33.801 0.300 1 859 86 86 GLN N N 119.312 0.300 1 860 86 86 GLN NE2 N 110.259 0.300 1 861 87 87 GLN H H 8.409 0.030 1 862 87 87 GLN HA H 4.575 0.030 1 863 87 87 GLN HB2 H 2.296 0.030 2 864 87 87 GLN HB3 H 1.992 0.030 2 865 87 87 GLN HG2 H 2.432 0.030 1 866 87 87 GLN HG3 H 2.432 0.030 1 867 87 87 GLN HE21 H 6.823 0.030 2 868 87 87 GLN HE22 H 7.497 0.030 2 869 87 87 GLN C C 176.106 0.300 1 870 87 87 GLN CA C 57.001 0.300 1 871 87 87 GLN CB C 30.204 0.300 1 872 87 87 GLN CG C 34.049 0.300 1 873 87 87 GLN N N 120.319 0.300 1 874 87 87 GLN NE2 N 111.699 0.300 1 875 88 88 SER H H 7.685 0.030 1 876 88 88 SER HA H 5.227 0.030 1 877 88 88 SER HB2 H 3.795 0.030 2 878 88 88 SER HB3 H 3.725 0.030 2 879 88 88 SER C C 172.602 0.300 1 880 88 88 SER CA C 56.629 0.300 1 881 88 88 SER CB C 65.250 0.300 1 882 88 88 SER N N 113.086 0.300 1 883 89 89 ALA H H 8.697 0.030 1 884 89 89 ALA HA H 4.315 0.030 1 885 89 89 ALA HB H 0.342 0.030 1 886 89 89 ALA C C 174.864 0.300 1 887 89 89 ALA CA C 51.257 0.300 1 888 89 89 ALA CB C 22.011 0.300 1 889 89 89 ALA N N 125.013 0.300 1 890 90 90 GLN H H 7.991 0.030 1 891 90 90 GLN HA H 5.149 0.030 1 892 90 90 GLN HB2 H 1.788 0.030 1 893 90 90 GLN HB3 H 1.788 0.030 1 894 90 90 GLN HG2 H 2.040 0.030 1 895 90 90 GLN HG3 H 2.040 0.030 1 896 90 90 GLN HE21 H 6.701 0.030 2 897 90 90 GLN HE22 H 7.351 0.030 2 898 90 90 GLN C C 174.428 0.300 1 899 90 90 GLN CA C 54.405 0.300 1 900 90 90 GLN CB C 31.789 0.300 1 901 90 90 GLN CG C 34.025 0.300 1 902 90 90 GLN N N 117.580 0.300 1 903 90 90 GLN NE2 N 110.617 0.300 1 904 91 91 LEU H H 8.763 0.030 1 905 91 91 LEU HA H 4.780 0.030 1 906 91 91 LEU HB2 H 1.447 0.030 2 907 91 91 LEU HB3 H 1.550 0.030 2 908 91 91 LEU HG H 1.605 0.030 1 909 91 91 LEU HD1 H 0.860 0.030 1 910 91 91 LEU HD2 H 0.838 0.030 1 911 91 91 LEU C C 175.864 0.300 1 912 91 91 LEU CA C 53.392 0.300 1 913 91 91 LEU CB C 44.365 0.300 1 914 91 91 LEU CG C 27.732 0.300 1 915 91 91 LEU CD1 C 26.116 0.300 1 916 91 91 LEU CD2 C 26.116 0.300 1 917 91 91 LEU N N 121.125 0.300 1 918 92 92 ARG H H 8.920 0.030 1 919 92 92 ARG HA H 4.381 0.030 1 920 92 92 ARG HB2 H 1.937 0.030 2 921 92 92 ARG HB3 H 1.937 0.030 2 922 92 92 ARG HG2 H 1.771 0.030 2 923 92 92 ARG HG3 H 1.642 0.030 2 924 92 92 ARG HD2 H 3.202 0.030 2 925 92 92 ARG HD3 H 3.225 0.030 2 926 92 92 ARG C C 174.234 0.300 1 927 92 92 ARG CA C 56.511 0.300 1 928 92 92 ARG CB C 31.611 0.300 1 929 92 92 ARG CG C 27.572 0.300 1 930 92 92 ARG CD C 43.692 0.300 1 931 92 92 ARG N N 124.396 0.300 1 932 93 93 LEU H H 7.888 0.030 1 933 93 93 LEU HA H 4.965 0.030 1 934 93 93 LEU HB2 H 1.657 0.030 2 935 93 93 LEU HB3 H 1.840 0.030 2 936 93 93 LEU HG H 1.783 0.030 1 937 93 93 LEU HD1 H 1.070 0.030 1 938 93 93 LEU HD2 H 0.902 0.030 1 939 93 93 LEU C C 174.977 0.300 1 940 93 93 LEU CA C 54.001 0.300 1 941 93 93 LEU CB C 42.513 0.300 1 942 93 93 LEU CG C 28.563 0.300 1 943 93 93 LEU CD1 C 24.180 0.300 2 944 93 93 LEU CD2 C 27.201 0.300 2 945 93 93 LEU N N 122.813 0.300 1 946 94 94 HIS H H 7.825 0.030 1 947 94 94 HIS HA H 4.534 0.030 1 948 94 94 HIS HB2 H 2.701 0.030 2 949 94 94 HIS HB3 H 2.812 0.030 2 950 94 94 HIS HD2 H 7.051 0.030 1 951 94 94 HIS HE1 H 7.878 0.030 1 952 94 94 HIS C C 173.749 0.300 1 953 94 94 HIS CA C 54.087 0.300 1 954 94 94 HIS CB C 34.091 0.300 1 955 94 94 HIS CD2 C 119.159 0.300 1 956 94 94 HIS CE1 C 138.789 0.300 1 957 94 94 HIS N N 119.281 0.300 1 958 95 95 PRO HA H 3.447 0.030 1 959 95 95 PRO HB2 H 2.144 0.030 1 960 95 95 PRO HB3 H 2.144 0.030 1 961 95 95 PRO HG2 H 1.678 0.030 2 962 95 95 PRO HG3 H 1.732 0.030 2 963 95 95 PRO HD2 H 3.414 0.030 1 964 95 95 PRO HD3 H 3.414 0.030 1 965 95 95 PRO C C 176.486 0.300 1 966 95 95 PRO CA C 62.679 0.300 1 967 95 95 PRO CB C 34.822 0.300 1 968 95 95 PRO CG C 25.536 0.300 1 969 95 95 PRO CD C 50.242 0.300 1 970 96 96 GLU H H 8.744 0.030 1 971 96 96 GLU HA H 4.206 0.030 1 972 96 96 GLU HB2 H 2.064 0.030 1 973 96 96 GLU HB3 H 2.064 0.030 1 974 96 96 GLU HG2 H 2.401 0.030 1 975 96 96 GLU HG3 H 2.401 0.030 1 976 96 96 GLU C C 178.983 0.300 1 977 96 96 GLU CA C 59.618 0.300 1 978 96 96 GLU CB C 29.552 0.300 1 979 96 96 GLU CG C 36.647 0.300 1 980 96 96 GLU N N 120.529 0.300 1 981 97 97 GLU H H 9.170 0.030 1 982 97 97 GLU HA H 4.145 0.030 1 983 97 97 GLU HB2 H 1.931 0.030 2 984 97 97 GLU HB3 H 1.979 0.030 2 985 97 97 GLU HG2 H 2.129 0.030 1 986 97 97 GLU HG3 H 2.129 0.030 1 987 97 97 GLU C C 177.359 0.300 1 988 97 97 GLU CA C 58.848 0.300 1 989 97 97 GLU CB C 28.344 0.300 1 990 97 97 GLU CG C 35.969 0.300 1 991 97 97 GLU N N 120.063 0.300 1 992 98 98 LEU H H 8.024 0.030 1 993 98 98 LEU HA H 3.794 0.030 1 994 98 98 LEU HB2 H 1.819 0.030 2 995 98 98 LEU HB3 H 1.262 0.030 2 996 98 98 LEU HG H 1.443 0.030 1 997 98 98 LEU HD1 H 0.836 0.030 1 998 98 98 LEU HD2 H 0.514 0.030 1 999 98 98 LEU C C 177.036 0.300 1 1000 98 98 LEU CA C 55.657 0.300 1 1001 98 98 LEU CB C 42.772 0.300 1 1002 98 98 LEU CG C 27.294 0.300 1 1003 98 98 LEU CD1 C 26.971 0.300 2 1004 98 98 LEU CD2 C 22.093 0.300 2 1005 98 98 LEU N N 118.858 0.300 1 1006 99 99 GLY H H 7.808 0.030 1 1007 99 99 GLY HA2 H 4.098 0.030 2 1008 99 99 GLY HA3 H 3.845 0.030 2 1009 99 99 GLY C C 172.263 0.300 1 1010 99 99 GLY CA C 45.825 0.300 1 1011 99 99 GLY N N 122.555 0.300 1 1012 100 100 GLN H H 8.397 0.030 1 1013 100 100 GLN HA H 5.335 0.030 1 1014 100 100 GLN HB2 H 1.865 0.030 1 1015 100 100 GLN HB3 H 1.865 0.030 1 1016 100 100 GLN HG2 H 2.278 0.030 1 1017 100 100 GLN HG3 H 2.278 0.030 1 1018 100 100 GLN HE21 H 6.741 0.030 2 1019 100 100 GLN HE22 H 7.374 0.030 2 1020 100 100 GLN C C 176.745 0.300 1 1021 100 100 GLN CA C 53.982 0.300 1 1022 100 100 GLN CB C 32.528 0.300 1 1023 100 100 GLN CG C 34.185 0.300 1 1024 100 100 GLN N N 117.906 0.300 1 1025 100 100 GLN NE2 N 110.816 0.300 1 1026 101 101 VAL H H 9.136 0.030 1 1027 101 101 VAL HA H 4.851 0.030 1 1028 101 101 VAL HB H 2.020 0.030 1 1029 101 101 VAL HG1 H 1.070 0.030 1 1030 101 101 VAL HG2 H 0.976 0.030 1 1031 101 101 VAL C C 175.316 0.300 1 1032 101 101 VAL CA C 60.930 0.300 1 1033 101 101 VAL CB C 35.245 0.300 1 1034 101 101 VAL CG1 C 22.444 0.300 2 1035 101 101 VAL CG2 C 21.656 0.300 2 1036 101 101 VAL N N 122.583 0.300 1 1037 102 102 HIS H H 8.421 0.030 1 1038 102 102 HIS HA H 5.028 0.030 1 1039 102 102 HIS HB2 H 2.980 0.030 2 1040 102 102 HIS HB3 H 3.905 0.030 2 1041 102 102 HIS C C 174.718 0.300 1 1042 102 102 HIS CA C 56.167 0.300 1 1043 102 102 HIS CB C 31.902 0.300 1 1044 102 102 HIS N N 126.992 0.300 1 1045 103 103 ILE H H 8.825 0.030 1 1046 103 103 ILE HA H 5.011 0.030 1 1047 103 103 ILE HB H 1.510 0.030 1 1048 103 103 ILE HG12 H 1.475 0.030 2 1049 103 103 ILE HG13 H 0.978 0.030 2 1050 103 103 ILE HG2 H 0.748 0.030 1 1051 103 103 ILE HD1 H 0.790 0.030 1 1052 103 103 ILE C C 174.202 0.300 1 1053 103 103 ILE CA C 59.756 0.300 1 1054 103 103 ILE CB C 41.184 0.300 1 1055 103 103 ILE CG1 C 28.009 0.300 1 1056 103 103 ILE CG2 C 17.670 0.300 1 1057 103 103 ILE CD1 C 14.310 0.300 1 1058 103 103 ILE N N 124.867 0.300 1 1059 104 104 SER H H 8.915 0.030 1 1060 104 104 SER HA H 5.203 0.030 1 1061 104 104 SER HB2 H 3.665 0.030 2 1062 104 104 SER HB3 H 3.770 0.030 2 1063 104 104 SER C C 172.845 0.300 1 1064 104 104 SER CA C 56.926 0.300 1 1065 104 104 SER CB C 64.818 0.300 1 1066 104 104 SER N N 121.678 0.300 1 1067 105 105 LEU H H 8.738 0.030 1 1068 105 105 LEU HA H 5.149 0.030 1 1069 105 105 LEU HB2 H 1.595 0.030 2 1070 105 105 LEU HB3 H 1.439 0.030 2 1071 105 105 LEU HD1 H 0.744 0.030 1 1072 105 105 LEU HD2 H 0.680 0.030 1 1073 105 105 LEU C C 174.969 0.300 1 1074 105 105 LEU CA C 54.402 0.300 1 1075 105 105 LEU CB C 45.574 0.300 1 1076 105 105 LEU CG C 27.983 0.300 1 1077 105 105 LEU CD1 C 26.538 0.300 2 1078 105 105 LEU CD2 C 25.162 0.300 2 1079 105 105 LEU N N 127.942 0.300 1 1080 106 106 LYS H H 8.436 0.030 1 1081 106 106 LYS HA H 4.592 0.030 1 1082 106 106 LYS HB2 H 1.647 0.030 2 1083 106 106 LYS HB3 H 1.765 0.030 2 1084 106 106 LYS HG2 H 1.351 0.030 2 1085 106 106 LYS HG3 H 1.279 0.030 2 1086 106 106 LYS HD2 H 1.600 0.030 1 1087 106 106 LYS HD3 H 1.600 0.030 1 1088 106 106 LYS HE2 H 2.910 0.030 1 1089 106 106 LYS HE3 H 2.910 0.030 1 1090 106 106 LYS C C 174.694 0.300 1 1091 106 106 LYS CA C 55.310 0.300 1 1092 106 106 LYS CB C 35.264 0.300 1 1093 106 106 LYS CG C 24.838 0.300 1 1094 106 106 LYS CD C 29.163 0.300 1 1095 106 106 LYS CE C 42.133 0.300 1 1096 106 106 LYS N N 124.449 0.300 1 1097 107 107 LEU H H 8.658 0.030 1 1098 107 107 LEU HA H 4.994 0.030 1 1099 107 107 LEU HB2 H 1.656 0.030 2 1100 107 107 LEU HB3 H 1.412 0.030 2 1101 107 107 LEU HG H 1.447 0.030 1 1102 107 107 LEU HD1 H 0.780 0.030 1 1103 107 107 LEU HD2 H 0.780 0.030 1 1104 107 107 LEU C C 175.566 0.300 1 1105 107 107 LEU CA C 53.976 0.300 1 1106 107 107 LEU CB C 43.895 0.300 1 1107 107 107 LEU CG C 27.466 0.300 1 1108 107 107 LEU CD1 C 24.834 0.300 1 1109 107 107 LEU CD2 C 24.834 0.300 1 1110 107 107 LEU N N 127.615 0.300 1 1111 108 108 ASP H H 8.393 0.030 1 1112 108 108 ASP HA H 4.765 0.030 1 1113 108 108 ASP HB2 H 2.478 0.030 2 1114 108 108 ASP HB3 H 2.603 0.030 2 1115 108 108 ASP C C 175.833 0.300 1 1116 108 108 ASP CA C 53.600 0.300 1 1117 108 108 ASP CB C 42.841 0.300 1 1118 108 108 ASP N N 124.224 0.300 1 1119 109 109 ASP H H 8.999 0.030 1 1120 109 109 ASP HA H 4.171 0.030 1 1121 109 109 ASP HB2 H 2.608 0.030 2 1122 109 109 ASP HB3 H 2.928 0.030 2 1123 109 109 ASP C C 174.856 0.300 1 1124 109 109 ASP CA C 56.336 0.300 1 1125 109 109 ASP CB C 39.526 0.300 1 1126 109 109 ASP N N 124.656 0.300 1 1127 110 110 ASN H H 8.457 0.030 1 1128 110 110 ASN HA H 4.478 0.030 1 1129 110 110 ASN HB2 H 3.019 0.030 2 1130 110 110 ASN HB3 H 3.144 0.030 2 1131 110 110 ASN HD21 H 6.824 0.030 2 1132 110 110 ASN HD22 H 7.454 0.030 2 1133 110 110 ASN C C 173.483 0.300 1 1134 110 110 ASN CA C 54.069 0.300 1 1135 110 110 ASN CB C 37.925 0.300 1 1136 110 110 ASN N N 115.030 0.300 1 1137 110 110 ASN ND2 N 112.558 0.300 1 1138 111 111 GLN H H 8.054 0.030 1 1139 111 111 GLN HA H 5.015 0.030 1 1140 111 111 GLN HB2 H 1.939 0.030 2 1141 111 111 GLN HB3 H 2.095 0.030 2 1142 111 111 GLN HG2 H 2.234 0.030 2 1143 111 111 GLN HG3 H 2.339 0.030 2 1144 111 111 GLN HE21 H 6.774 0.030 2 1145 111 111 GLN HE22 H 7.430 0.030 2 1146 111 111 GLN C C 174.702 0.300 1 1147 111 111 GLN CA C 54.609 0.300 1 1148 111 111 GLN CB C 31.006 0.300 1 1149 111 111 GLN CG C 33.983 0.300 1 1150 111 111 GLN N N 118.483 0.300 1 1151 111 111 GLN NE2 N 111.152 0.300 1 1152 112 112 ALA H H 8.631 0.030 1 1153 112 112 ALA HA H 5.318 0.030 1 1154 112 112 ALA HB H 1.050 0.300 1 1155 112 112 ALA C C 176.204 0.300 1 1156 112 112 ALA CA C 50.325 0.300 1 1157 112 112 ALA CB C 21.453 0.300 1 1158 112 112 ALA N N 125.339 0.300 1 1159 113 113 GLN H H 8.832 0.030 1 1160 113 113 GLN HA H 4.862 0.030 1 1161 113 113 GLN HB2 H 1.918 0.030 2 1162 113 113 GLN HB3 H 2.094 0.030 2 1163 113 113 GLN HG2 H 2.275 0.030 2 1164 113 113 GLN HG3 H 2.356 0.030 2 1165 113 113 GLN HE21 H 6.694 0.030 2 1166 113 113 GLN HE22 H 7.271 0.030 2 1167 113 113 GLN C C 174.783 0.300 1 1168 113 113 GLN CA C 54.806 0.300 1 1169 113 113 GLN CB C 31.036 0.300 1 1170 113 113 GLN CG C 33.766 0.300 1 1171 113 113 GLN N N 120.776 0.300 1 1172 113 113 GLN NE2 N 110.875 0.300 1 1173 114 114 LEU H H 8.299 0.030 1 1174 114 114 LEU HA H 5.317 0.030 1 1175 114 114 LEU HB2 H 1.623 0.030 2 1176 114 114 LEU HB3 H 1.361 0.030 2 1177 114 114 LEU HG H 1.440 0.030 1 1178 114 114 LEU HD1 H 0.839 0.030 1 1179 114 114 LEU HD2 H 0.853 0.030 1 1180 114 114 LEU C C 175.079 0.300 1 1181 114 114 LEU CA C 53.743 0.300 1 1182 114 114 LEU CB C 47.140 0.300 1 1183 114 114 LEU CG C 28.015 0.300 1 1184 114 114 LEU CD1 C 24.964 0.300 2 1185 114 114 LEU CD2 C 26.171 0.300 2 1186 114 114 LEU N N 125.028 0.300 1 1187 115 115 GLN H H 8.933 0.030 1 1188 115 115 GLN HA H 5.223 0.030 1 1189 115 115 GLN HB2 H 1.984 0.030 2 1190 115 115 GLN HB3 H 1.948 0.030 2 1191 115 115 GLN HG2 H 2.233 0.030 2 1192 115 115 GLN HG3 H 2.121 0.030 2 1193 115 115 GLN HE21 H 6.597 0.030 2 1194 115 115 GLN HE22 H 7.209 0.030 2 1195 115 115 GLN C C 175.316 0.300 1 1196 115 115 GLN CA C 54.720 0.300 1 1197 115 115 GLN CB C 31.279 0.300 1 1198 115 115 GLN CG C 33.988 0.300 1 1199 115 115 GLN N N 124.041 0.300 1 1200 115 115 GLN NE2 N 110.757 0.300 1 1201 116 116 MET H H 8.999 0.030 1 1202 116 116 MET HA H 5.586 0.030 1 1203 116 116 MET HB2 H 1.834 0.030 2 1204 116 116 MET HB3 H 2.187 0.030 2 1205 116 116 MET HG2 H 2.360 0.030 2 1206 116 116 MET HG3 H 2.584 0.030 2 1207 116 116 MET HE H 1.991 0.030 1 1208 116 116 MET C C 174.775 0.300 1 1209 116 116 MET CA C 54.485 0.300 1 1210 116 116 MET CB C 38.251 0.300 1 1211 116 116 MET CG C 33.302 0.300 1 1212 116 116 MET CE C 18.121 0.300 1 1213 116 116 MET N N 122.659 0.300 1 1214 117 117 VAL H H 8.877 0.030 1 1215 117 117 VAL HA H 5.133 0.030 1 1216 117 117 VAL HB H 1.843 0.030 1 1217 117 117 VAL HG1 H 0.720 0.030 1 1218 117 117 VAL HG2 H 0.630 0.030 1 1219 117 117 VAL C C 176.479 0.300 1 1220 117 117 VAL CA C 60.443 0.300 1 1221 117 117 VAL CB C 35.944 0.300 1 1222 117 117 VAL CG1 C 21.102 0.300 2 1223 117 117 VAL CG2 C 20.830 0.300 2 1224 117 117 VAL N N 122.132 0.300 1 1225 118 118 SER H H 7.984 0.030 1 1226 118 118 SER HA H 5.098 0.030 1 1227 118 118 SER HB2 H 4.074 0.030 2 1228 118 118 SER HB3 H 3.212 0.030 2 1229 118 118 SER C C 174.425 0.300 1 1230 118 118 SER CA C 55.239 0.300 1 1231 118 118 SER CB C 66.369 0.300 1 1232 118 118 SER N N 117.585 0.300 1 1233 119 119 PRO HA H 4.580 0.030 1 1234 119 119 PRO HB2 H 1.744 0.030 2 1235 119 119 PRO HB3 H 2.216 0.030 2 1236 119 119 PRO HG2 H 1.965 0.030 2 1237 119 119 PRO HG3 H 1.269 0.030 2 1238 119 119 PRO HD2 H 3.627 0.030 2 1239 119 119 PRO HD3 H 3.774 0.030 2 1240 119 119 PRO C C 175.848 0.300 1 1241 119 119 PRO CA C 63.618 0.300 1 1242 119 119 PRO CB C 32.161 0.300 1 1243 119 119 PRO CG C 25.889 0.300 1 1244 119 119 PRO CD C 50.640 0.300 1 1245 120 120 HIS H H 7.966 0.030 1 1246 120 120 HIS HA H 5.000 0.030 1 1247 120 120 HIS HB2 H 2.810 0.030 2 1248 120 120 HIS HB3 H 2.609 0.030 2 1249 120 120 HIS HD2 H 7.140 0.030 1 1250 120 120 HIS HE1 H 7.826 0.030 1 1251 120 120 HIS C C 177.009 0.300 1 1252 120 120 HIS CA C 55.045 0.300 1 1253 120 120 HIS CB C 32.586 0.300 1 1254 120 120 HIS CD2 C 120.014 0.300 1 1255 120 120 HIS CE1 C 139.237 0.300 1 1256 120 120 HIS N N 120.520 0.300 1 1257 122 122 HIS HA H 4.473 0.030 1 1258 122 122 HIS HB2 H 2.936 0.030 2 1259 122 122 HIS HB3 H 3.033 0.030 2 1260 122 122 HIS HD2 H 6.791 0.030 1 1261 122 122 HIS HE1 H 7.745 0.030 1 1262 122 122 HIS C C 178.546 0.300 1 1263 122 122 HIS CA C 58.270 0.300 1 1264 122 122 HIS CB C 28.662 0.300 1 1265 122 122 HIS CD2 C 118.321 0.300 1 1266 122 122 HIS CE1 C 139.020 0.300 1 1267 123 123 VAL H H 6.696 0.030 1 1268 123 123 VAL HA H 3.475 0.030 1 1269 123 123 VAL HB H 2.492 0.030 1 1270 123 123 VAL HG1 H 0.850 0.030 1 1271 123 123 VAL HG2 H 0.737 0.030 1 1272 123 123 VAL C C 177.597 0.300 1 1273 123 123 VAL CA C 66.193 0.300 1 1274 123 123 VAL CB C 31.089 0.300 1 1275 123 123 VAL CG1 C 21.803 0.300 2 1276 123 123 VAL CG2 C 23.001 0.300 2 1277 123 123 VAL N N 122.259 0.300 1 1278 124 124 ARG H H 8.208 0.030 1 1279 124 124 ARG HA H 3.790 0.030 1 1280 124 124 ARG HB2 H 2.006 0.030 2 1281 124 124 ARG HB3 H 1.962 0.030 2 1282 124 124 ARG CA C 61.300 0.300 1 1283 124 124 ARG CB C 29.473 0.300 1 1284 124 124 ARG N N 118.305 0.300 1 1285 125 125 ALA H H 7.884 0.030 1 1286 125 125 ALA HA H 4.151 0.030 1 1287 125 125 ALA HB H 1.402 0.030 1 1288 125 125 ALA C C 180.226 0.300 1 1289 125 125 ALA CA C 55.302 0.300 1 1290 125 125 ALA CB C 17.976 0.300 1 1291 125 125 ALA N N 119.452 0.300 1 1292 126 126 ALA H H 7.153 0.030 1 1293 126 126 ALA HA H 4.004 0.030 1 1294 126 126 ALA HB H 0.742 0.030 1 1295 126 126 ALA C C 180.081 0.300 1 1296 126 126 ALA CA C 54.630 0.300 1 1297 126 126 ALA CB C 17.372 0.300 1 1298 126 126 ALA N N 122.595 0.300 1 1299 127 127 LEU H H 8.375 0.030 1 1300 127 127 LEU HA H 3.724 0.030 1 1301 127 127 LEU HB2 H 1.238 0.030 2 1302 127 127 LEU HB3 H 2.128 0.030 2 1303 127 127 LEU HG H 1.494 0.030 1 1304 127 127 LEU HD1 H 0.825 0.030 1 1305 127 127 LEU HD2 H 0.546 0.030 1 1306 127 127 LEU C C 178.111 0.300 1 1307 127 127 LEU CA C 57.935 0.300 1 1308 127 127 LEU CB C 41.962 0.300 1 1309 127 127 LEU CG C 25.395 0.300 1 1310 127 127 LEU CD1 C 26.623 0.300 2 1311 127 127 LEU CD2 C 24.043 0.300 2 1312 127 127 LEU N N 119.485 0.300 1 1313 128 128 GLU H H 7.952 0.030 1 1314 128 128 GLU HA H 3.752 0.030 1 1315 128 128 GLU HB2 H 2.111 0.030 2 1316 128 128 GLU HB3 H 2.037 0.030 2 1317 128 128 GLU HG2 H 2.310 0.030 2 1318 128 128 GLU HG3 H 2.231 0.030 2 1319 128 128 GLU C C 180.024 0.300 1 1320 128 128 GLU CA C 59.532 0.300 1 1321 128 128 GLU CB C 29.646 0.300 1 1322 128 128 GLU CG C 36.400 0.300 1 1323 128 128 GLU N N 117.728 0.300 1 1324 129 129 ALA H H 7.720 0.030 1 1325 129 129 ALA HA H 4.196 0.030 1 1326 129 129 ALA HB H 1.491 0.030 1 1327 129 129 ALA C C 178.199 0.300 1 1328 129 129 ALA CA C 53.831 0.300 1 1329 129 129 ALA CB C 18.247 0.300 1 1330 129 129 ALA N N 120.070 0.300 1 1331 130 130 ALA H H 7.589 0.030 1 1332 130 130 ALA HA H 4.410 0.030 1 1333 130 130 ALA HB H 1.641 0.030 1 1334 130 130 ALA C C 177.327 0.300 1 1335 130 130 ALA CA C 52.616 0.300 1 1336 130 130 ALA CB C 19.597 0.300 1 1337 130 130 ALA N N 118.470 0.300 1 1338 131 131 LEU H H 7.406 0.030 1 1339 131 131 LEU HA H 4.206 0.030 1 1340 131 131 LEU HB2 H 2.078 0.030 2 1341 131 131 LEU HB3 H 1.507 0.030 2 1342 131 131 LEU HG H 2.093 0.030 1 1343 131 131 LEU HD1 H 0.985 0.030 1 1344 131 131 LEU HD2 H 0.868 0.030 1 1345 131 131 LEU C C 175.591 0.300 1 1346 131 131 LEU CA C 59.618 0.300 1 1347 131 131 LEU CB C 39.675 0.300 1 1348 131 131 LEU CG C 23.065 0.300 1 1349 131 131 LEU CD1 C 25.511 0.300 2 1350 131 131 LEU CD2 C 23.324 0.300 2 1351 131 131 LEU N N 118.681 0.300 1 1352 132 132 PRO HA H 4.250 0.030 1 1353 132 132 PRO HB2 H 2.373 0.030 2 1354 132 132 PRO HB3 H 1.925 0.030 2 1355 132 132 PRO HG2 H 1.860 0.030 2 1356 132 132 PRO HG3 H 2.232 0.030 2 1357 132 132 PRO HD2 H 3.733 0.030 2 1358 132 132 PRO HD3 H 3.614 0.030 2 1359 132 132 PRO C C 179.403 0.300 1 1360 132 132 PRO CA C 66.757 0.300 1 1361 132 132 PRO CB C 31.013 0.300 1 1362 132 132 PRO CG C 29.377 0.300 1 1363 132 132 PRO CD C 50.636 0.300 1 1364 133 133 MET H H 7.685 0.030 1 1365 133 133 MET HA H 4.186 0.030 1 1366 133 133 MET HB2 H 2.299 0.030 2 1367 133 133 MET HB3 H 2.097 0.030 2 1368 133 133 MET HG2 H 2.436 0.030 2 1369 133 133 MET HG3 H 2.616 0.030 2 1370 133 133 MET HE H 2.039 0.030 1 1371 133 133 MET C C 178.240 0.300 1 1372 133 133 MET CA C 58.768 0.300 1 1373 133 133 MET CB C 32.395 0.300 1 1374 133 133 MET CG C 31.688 0.300 1 1375 133 133 MET CE C 16.864 0.300 1 1376 133 133 MET N N 118.383 0.300 1 1377 134 134 LEU H H 8.075 0.030 1 1378 134 134 LEU HA H 4.069 0.030 1 1379 134 134 LEU HB2 H 1.632 0.030 2 1380 134 134 LEU HB3 H 1.939 0.030 2 1381 134 134 LEU HG H 1.525 0.030 1 1382 134 134 LEU HD1 H 0.788 0.030 1 1383 134 134 LEU HD2 H 0.785 0.030 1 1384 134 134 LEU C C 178.417 0.300 1 1385 134 134 LEU CA C 58.227 0.300 1 1386 134 134 LEU CB C 41.710 0.300 1 1387 134 134 LEU CG C 27.493 0.300 1 1388 134 134 LEU CD1 C 23.813 0.300 1 1389 134 134 LEU CD2 C 23.813 0.300 1 1390 134 134 LEU N N 121.977 0.300 1 1391 135 135 ARG H H 9.064 0.030 1 1392 135 135 ARG HA H 3.779 0.030 1 1393 135 135 ARG HB2 H 2.032 0.030 2 1394 135 135 ARG HB3 H 1.942 0.030 2 1395 135 135 ARG HG2 H 1.746 0.030 2 1396 135 135 ARG HG3 H 1.647 0.030 2 1397 135 135 ARG HD2 H 3.351 0.030 2 1398 135 135 ARG HD3 H 3.263 0.030 2 1399 135 135 ARG C C 179.774 0.300 1 1400 135 135 ARG CA C 60.641 0.300 1 1401 135 135 ARG CB C 29.866 0.300 1 1402 135 135 ARG CG C 27.503 0.300 1 1403 135 135 ARG CD C 43.420 0.300 1 1404 135 135 ARG N N 118.486 0.300 1 1405 136 136 THR H H 7.980 0.030 1 1406 136 136 THR HA H 3.890 0.030 1 1407 136 136 THR HB H 3.976 0.030 1 1408 136 136 THR HG2 H 1.233 0.030 1 1409 136 136 THR C C 176.188 0.300 1 1410 136 136 THR CA C 66.193 0.300 1 1411 136 136 THR CB C 68.639 0.300 1 1412 136 136 THR CG2 C 22.638 0.300 1 1413 136 136 THR N N 116.649 0.300 1 1414 137 137 GLN H H 8.368 0.030 1 1415 137 137 GLN HA H 4.008 0.030 1 1416 137 137 GLN HB2 H 2.000 0.030 2 1417 137 137 GLN HB3 H 2.092 0.030 2 1418 137 137 GLN HG2 H 2.310 0.030 2 1419 137 137 GLN HG3 H 2.429 0.030 2 1420 137 137 GLN HE21 H 6.637 0.030 2 1421 137 137 GLN HE22 H 7.157 0.030 2 1422 137 137 GLN C C 179.831 0.300 1 1423 137 137 GLN CA C 59.605 0.300 1 1424 137 137 GLN CB C 27.932 0.300 1 1425 137 137 GLN CG C 34.508 0.300 1 1426 137 137 GLN N N 122.233 0.300 1 1427 137 137 GLN NE2 N 110.440 0.300 1 1428 138 138 LEU H H 8.798 0.030 1 1429 138 138 LEU HA H 3.912 0.030 1 1430 138 138 LEU HB2 H 1.379 0.030 2 1431 138 138 LEU HB3 H 1.794 0.030 2 1432 138 138 LEU HG H 1.714 0.030 1 1433 138 138 LEU HD1 H 0.648 0.030 1 1434 138 138 LEU HD2 H 0.684 0.030 1 1435 138 138 LEU C C 179.756 0.300 1 1436 138 138 LEU CA C 58.453 0.300 1 1437 138 138 LEU CB C 40.355 0.300 1 1438 138 138 LEU CG C 27.242 0.300 1 1439 138 138 LEU CD1 C 26.890 0.300 2 1440 138 138 LEU CD2 C 23.327 0.300 2 1441 138 138 LEU N N 120.115 0.300 1 1442 139 139 ALA H H 7.972 0.030 1 1443 139 139 ALA HA H 4.127 0.030 1 1444 139 139 ALA HB H 1.577 0.030 1 1445 139 139 ALA C C 182.339 0.300 1 1446 139 139 ALA CA C 55.404 0.300 1 1447 139 139 ALA CB C 17.649 0.300 1 1448 139 139 ALA N N 122.827 0.300 1 1449 140 140 GLU H H 7.946 0.030 1 1450 140 140 GLU HA H 4.096 0.030 1 1451 140 140 GLU HB2 H 2.146 0.030 1 1452 140 140 GLU HB3 H 2.146 0.030 1 1453 140 140 GLU HG2 H 2.532 0.030 2 1454 140 140 GLU HG3 H 2.297 0.030 2 1455 140 140 GLU C C 177.852 0.300 1 1456 140 140 GLU CA C 59.037 0.300 1 1457 140 140 GLU CB C 29.349 0.300 1 1458 140 140 GLU CG C 36.620 0.300 1 1459 140 140 GLU N N 120.040 0.300 1 1460 141 141 SER H H 7.470 0.030 1 1461 141 141 SER HA H 4.630 0.030 1 1462 141 141 SER HB2 H 3.876 0.030 2 1463 141 141 SER HB3 H 4.044 0.030 2 1464 141 141 SER C C 173.992 0.300 1 1465 141 141 SER CA C 58.245 0.300 1 1466 141 141 SER CB C 64.536 0.300 1 1467 141 141 SER N N 113.404 0.300 1 1468 142 142 GLY H H 7.837 0.030 1 1469 142 142 GLY HA2 H 3.711 0.030 2 1470 142 142 GLY HA3 H 4.111 0.030 2 1471 142 142 GLY C C 173.822 0.300 1 1472 142 142 GLY CA C 45.562 0.300 1 1473 142 142 GLY N N 125.880 0.300 1 1474 143 143 ILE H H 7.869 0.030 1 1475 143 143 ILE HA H 4.343 0.030 1 1476 143 143 ILE HB H 1.466 0.030 1 1477 143 143 ILE HG12 H 1.283 0.030 2 1478 143 143 ILE HG13 H 0.871 0.030 2 1479 143 143 ILE HG2 H 0.549 0.030 1 1480 143 143 ILE HD1 H 0.679 0.030 1 1481 143 143 ILE C C 174.702 0.300 1 1482 143 143 ILE CA C 59.548 0.300 1 1483 143 143 ILE CB C 39.457 0.300 1 1484 143 143 ILE CG1 C 27.204 0.300 1 1485 143 143 ILE CG2 C 18.339 0.300 1 1486 143 143 ILE CD1 C 12.773 0.300 1 1487 143 143 ILE N N 121.808 0.300 1 1488 144 144 GLN H H 8.637 0.030 1 1489 144 144 GLN HA H 4.260 0.030 1 1490 144 144 GLN HB2 H 2.019 0.030 2 1491 144 144 GLN HB3 H 1.954 0.030 2 1492 144 144 GLN HG2 H 2.305 0.030 2 1493 144 144 GLN HG3 H 2.242 0.030 2 1494 144 144 GLN HE21 H 6.775 0.030 2 1495 144 144 GLN HE22 H 7.383 0.030 2 1496 144 144 GLN C C 174.751 0.300 1 1497 144 144 GLN CA C 54.131 0.300 1 1498 144 144 GLN CB C 29.844 0.300 1 1499 144 144 GLN CG C 33.591 0.300 1 1500 144 144 GLN N N 126.128 0.300 1 1501 144 144 GLN NE2 N 111.861 0.300 1 1502 145 145 LEU H H 8.425 0.030 1 1503 145 145 LEU HA H 4.480 0.030 1 1504 145 145 LEU HB2 H 1.928 0.030 2 1505 145 145 LEU HB3 H 1.199 0.030 2 1506 145 145 LEU HG H 1.633 0.030 1 1507 145 145 LEU HD1 H 0.786 0.030 1 1508 145 145 LEU HD2 H 0.730 0.030 1 1509 145 145 LEU C C 175.913 0.300 1 1510 145 145 LEU CA C 55.015 0.300 1 1511 145 145 LEU CB C 42.190 0.300 1 1512 145 145 LEU CD1 C 26.128 0.300 2 1513 145 145 LEU CD2 C 23.178 0.300 2 1514 145 145 LEU N N 127.603 0.300 1 1515 147 147 GLN HA H 4.256 0.030 1 1516 147 147 GLN HB2 H 2.006 0.030 1 1517 147 147 GLN HB3 H 2.006 0.030 1 1518 147 147 GLN HG2 H 2.310 0.030 1 1519 147 147 GLN HG3 H 2.310 0.030 1 1520 147 147 GLN C C 174.848 0.300 1 1521 147 147 GLN CA C 56.816 0.300 1 1522 147 147 GLN CB C 30.400 0.300 1 1523 147 147 GLN CG C 33.800 0.300 1 1524 148 148 SER H H 8.463 0.030 1 1525 148 148 SER HA H 5.492 0.030 1 1526 148 148 SER HB2 H 3.667 0.030 1 1527 148 148 SER HB3 H 3.667 0.030 1 1528 148 148 SER C C 173.548 0.300 1 1529 148 148 SER CA C 57.108 0.300 1 1530 148 148 SER CB C 66.135 0.300 1 1531 148 148 SER N N 119.211 0.300 1 1532 149 149 SER H H 8.371 0.030 1 1533 149 149 SER HA H 4.804 0.030 1 1534 149 149 SER HB2 H 3.819 0.030 1 1535 149 149 SER HB3 H 3.819 0.030 1 1536 149 149 SER C C 172.724 0.300 1 1537 149 149 SER CA C 57.372 0.300 1 1538 149 149 SER CB C 65.560 0.300 1 1539 149 149 SER N N 116.805 0.300 1 1540 150 150 ILE H H 8.682 0.030 1 1541 150 150 ILE HA H 5.034 0.030 1 1542 150 150 ILE HB H 1.797 0.030 1 1543 150 150 ILE HG12 H 0.976 0.030 2 1544 150 150 ILE HG13 H 1.595 0.030 2 1545 150 150 ILE HG2 H 0.884 0.030 1 1546 150 150 ILE HD1 H 0.878 0.030 1 1547 150 150 ILE C C 175.526 0.300 1 1548 150 150 ILE CA C 60.569 0.300 1 1549 150 150 ILE CB C 39.867 0.300 1 1550 150 150 ILE CG1 C 28.780 0.300 1 1551 150 150 ILE CG2 C 18.858 0.300 1 1552 150 150 ILE CD1 C 14.493 0.300 1 1553 150 150 ILE N N 125.856 0.300 1 1554 151 151 SER H H 8.775 0.030 1 1555 151 151 SER HA H 4.974 0.030 1 1556 151 151 SER HB2 H 3.789 0.030 2 1557 151 151 SER HB3 H 3.857 0.030 2 1558 151 151 SER C C 172.732 0.300 1 1559 151 151 SER CA C 56.692 0.300 1 1560 151 151 SER CB C 66.036 0.300 1 1561 151 151 SER N N 121.117 0.300 1 1562 152 152 SER H H 8.402 0.030 1 1563 152 152 SER HA H 4.740 0.030 1 1564 152 152 SER HB2 H 3.644 0.030 2 1565 152 152 SER HB3 H 3.970 0.030 2 1566 152 152 SER CA C 58.067 0.300 1 1567 152 152 SER CB C 64.421 0.300 1 1568 152 152 SER N N 115.129 0.300 1 1569 153 153 GLU H H 7.880 0.030 1 1570 153 153 GLU HA H 4.283 0.030 1 1571 153 153 GLU HB2 H 1.888 0.030 2 1572 153 153 GLU HB3 H 1.767 0.030 2 1573 153 153 GLU HG2 H 2.063 0.030 1 1574 153 153 GLU HG3 H 2.063 0.030 1 1575 153 153 GLU C C 175.195 0.300 1 1576 153 153 GLU CA C 55.715 0.300 1 1577 153 153 GLU CB C 31.795 0.300 1 1578 153 153 GLU CG C 35.837 0.300 1 1579 153 153 GLU N N 119.654 0.300 1 1580 154 154 SER H H 8.327 0.030 1 1581 154 154 SER HA H 4.214 0.030 1 1582 154 154 SER HB2 H 3.626 0.030 2 1583 154 154 SER HB3 H 3.659 0.030 2 1584 154 154 SER C C 174.229 0.300 1 1585 154 154 SER CA C 58.307 0.300 1 1586 154 154 SER CB C 63.804 0.300 1 1587 154 154 SER N N 116.237 0.300 1 1588 155 155 PHE H H 8.133 0.030 1 1589 155 155 PHE HA H 4.537 0.030 1 1590 155 155 PHE HB2 H 2.918 0.030 2 1591 155 155 PHE HB3 H 3.070 0.030 2 1592 155 155 PHE HD1 H 7.175 0.030 1 1593 155 155 PHE HD2 H 7.175 0.030 1 1594 155 155 PHE HE1 H 7.240 0.030 1 1595 155 155 PHE HE2 H 7.240 0.030 1 1596 155 155 PHE C C 175.635 0.300 1 1597 155 155 PHE CA C 57.623 0.300 1 1598 155 155 PHE CB C 39.219 0.300 1 1599 155 155 PHE N N 122.242 0.300 1 1600 156 156 ALA H H 8.213 0.030 1 1601 156 156 ALA HA H 4.224 0.030 1 1602 156 156 ALA HB H 1.282 0.030 1 1603 156 156 ALA C C 178.038 0.300 1 1604 156 156 ALA CA C 52.710 0.300 1 1605 156 156 ALA CB C 19.084 0.300 1 1606 156 156 ALA N N 125.455 0.300 1 1607 157 157 GLY H H 7.954 0.030 1 1608 157 157 GLY HA2 H 3.856 0.030 1 1609 157 157 GLY HA3 H 3.856 0.030 1 1610 157 157 GLY C C 174.202 0.300 1 1611 157 157 GLY CA C 45.338 0.300 1 1612 157 157 GLY N N 125.248 0.300 1 1613 158 158 GLN H H 8.088 0.030 1 1614 158 158 GLN HA H 4.269 0.030 1 1615 158 158 GLN HB2 H 2.057 0.030 2 1616 158 158 GLN HB3 H 1.897 0.030 2 1617 158 158 GLN HG2 H 2.345 0.030 2 1618 158 158 GLN HG3 H 2.271 0.030 2 1619 158 158 GLN C C 176.124 0.300 1 1620 158 158 GLN CA C 55.990 0.300 1 1621 158 158 GLN CB C 29.084 0.300 1 1622 158 158 GLN CG C 33.766 0.300 1 1623 158 158 GLN N N 119.707 0.300 1 1624 159 159 GLN H H 8.402 0.030 1 1625 159 159 GLN HA H 4.256 0.030 1 1626 159 159 GLN HB2 H 2.053 0.030 2 1627 159 159 GLN HB3 H 1.921 0.030 2 1628 159 159 GLN HG2 H 2.316 0.030 1 1629 159 159 GLN HG3 H 2.316 0.030 1 1630 159 159 GLN C C 176.060 0.300 1 1631 159 159 GLN CA C 56.038 0.300 1 1632 159 159 GLN CB C 29.360 0.300 1 1633 159 159 GLN CG C 33.803 0.300 1 1634 159 159 GLN N N 121.390 0.300 1 1635 160 160 GLN H H 8.382 0.030 1 1636 160 160 GLN HA H 4.315 0.030 1 1637 160 160 GLN HB2 H 2.066 0.030 2 1638 160 160 GLN HB3 H 1.983 0.030 2 1639 160 160 GLN HG2 H 2.332 0.030 1 1640 160 160 GLN HG3 H 2.332 0.030 1 1641 160 160 GLN C C 176.011 0.300 1 1642 160 160 GLN CA C 56.010 0.300 1 1643 160 160 GLN CB C 29.434 0.300 1 1644 160 160 GLN CG C 33.796 0.300 1 1645 160 160 GLN N N 121.591 0.300 1 1646 161 161 SER HA H 4.346 0.030 1 1647 161 161 SER HB2 H 3.807 0.030 2 1648 161 161 SER HB3 H 3.867 0.030 2 1649 161 161 SER CA C 58.407 0.300 1 1650 161 161 SER CB C 63.988 0.300 1 1651 162 162 SER H H 8.359 0.030 1 1652 162 162 SER HA H 4.467 0.030 1 1653 162 162 SER HB2 H 3.877 0.030 2 1654 162 162 SER HB3 H 3.831 0.030 2 1655 162 162 SER C C 174.818 0.300 1 1656 162 162 SER CA C 58.741 0.300 1 1657 162 162 SER CB C 64.052 0.300 1 1658 162 162 SER N N 117.710 0.300 1 1659 163 163 SER H H 8.282 0.030 1 1660 163 163 SER HA H 4.429 0.030 1 1661 163 163 SER HB2 H 3.856 0.030 2 1662 163 163 SER HB3 H 3.842 0.030 2 1663 163 163 SER CA C 58.691 0.300 1 1664 163 163 SER CB C 63.886 0.300 1 1665 163 163 SER N N 117.504 0.300 1 1666 164 164 GLN H H 8.245 0.030 1 1667 164 164 GLN HA H 4.288 0.030 1 1668 164 164 GLN HB2 H 1.958 0.030 2 1669 164 164 GLN HB3 H 2.082 0.030 2 1670 164 164 GLN HG2 H 2.320 0.030 1 1671 164 164 GLN HG3 H 2.320 0.030 1 1672 164 164 GLN C C 176.011 0.300 1 1673 164 164 GLN CA C 56.307 0.300 1 1674 164 164 GLN CB C 29.366 0.300 1 1675 164 164 GLN CG C 33.803 0.300 1 1676 164 164 GLN N N 121.800 0.300 1 1677 165 165 GLN H H 8.266 0.030 1 1678 165 165 GLN HA H 4.270 0.030 1 1679 165 165 GLN HB2 H 2.070 0.030 2 1680 165 165 GLN HB3 H 1.947 0.030 2 1681 165 165 GLN HG2 H 2.323 0.030 1 1682 165 165 GLN HG3 H 2.323 0.030 1 1683 165 165 GLN CA C 56.230 0.300 1 1684 165 165 GLN CB C 29.241 0.300 1 1685 165 165 GLN N N 121.149 0.300 1 1686 166 166 GLN HA H 4.335 0.030 1 1687 166 166 GLN HB2 H 2.074 0.030 2 1688 166 166 GLN HB3 H 1.964 0.030 2 1689 166 166 GLN HG2 H 2.324 0.030 1 1690 166 166 GLN HG3 H 2.324 0.030 1 1691 166 166 GLN C C 175.995 0.300 1 1692 166 166 GLN CA C 56.030 0.300 1 1693 166 166 GLN CB C 29.388 0.300 1 1694 166 166 GLN CG C 33.781 0.300 1 1695 167 167 SER H H 8.327 0.030 1 1696 167 167 SER HA H 4.459 0.030 1 1697 167 167 SER HB2 H 3.863 0.030 2 1698 167 167 SER HB3 H 3.831 0.030 2 1699 167 167 SER C C 174.425 0.300 1 1700 167 167 SER CA C 58.406 0.300 1 1701 167 167 SER CB C 63.988 0.300 1 1702 167 167 SER N N 117.037 0.300 1 1703 168 168 SER H H 8.296 0.030 1 1704 168 168 SER HA H 4.457 0.030 1 1705 168 168 SER HB2 H 3.831 0.030 2 1706 168 168 SER HB3 H 3.849 0.030 2 1707 168 168 SER C C 173.444 0.300 1 1708 168 168 SER CA C 58.371 0.300 1 1709 168 168 SER CB C 63.964 0.300 1 1710 168 168 SER N N 118.183 0.300 1 1711 169 169 ARG H H 7.917 0.030 1 1712 169 169 ARG HA H 4.148 0.030 1 1713 169 169 ARG HB2 H 1.797 0.030 2 1714 169 169 ARG HB3 H 1.811 0.030 2 1715 169 169 ARG HG2 H 1.684 0.030 2 1716 169 169 ARG HG3 H 1.565 0.030 2 1717 169 169 ARG HD2 H 3.146 0.030 1 1718 169 169 ARG HD3 H 3.146 0.030 1 1719 169 169 ARG C C 180.884 0.300 1 1720 169 169 ARG CA C 58.860 0.300 1 1721 169 169 ARG CB C 31.516 0.300 1 1722 169 169 ARG CG C 31.514 0.300 1 1723 169 169 ARG N N 127.592 0.300 1 stop_ save_