data_18121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignments for CdnLNt from Myxoccoccus xanthus ; _BMRB_accession_number 18121 _BMRB_flat_file_name bmr18121.str _Entry_type original _Submission_date 2011-12-07 _Accession_date 2011-12-07 _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 Jimenez 'M. Angeles' . . 2 Padmanabhan S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 538 "13C chemical shifts" 431 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15977 'CdnL C-terminal domain 55-164 residues' 18151 'CdnL 1-164 residues' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N assignments of CdnL, an essential protein in Myxococcus xanthus.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22392343 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mirassou Yasmina . . 2 Elias-Arnanz Montserrat . . 3 Padmanabhan S. . . 4 Jimenez 'M. Angeles' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 55 _Year 2013 _Details . loop_ _Keyword CarD_TRCF CdnL 'Myxococcus xanthus' PF02559 'RNA polymerase interacting domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CdnL N-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CdnLNt $CdnL_N-terminal_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Interacts with the beta subunit of RNA polymerase.' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CdnL_N-terminal_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CdnL_N-terminal_domain _Molecular_mass 7776.9 _Mol_thiol_state 'not present' loop_ _Biological_function 'RNA polymerase interacting domain of CdnL' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; AGHMQTSFKTGDKAVYPGQG VGEVMGIEHTEVAGQRQSFY VLRILENGMRIMIPINKVGS VGLREIISEED ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLY 3 HIS 4 MET 5 GLN 6 THR 7 SER 8 PHE 9 LYS 10 THR 11 GLY 12 ASP 13 LYS 14 ALA 15 VAL 16 TYR 17 PRO 18 GLY 19 GLN 20 GLY 21 VAL 22 GLY 23 GLU 24 VAL 25 MET 26 GLY 27 ILE 28 GLU 29 HIS 30 THR 31 GLU 32 VAL 33 ALA 34 GLY 35 GLN 36 ARG 37 GLN 38 SER 39 PHE 40 TYR 41 VAL 42 LEU 43 ARG 44 ILE 45 LEU 46 GLU 47 ASN 48 GLY 49 MET 50 ARG 51 ILE 52 MET 53 ILE 54 PRO 55 ILE 56 ASN 57 LYS 58 VAL 59 GLY 60 SER 61 VAL 62 GLY 63 LEU 64 ARG 65 GLU 66 ILE 67 ILE 68 SER 69 GLU 70 GLU 71 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18151 CdnL 98.59 167 98.57 98.57 2.14e-41 PDB 2LT4 "Cdnlnt From Myxoccoccus Xanthus" 100.00 71 100.00 100.00 1.39e-42 PDB 2LWJ "Nmr Solution Structure Myxoccoccus Xanthus Cdnl" 98.59 167 98.57 98.57 2.14e-41 GB ABF89955 "transcriptional regulator, CarD family [Myxococcus xanthus DK 1622]" 95.77 164 100.00 100.00 3.17e-40 GB ADO71151 "Transcriptional regulator, CarD domain protein [Stigmatella aurantiaca DW4/3-1]" 95.77 165 98.53 98.53 3.52e-39 GB AEI66063 "CarD family transcriptional regulator CdnL [Myxococcus fulvus HW-1]" 95.77 164 100.00 100.00 3.50e-40 GB AFE08291 "CarD family transcriptional regulator CdnL [Corallococcus coralloides DSM 2259]" 95.77 164 100.00 100.00 3.42e-40 GB AGC44335 "CarD family transcriptional regulator CdnL [Myxococcus stipitatus DSM 14675]" 95.77 164 100.00 100.00 3.77e-40 REF WP_002617724 "CarD family transcriptional regulator [Stigmatella aurantiaca]" 95.77 165 98.53 98.53 3.52e-39 REF WP_002625147 "hypothetical protein [Cystobacter fuscus]" 95.77 164 100.00 100.00 3.31e-40 REF WP_002639129 "CarD family transcriptional regulator [Myxococcus sp. (contaminant ex DSM 436)]" 95.77 164 100.00 100.00 3.86e-40 REF WP_011552697 "CarD family transcriptional regulator [Myxococcus xanthus]" 95.77 164 100.00 100.00 3.17e-40 REF WP_013939202 "MULTISPECIES: CarD family transcriptional regulator [Cystobacterineae]" 95.77 164 100.00 100.00 3.50e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CdnL_N-terminal_domain 'Myxoccoccus xanthus' 34 Bacteria . Myxoccoccus xanthus cdnL 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 $CdnL_N-terminal_domain 'recombinant technology' . Escherichia coli . pTYB12 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 $CdnL_N-terminal_domain 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL_N-terminal_domain 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL_N-terminal_domain 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL_N-terminal_domain 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL_N-terminal_domain 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DSS 0.25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_3D_HNCA_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_5 save_ save_3D_CBCA(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_5 save_ save_3D_HBHA(CO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.0 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.0 0.1 pH pressure 1 . atm temperature 288 0.1 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 '1H, 13C and 15N chemical shifts at 25 C' loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '2D 1H-13C HSQC aliphatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' 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 CdnLNt _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.067 0.01 1 2 1 1 ALA HB H 1.507 0.01 1 3 1 1 ALA CA C 51.840 0.1 1 4 1 1 ALA CB C 19.600 0.1 1 5 3 3 HIS HA H 4.648 0.01 1 6 3 3 HIS HB2 H 3.086 0.01 2 7 3 3 HIS HB3 H 3.123 0.01 2 8 3 3 HIS HD2 H 7.002 0.01 1 9 3 3 HIS HE1 H 7.786 0.01 1 10 3 3 HIS C C 175.379 0.1 1 11 3 3 HIS CA C 56.307 0.1 1 12 3 3 HIS CB C 30.978 0.1 1 13 4 4 MET H H 8.393 0.01 1 14 4 4 MET HA H 4.464 0.01 1 15 4 4 MET HB2 H 1.986 0.01 2 16 4 4 MET HB3 H 2.059 0.01 2 17 4 4 MET HG2 H 2.447 0.01 2 18 4 4 MET HG3 H 2.519 0.01 2 19 4 4 MET HE H 2.083 0.01 1 20 4 4 MET C C 175.816 0.1 1 21 4 4 MET CA C 55.377 0.1 1 22 4 4 MET CB C 32.961 0.1 1 23 4 4 MET CG C 31.856 0.1 1 24 4 4 MET CE C 16.942 0.1 1 25 4 4 MET N N 121.987 0.1 1 26 5 5 GLN H H 8.518 0.01 1 27 5 5 GLN HA H 4.390 0.01 1 28 5 5 GLN HB2 H 1.997 0.01 2 29 5 5 GLN HB3 H 2.083 0.01 2 30 5 5 GLN HG2 H 2.310 0.01 2 31 5 5 GLN HG3 H 2.310 0.01 2 32 5 5 GLN HE21 H 6.875 0.01 2 33 5 5 GLN HE22 H 7.498 0.01 2 34 5 5 GLN C C 175.809 0.1 1 35 5 5 GLN CA C 55.852 0.1 1 36 5 5 GLN CB C 29.508 0.1 1 37 5 5 GLN CG C 33.611 0.1 1 38 5 5 GLN CD C 180.399 0.1 1 39 5 5 GLN N N 122.534 0.1 1 40 5 5 GLN NE2 N 112.270 0.1 1 41 6 6 THR H H 8.213 0.01 1 42 6 6 THR HA H 4.307 0.01 1 43 6 6 THR HB H 4.174 0.01 1 44 6 6 THR HG2 H 1.033 0.01 1 45 6 6 THR C C 173.984 0.1 1 46 6 6 THR CA C 61.740 0.1 1 47 6 6 THR CB C 69.765 0.1 1 48 6 6 THR CG2 C 21.615 0.1 1 49 6 6 THR N N 115.975 0.1 1 50 7 7 SER H H 8.079 0.01 1 51 7 7 SER HA H 4.469 0.01 1 52 7 7 SER HB2 H 3.764 0.01 2 53 7 7 SER HB3 H 3.764 0.01 2 54 7 7 SER C C 172.919 0.1 1 55 7 7 SER CA C 57.955 0.1 1 56 7 7 SER CB C 64.096 0.1 1 57 7 7 SER N N 118.179 0.1 1 58 8 8 PHE H H 7.617 0.01 1 59 8 8 PHE HA H 4.759 0.01 1 60 8 8 PHE HB2 H 2.173 0.01 2 61 8 8 PHE HB3 H 2.846 0.01 2 62 8 8 PHE HD1 H 6.888 0.01 3 63 8 8 PHE HD2 H 6.888 0.01 3 64 8 8 PHE HE1 H 7.028 0.01 3 65 8 8 PHE HE2 H 7.028 0.01 3 66 8 8 PHE C C 174.477 0.1 1 67 8 8 PHE CA C 57.398 0.1 1 68 8 8 PHE CB C 41.922 0.1 1 69 8 8 PHE N N 119.651 0.1 1 70 9 9 LYS H H 9.090 0.01 1 71 9 9 LYS HA H 4.714 0.01 1 72 9 9 LYS HB2 H 1.823 0.01 2 73 9 9 LYS HB3 H 1.865 0.01 2 74 9 9 LYS HG2 H 1.370 0.01 2 75 9 9 LYS HG3 H 1.573 0.01 2 76 9 9 LYS HD2 H 1.716 0.01 2 77 9 9 LYS HD3 H 1.716 0.01 2 78 9 9 LYS HE2 H 3.071 0.01 2 79 9 9 LYS HE3 H 3.071 0.01 2 80 9 9 LYS C C 175.717 0.1 1 81 9 9 LYS CA C 54.071 0.1 1 82 9 9 LYS CB C 35.234 0.1 1 83 9 9 LYS CG C 23.608 0.1 1 84 9 9 LYS CD C 28.913 0.1 1 85 9 9 LYS CE C 41.960 0.1 1 86 9 9 LYS N N 121.327 0.1 1 87 10 10 THR H H 8.353 0.01 1 88 10 10 THR HA H 3.658 0.01 1 89 10 10 THR HB H 3.996 0.01 1 90 10 10 THR HG2 H 1.222 0.01 1 91 10 10 THR CA C 65.409 0.1 1 92 10 10 THR CB C 68.545 0.1 1 93 10 10 THR CG2 C 22.103 0.1 1 94 10 10 THR N N 116.728 0.1 1 95 11 11 GLY H H 9.398 0.01 1 96 11 11 GLY HA2 H 3.878 0.01 2 97 11 11 GLY HA3 H 4.507 0.01 2 98 11 11 GLY C C 174.855 0.1 1 99 11 11 GLY CA C 44.771 0.1 1 100 11 11 GLY N N 117.215 0.1 1 101 12 12 ASP H H 8.252 0.01 1 102 12 12 ASP HA H 4.687 0.01 1 103 12 12 ASP HB2 H 2.851 0.01 2 104 12 12 ASP HB3 H 2.962 0.01 2 105 12 12 ASP C C 175.345 0.1 1 106 12 12 ASP CA C 55.283 0.1 1 107 12 12 ASP CB C 41.723 0.1 1 108 12 12 ASP N N 122.005 0.1 1 109 13 13 LYS H H 8.509 0.01 1 110 13 13 LYS HA H 5.435 0.01 1 111 13 13 LYS HB2 H 1.651 0.01 2 112 13 13 LYS HB3 H 1.802 0.01 2 113 13 13 LYS HG2 H 1.394 0.01 2 114 13 13 LYS HG3 H 1.630 0.01 2 115 13 13 LYS HD2 H 1.630 0.01 2 116 13 13 LYS HD3 H 1.630 0.01 2 117 13 13 LYS HE2 H 2.952 0.01 2 118 13 13 LYS HE3 H 2.991 0.01 2 119 13 13 LYS C C 175.681 0.1 1 120 13 13 LYS CA C 54.568 0.1 1 121 13 13 LYS CB C 34.903 0.1 1 122 13 13 LYS CG C 25.854 0.1 1 123 13 13 LYS CD C 28.919 0.1 1 124 13 13 LYS CE C 42.041 0.1 1 125 13 13 LYS N N 118.600 0.1 1 126 14 14 ALA H H 8.748 0.01 1 127 14 14 ALA HA H 4.784 0.01 1 128 14 14 ALA HB H 0.820 0.01 1 129 14 14 ALA C C 175.135 0.1 1 130 14 14 ALA CA C 50.927 0.1 1 131 14 14 ALA CB C 23.331 0.1 1 132 14 14 ALA N N 122.074 0.1 1 133 15 15 VAL H H 8.972 0.01 1 134 15 15 VAL HA H 4.239 0.01 1 135 15 15 VAL HB H 1.862 0.01 1 136 15 15 VAL HG1 H 0.766 0.01 2 137 15 15 VAL HG2 H 0.902 0.01 2 138 15 15 VAL C C 174.714 0.1 1 139 15 15 VAL CA C 61.670 0.1 1 140 15 15 VAL CB C 33.602 0.1 1 141 15 15 VAL CG1 C 20.807 0.1 2 142 15 15 VAL CG2 C 21.920 0.1 2 143 15 15 VAL N N 119.565 0.1 1 144 16 16 TYR H H 8.564 0.01 1 145 16 16 TYR HA H 4.918 0.01 1 146 16 16 TYR HB2 H 2.398 0.01 2 147 16 16 TYR HB3 H 3.060 0.01 2 148 16 16 TYR HD1 H 6.775 0.01 3 149 16 16 TYR HD2 H 6.775 0.01 3 150 16 16 TYR HE1 H 6.773 0.01 3 151 16 16 TYR HE2 H 6.773 0.01 3 152 16 16 TYR CA C 53.934 0.1 1 153 16 16 TYR CB C 39.930 0.1 1 154 16 16 TYR CD1 C 132.404 0.1 3 155 16 16 TYR CE1 C 118.446 0.1 3 156 16 16 TYR N N 130.232 0.1 1 157 17 17 PRO HA H 4.180 0.01 1 158 17 17 PRO HB2 H 1.863 0.01 2 159 17 17 PRO HB3 H 2.223 0.01 2 160 17 17 PRO HG2 H 1.845 0.01 2 161 17 17 PRO HG3 H 2.033 0.01 2 162 17 17 PRO HD2 H 2.824 0.01 2 163 17 17 PRO HD3 H 3.791 0.01 2 164 17 17 PRO CA C 64.600 0.1 1 165 17 17 PRO CB C 31.756 0.1 1 166 17 17 PRO CG C 27.772 0.1 1 167 17 17 PRO CD C 51.378 0.1 1 168 18 18 GLY H H 7.963 0.01 1 169 18 18 GLY HA2 H 3.685 0.01 2 170 18 18 GLY HA3 H 4.339 0.01 2 171 18 18 GLY C C 174.377 0.1 1 172 18 18 GLY CA C 45.399 0.1 1 173 18 18 GLY N N 109.092 0.1 1 174 19 19 GLN H H 8.241 0.01 1 175 19 19 GLN HA H 4.417 0.01 1 176 19 19 GLN HB2 H 1.948 0.01 2 177 19 19 GLN HB3 H 2.036 0.01 2 178 19 19 GLN HG2 H 2.260 0.01 2 179 19 19 GLN HG3 H 2.260 0.01 2 180 19 19 GLN HE21 H 6.584 0.01 2 181 19 19 GLN HE22 H 7.333 0.01 2 182 19 19 GLN C C 175.578 0.1 1 183 19 19 GLN CA C 55.438 0.1 1 184 19 19 GLN N N 116.878 0.1 1 185 19 19 GLN NE2 N 110.378 0.1 1 186 20 20 GLY H H 8.227 0.01 1 187 20 20 GLY HA2 H 3.808 0.01 2 188 20 20 GLY HA3 H 4.564 0.01 2 189 20 20 GLY C C 172.782 0.1 1 190 20 20 GLY CA C 44.286 0.1 1 191 20 20 GLY N N 106.722 0.1 1 192 21 21 VAL H H 8.308 0.01 1 193 21 21 VAL HA H 4.243 0.01 1 194 21 21 VAL HB H 2.009 0.01 1 195 21 21 VAL HG1 H 0.966 0.01 2 196 21 21 VAL HG2 H 1.046 0.01 2 197 21 21 VAL C C 176.407 0.1 1 198 21 21 VAL CA C 63.538 0.1 1 199 21 21 VAL CB C 32.467 0.1 1 200 21 21 VAL CG1 C 21.702 0.1 2 201 21 21 VAL CG2 C 22.300 0.1 2 202 21 21 VAL N N 119.734 0.1 1 203 22 22 GLY H H 9.456 0.01 1 204 22 22 GLY HA2 H 3.278 0.01 2 205 22 22 GLY HA3 H 5.310 0.01 2 206 22 22 GLY C C 170.290 0.1 1 207 22 22 GLY CA C 44.679 0.1 1 208 22 22 GLY N N 115.030 0.1 1 209 23 23 GLU H H 8.773 0.01 1 210 23 23 GLU HA H 5.139 0.01 1 211 23 23 GLU HB2 H 1.835 0.01 2 212 23 23 GLU HB3 H 1.935 0.01 2 213 23 23 GLU HG2 H 2.068 0.01 2 214 23 23 GLU HG3 H 2.116 0.01 2 215 23 23 GLU CA C 53.414 0.1 1 216 23 23 GLU CB C 33.686 0.1 1 217 23 23 GLU CG C 36.471 0.1 1 218 23 23 GLU N N 119.135 0.1 1 219 24 24 VAL H H 9.240 0.01 1 220 24 24 VAL HA H 4.100 0.01 1 221 24 24 VAL HB H 2.319 0.01 1 222 24 24 VAL HG1 H 0.457 0.01 2 223 24 24 VAL HG2 H 0.799 0.01 2 224 24 24 VAL C C 176.553 0.1 1 225 24 24 VAL CA C 63.381 0.1 1 226 24 24 VAL CB C 30.750 0.1 1 227 24 24 VAL CG1 C 20.907 0.1 2 228 24 24 VAL CG2 C 21.306 0.1 2 229 24 24 VAL N N 126.888 0.1 1 230 25 25 MET H H 9.609 0.01 1 231 25 25 MET HA H 4.771 0.01 1 232 25 25 MET HB2 H 1.803 0.01 2 233 25 25 MET HB3 H 2.266 0.01 2 234 25 25 MET HG2 H 2.525 0.01 2 235 25 25 MET HG3 H 2.525 0.01 2 236 25 25 MET HE H 2.032 0.01 1 237 25 25 MET C C 176.588 0.1 1 238 25 25 MET CA C 54.684 0.1 1 239 25 25 MET CG C 31.840 0.1 1 240 25 25 MET CE C 15.757 0.1 1 241 25 25 MET N N 128.536 0.1 1 242 26 26 GLY H H 7.407 0.01 1 243 26 26 GLY HA2 H 3.989 0.01 2 244 26 26 GLY HA3 H 4.378 0.01 2 245 26 26 GLY C C 170.481 0.1 1 246 26 26 GLY CA C 44.370 0.1 1 247 26 26 GLY N N 105.637 0.1 1 248 27 27 ILE H H 8.171 0.01 1 249 27 27 ILE HA H 4.994 0.01 1 250 27 27 ILE HB H 1.510 0.01 1 251 27 27 ILE HG12 H 0.778 0.01 2 252 27 27 ILE HG13 H 1.491 0.01 2 253 27 27 ILE HG2 H 0.441 0.01 1 254 27 27 ILE HD1 H 0.863 0.01 1 255 27 27 ILE C C 175.707 0.1 1 256 27 27 ILE CA C 59.838 0.1 1 257 27 27 ILE CB C 40.656 0.1 1 258 27 27 ILE CG1 C 28.667 0.1 1 259 27 27 ILE CG2 C 17.497 0.1 1 260 27 27 ILE CD1 C 13.747 0.1 1 261 27 27 ILE N N 120.028 0.1 1 262 28 28 GLU H H 8.915 0.01 1 263 28 28 GLU HA H 4.533 0.01 1 264 28 28 GLU HB2 H 1.828 0.01 2 265 28 28 GLU HB3 H 1.828 0.01 2 266 28 28 GLU HG2 H 2.048 0.01 2 267 28 28 GLU HG3 H 2.048 0.01 2 268 28 28 GLU C C 174.365 0.1 1 269 28 28 GLU CA C 54.143 0.1 1 270 28 28 GLU CB C 33.545 0.1 1 271 28 28 GLU CG C 36.118 0.1 1 272 28 28 GLU N N 127.001 0.1 1 273 29 29 HIS H H 8.637 0.01 1 274 29 29 HIS HA H 5.625 0.01 1 275 29 29 HIS HB2 H 2.926 0.01 2 276 29 29 HIS HB3 H 2.926 0.01 2 277 29 29 HIS HD2 H 6.973 0.01 1 278 29 29 HIS HE1 H 7.559 0.01 1 279 29 29 HIS C C 175.808 0.1 1 280 29 29 HIS CA C 54.686 0.1 1 281 29 29 HIS CB C 32.923 0.1 1 282 29 29 HIS N N 121.642 0.1 1 283 30 30 THR H H 9.105 0.01 1 284 30 30 THR HA H 4.785 0.01 1 285 30 30 THR HB H 4.222 0.01 1 286 30 30 THR HG2 H 1.149 0.01 1 287 30 30 THR C C 173.084 0.1 1 288 30 30 THR CA C 60.321 0.1 1 289 30 30 THR CB C 71.149 0.1 1 290 30 30 THR CG2 C 20.994 0.1 1 291 30 30 THR N N 116.444 0.1 1 292 31 31 GLU H H 8.596 0.01 1 293 31 31 GLU HA H 4.981 0.01 1 294 31 31 GLU HB2 H 1.876 0.01 2 295 31 31 GLU HB3 H 1.918 0.01 2 296 31 31 GLU HG2 H 1.965 0.01 2 297 31 31 GLU HG3 H 2.044 0.01 2 298 31 31 GLU C C 175.552 0.1 1 299 31 31 GLU CA C 55.753 0.1 1 300 31 31 GLU CB C 31.733 0.1 1 301 31 31 GLU CG C 36.538 0.1 1 302 31 31 GLU N N 123.459 0.1 1 303 32 32 VAL H H 8.629 0.01 1 304 32 32 VAL HA H 4.208 0.01 1 305 32 32 VAL HB H 2.017 0.01 1 306 32 32 VAL HG1 H 0.966 0.01 2 307 32 32 VAL HG2 H 0.974 0.01 2 308 32 32 VAL C C 174.206 0.1 1 309 32 32 VAL CA C 61.837 0.1 1 310 32 32 VAL CB C 34.410 0.1 1 311 32 32 VAL CG1 C 20.582 0.1 2 312 32 32 VAL CG2 C 21.800 0.1 2 313 32 32 VAL N N 125.550 0.1 1 314 33 33 ALA H H 9.263 0.01 1 315 33 33 ALA HA H 4.077 0.01 1 316 33 33 ALA HB H 1.441 0.01 1 317 33 33 ALA C C 177.477 0.1 1 318 33 33 ALA CA C 52.866 0.1 1 319 33 33 ALA CB C 17.147 0.1 1 320 33 33 ALA N N 131.046 0.1 1 321 34 34 GLY H H 8.634 0.01 1 322 34 34 GLY HA2 H 3.677 0.01 2 323 34 34 GLY HA3 H 4.151 0.01 2 324 34 34 GLY C C 173.933 0.1 1 325 34 34 GLY CA C 45.396 0.1 1 326 34 34 GLY N N 104.050 0.1 1 327 35 35 GLN H H 7.922 0.01 1 328 35 35 GLN HA H 4.657 0.01 1 329 35 35 GLN HB2 H 2.022 0.01 2 330 35 35 GLN HB3 H 2.149 0.01 2 331 35 35 GLN HG2 H 2.314 0.01 2 332 35 35 GLN HG3 H 2.358 0.01 2 333 35 35 GLN HE21 H 6.876 0.01 2 334 35 35 GLN HE22 H 7.568 0.01 2 335 35 35 GLN C C 174.833 0.1 1 336 35 35 GLN CA C 53.940 0.1 1 337 35 35 GLN CB C 30.846 0.1 1 338 35 35 GLN CG C 33.526 0.1 1 339 35 35 GLN CD C 180.577 0.1 1 340 35 35 GLN N N 119.599 0.1 1 341 35 35 GLN NE2 N 112.349 0.1 1 342 36 36 ARG H H 8.774 0.01 1 343 36 36 ARG HA H 4.789 0.01 1 344 36 36 ARG HB2 H 1.782 0.01 2 345 36 36 ARG HB3 H 1.782 0.01 2 346 36 36 ARG HG2 H 1.532 0.01 2 347 36 36 ARG HG3 H 1.615 0.01 2 348 36 36 ARG HD2 H 3.023 0.01 2 349 36 36 ARG HD3 H 3.023 0.01 2 350 36 36 ARG C C 176.000 0.1 1 351 36 36 ARG CA C 56.455 0.1 1 352 36 36 ARG CB C 30.873 0.1 1 353 36 36 ARG CG C 27.590 0.1 1 354 36 36 ARG CD C 43.224 0.1 1 355 36 36 ARG N N 126.062 0.1 1 356 37 37 GLN H H 8.882 0.01 1 357 37 37 GLN HA H 4.640 0.01 1 358 37 37 GLN HB2 H 1.951 0.01 2 359 37 37 GLN HB3 H 1.951 0.01 2 360 37 37 GLN HG2 H 2.078 0.01 2 361 37 37 GLN HG3 H 2.197 0.01 2 362 37 37 GLN HE21 H 6.843 0.01 2 363 37 37 GLN HE22 H 7.323 0.01 2 364 37 37 GLN C C 174.558 0.1 1 365 37 37 GLN CA C 54.856 0.1 1 366 37 37 GLN CB C 32.000 0.1 1 367 37 37 GLN CG C 33.774 0.1 1 368 37 37 GLN CD C 180.060 0.1 1 369 37 37 GLN N N 126.046 0.1 1 370 37 37 GLN NE2 N 111.562 0.1 1 371 38 38 SER H H 8.282 0.01 1 372 38 38 SER HA H 5.511 0.01 1 373 38 38 SER HB2 H 3.355 0.01 2 374 38 38 SER HB3 H 3.600 0.01 2 375 38 38 SER C C 173.586 0.1 1 376 38 38 SER CA C 58.045 0.1 1 377 38 38 SER CB C 64.438 0.1 1 378 38 38 SER N N 118.183 0.1 1 379 39 39 PHE H H 9.150 0.01 1 380 39 39 PHE HA H 5.057 0.01 1 381 39 39 PHE HB2 H 2.487 0.01 2 382 39 39 PHE HB3 H 2.716 0.01 2 383 39 39 PHE HD1 H 6.818 0.01 3 384 39 39 PHE HD2 H 6.818 0.01 3 385 39 39 PHE HE1 H 7.242 0.01 3 386 39 39 PHE HE2 H 7.242 0.01 3 387 39 39 PHE HZ H 7.197 0.01 1 388 39 39 PHE C C 175.953 0.1 1 389 39 39 PHE CA C 56.509 0.1 1 390 39 39 PHE CB C 43.021 0.1 1 391 39 39 PHE N N 121.625 0.1 1 392 40 40 TYR H H 9.266 0.01 1 393 40 40 TYR HA H 4.952 0.01 1 394 40 40 TYR HB2 H 2.740 0.01 2 395 40 40 TYR HB3 H 2.795 0.01 2 396 40 40 TYR HD1 H 6.912 0.01 3 397 40 40 TYR HD2 H 6.912 0.01 3 398 40 40 TYR HE1 H 7.019 0.01 3 399 40 40 TYR HE2 H 7.019 0.01 3 400 40 40 TYR CA C 58.598 0.1 1 401 40 40 TYR CB C 40.424 0.1 1 402 40 40 TYR CD1 C 132.534 0.1 3 403 40 40 TYR CE1 C 119.618 0.1 3 404 40 40 TYR N N 119.810 0.1 1 405 41 41 VAL H H 8.480 0.01 1 406 41 41 VAL HA H 4.500 0.01 1 407 41 41 VAL HB H 1.859 0.01 1 408 41 41 VAL HG1 H 0.711 0.01 2 409 41 41 VAL HG2 H 0.804 0.01 2 410 41 41 VAL CA C 61.881 0.1 1 411 41 41 VAL CB C 32.072 0.1 1 412 41 41 VAL CG1 C 21.009 0.1 2 413 41 41 VAL CG2 C 21.061 0.1 2 414 41 41 VAL N N 117.463 0.1 1 415 42 42 LEU H H 9.270 0.01 1 416 42 42 LEU HA H 4.969 0.01 1 417 42 42 LEU HB2 H 1.008 0.01 2 418 42 42 LEU HB3 H 1.745 0.01 2 419 42 42 LEU HG H 1.173 0.01 1 420 42 42 LEU HD1 H 0.547 0.01 2 421 42 42 LEU HD2 H 0.674 0.01 2 422 42 42 LEU CA C 52.829 0.1 1 423 42 42 LEU CB C 46.057 0.1 1 424 42 42 LEU CG C 27.953 0.1 1 425 42 42 LEU CD1 C 24.737 0.1 2 426 42 42 LEU CD2 C 27.068 0.1 2 427 43 43 ARG H H 9.035 0.01 1 428 43 43 ARG HA H 5.097 0.01 1 429 43 43 ARG HB2 H 1.467 0.01 2 430 43 43 ARG HB3 H 2.071 0.01 2 431 43 43 ARG HG2 H 1.255 0.01 2 432 43 43 ARG HG3 H 1.325 0.01 2 433 43 43 ARG HD2 H 3.117 0.01 2 434 43 43 ARG HD3 H 3.320 0.01 2 435 43 43 ARG CA C 53.795 0.1 1 436 43 43 ARG CB C 32.948 0.1 1 437 43 43 ARG CG C 27.466 0.1 1 438 43 43 ARG CD C 43.463 0.1 1 439 43 43 ARG N N 126.811 0.1 1 440 44 44 ILE H H 9.343 0.01 1 441 44 44 ILE HA H 4.219 0.01 1 442 44 44 ILE HB H 2.597 0.01 1 443 44 44 ILE HG12 H 1.280 0.01 2 444 44 44 ILE HG13 H 1.535 0.01 2 445 44 44 ILE HG2 H 1.009 0.01 1 446 44 44 ILE HD1 H 0.462 0.01 1 447 44 44 ILE C C 177.891 0.1 1 448 44 44 ILE CA C 59.243 0.1 1 449 44 44 ILE CB C 34.763 0.1 1 450 44 44 ILE CG1 C 26.161 0.1 1 451 44 44 ILE CG2 C 18.610 0.1 1 452 44 44 ILE CD1 C 8.761 0.1 1 453 44 44 ILE N N 129.931 0.1 1 454 45 45 LEU H H 8.523 0.01 1 455 45 45 LEU HA H 3.994 0.01 1 456 45 45 LEU HB2 H 1.570 0.01 2 457 45 45 LEU HB3 H 1.773 0.01 2 458 45 45 LEU HG H 1.737 0.01 1 459 45 45 LEU HD1 H 0.919 0.01 2 460 45 45 LEU HD2 H 0.913 0.01 2 461 45 45 LEU CA C 58.558 0.1 1 462 45 45 LEU CB C 40.948 0.1 1 463 45 45 LEU CG C 28.003 0.1 1 464 45 45 LEU CD1 C 22.987 0.1 2 465 45 45 LEU CD2 C 25.432 0.1 2 466 45 45 LEU N N 128.466 0.1 1 467 46 46 GLU H H 8.816 0.01 1 468 46 46 GLU HA H 4.051 0.01 1 469 46 46 GLU HB2 H 1.901 0.01 2 470 46 46 GLU HB3 H 2.125 0.01 2 471 46 46 GLU HG2 H 2.275 0.01 2 472 46 46 GLU HG3 H 2.275 0.01 2 473 46 46 GLU C C 176.639 0.1 1 474 46 46 GLU CA C 59.271 0.1 1 475 46 46 GLU CB C 30.280 0.1 1 476 46 46 GLU CG C 35.390 0.1 1 477 46 46 GLU N N 116.734 0.1 1 478 47 47 ASN H H 6.675 0.01 1 479 47 47 ASN HA H 4.923 0.01 1 480 47 47 ASN HB2 H 2.753 0.01 2 481 47 47 ASN HB3 H 3.136 0.01 2 482 47 47 ASN HD21 H 6.791 0.01 2 483 47 47 ASN HD22 H 7.456 0.01 2 484 47 47 ASN C C 176.748 0.1 1 485 47 47 ASN CA C 51.974 0.1 1 486 47 47 ASN CB C 39.906 0.1 1 487 47 47 ASN N N 109.195 0.1 1 488 47 47 ASN ND2 N 110.326 0.1 1 489 48 48 GLY H H 8.280 0.01 1 490 48 48 GLY HA2 H 3.699 0.01 2 491 48 48 GLY HA3 H 4.111 0.01 2 492 48 48 GLY C C 174.202 0.1 1 493 48 48 GLY CA C 46.205 0.1 1 494 48 48 GLY N N 110.095 0.1 1 495 49 49 MET H H 8.130 0.01 1 496 49 49 MET HA H 4.137 0.01 1 497 49 49 MET HB2 H 1.964 0.01 2 498 49 49 MET HB3 H 1.964 0.01 2 499 49 49 MET HG2 H 2.311 0.01 2 500 49 49 MET HG3 H 2.364 0.01 2 501 49 49 MET HE H 1.984 0.01 1 502 49 49 MET C C 174.714 0.1 1 503 49 49 MET CA C 56.792 0.1 1 504 49 49 MET CB C 31.635 0.1 1 505 49 49 MET CG C 31.773 0.1 1 506 49 49 MET CE C 16.864 0.1 1 507 49 49 MET N N 121.539 0.1 1 508 50 50 ARG H H 8.389 0.01 1 509 50 50 ARG HA H 5.163 0.01 1 510 50 50 ARG HB2 H 1.467 0.01 2 511 50 50 ARG HB3 H 1.678 0.01 2 512 50 50 ARG HG2 H 1.234 0.01 2 513 50 50 ARG HG3 H 1.234 0.01 2 514 50 50 ARG HD2 H 3.075 0.01 2 515 50 50 ARG HD3 H 3.075 0.01 2 516 50 50 ARG CA C 54.547 0.1 1 517 50 50 ARG CB C 32.005 0.1 1 518 50 50 ARG CG C 28.131 0.1 1 519 50 50 ARG CD C 43.479 0.1 1 520 50 50 ARG N N 123.746 0.1 1 521 51 51 ILE H H 9.152 0.01 1 522 51 51 ILE HA H 4.307 0.01 1 523 51 51 ILE HB H 1.481 0.01 1 524 51 51 ILE HG12 H 1.206 0.01 2 525 51 51 ILE HG13 H 0.800 0.01 2 526 51 51 ILE HG2 H 0.611 0.01 1 527 51 51 ILE HD1 H 0.278 0.01 1 528 51 51 ILE CB C 40.958 0.1 1 529 51 51 ILE CG1 C 27.227 0.1 1 530 51 51 ILE CG2 C 17.447 0.1 1 531 51 51 ILE CD1 C 13.201 0.1 1 532 51 51 ILE N N 125.075 0.1 1 533 52 52 MET H H 8.073 0.01 1 534 52 52 MET HA H 5.245 0.01 1 535 52 52 MET HB2 H 1.449 0.01 2 536 52 52 MET HB3 H 1.758 0.01 2 537 52 52 MET HG2 H 2.129 0.01 2 538 52 52 MET HG3 H 2.259 0.01 2 539 52 52 MET HE H 1.428 0.01 1 540 52 52 MET C C 175.973 0.1 1 541 52 52 MET CA C 53.867 0.1 1 542 52 52 MET CB C 33.219 0.1 1 543 52 52 MET CG C 32.148 0.1 1 544 52 52 MET CE C 16.421 0.1 1 545 52 52 MET N N 118.960 0.1 1 546 53 53 ILE H H 9.402 0.01 1 547 53 53 ILE HA H 4.878 0.01 1 548 53 53 ILE HB H 2.013 0.01 1 549 53 53 ILE HG12 H 1.194 0.01 2 550 53 53 ILE HG13 H 1.592 0.01 2 551 53 53 ILE HG2 H 1.070 0.01 1 552 53 53 ILE HD1 H 0.802 0.01 1 553 53 53 ILE CA C 57.975 0.1 1 554 53 53 ILE CB C 41.758 0.1 1 555 53 53 ILE CG1 C 27.783 0.1 1 556 53 53 ILE CG2 C 17.636 0.1 1 557 53 53 ILE CD1 C 15.626 0.1 1 558 53 53 ILE N N 125.522 0.1 1 559 54 54 PRO HA H 4.275 0.01 1 560 54 54 PRO HB2 H 1.848 0.01 2 561 54 54 PRO HB3 H 2.276 0.01 2 562 54 54 PRO HG2 H 2.120 0.01 2 563 54 54 PRO HG3 H 2.255 0.01 2 564 54 54 PRO HD2 H 3.806 0.01 2 565 54 54 PRO HD3 H 4.220 0.01 2 566 54 54 PRO C C 178.209 0.1 1 567 54 54 PRO CA C 63.361 0.1 1 568 54 54 PRO CB C 32.344 0.1 1 569 54 54 PRO CG C 28.090 0.1 1 570 54 54 PRO CD C 51.492 0.1 1 571 55 55 ILE H H 7.829 0.01 1 572 55 55 ILE HA H 3.893 0.01 1 573 55 55 ILE HB H 1.535 0.01 1 574 55 55 ILE HG12 H 0.644 0.01 2 575 55 55 ILE HG13 H 1.226 0.01 2 576 55 55 ILE HG2 H 0.579 0.01 1 577 55 55 ILE HD1 H 0.491 0.01 1 578 55 55 ILE CA C 64.564 0.1 1 579 55 55 ILE CB C 37.909 0.1 1 580 55 55 ILE CG1 C 27.486 0.1 1 581 55 55 ILE CG2 C 16.930 0.1 1 582 55 55 ILE CD1 C 13.626 0.1 1 583 55 55 ILE N N 121.681 0.1 1 584 56 56 ASN HA H 4.797 0.01 1 585 56 56 ASN HB2 H 2.891 0.01 2 586 56 56 ASN HB3 H 2.981 0.01 2 587 56 56 ASN HD21 H 6.909 0.01 2 588 56 56 ASN HD22 H 7.639 0.01 2 589 56 56 ASN CA C 53.387 0.1 1 590 56 56 ASN CB C 37.719 0.1 1 591 56 56 ASN CG C 177.173 0.1 1 592 56 56 ASN ND2 N 112.148 0.1 1 593 57 57 LYS HA H 3.938 0.01 1 594 57 57 LYS HB2 H 1.872 0.01 2 595 57 57 LYS HB3 H 1.872 0.01 2 596 57 57 LYS HG2 H 1.417 0.01 2 597 57 57 LYS HG3 H 1.417 0.01 2 598 57 57 LYS HD2 H 1.705 0.01 2 599 57 57 LYS HD3 H 1.705 0.01 2 600 57 57 LYS HE2 H 3.011 0.01 2 601 57 57 LYS HE3 H 3.011 0.01 2 602 57 57 LYS C C 176.819 0.1 1 603 57 57 LYS CA C 55.780 0.1 1 604 57 57 LYS CB C 35.718 0.1 1 605 57 57 LYS CG C 23.835 0.1 1 606 57 57 LYS CD C 29.095 0.1 1 607 57 57 LYS CE C 41.935 0.1 1 608 58 58 VAL H H 7.625 0.01 1 609 58 58 VAL HA H 3.882 0.01 1 610 58 58 VAL HB H 2.210 0.01 1 611 58 58 VAL HG1 H 1.100 0.01 2 612 58 58 VAL HG2 H 1.102 0.01 2 613 58 58 VAL CA C 64.775 0.1 1 614 58 58 VAL CB C 32.239 0.1 1 615 58 58 VAL CG1 C 21.629 0.1 2 616 58 58 VAL CG2 C 21.349 0.1 2 617 58 58 VAL N N 120.252 0.1 1 618 59 59 GLY H H 8.726 0.01 1 619 59 59 GLY HA2 H 4.024 0.01 2 620 59 59 GLY HA3 H 4.024 0.01 2 621 59 59 GLY C C 175.285 0.1 1 622 59 59 GLY CA C 45.877 0.1 1 623 59 59 GLY N N 109.724 0.1 1 624 60 60 SER H H 8.021 0.01 1 625 60 60 SER HA H 4.524 0.01 1 626 60 60 SER HB2 H 3.962 0.01 2 627 60 60 SER HB3 H 3.962 0.01 2 628 60 60 SER CA C 59.355 0.1 1 629 60 60 SER CB C 63.806 0.1 1 630 60 60 SER N N 115.858 0.1 1 631 61 61 VAL H H 7.911 0.01 1 632 61 61 VAL HA H 4.170 0.01 1 633 61 61 VAL HB H 2.209 0.01 1 634 61 61 VAL HG1 H 0.911 0.01 2 635 61 61 VAL HG2 H 1.008 0.01 2 636 61 61 VAL CA C 62.825 0.1 1 637 61 61 VAL CB C 32.241 0.1 1 638 61 61 VAL CG1 C 21.174 0.1 2 639 61 61 VAL CG2 C 20.802 0.1 2 640 61 61 VAL N N 118.248 0.1 1 641 62 62 GLY H H 8.700 0.01 1 642 62 62 GLY HA2 H 3.706 0.01 2 643 62 62 GLY HA3 H 4.128 0.01 2 644 62 62 GLY CA C 45.600 0.1 1 645 62 62 GLY N N 113.071 0.1 1 646 63 63 LEU H H 7.755 0.01 1 647 63 63 LEU HA H 4.496 0.01 1 648 63 63 LEU HB2 H 1.310 0.01 2 649 63 63 LEU HB3 H 1.441 0.01 2 650 63 63 LEU HG H 1.398 0.01 1 651 63 63 LEU HD1 H 0.491 0.01 2 652 63 63 LEU HD2 H 0.542 0.01 2 653 63 63 LEU CA C 55.397 0.1 1 654 63 63 LEU CB C 43.030 0.1 1 655 63 63 LEU CG C 26.767 0.1 1 656 63 63 LEU CD1 C 24.619 0.1 2 657 63 63 LEU CD2 C 25.209 0.1 2 658 63 63 LEU N N 119.789 0.1 1 659 64 64 ARG H H 8.334 0.01 1 660 64 64 ARG HA H 4.849 0.01 1 661 64 64 ARG HB2 H 1.743 0.01 2 662 64 64 ARG HB3 H 1.914 0.01 2 663 64 64 ARG HG2 H 1.681 0.01 2 664 64 64 ARG HG3 H 1.681 0.01 2 665 64 64 ARG HD2 H 3.209 0.01 2 666 64 64 ARG HD3 H 3.209 0.01 2 667 64 64 ARG C C 175.253 0.1 1 668 64 64 ARG CA C 54.665 0.1 1 669 64 64 ARG CB C 33.017 0.1 1 670 64 64 ARG CG C 26.881 0.1 1 671 64 64 ARG CD C 43.378 0.1 1 672 65 65 GLU H H 8.968 0.01 1 673 65 65 GLU HA H 4.518 0.01 1 674 65 65 GLU HB2 H 2.054 0.01 2 675 65 65 GLU HB3 H 2.110 0.01 2 676 65 65 GLU HG2 H 2.326 0.01 2 677 65 65 GLU HG3 H 2.326 0.01 2 678 65 65 GLU C C 176.881 0.1 1 679 65 65 GLU CA C 56.744 0.1 1 680 65 65 GLU CB C 30.643 0.1 1 681 65 65 GLU CG C 36.168 0.1 1 682 65 65 GLU N N 122.611 0.1 1 683 66 66 ILE H H 8.343 0.01 1 684 66 66 ILE HA H 4.195 0.01 1 685 66 66 ILE HB H 1.794 0.01 1 686 66 66 ILE HG12 H 1.146 0.01 2 687 66 66 ILE HG13 H 1.466 0.01 2 688 66 66 ILE HG2 H 0.861 0.01 1 689 66 66 ILE HD1 H 0.832 0.01 1 690 66 66 ILE C C 175.806 0.1 1 691 66 66 ILE CA C 61.020 0.1 1 692 66 66 ILE CB C 38.821 0.1 1 693 66 66 ILE CG1 C 27.549 0.1 1 694 66 66 ILE CG2 C 17.489 0.1 1 695 66 66 ILE CD1 C 13.449 0.1 1 696 66 66 ILE N N 121.763 0.1 1 697 67 67 ILE H H 8.366 0.01 1 698 67 67 ILE HA H 4.297 0.01 1 699 67 67 ILE HB H 1.885 0.01 1 700 67 67 ILE HG12 H 1.193 0.01 2 701 67 67 ILE HG13 H 1.476 0.01 2 702 67 67 ILE HG2 H 0.918 0.01 1 703 67 67 ILE HD1 H 0.857 0.01 1 704 67 67 ILE C C 176.067 0.1 1 705 67 67 ILE CA C 60.793 0.1 1 706 67 67 ILE CB C 38.768 0.1 1 707 67 67 ILE CG1 C 27.141 0.1 1 708 67 67 ILE CG2 C 17.544 0.1 1 709 67 67 ILE CD1 C 12.707 0.1 1 710 67 67 ILE N N 125.903 0.1 1 711 68 68 SER H H 8.482 0.01 1 712 68 68 SER HA H 4.519 0.01 1 713 68 68 SER HB2 H 3.860 0.01 2 714 68 68 SER HB3 H 3.860 0.01 2 715 68 68 SER C C 174.472 0.1 1 716 68 68 SER CA C 58.060 0.1 1 717 68 68 SER CB C 63.973 0.1 1 718 68 68 SER N N 120.578 0.1 1 719 69 69 GLU H H 8.613 0.01 1 720 69 69 GLU HA H 4.348 0.01 1 721 69 69 GLU HB2 H 1.937 0.01 2 722 69 69 GLU HB3 H 2.120 0.01 2 723 69 69 GLU HG2 H 2.276 0.01 2 724 69 69 GLU HG3 H 2.276 0.01 2 725 69 69 GLU C C 176.227 0.1 1 726 69 69 GLU CA C 56.708 0.1 1 727 69 69 GLU CB C 30.589 0.1 1 728 69 69 GLU CG C 36.259 0.1 1 729 69 69 GLU N N 123.469 0.1 1 730 70 70 GLU H H 8.328 0.01 1 731 70 70 GLU HA H 4.347 0.01 1 732 70 70 GLU HB2 H 1.893 0.01 2 733 70 70 GLU HB3 H 2.105 0.01 2 734 70 70 GLU HG2 H 2.259 0.01 2 735 70 70 GLU HG3 H 2.259 0.01 2 736 70 70 GLU C C 175.368 0.1 1 737 70 70 GLU CA C 56.387 0.1 1 738 70 70 GLU CB C 30.671 0.1 1 739 70 70 GLU CG C 36.259 0.1 1 740 70 70 GLU N N 121.351 0.1 1 741 71 71 ASP H H 7.964 0.01 1 742 71 71 ASP HA H 4.378 0.01 1 743 71 71 ASP HB2 H 2.564 0.01 2 744 71 71 ASP HB3 H 2.668 0.01 2 745 71 71 ASP CA C 56.082 0.1 1 746 71 71 ASP CB C 42.232 0.1 1 747 71 71 ASP N N 126.978 0.1 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details '1H, 13C and 15N chemical shifts for backbone atoms at 15 C.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CdnLNt _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 GLY HA2 H 3.982 0.01 2 2 2 2 GLY HA3 H 3.982 0.01 2 3 2 2 GLY CA C 45.135 0.1 1 4 3 3 HIS H H 8.473 0.01 1 5 3 3 HIS HA H 4.659 0.01 1 6 3 3 HIS HB2 H 3.090 0.01 2 7 3 3 HIS HB3 H 3.130 0.01 2 8 3 3 HIS C C 175.304 0.1 1 9 3 3 HIS CA C 56.261 0.1 1 10 3 3 HIS CB C 30.601 0.1 1 11 3 3 HIS N N 119.620 0.1 1 12 4 4 MET H H 8.489 0.01 1 13 4 4 MET HA H 4.464 0.01 1 14 4 4 MET HB2 H 1.980 0.01 2 15 4 4 MET HB3 H 2.054 0.01 2 16 4 4 MET C C 175.865 0.1 1 17 4 4 MET CA C 55.463 0.1 1 18 4 4 MET CB C 32.801 0.1 1 19 4 4 MET N N 122.289 0.1 1 20 5 5 GLN H H 8.604 0.01 1 21 5 5 GLN HA H 4.374 0.01 1 22 5 5 GLN HB2 H 1.975 0.01 2 23 5 5 GLN HB3 H 2.054 0.01 2 24 5 5 GLN HE21 H 6.931 0.01 2 25 5 5 GLN HE22 H 7.549 0.01 2 26 5 5 GLN C C 175.837 0.1 1 27 5 5 GLN CA C 55.870 0.1 1 28 5 5 GLN CB C 29.552 0.1 1 29 5 5 GLN CG C 33.671 0.1 1 30 5 5 GLN N N 122.842 0.1 1 31 5 5 GLN NE2 N 112.507 0.1 1 32 6 6 THR H H 8.313 0.01 1 33 6 6 THR HA H 4.285 0.01 1 34 6 6 THR HB H 4.176 0.01 1 35 6 6 THR C C 173.972 0.1 1 36 6 6 THR CA C 61.912 0.1 1 37 6 6 THR CB C 69.894 0.1 1 38 6 6 THR N N 116.334 0.1 1 39 7 7 SER H H 8.132 0.01 1 40 7 7 SER HA H 4.476 0.01 1 41 7 7 SER HB2 H 3.783 0.01 2 42 7 7 SER HB3 H 3.783 0.01 2 43 7 7 SER C C 172.823 0.1 1 44 7 7 SER CA C 57.891 0.1 1 45 7 7 SER CB C 64.345 0.1 1 46 7 7 SER N N 118.332 0.1 1 47 8 8 PHE H H 7.663 0.01 1 48 8 8 PHE C C 174.345 0.1 1 49 8 8 PHE CA C 57.553 0.1 1 50 8 8 PHE CB C 41.984 0.1 1 51 8 8 PHE N N 119.702 0.1 1 52 9 9 LYS H H 9.098 0.01 1 53 9 9 LYS HA H 4.714 0.01 1 54 9 9 LYS HB2 H 1.840 0.01 2 55 9 9 LYS HB3 H 1.840 0.01 2 56 9 9 LYS C C 175.671 0.1 1 57 9 9 LYS CA C 54.072 0.1 1 58 9 9 LYS CB C 35.377 0.1 1 59 9 9 LYS N N 121.152 0.1 1 60 10 10 THR H H 8.439 0.01 1 61 10 10 THR HA H 3.654 0.01 1 62 10 10 THR C C 175.699 0.1 1 63 10 10 THR CA C 65.571 0.1 1 64 10 10 THR CB C 68.656 0.1 1 65 10 10 THR N N 117.002 0.1 1 66 11 11 GLY H H 9.458 0.01 1 67 11 11 GLY HA2 H 3.885 0.01 2 68 11 11 GLY HA3 H 4.516 0.01 2 69 11 11 GLY C C 174.886 0.1 1 70 11 11 GLY CA C 44.823 0.1 1 71 11 11 GLY N N 117.451 0.1 1 72 12 12 ASP H H 8.287 0.01 1 73 12 12 ASP C C 175.266 0.1 1 74 12 12 ASP CA C 55.428 0.1 1 75 12 12 ASP CB C 41.679 0.1 1 76 12 12 ASP N N 122.138 0.1 1 77 13 13 LYS H H 8.574 0.01 1 78 13 13 LYS HA H 5.418 0.01 1 79 13 13 LYS C C 175.713 0.1 1 80 13 13 LYS CA C 54.572 0.1 1 81 13 13 LYS CB C 34.938 0.1 1 82 13 13 LYS N N 118.579 0.1 1 83 14 14 ALA H H 8.772 0.01 1 84 14 14 ALA HA H 4.723 0.01 1 85 14 14 ALA HB H 0.800 0.01 1 86 14 14 ALA C C 175.011 0.1 1 87 14 14 ALA CA C 50.933 0.1 1 88 14 14 ALA CB C 23.212 0.1 1 89 14 14 ALA N N 122.007 0.1 1 90 15 15 VAL H H 9.009 0.01 1 91 15 15 VAL C C 174.760 0.1 1 92 15 15 VAL CA C 61.679 0.1 1 93 15 15 VAL N N 119.530 0.1 1 94 16 16 TYR H H 8.574 0.01 1 95 16 16 TYR CA C 53.998 0.1 1 96 16 16 TYR N N 130.370 0.1 1 97 18 18 GLY H H 8.023 0.01 1 98 18 18 GLY HA2 H 3.691 0.01 2 99 18 18 GLY C C 174.371 0.1 1 100 18 18 GLY CA C 45.486 0.1 1 101 18 18 GLY N N 109.494 0.1 1 102 19 19 GLN H H 8.285 0.01 1 103 19 19 GLN HE21 H 6.653 0.01 2 104 19 19 GLN HE22 H 7.407 0.01 2 105 19 19 GLN C C 175.670 0.1 1 106 19 19 GLN CA C 55.370 0.1 1 107 19 19 GLN CB C 30.833 0.1 1 108 19 19 GLN N N 116.740 0.1 1 109 19 19 GLN NE2 N 110.735 0.1 1 110 20 20 GLY H H 8.247 0.01 1 111 20 20 GLY C C 172.792 0.1 1 112 20 20 GLY CA C 44.313 0.1 1 113 20 20 GLY N N 106.913 0.1 1 114 21 21 VAL H H 8.342 0.01 1 115 21 21 VAL HA H 4.225 0.01 1 116 21 21 VAL C C 176.486 0.1 1 117 21 21 VAL CA C 63.618 0.1 1 118 21 21 VAL N N 119.593 0.1 1 119 22 22 GLY H H 9.492 0.01 1 120 22 22 GLY C C 170.211 0.1 1 121 22 22 GLY CA C 44.800 0.1 1 122 22 22 GLY N N 115.093 0.1 1 123 23 23 GLU H H 8.780 0.01 1 124 23 23 GLU HA H 5.123 0.01 1 125 23 23 GLU C C 176.127 0.1 1 126 23 23 GLU CA C 53.449 0.1 1 127 23 23 GLU CB C 33.740 0.1 1 128 23 23 GLU N N 119.014 0.1 1 129 24 24 VAL H H 9.282 0.01 1 130 24 24 VAL C C 176.626 0.1 1 131 24 24 VAL CA C 63.541 0.1 1 132 24 24 VAL N N 126.960 0.1 1 133 25 25 MET H H 9.663 0.01 1 134 25 25 MET C C 176.651 0.1 1 135 25 25 MET CA C 54.509 0.1 1 136 25 25 MET CB C 31.244 0.1 1 137 25 25 MET N N 128.652 0.1 1 138 26 26 GLY H H 7.428 0.01 1 139 26 26 GLY HA2 H 4.026 0.01 2 140 26 26 GLY HA3 H 4.361 0.01 2 141 26 26 GLY C C 170.412 0.1 1 142 26 26 GLY CA C 44.503 0.1 1 143 26 26 GLY N N 105.798 0.1 1 144 27 27 ILE H H 8.228 0.01 1 145 27 27 ILE HA H 4.959 0.01 1 146 27 27 ILE C C 175.714 0.1 1 147 27 27 ILE CA C 59.862 0.1 1 148 27 27 ILE CB C 40.332 0.1 1 149 27 27 ILE N N 120.026 0.1 1 150 28 28 GLU H H 8.928 0.01 1 151 28 28 GLU C C 174.324 0.1 1 152 28 28 GLU CA C 54.158 0.1 1 153 28 28 GLU N N 126.984 0.1 1 154 29 29 HIS H H 8.707 0.01 1 155 29 29 HIS C C 175.792 0.1 1 156 29 29 HIS CA C 54.780 0.1 1 157 29 29 HIS N N 121.396 0.1 1 158 30 30 THR H H 9.157 0.01 1 159 30 30 THR C C 174.666 0.1 1 160 30 30 THR CA C 60.318 0.1 1 161 30 30 THR CB C 71.583 0.1 1 162 30 30 THR N N 116.323 0.1 1 163 31 31 GLU H H 8.681 0.01 1 164 31 31 GLU HA H 4.941 0.01 1 165 31 31 GLU HB2 H 1.872 0.01 2 166 31 31 GLU HB3 H 1.872 0.01 2 167 31 31 GLU C C 175.505 0.1 1 168 31 31 GLU CA C 55.832 0.1 1 169 31 31 GLU CB C 31.553 0.1 1 170 31 31 GLU N N 123.476 0.1 1 171 32 32 VAL H H 8.671 0.01 1 172 32 32 VAL C C 174.162 0.1 1 173 32 32 VAL CA C 61.972 0.1 1 174 32 32 VAL CB C 34.436 0.1 1 175 32 32 VAL N N 125.703 0.1 1 176 33 33 ALA H H 9.298 0.01 1 177 33 33 ALA C C 177.496 0.1 1 178 33 33 ALA CA C 52.976 0.1 1 179 33 33 ALA CB C 17.227 0.1 1 180 33 33 ALA N N 131.327 0.1 1 181 34 34 GLY H H 8.697 0.01 1 182 34 34 GLY HA2 H 3.678 0.01 2 183 34 34 GLY HA3 H 4.145 0.01 2 184 34 34 GLY C C 173.891 0.1 1 185 34 34 GLY CA C 45.462 0.1 1 186 34 34 GLY N N 104.042 0.1 1 187 35 35 GLN H H 7.933 0.01 1 188 35 35 GLN HE21 H 6.938 0.01 2 189 35 35 GLN HE22 H 7.637 0.01 2 190 35 35 GLN C C 174.808 0.1 1 191 35 35 GLN CA C 53.968 0.1 1 192 35 35 GLN CB C 30.834 0.1 1 193 35 35 GLN CG C 33.582 0.1 1 194 35 35 GLN N N 119.624 0.1 1 195 35 35 GLN NE2 N 112.725 0.1 1 196 36 36 ARG H H 8.850 0.01 1 197 36 36 ARG HE H 7.199 0.01 1 198 36 36 ARG C C 176.051 0.1 1 199 36 36 ARG CA C 56.596 0.1 1 200 36 36 ARG CB C 30.892 0.1 1 201 36 36 ARG CG C 27.521 0.1 1 202 36 36 ARG CD C 43.323 0.1 1 203 36 36 ARG CZ C 159.361 0.1 1 204 36 36 ARG N N 126.285 0.1 1 205 36 36 ARG NE N 84.206 0.1 1 206 37 37 GLN H H 8.916 0.01 1 207 37 37 GLN HE21 H 6.892 0.01 2 208 37 37 GLN HE22 H 7.390 0.01 2 209 37 37 GLN C C 174.560 0.1 1 210 37 37 GLN CA C 54.853 0.1 1 211 37 37 GLN N N 126.190 0.1 1 212 37 37 GLN NE2 N 111.988 0.1 1 213 38 38 SER H H 8.365 0.01 1 214 38 38 SER C C 173.615 0.1 1 215 38 38 SER CA C 58.181 0.1 1 216 38 38 SER CB C 64.783 0.1 1 217 38 38 SER N N 118.314 0.1 1 218 39 39 PHE H H 9.164 0.01 1 219 39 39 PHE C C 175.889 0.1 1 220 39 39 PHE CA C 56.546 0.1 1 221 39 39 PHE N N 121.604 0.1 1 222 40 40 TYR H H 9.290 0.01 1 223 40 40 TYR CA C 58.589 0.1 1 224 40 40 TYR N N 119.784 0.1 1 225 41 41 VAL H H 8.558 0.01 1 226 41 41 VAL N N 118.085 0.1 1 227 42 42 LEU C C 174.421 0.1 1 228 43 43 ARG H H 9.067 0.01 1 229 43 43 ARG HA H 5.074 0.01 1 230 43 43 ARG HE H 7.156 0.01 1 231 43 43 ARG C C 175.843 0.1 1 232 43 43 ARG CA C 53.885 0.1 1 233 43 43 ARG CD C 43.470 0.1 1 234 43 43 ARG CZ C 159.420 0.1 1 235 43 43 ARG N N 127.315 0.1 1 236 43 43 ARG NE N 83.222 0.1 1 237 44 44 ILE H H 9.394 0.01 1 238 44 44 ILE C C 177.914 0.1 1 239 44 44 ILE CA C 59.253 0.1 1 240 44 44 ILE N N 130.159 0.1 1 241 45 45 LEU H H 8.555 0.01 1 242 45 45 LEU C C 180.548 0.1 1 243 45 45 LEU CA C 58.618 0.1 1 244 45 45 LEU CB C 41.048 0.1 1 245 45 45 LEU N N 128.400 0.1 1 246 46 46 GLU H H 8.825 0.01 1 247 46 46 GLU C C 176.595 0.1 1 248 46 46 GLU CA C 59.327 0.1 1 249 46 46 GLU CB C 30.213 0.1 1 250 46 46 GLU N N 116.766 0.1 1 251 47 47 ASN H H 6.655 0.01 1 252 47 47 ASN HD21 H 6.845 0.01 2 253 47 47 ASN HD22 H 7.503 0.01 2 254 47 47 ASN C C 176.832 0.1 1 255 47 47 ASN CA C 52.007 0.1 1 256 47 47 ASN CB C 40.066 0.1 1 257 47 47 ASN N N 109.037 0.1 1 258 47 47 ASN ND2 N 110.530 0.1 1 259 48 48 GLY H H 8.308 0.01 1 260 48 48 GLY C C 174.104 0.1 1 261 48 48 GLY CA C 46.315 0.1 1 262 48 48 GLY N N 110.391 0.1 1 263 49 49 MET H H 8.167 0.01 1 264 49 49 MET C C 174.688 0.1 1 265 49 49 MET CA C 56.902 0.1 1 266 49 49 MET N N 121.848 0.1 1 267 50 50 ARG H H 8.464 0.01 1 268 50 50 ARG N N 124.143 0.1 1 269 51 51 ILE H H 9.188 0.01 1 270 51 51 ILE C C 174.175 0.1 1 271 51 51 ILE N N 125.286 0.1 1 272 52 52 MET H H 8.124 0.01 1 273 52 52 MET C C 176.027 0.1 1 274 52 52 MET CA C 59.950 0.1 1 275 52 52 MET N N 119.189 0.1 1 276 53 53 ILE H H 9.464 0.01 1 277 53 53 ILE CA C 58.036 0.1 1 278 53 53 ILE N N 125.960 0.1 1 279 54 54 PRO C C 178.157 0.1 1 280 54 54 PRO CA C 63.405 0.1 1 281 55 55 ILE H H 7.831 0.01 1 282 55 55 ILE CA C 64.501 0.1 1 283 55 55 ILE N N 121.825 0.1 1 284 56 56 ASN HD21 H 6.955 0.01 2 285 56 56 ASN HD22 H 7.696 0.01 2 286 56 56 ASN ND2 N 112.526 0.1 1 287 58 58 VAL C C 176.845 0.1 1 288 59 59 GLY H H 8.797 0.01 1 289 59 59 GLY C C 175.296 0.1 1 290 59 59 GLY CA C 45.962 0.1 1 291 59 59 GLY N N 110.068 0.1 1 292 60 60 SER H H 8.058 0.01 1 293 60 60 SER CA C 59.272 0.1 1 294 60 60 SER N N 116.013 0.1 1 295 61 61 VAL C C 176.845 0.1 1 296 62 62 GLY H H 8.764 0.01 1 297 62 62 GLY C C 174.250 0.1 1 298 62 62 GLY CA C 45.422 0.1 1 299 62 62 GLY N N 113.376 0.1 1 300 63 63 LEU H H 7.851 0.01 1 301 63 63 LEU CA C 55.313 0.1 1 302 63 63 LEU N N 119.685 0.1 1 303 64 64 ARG HE H 7.322 0.01 1 304 64 64 ARG C C 175.215 0.1 1 305 64 64 ARG CA C 54.750 0.1 1 306 64 64 ARG CB C 33.015 0.1 1 307 64 64 ARG CG C 26.775 0.1 1 308 64 64 ARG CD C 43.462 0.1 1 309 64 64 ARG CZ C 159.490 0.1 1 310 64 64 ARG NE N 84.624 0.1 1 311 65 65 GLU H H 8.999 0.01 1 312 65 65 GLU HA H 4.521 0.01 1 313 65 65 GLU HB3 H 2.069 0.01 2 314 65 65 GLU C C 176.086 0.1 1 315 65 65 GLU CA C 56.657 0.1 1 316 65 65 GLU CB C 30.516 0.1 1 317 65 65 GLU N N 122.597 0.1 1 318 66 66 ILE H H 8.453 0.01 1 319 66 66 ILE HA H 4.155 0.01 1 320 66 66 ILE HB H 1.786 0.01 1 321 66 66 ILE C C 175.897 0.1 1 322 66 66 ILE CA C 61.118 0.1 1 323 66 66 ILE CB C 38.745 0.1 1 324 66 66 ILE N N 122.060 0.1 1 325 67 67 ILE H H 8.468 0.01 1 326 67 67 ILE HA H 4.289 0.01 1 327 67 67 ILE HB H 1.876 0.01 1 328 67 67 ILE C C 176.118 0.1 1 329 67 67 ILE CA C 60.729 0.1 1 330 67 67 ILE CB C 38.712 0.1 1 331 67 67 ILE N N 126.358 0.1 1 332 68 68 SER H H 8.574 0.01 1 333 68 68 SER HA H 4.502 0.01 1 334 68 68 SER HB2 H 3.857 0.01 2 335 68 68 SER HB3 H 3.857 0.01 2 336 68 68 SER C C 174.525 0.1 1 337 68 68 SER CA C 58.232 0.1 1 338 68 68 SER CB C 64.031 0.1 1 339 68 68 SER N N 120.963 0.1 1 340 69 69 GLU H H 8.694 0.01 1 341 69 69 GLU HA H 4.338 0.01 1 342 69 69 GLU HB2 H 1.938 0.01 2 343 69 69 GLU HB3 H 2.124 0.01 2 344 69 69 GLU C C 176.262 0.1 1 345 69 69 GLU CA C 56.808 0.1 1 346 69 69 GLU CB C 30.319 0.1 1 347 69 69 GLU N N 123.560 0.1 1 348 70 70 GLU H H 8.383 0.01 1 349 70 70 GLU HA H 4.331 0.01 1 350 70 70 GLU HB2 H 1.896 0.01 2 351 70 70 GLU HB3 H 2.113 0.01 2 352 70 70 GLU CA C 56.441 0.1 1 353 70 70 GLU CB C 30.738 0.1 1 354 70 70 GLU N N 121.410 0.1 1 355 71 71 ASP H H 8.024 0.01 1 356 71 71 ASP HA H 4.384 0.01 1 357 71 71 ASP HB2 H 2.578 0.01 2 358 71 71 ASP CA C 56.168 0.1 1 359 71 71 ASP CB C 42.197 0.1 1 360 71 71 ASP N N 127.018 0.1 1 stop_ save_