data_5887 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C assignments for nuclear transport factor 2 (NTF2) ; _BMRB_accession_number 5887 _BMRB_flat_file_name bmr5887.str _Entry_type original _Submission_date 2003-07-29 _Accession_date 2003-07-29 _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 Morrison Jonathan . . 2 Yang Ji-Chun . . 3 Stewart Murray . . 4 Neuhaus David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 586 "13C chemical shifts" 379 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-09-16 original author . stop_ _Original_release_date 2005-09-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR study of the interaction between NTF2 and nucleoporin FxFG repeats' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14556747 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morrison Jonathan . . 2 Yang Ji-Chun . . 3 Stewart Murray . . 4 Neuhaus David . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 333 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 587 _Page_last 603 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_NTF2 _Saveframe_category molecular_system _Mol_system_name 'nuclear transport factor 2' _Abbreviation_common NTF2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NTF2 subunit 1' $NTF2 'NTF2 subunit 2' $NTF2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'NTF2 subunit 1' 1 'NTF2 subunit 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NTF2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Nuclear transport factor 2' _Abbreviation_common NTF2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MGDKPIWEQIGSSFIQHYYQ LFDNDRTQLGAIYIDASCLT WEGQQFQGKAAIVEKLSSLP FQKIQHSITAQDHQPTPDSC IISMVVGQLKADEDPIMGFH QMFLLKNINDAWVCTNDMFR LALHNFG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASP 4 LYS 5 PRO 6 ILE 7 TRP 8 GLU 9 GLN 10 ILE 11 GLY 12 SER 13 SER 14 PHE 15 ILE 16 GLN 17 HIS 18 TYR 19 TYR 20 GLN 21 LEU 22 PHE 23 ASP 24 ASN 25 ASP 26 ARG 27 THR 28 GLN 29 LEU 30 GLY 31 ALA 32 ILE 33 TYR 34 ILE 35 ASP 36 ALA 37 SER 38 CYS 39 LEU 40 THR 41 TRP 42 GLU 43 GLY 44 GLN 45 GLN 46 PHE 47 GLN 48 GLY 49 LYS 50 ALA 51 ALA 52 ILE 53 VAL 54 GLU 55 LYS 56 LEU 57 SER 58 SER 59 LEU 60 PRO 61 PHE 62 GLN 63 LYS 64 ILE 65 GLN 66 HIS 67 SER 68 ILE 69 THR 70 ALA 71 GLN 72 ASP 73 HIS 74 GLN 75 PRO 76 THR 77 PRO 78 ASP 79 SER 80 CYS 81 ILE 82 ILE 83 SER 84 MET 85 VAL 86 VAL 87 GLY 88 GLN 89 LEU 90 LYS 91 ALA 92 ASP 93 GLU 94 ASP 95 PRO 96 ILE 97 MET 98 GLY 99 PHE 100 HIS 101 GLN 102 MET 103 PHE 104 LEU 105 LEU 106 LYS 107 ASN 108 ILE 109 ASN 110 ASP 111 ALA 112 TRP 113 VAL 114 CYS 115 THR 116 ASN 117 ASP 118 MET 119 PHE 120 ARG 121 LEU 122 ALA 123 LEU 124 HIS 125 ASN 126 PHE 127 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-02 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 5888 NTF2_W7A 100.00 127 99.21 99.21 9.68e-88 PDB 1A2K "Gdpran-Ntf2 Complex" 100.00 127 100.00 100.00 4.60e-89 PDB 1AR0 "Nuclear Transport Factor 2 (Ntf2) E42k Mutant" 100.00 127 99.21 100.00 2.01e-88 PDB 1ASK "Nuclear Transport Factor 2 (Ntf2) H66a Mutant" 100.00 127 99.21 99.21 5.31e-88 PDB 1GY5 "D92n,D94n Double Point Mutant Of Human Nuclear Transport Factor 2 (Ntf2)" 100.00 127 98.43 100.00 5.73e-88 PDB 1GY6 "Ntf2 From Rat, Ammonium Sulphate Conditions" 100.00 127 100.00 100.00 4.60e-89 PDB 1JB2 "Crystal Structure Of Ntf2 M84e Mutant" 100.00 127 98.43 98.43 2.24e-87 PDB 1JB4 "Crystal Structure Of Ntf2 M102e Mutant" 100.00 127 98.43 98.43 2.24e-87 PDB 1JB5 "Crystal Structure Of Ntf2 M118e Mutant" 100.00 127 98.43 98.43 2.24e-87 PDB 1OUN "Crystal Structure Of Nuclear Transport Factor 2 (Ntf2)" 100.00 127 100.00 100.00 4.60e-89 PDB 1QMA "Nuclear Transport Factor 2 (Ntf2) W7a Mutant" 99.21 126 99.21 99.21 7.22e-87 PDB 1U5O "Structure Of The D23a Mutant Of The Nuclear Transport Carrier Ntf2" 100.00 127 99.21 99.21 3.58e-88 DBJ BAB22117 "unnamed protein product [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 DBJ BAB28283 "unnamed protein product [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 DBJ BAB32122 "unnamed protein product [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 DBJ BAC25936 "unnamed protein product [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 DBJ BAC34511 "unnamed protein product [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 EMBL CAA30278 "unnamed protein product [Homo sapiens]" 100.00 127 100.00 100.00 4.60e-89 EMBL CAA62839 "nuclear transport factor 2 [Rattus norvegicus]" 100.00 127 100.00 100.00 4.60e-89 EMBL CAG33218 "NUTF2 [Homo sapiens]" 100.00 127 100.00 100.00 4.60e-89 EMBL CAH91946 "hypothetical protein [Pongo abelii]" 100.00 127 99.21 100.00 2.76e-88 GB AAA85905 "nuclear transport factor 2 [Homo sapiens]" 100.00 127 100.00 100.00 4.60e-89 GB AAH02348 "Nuclear transport factor 2 [Homo sapiens]" 100.00 127 100.00 100.00 4.60e-89 GB AAH03955 "Nuclear transport factor 2 [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 GB AAH61569 "Nuclear transport factor 2 [Rattus norvegicus]" 100.00 127 100.00 100.00 4.60e-89 GB AAH83165 "Nuclear transport factor 2 [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 REF NP_001007630 "nuclear transport factor 2 [Rattus norvegicus]" 100.00 127 100.00 100.00 4.60e-89 REF NP_001032713 "nuclear transport factor 2 [Bos taurus]" 100.00 127 100.00 100.00 4.60e-89 REF NP_001126129 "nuclear transport factor 2 [Pongo abelii]" 100.00 127 99.21 100.00 2.76e-88 REF NP_001271650 "uncharacterized protein LOC101865641 [Macaca fascicularis]" 100.00 127 100.00 100.00 4.60e-89 REF NP_005787 "nuclear transport factor 2 [Homo sapiens]" 100.00 127 100.00 100.00 4.60e-89 SP P61970 "RecName: Full=Nuclear transport factor 2; Short=NTF-2; AltName: Full=Placental protein 15; Short=PP15 [Homo sapiens]" 100.00 127 100.00 100.00 4.60e-89 SP P61971 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Mus musculus]" 100.00 127 100.00 100.00 4.60e-89 SP P61972 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Rattus norvegicus]" 100.00 127 100.00 100.00 4.60e-89 SP Q32KP9 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Bos taurus]" 100.00 127 100.00 100.00 4.60e-89 SP Q5R8G4 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Pongo abelii]" 100.00 127 99.21 100.00 2.76e-88 TPG DAA20137 "TPA: nuclear transport factor 2 [Bos taurus]" 100.00 127 100.00 100.00 4.60e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NTF2 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $NTF2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NTF2 . mM 0.4 1 . 'sodium phosphate' 20 mM . . . 'sodium chloride' 50 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NTF2 . mM 0.4 1 '[U-98% 15N]' 'sodium phosphate' 20 mM . . . 'sodium chloride' 50 mM . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NTF2 . mM 0.4 1 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . . 'sodium chloride' 50 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Saveframe_category software _Name xwin-nmr _Version 2.6 loop_ _Task processing stop_ _Details . save_ save_sparky _Saveframe_category software _Name sparky _Version 3.91 loop_ _Task 'visualisation during assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_(1H,_1H)_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) NOESY' _Sample_label . save_ save_2D_(1H,_1H)_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) TOCSY' _Sample_label . save_ save_2D_(1H,_1H)_2Q_correlation_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) 2Q correlation' _Sample_label . save_ save_2D_15N-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _Sample_label . save_ save_2D_13C-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-HSQC' _Sample_label . save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNHAHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label . save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_15N_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label . save_ save_3D_13C_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _Sample_label . save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_H(CCCO)NH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH-TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) 2Q correlation' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 300 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NTF2 subunit 1' _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 GLY H H 8.54 0.02 1 2 . 2 GLY HA2 H 4.01 0.02 2 3 . 2 GLY HA3 H 3.98 0.02 2 4 . 2 GLY CA C 43.1 0.2 1 5 . 2 GLY N N 110.1 0.2 1 6 . 3 ASP H H 8.34 0.02 1 7 . 3 ASP HB2 H 2.61 0.02 2 8 . 3 ASP HB3 H 2.49 0.02 2 9 . 3 ASP CA C 52.2 0.2 1 10 . 3 ASP CB C 39.2 0.2 1 11 . 3 ASP N N 119.7 0.2 1 12 . 4 LYS H H 8.37 0.02 1 13 . 4 LYS HA H 4.47 0.02 1 14 . 4 LYS HB2 H 1.57 0.02 2 15 . 4 LYS HG2 H 1.39 0.02 2 16 . 4 LYS CA C 46.6 0.2 1 17 . 4 LYS CB C 30.1 0.2 1 18 . 4 LYS CG C 22.4 0.2 1 19 . 4 LYS N N 121.9 0.2 1 20 . 5 PRO HA H 4.03 0.02 1 21 . 5 PRO HB2 H 1.24 0.02 2 22 . 5 PRO HB3 H -0.06 0.02 2 23 . 5 PRO HG2 H 1.80 0.02 2 24 . 5 PRO HG3 H 1.43 0.02 2 25 . 5 PRO HD2 H 3.69 0.02 2 26 . 5 PRO HD3 H 3.47 0.02 2 27 . 5 PRO CA C 59.8 0.2 1 28 . 5 PRO CB C 29.1 0.2 1 29 . 5 PRO CG C 25.4 0.2 1 30 . 5 PRO CD C 48.0 0.2 1 31 . 6 ILE H H 8.58 0.02 1 32 . 6 ILE HA H 3.78 0.02 1 33 . 6 ILE HB H 1.86 0.02 1 34 . 6 ILE HG12 H 1.39 0.02 2 35 . 6 ILE HG13 H 1.33 0.02 2 36 . 6 ILE HG2 H 1.02 0.02 1 37 . 6 ILE HD1 H 0.90 0.02 1 38 . 6 ILE CA C 60.8 0.2 1 39 . 6 ILE CB C 35.6 0.2 1 40 . 6 ILE CG1 C 26.1 0.2 1 41 . 6 ILE CG2 C 15.6 0.2 1 42 . 6 ILE CD1 C 11.0 0.2 1 43 . 6 ILE N N 122.4 0.2 1 44 . 7 TRP H H 6.53 0.02 1 45 . 7 TRP HA H 4.22 0.02 1 46 . 7 TRP HB2 H 3.38 0.02 2 47 . 7 TRP HB3 H 2.90 0.02 2 48 . 7 TRP HD1 H 6.95 0.02 1 49 . 7 TRP HE1 H 10.99 0.02 1 50 . 7 TRP HE3 H 7.61 0.02 1 51 . 7 TRP HZ2 H 7.68 0.02 1 52 . 7 TRP HZ3 H 7.36 0.02 1 53 . 7 TRP HH2 H 7.42 0.02 1 54 . 7 TRP CA C 56.6 0.2 1 55 . 7 TRP CB C 24.9 0.2 1 56 . 7 TRP CD1 C 125.4 0.2 1 57 . 7 TRP CE3 C 117.3 0.2 1 58 . 7 TRP CZ2 C 113.4 0.2 1 59 . 7 TRP CZ3 C 121.5 0.2 1 60 . 7 TRP CH2 C 123.5 0.2 1 61 . 7 TRP N N 115.2 0.2 1 62 . 7 TRP NE1 N 132.8 0.2 1 63 . 8 GLU H H 6.20 0.02 1 64 . 8 GLU HA H 3.78 0.02 1 65 . 8 GLU HB2 H 1.83 0.02 2 66 . 8 GLU HG2 H 2.21 0.02 2 67 . 8 GLU CA C 56.0 0.2 1 68 . 8 GLU CB C 27.4 0.2 1 69 . 8 GLU CG C 33.7 0.2 1 70 . 8 GLU N N 120.2 0.2 1 71 . 9 GLN H H 7.58 0.02 1 72 . 9 GLN HA H 3.79 0.02 1 73 . 9 GLN HB2 H 2.03 0.02 2 74 . 9 GLN HE21 H 6.66 0.02 2 75 . 9 GLN HE22 H 7.28 0.02 2 76 . 9 GLN CA C 57.3 0.2 1 77 . 9 GLN CB C 26.1 0.2 1 78 . 9 GLN N N 120.4 0.2 1 79 . 9 GLN NE2 N 110.9 0.2 1 80 . 10 ILE H H 8.10 0.02 1 81 . 10 ILE HA H 3.38 0.02 1 82 . 10 ILE HG12 H 1.64 0.02 2 83 . 10 ILE HG2 H -0.52 0.02 1 84 . 10 ILE HD1 H 0.53 0.02 1 85 . 10 ILE CA C 61.9 0.2 1 86 . 10 ILE CB C 35.3 0.2 1 87 . 10 ILE CG1 C 24.9 0.2 1 88 . 10 ILE CG2 C 13.0 0.2 1 89 . 10 ILE CD1 C 10.7 0.2 1 90 . 10 ILE N N 119.3 0.2 1 91 . 11 GLY H H 7.88 0.02 1 92 . 11 GLY HA2 H 3.33 0.02 2 93 . 11 GLY CA C 45.3 0.2 1 94 . 11 GLY N N 107.4 0.2 1 95 . 12 SER H H 7.74 0.02 1 96 . 12 SER HA H 4.51 0.02 1 97 . 12 SER HB2 H 3.87 0.02 2 98 . 12 SER CA C 59.3 0.2 1 99 . 12 SER CB C 61.0 0.2 1 100 . 12 SER N N 114.8 0.2 1 101 . 13 SER H H 7.52 0.02 1 102 . 13 SER HB2 H 3.91 0.02 2 103 . 13 SER HB3 H 3.98 0.02 2 104 . 13 SER CB C 60.5 0.2 1 105 . 13 SER N N 118.3 0.2 1 106 . 14 PHE H H 8.37 0.02 1 107 . 14 PHE HA H 4.09 0.02 1 108 . 14 PHE HB2 H 3.26 0.02 2 109 . 14 PHE HB3 H 3.13 0.02 2 110 . 14 PHE HD1 H 6.83 0.02 4 111 . 14 PHE HD2 H 6.83 0.02 4 112 . 14 PHE HE1 H 6.68 0.02 4 113 . 14 PHE HE2 H 6.68 0.02 4 114 . 14 PHE HZ H 6.38 0.02 4 115 . 14 PHE CA C 60.0 0.2 1 116 . 14 PHE CB C 36.7 0.2 1 117 . 14 PHE CD1 C 126.9 0.2 4 118 . 14 PHE CD2 C 126.9 0.2 4 119 . 14 PHE CE1 C 126.7 0.2 4 120 . 14 PHE CE2 C 126.7 0.2 4 121 . 14 PHE CZ C 128.2 0.2 4 122 . 14 PHE N N 123.7 0.2 1 123 . 15 ILE H H 8.48 0.02 1 124 . 15 ILE HA H 3.51 0.02 1 125 . 15 ILE HB H 2.30 0.02 1 126 . 15 ILE HG12 H 1.85 0.02 2 127 . 15 ILE HG13 H 1.12 0.02 2 128 . 15 ILE HG2 H 1.12 0.02 1 129 . 15 ILE HD1 H 1.00 0.02 1 130 . 15 ILE CA C 61.6 0.2 1 131 . 15 ILE CB C 35.1 0.2 1 132 . 15 ILE CG1 C 25.9 0.2 1 133 . 15 ILE CG2 C 16.7 0.2 1 134 . 15 ILE CD1 C 12.2 0.2 1 135 . 15 ILE N N 117.3 0.2 1 136 . 16 GLN H H 7.75 0.02 1 137 . 16 GLN HA H 3.99 0.02 1 138 . 16 GLN HB2 H 2.23 0.02 2 139 . 16 GLN HE21 H 7.61 0.02 2 140 . 16 GLN HE22 H 6.84 0.02 2 141 . 16 GLN CA C 57.0 0.2 1 142 . 16 GLN CB C 26.1 0.2 1 143 . 16 GLN N N 118.2 0.2 1 144 . 16 GLN NE2 N 112.0 0.2 1 145 . 17 HIS H H 7.69 0.02 1 146 . 17 HIS HA H 4.33 0.02 1 147 . 17 HIS HB2 H 3.09 0.02 2 148 . 17 HIS HD2 H 6.80 0.02 1 149 . 17 HIS HE1 H 7.76 0.02 1 150 . 17 HIS CA C 56.4 0.2 1 151 . 17 HIS CB C 27.2 0.2 1 152 . 17 HIS CD2 C 117.5 0.2 1 153 . 17 HIS CE1 C 135.3 0.2 1 154 . 17 HIS N N 118.1 0.2 1 155 . 18 TYR H H 8.68 0.02 1 156 . 18 TYR HA H 3.26 0.02 1 157 . 18 TYR HD1 H 5.76 0.02 1 158 . 18 TYR HD2 H 5.76 0.02 1 159 . 18 TYR HE1 H 6.77 0.02 1 160 . 18 TYR HE2 H 6.77 0.02 1 161 . 18 TYR CA C 60.0 0.2 1 162 . 18 TYR CB C 36.1 0.2 1 163 . 18 TYR CD1 C 130.3 0.2 1 164 . 18 TYR CD2 C 130.3 0.2 1 165 . 18 TYR CE1 C 117.2 0.2 1 166 . 18 TYR CE2 C 117.2 0.2 1 167 . 18 TYR N N 119.7 0.2 1 168 . 19 TYR H H 7.99 0.02 1 169 . 19 TYR HA H 4.00 0.02 1 170 . 19 TYR HB2 H 2.91 0.02 2 171 . 19 TYR HD1 H 6.46 0.02 1 172 . 19 TYR HD2 H 6.46 0.02 1 173 . 19 TYR HE1 H 6.52 0.02 1 174 . 19 TYR HE2 H 6.52 0.02 1 175 . 19 TYR CA C 60.4 0.2 1 176 . 19 TYR CB C 34.8 0.2 1 177 . 19 TYR N N 114.3 0.2 1 178 . 20 GLN H H 7.73 0.02 1 179 . 20 GLN HA H 4.12 0.02 1 180 . 20 GLN HB2 H 2.35 0.02 2 181 . 20 GLN CA C 57.3 0.2 1 182 . 20 GLN CB C 25.8 0.2 1 183 . 20 GLN N N 120.0 0.2 1 184 . 21 LEU H H 7.94 0.02 1 185 . 21 LEU HA H 3.93 0.02 1 186 . 21 LEU HB2 H 1.59 0.02 2 187 . 21 LEU CA C 55.5 0.2 1 188 . 21 LEU CB C 39.3 0.2 1 189 . 21 LEU N N 119.1 0.2 1 190 . 22 PHE H H 8.84 0.02 1 191 . 22 PHE HA H 3.20 0.02 1 192 . 22 PHE HB2 H 2.63 0.02 2 193 . 22 PHE CA C 58.3 0.2 1 194 . 22 PHE CB C 36.6 0.2 1 195 . 22 PHE N N 120.0 0.2 1 196 . 23 ASP H H 8.26 0.02 1 197 . 23 ASP HA H 4.74 0.02 1 198 . 23 ASP HB2 H 3.19 0.02 2 199 . 23 ASP HB3 H 2.91 0.02 2 200 . 23 ASP CA C 53.3 0.2 1 201 . 23 ASP CB C 37.1 0.2 1 202 . 23 ASP N N 113.6 0.2 1 203 . 24 ASN H H 7.72 0.02 1 204 . 24 ASN HA H 4.97 0.02 1 205 . 24 ASN HB2 H 2.84 0.02 2 206 . 24 ASN HB3 H 2.69 0.02 2 207 . 24 ASN HD21 H 8.11 0.02 2 208 . 24 ASN HD22 H 7.18 0.02 2 209 . 24 ASN CA C 53.0 0.2 1 210 . 24 ASN CB C 39.2 0.2 1 211 . 24 ASN N N 117.3 0.2 1 212 . 24 ASN ND2 N 114.8 0.2 1 213 . 25 ASP H H 8.91 0.02 1 214 . 25 ASP HA H 4.67 0.02 1 215 . 25 ASP HB2 H 2.73 0.02 2 216 . 25 ASP CA C 52.0 0.2 1 217 . 25 ASP CB C 37.3 0.2 1 218 . 25 ASP N N 118.5 0.2 1 219 . 26 ARG H H 8.61 0.02 1 220 . 26 ARG HA H 3.58 0.02 1 221 . 26 ARG HB2 H 1.57 0.02 2 222 . 26 ARG CA C 56.4 0.2 1 223 . 26 ARG CB C 26.8 0.2 2 224 . 26 ARG N N 123.5 0.2 1 225 . 27 THR H H 8.02 0.02 1 226 . 27 THR HA H 4.19 0.02 1 227 . 27 THR CA C 62.2 0.2 1 228 . 27 THR CB C 66.3 0.2 1 229 . 27 THR N N 109.4 0.2 1 230 . 28 GLN H H 7.69 0.02 1 231 . 28 GLN HA H 4.30 0.02 1 232 . 28 GLN HB2 H 2.39 0.02 2 233 . 28 GLN HB3 H 1.91 0.02 2 234 . 28 GLN HE21 H 7.58 0.02 2 235 . 28 GLN HE22 H 6.79 0.02 2 236 . 28 GLN CA C 53.7 0.2 1 237 . 28 GLN CB C 26.7 0.2 1 238 . 28 GLN N N 118.1 0.2 1 239 . 28 GLN NE2 N 113.0 0.2 1 240 . 29 LEU H H 7.29 0.02 1 241 . 29 LEU HA H 3.88 0.02 1 242 . 29 LEU HB2 H 1.53 0.02 2 243 . 29 LEU CA C 54.9 0.2 1 244 . 29 LEU CB C 40.3 0.2 1 245 . 29 LEU N N 118.0 0.2 1 246 . 30 GLY H H 7.99 0.02 1 247 . 30 GLY HA2 H 3.97 0.02 2 248 . 30 GLY HA3 H 3.68 0.02 2 249 . 30 GLY CA C 45.9 0.2 1 250 . 30 GLY N N 104.0 0.2 1 251 . 31 ALA H H 7.18 0.02 1 252 . 31 ALA HA H 4.27 0.02 1 253 . 31 ALA HB H 1.50 0.02 1 254 . 31 ALA CA C 51.8 0.2 1 255 . 31 ALA CB C 17.2 0.2 1 256 . 31 ALA N N 117.7 0.2 1 257 . 32 ILE H H 7.62 0.02 1 258 . 32 ILE HA H 4.49 0.02 1 259 . 32 ILE HB H 2.42 0.02 1 260 . 32 ILE HG12 H 1.26 0.02 2 261 . 32 ILE HG13 H 1.10 0.02 2 262 . 32 ILE HG2 H 0.77 0.02 1 263 . 32 ILE HD1 H 0.61 0.02 1 264 . 32 ILE CA C 58.3 0.2 1 265 . 32 ILE CB C 35.6 0.2 1 266 . 32 ILE CG1 C 25.4 0.2 1 267 . 32 ILE CG2 C 17.1 0.2 1 268 . 32 ILE CD1 C 11.8 0.2 1 269 . 32 ILE N N 110.9 0.2 1 270 . 33 TYR H H 7.21 0.02 1 271 . 33 TYR HA H 5.34 0.02 1 272 . 33 TYR HB2 H 3.33 0.02 2 273 . 33 TYR HB3 H 2.50 0.02 2 274 . 33 TYR HD1 H 7.12 0.02 1 275 . 33 TYR HD2 H 7.12 0.02 1 276 . 33 TYR HE1 H 6.72 0.02 1 277 . 33 TYR HE2 H 6.72 0.02 1 278 . 33 TYR CA C 54.9 0.2 1 279 . 33 TYR CB C 40.1 0.2 1 280 . 33 TYR CD1 C 127.2 0.2 1 281 . 33 TYR CD2 C 127.2 0.2 1 282 . 33 TYR CE1 C 115.6 0.2 1 283 . 33 TYR CE2 C 115.6 0.2 1 284 . 33 TYR N N 116.9 0.2 1 285 . 34 ILE H H 9.03 0.02 1 286 . 34 ILE HA H 4.09 0.02 1 287 . 34 ILE HG2 H 0.94 0.02 1 288 . 34 ILE HD1 H 0.86 0.02 1 289 . 34 ILE CA C 57.8 0.2 1 290 . 34 ILE CG2 C 16.9 0.2 1 291 . 34 ILE CD1 C 12.0 0.2 1 292 . 34 ILE N N 111.6 0.2 1 293 . 35 ASP H H 8.85 0.02 1 294 . 35 ASP HA H 4.55 0.02 1 295 . 35 ASP HB2 H 2.78 0.02 2 296 . 35 ASP CA C 56.8 0.2 1 297 . 35 ASP CB C 37.6 0.2 1 298 . 35 ASP N N 122.5 0.2 1 299 . 36 ALA H H 7.77 0.02 1 300 . 36 ALA HA H 4.57 0.02 1 301 . 36 ALA HB H 1.43 0.02 1 302 . 36 ALA CA C 49.5 0.2 1 303 . 36 ALA CB C 16.5 0.2 1 304 . 36 ALA N N 117.7 0.2 1 305 . 37 SER H H 7.88 0.02 1 306 . 37 SER HA H 4.97 0.02 1 307 . 37 SER CA C 59.3 0.2 1 308 . 37 SER CB C 62.2 0.2 1 309 . 37 SER N N 116.5 0.2 1 310 . 38 CYS H H 8.07 0.02 1 311 . 38 CYS HA H 5.08 0.02 1 312 . 38 CYS HB2 H 2.87 0.02 2 313 . 38 CYS CA C 56.2 0.2 1 314 . 38 CYS CB C 28.1 0.2 1 315 . 38 CYS N N 120.0 0.2 1 316 . 39 LEU H H 8.77 0.02 1 317 . 39 LEU CA C 50.6 0.2 1 318 . 39 LEU CB C 45.8 0.2 1 319 . 39 LEU N N 126.5 0.2 1 320 . 40 THR H H 9.17 0.02 1 321 . 40 THR HA H 5.60 0.02 1 322 . 40 THR HB H 3.99 0.02 1 323 . 40 THR HG2 H 1.27 0.02 1 324 . 40 THR CA C 59.8 0.2 1 325 . 40 THR CB C 67.5 0.2 1 326 . 40 THR CG2 C 20.1 0.2 1 327 . 40 THR N N 123.5 0.2 1 328 . 41 TRP H H 9.65 0.02 1 329 . 41 TRP HA H 5.16 0.02 1 330 . 41 TRP HD1 H 7.17 0.02 1 331 . 41 TRP HE1 H 10.33 0.02 1 332 . 41 TRP HE3 H 7.47 0.02 1 333 . 41 TRP HZ2 H 6.91 0.02 1 334 . 41 TRP HZ3 H 6.75 0.02 1 335 . 41 TRP HH2 H 6.39 0.02 1 336 . 41 TRP CA C 54.3 0.2 1 337 . 41 TRP CB C 28.6 0.2 1 338 . 41 TRP CD1 C 123.8 0.2 1 339 . 41 TRP CE3 C 117.1 0.2 1 340 . 41 TRP CZ2 C 112.2 0.2 1 341 . 41 TRP CZ3 C 119.7 0.2 1 342 . 41 TRP CH2 C 121.6 0.2 1 343 . 41 TRP N N 128.4 0.2 1 344 . 41 TRP NE1 N 129.2 0.2 1 345 . 42 GLU H H 8.84 0.02 1 346 . 42 GLU HA H 4.04 0.02 1 347 . 42 GLU HB2 H 2.49 0.02 2 348 . 42 GLU HG2 H 3.24 0.02 2 349 . 42 GLU HG3 H 3.15 0.02 2 350 . 42 GLU CA C 55.1 0.2 1 351 . 42 GLU CB C 26.7 0.2 1 352 . 42 GLU CG C 28.9 0.2 1 353 . 42 GLU N N 128.4 0.2 1 354 . 43 GLY H H 9.50 0.02 1 355 . 43 GLY HA2 H 4.28 0.02 2 356 . 43 GLY HA3 H 3.70 0.02 2 357 . 43 GLY CA C 43.7 0.2 1 358 . 43 GLY N N 104.4 0.2 1 359 . 44 GLN H H 7.85 0.02 1 360 . 44 GLN HA H 4.64 0.02 1 361 . 44 GLN HB2 H 2.28 0.02 2 362 . 44 GLN HG2 H 2.44 0.02 2 363 . 44 GLN HE21 H 7.36 0.02 2 364 . 44 GLN CA C 52.5 0.2 1 365 . 44 GLN CB C 28.1 0.2 1 366 . 44 GLN CG C 31.6 0.2 1 367 . 44 GLN N N 121.2 0.2 1 368 . 44 GLN NE2 N 111.9 0.2 1 369 . 45 GLN H H 8.66 0.02 1 370 . 45 GLN HA H 5.31 0.02 1 371 . 45 GLN HB2 H 2.05 0.02 2 372 . 45 GLN HG2 H 2.56 0.02 2 373 . 45 GLN HG3 H 2.35 0.02 2 374 . 45 GLN HE21 H 7.53 0.02 2 375 . 45 GLN HE22 H 6.32 0.02 2 376 . 45 GLN CA C 53.6 0.2 1 377 . 45 GLN CB C 28.9 0.2 1 378 . 45 GLN CG C 32.9 0.2 1 379 . 45 GLN N N 124.8 0.2 1 380 . 45 GLN NE2 N 109.6 0.2 1 381 . 46 PHE H H 9.77 0.02 1 382 . 46 PHE HA H 4.57 0.02 1 383 . 46 PHE HB2 H 2.87 0.02 2 384 . 46 PHE HB3 H 2.65 0.02 2 385 . 46 PHE CA C 55.5 0.2 1 386 . 46 PHE CB C 39.4 0.2 1 387 . 46 PHE N N 123.8 0.2 1 388 . 47 GLN H H 8.85 0.02 1 389 . 47 GLN HA H 4.85 0.02 1 390 . 47 GLN HB2 H 2.09 0.02 2 391 . 47 GLN HG2 H 2.42 0.02 2 392 . 47 GLN CA C 53.4 0.2 1 393 . 47 GLN CB C 27.8 0.2 1 394 . 47 GLN CG C 31.8 0.2 1 395 . 47 GLN N N 122.5 0.2 1 396 . 48 GLY H H 8.71 0.02 1 397 . 48 GLY HA2 H 4.53 0.02 2 398 . 48 GLY HA3 H 4.32 0.02 2 399 . 48 GLY CA C 42.4 0.2 1 400 . 48 GLY N N 114.9 0.2 1 401 . 49 LYS H H 7.43 0.02 1 402 . 49 LYS HA H 3.57 0.02 1 403 . 49 LYS HB2 H 1.82 0.02 2 404 . 49 LYS CA C 58.7 0.2 1 405 . 49 LYS CB C 30.8 0.2 1 406 . 49 LYS N N 120.2 0.2 1 407 . 50 ALA H H 8.52 0.02 1 408 . 50 ALA HA H 4.03 0.02 1 409 . 50 ALA HB H 1.43 0.02 1 410 . 50 ALA CA C 53.4 0.2 1 411 . 50 ALA CB C 15.4 0.2 1 412 . 50 ALA N N 119.0 0.2 1 413 . 51 ALA H H 8.26 0.02 1 414 . 51 ALA HA H 4.17 0.02 1 415 . 51 ALA HB H 1.61 0.02 1 416 . 51 ALA CA C 52.3 0.2 1 417 . 51 ALA CB C 16.6 0.2 1 418 . 51 ALA N N 120.7 0.2 1 419 . 52 ILE H H 8.01 0.02 1 420 . 52 ILE HA H 3.05 0.02 1 421 . 52 ILE HB H 1.51 0.02 1 422 . 52 ILE HG12 H 1.73 0.02 2 423 . 52 ILE HG13 H 1.53 0.02 2 424 . 52 ILE HG2 H 0.09 0.02 1 425 . 52 ILE HD1 H 0.17 0.02 1 426 . 52 ILE CA C 64.0 0.2 1 427 . 52 ILE CB C 36.0 0.2 1 428 . 52 ILE CG1 C 26.9 0.2 1 429 . 52 ILE CG2 C 13.9 0.2 1 430 . 52 ILE CD1 C 11.6 0.2 1 431 . 52 ILE N N 120.0 0.2 1 432 . 53 VAL H H 8.54 0.02 1 433 . 53 VAL HA H 3.30 0.02 1 434 . 53 VAL HB H 2.04 0.02 1 435 . 53 VAL HG1 H 0.84 0.02 2 436 . 53 VAL HG2 H 0.97 0.02 2 437 . 53 VAL CA C 64.7 0.2 1 438 . 53 VAL CB C 29.0 0.2 1 439 . 53 VAL CG1 C 19.5 0.2 2 440 . 53 VAL CG2 C 20.9 0.2 2 441 . 53 VAL N N 118.1 0.2 1 442 . 54 GLU H H 7.92 0.02 1 443 . 54 GLU HA H 3.90 0.02 1 444 . 54 GLU HB2 H 2.02 0.02 2 445 . 54 GLU HG2 H 2.12 0.02 2 446 . 54 GLU CA C 57.3 0.2 1 447 . 54 GLU CB C 27.0 0.2 1 448 . 54 GLU CG C 33.7 0.2 1 449 . 54 GLU N N 121.6 0.2 1 450 . 55 LYS H H 7.52 0.02 1 451 . 55 LYS HA H 3.73 0.02 1 452 . 55 LYS HG2 H 1.90 0.02 2 453 . 55 LYS HD2 H 1.51 0.02 2 454 . 55 LYS HD3 H 1.44 0.02 2 455 . 55 LYS CA C 55.3 0.2 1 456 . 55 LYS CB C 27.7 0.2 1 457 . 55 LYS N N 120.4 0.2 1 458 . 56 LEU H H 8.25 0.02 1 459 . 56 LEU HB2 H 1.54 0.02 2 460 . 56 LEU HB3 H 0.68 0.02 2 461 . 56 LEU HG H 1.67 0.02 1 462 . 56 LEU HD1 H 0.59 0.02 2 463 . 56 LEU HD2 H 0.37 0.02 2 464 . 56 LEU CA C 55.0 0.2 1 465 . 56 LEU CB C 39.1 0.2 1 466 . 56 LEU CG C 23.6 0.2 1 467 . 56 LEU CD1 C 24.6 0.2 2 468 . 56 LEU CD2 C 19.8 0.2 2 469 . 56 LEU N N 117.0 0.2 1 470 . 57 SER H H 8.29 0.02 1 471 . 57 SER HA H 3.91 0.02 1 472 . 57 SER HB2 H 3.72 0.02 2 473 . 57 SER CA C 59.2 0.2 1 474 . 57 SER CB C 60.9 0.2 1 475 . 57 SER N N 113.0 0.2 1 476 . 58 SER H H 7.44 0.02 1 477 . 58 SER HA H 4.33 0.02 1 478 . 58 SER HB2 H 3.90 0.02 2 479 . 58 SER CA C 56.3 0.2 1 480 . 58 SER CB C 62.0 0.2 1 481 . 58 SER N N 114.2 0.2 1 482 . 59 LEU H H 6.75 0.02 1 483 . 59 LEU HG H 1.53 0.02 1 484 . 59 LEU HD1 H 0.77 0.02 2 485 . 59 LEU HD2 H 0.32 0.02 2 486 . 59 LEU CA C 50.8 0.2 1 487 . 59 LEU CB C 38.8 0.2 1 488 . 59 LEU CG C 23.9 0.2 1 489 . 59 LEU CD1 C 24.3 0.2 2 490 . 59 LEU CD2 C 19.9 0.2 2 491 . 59 LEU N N 123.6 0.2 1 492 . 60 PRO HA H 4.40 0.02 1 493 . 60 PRO HB2 H 2.21 0.02 2 494 . 60 PRO HB3 H 1.92 0.02 2 495 . 60 PRO HD2 H 3.55 0.02 2 496 . 60 PRO HD3 H 3.11 0.02 2 497 . 60 PRO CA C 61.7 0.2 1 498 . 60 PRO CB C 27.7 0.2 1 499 . 60 PRO CD C 47.9 0.2 1 500 . 61 PHE H H 6.75 0.02 1 501 . 61 PHE HA H 5.16 0.02 1 502 . 61 PHE HB2 H 3.12 0.02 2 503 . 61 PHE HB3 H 2.72 0.02 2 504 . 61 PHE CA C 52.3 0.2 1 505 . 61 PHE CB C 38.2 0.2 1 506 . 61 PHE N N 117.3 0.2 1 507 . 62 GLN H H 10.54 0.02 1 508 . 62 GLN HA H 4.53 0.02 1 509 . 62 GLN HB2 H 2.28 0.02 2 510 . 62 GLN HG2 H 2.53 0.02 2 511 . 62 GLN HG3 H 2.37 0.02 2 512 . 62 GLN HE21 H 7.53 0.02 2 513 . 62 GLN CA C 55.3 0.2 1 514 . 62 GLN CB C 27.4 0.2 1 515 . 62 GLN CG C 31.6 0.2 1 516 . 62 GLN N N 124.0 0.2 1 517 . 62 GLN NE2 N 112.4 0.2 1 518 . 63 LYS H H 9.32 0.02 1 519 . 63 LYS HA H 4.75 0.02 1 520 . 63 LYS HB2 H 1.84 0.02 2 521 . 63 LYS HG2 H 1.47 0.02 2 522 . 63 LYS CA C 52.8 0.2 1 523 . 63 LYS CB C 32.8 0.2 1 524 . 63 LYS CG C 22.4 0.2 1 525 . 63 LYS N N 122.8 0.2 1 526 . 64 ILE H H 8.94 0.02 1 527 . 64 ILE HA H 4.86 0.02 1 528 . 64 ILE HB H 1.33 0.02 1 529 . 64 ILE HG12 H 1.03 0.02 2 530 . 64 ILE HG2 H 0.94 0.02 1 531 . 64 ILE HD1 H 0.32 0.02 1 532 . 64 ILE CA C 57.2 0.2 1 533 . 64 ILE CB C 38.8 0.2 1 534 . 64 ILE CG1 C 26.2 0.2 1 535 . 64 ILE CG2 C 14.5 0.2 1 536 . 64 ILE CD1 C 12.4 0.2 1 537 . 64 ILE N N 122.5 0.2 1 538 . 65 GLN H H 7.90 0.02 1 539 . 65 GLN HA H 4.66 0.02 1 540 . 65 GLN HB2 H 1.91 0.02 2 541 . 65 GLN HG2 H 2.46 0.02 2 542 . 65 GLN HG3 H 2.33 0.02 2 543 . 65 GLN CA C 51.9 0.2 1 544 . 65 GLN CB C 30.4 0.2 1 545 . 65 GLN CG C 28.6 0.2 1 546 . 65 GLN N N 122.4 0.2 1 547 . 66 HIS H H 9.84 0.02 1 548 . 66 HIS HA H 4.96 0.02 1 549 . 66 HIS HB2 H 2.84 0.02 2 550 . 66 HIS HB3 H 2.38 0.02 2 551 . 66 HIS HD2 H 5.90 0.02 1 552 . 66 HIS HE1 H 6.87 0.02 1 553 . 66 HIS CA C 54.5 0.2 1 554 . 66 HIS CB C 29.0 0.2 1 555 . 66 HIS CD2 C 117.3 0.2 1 556 . 66 HIS CE1 C 133.5 0.2 1 557 . 66 HIS N N 124.0 0.2 1 558 . 67 SER H H 9.31 0.02 1 559 . 67 SER HA H 4.75 0.02 1 560 . 67 SER HB2 H 3.71 0.02 2 561 . 67 SER CA C 54.9 0.2 1 562 . 67 SER CB C 62.3 0.2 1 563 . 67 SER N N 117.4 0.2 1 564 . 68 ILE H H 8.98 0.02 1 565 . 68 ILE HA H 3.99 0.02 1 566 . 68 ILE HB H 1.91 0.02 1 567 . 68 ILE HG12 H 1.24 0.02 2 568 . 68 ILE HG13 H 1.15 0.02 2 569 . 68 ILE HG2 H 0.82 0.02 1 570 . 68 ILE HD1 H 0.54 0.02 1 571 . 68 ILE CA C 59.1 0.2 1 572 . 68 ILE CB C 35.3 0.2 1 573 . 68 ILE CG1 C 22.8 0.2 1 574 . 68 ILE CG2 C 16.2 0.2 1 575 . 68 ILE CD1 C 9.9 0.2 1 576 . 68 ILE N N 126.5 0.2 1 577 . 69 THR H H 9.15 0.02 1 578 . 69 THR HA H 3.92 0.02 1 579 . 69 THR HB H 4.22 0.02 1 580 . 69 THR HG2 H 1.25 0.02 1 581 . 69 THR CA C 61.9 0.2 1 582 . 69 THR CB C 66.2 0.2 1 583 . 69 THR CG2 C 19.1 0.2 1 584 . 69 THR N N 125.4 0.2 1 585 . 70 ALA H H 8.24 0.02 1 586 . 70 ALA HA H 4.55 0.02 1 587 . 70 ALA HB H 1.15 0.02 1 588 . 70 ALA CA C 49.7 0.2 1 589 . 70 ALA CB C 18.7 0.2 1 590 . 70 ALA N N 122.6 0.2 1 591 . 71 GLN H H 8.28 0.02 1 592 . 71 GLN HA H 5.39 0.02 1 593 . 71 GLN HB2 H 2.58 0.02 2 594 . 71 GLN HE21 H 8.68 0.02 2 595 . 71 GLN HE22 H 6.75 0.02 2 596 . 71 GLN CA C 50.9 0.2 1 597 . 71 GLN CB C 30.5 0.2 1 598 . 71 GLN N N 114.1 0.2 1 599 . 71 GLN NE2 N 113.6 0.2 1 600 . 72 ASP H H 8.56 0.02 1 601 . 72 ASP HA H 5.07 0.02 1 602 . 72 ASP HB2 H 2.58 0.02 2 603 . 72 ASP CA C 51.1 0.2 1 604 . 72 ASP CB C 45.0 0.2 1 605 . 72 ASP N N 121.1 0.2 1 606 . 73 HIS H H 8.44 0.02 1 607 . 73 HIS HA H 5.95 0.02 1 608 . 73 HIS HB2 H 2.96 0.02 2 609 . 73 HIS HB3 H 2.76 0.02 2 610 . 73 HIS HD2 H 7.15 0.02 1 611 . 73 HIS HE1 H 7.39 0.02 1 612 . 73 HIS CA C 52.6 0.2 1 613 . 73 HIS CB C 33.7 0.2 1 614 . 73 HIS CD2 C 116.4 0.2 1 615 . 73 HIS CE1 C 135.1 0.2 1 616 . 73 HIS N N 117.6 0.2 1 617 . 74 GLN H H 9.44 0.02 1 618 . 74 GLN HA H 4.42 0.02 1 619 . 74 GLN CA C 50.5 0.2 1 620 . 74 GLN CB C 31.1 0.2 1 621 . 74 GLN N N 120.8 0.2 1 622 . 75 PRO HA H 5.17 0.02 1 623 . 75 PRO HB2 H 1.81 0.02 2 624 . 75 PRO HB3 H 1.53 0.02 2 625 . 75 PRO HD2 H 2.95 0.02 2 626 . 75 PRO HD3 H 1.38 0.02 2 627 . 75 PRO CA C 59.2 0.2 1 628 . 75 PRO CB C 29.5 0.2 1 629 . 75 PRO CD C 45.8 0.2 1 630 . 76 THR H H 8.11 0.02 1 631 . 76 THR HA H 5.16 0.02 1 632 . 76 THR HB H 4.53 0.02 1 633 . 76 THR HG2 H 0.88 0.02 1 634 . 76 THR CA C 56.4 0.2 1 635 . 76 THR CB C 66.0 0.2 1 636 . 76 THR CG2 C 19.8 0.2 1 637 . 76 THR N N 111.0 0.2 1 638 . 77 PRO HA H 4.50 0.02 1 639 . 77 PRO HB2 H 2.53 0.02 2 640 . 77 PRO HB3 H 1.85 0.02 2 641 . 77 PRO HG2 H 1.93 0.02 2 642 . 77 PRO HD2 H 4.26 0.02 2 643 . 77 PRO HD3 H 3.79 0.02 2 644 . 77 PRO CA C 62.4 0.2 1 645 . 77 PRO CB C 29.7 0.2 1 646 . 77 PRO CG C 25.6 0.2 1 647 . 77 PRO CD C 48.8 0.2 1 648 . 78 ASP H H 7.42 0.02 1 649 . 78 ASP HA H 4.95 0.02 1 650 . 78 ASP HB2 H 2.85 0.02 2 651 . 78 ASP HB3 H 2.44 0.02 2 652 . 78 ASP CA C 51.5 0.2 1 653 . 78 ASP CB C 38.2 0.2 1 654 . 78 ASP N N 113.3 0.2 1 655 . 79 SER H H 8.08 0.02 1 656 . 79 SER HA H 4.37 0.02 1 657 . 79 SER HB2 H 3.62 0.02 2 658 . 79 SER CA C 58.5 0.2 1 659 . 79 SER CB C 61.8 0.2 1 660 . 79 SER N N 108.8 0.2 1 661 . 80 CYS H H 7.34 0.02 1 662 . 80 CYS HA H 5.34 0.02 1 663 . 80 CYS HB2 H 3.40 0.02 2 664 . 80 CYS HB3 H 3.04 0.02 2 665 . 80 CYS CA C 56.0 0.2 1 666 . 80 CYS CB C 27.2 0.2 1 667 . 80 CYS N N 114.9 0.2 1 668 . 81 ILE H H 8.78 0.02 1 669 . 81 ILE HA H 4.82 0.02 1 670 . 81 ILE HG12 H 1.39 0.02 2 671 . 81 ILE HG13 H 0.83 0.02 2 672 . 81 ILE HG2 H 0.84 0.02 1 673 . 81 ILE HD1 H 0.93 0.02 1 674 . 81 ILE CA C 59.0 0.2 1 675 . 81 ILE CB C 40.1 0.2 1 676 . 81 ILE CG1 C 26.0 0.2 1 677 . 81 ILE CG2 C 13.7 0.2 1 678 . 81 ILE CD1 C 11.6 0.2 1 679 . 81 ILE N N 123.0 0.2 1 680 . 82 ILE H H 9.31 0.02 1 681 . 82 ILE HB H 1.44 0.02 1 682 . 82 ILE HG2 H 0.84 0.02 1 683 . 82 ILE HD1 H 1.05 0.02 1 684 . 82 ILE CA C 56.9 0.2 1 685 . 82 ILE CB C 39.6 0.2 1 686 . 82 ILE CG2 C 14.1 0.2 1 687 . 82 ILE CD1 C 10.5 0.2 1 688 . 82 ILE N N 126.7 0.2 1 689 . 83 SER H H 9.09 0.02 1 690 . 83 SER HA H 5.52 0.02 1 691 . 83 SER HB2 H 3.85 0.02 2 692 . 83 SER HB3 H 3.67 0.02 2 693 . 83 SER CA C 56.1 0.2 1 694 . 83 SER CB C 64.7 0.2 1 695 . 83 SER N N 122.5 0.2 1 696 . 84 MET H H 9.05 0.02 1 697 . 84 MET HA H 5.17 0.02 1 698 . 84 MET HE H 2.13 0.02 1 699 . 84 MET CA C 52.6 0.2 1 700 . 84 MET CB C 35.7 0.2 1 701 . 84 MET CE C 14.4 0.2 1 702 . 84 MET N N 123.0 0.2 1 703 . 85 VAL H H 9.66 0.02 1 704 . 85 VAL HA H 4.87 0.02 1 705 . 85 VAL HB H 2.21 0.02 1 706 . 85 VAL HG1 H 1.09 0.02 2 707 . 85 VAL HG2 H 1.21 0.02 2 708 . 85 VAL CA C 58.2 0.2 1 709 . 85 VAL CB C 33.6 0.2 1 710 . 85 VAL CG1 C 20.5 0.2 2 711 . 85 VAL CG2 C 19.8 0.2 2 712 . 85 VAL N N 125.7 0.2 1 713 . 86 VAL H H 8.23 0.02 1 714 . 86 VAL HA H 4.37 0.02 1 715 . 86 VAL HB H 1.72 0.02 1 716 . 86 VAL HG1 H 0.58 0.02 2 717 . 86 VAL HG2 H 0.51 0.02 2 718 . 86 VAL CA C 57.2 0.2 1 719 . 86 VAL CB C 31.9 0.2 1 720 . 86 VAL CG1 C 18.8 0.2 2 721 . 86 VAL CG2 C 18.5 0.2 2 722 . 86 VAL N N 121.5 0.2 1 723 . 87 GLY H H 7.19 0.02 1 724 . 87 GLY HA2 H 4.45 0.02 2 725 . 87 GLY HA3 H 3.94 0.02 2 726 . 87 GLY CA C 44.0 0.2 1 727 . 87 GLY N N 111.3 0.2 1 728 . 88 GLN H H 8.97 0.02 1 729 . 88 GLN HA H 5.42 0.02 1 730 . 88 GLN HB2 H 1.77 0.02 2 731 . 88 GLN HE21 H 7.46 0.02 2 732 . 88 GLN HE22 H 6.84 0.02 2 733 . 88 GLN CA C 51.8 0.2 1 734 . 88 GLN CB C 30.8 0.2 1 735 . 88 GLN N N 118.2 0.2 1 736 . 88 GLN NE2 N 111.0 0.2 1 737 . 89 LEU H H 9.76 0.02 1 738 . 89 LEU HA H 5.02 0.02 1 739 . 89 LEU HB2 H 1.30 0.02 2 740 . 89 LEU HB3 H 0.81 0.02 2 741 . 89 LEU HG H 1.29 0.02 1 742 . 89 LEU HD1 H 0.44 0.02 2 743 . 89 LEU HD2 H 0.34 0.02 2 744 . 89 LEU CA C 51.3 0.2 1 745 . 89 LEU CB C 43.2 0.2 1 746 . 89 LEU CG C 23.9 0.2 1 747 . 89 LEU CD1 C 23.9 0.2 2 748 . 89 LEU CD2 C 21.9 0.2 2 749 . 89 LEU N N 121.9 0.2 1 750 . 90 LYS H H 8.20 0.02 1 751 . 90 LYS HA H 4.55 0.02 1 752 . 90 LYS HB2 H 1.78 0.02 2 753 . 90 LYS HB3 H 1.48 0.02 2 754 . 90 LYS CA C 52.5 0.2 1 755 . 90 LYS CB C 33.1 0.2 1 756 . 90 LYS N N 124.2 0.2 1 757 . 91 ALA H H 9.04 0.02 1 758 . 91 ALA HA H 4.94 0.02 1 759 . 91 ALA HB H 0.78 0.02 1 760 . 91 ALA CA C 47.5 0.2 1 761 . 91 ALA CB C 17.9 0.2 1 762 . 91 ALA N N 134.4 0.2 1 763 . 92 ASP H H 8.99 0.02 1 764 . 92 ASP HA H 4.24 0.02 1 765 . 92 ASP HB2 H 2.30 0.02 2 766 . 92 ASP CA C 54.6 0.2 1 767 . 92 ASP CB C 38.0 0.2 1 768 . 92 ASP N N 120.2 0.2 1 769 . 93 GLU H H 8.23 0.02 1 770 . 93 GLU HA H 4.63 0.02 1 771 . 93 GLU HB2 H 2.41 0.02 2 772 . 93 GLU HB3 H 1.84 0.02 2 773 . 93 GLU CA C 52.7 0.2 1 774 . 93 GLU CB C 26.7 0.2 1 775 . 93 GLU N N 121.5 0.2 1 776 . 94 ASP H H 8.50 0.02 1 777 . 94 ASP HA H 4.80 0.02 1 778 . 94 ASP HB2 H 3.14 0.02 2 779 . 94 ASP HB3 H 2.75 0.02 2 780 . 94 ASP CA C 51.6 0.2 1 781 . 94 ASP CB C 41.0 0.2 1 782 . 94 ASP N N 123.8 0.2 1 783 . 95 PRO HB2 H 2.36 0.02 2 784 . 95 PRO HB3 H 1.82 0.02 2 785 . 95 PRO HG2 H 2.07 0.02 2 786 . 95 PRO HG3 H 2.02 0.02 2 787 . 95 PRO HD2 H 3.86 0.02 2 788 . 95 PRO HD3 H 3.60 0.02 2 789 . 95 PRO CA C 60.5 0.2 1 790 . 95 PRO CB C 29.7 0.2 1 791 . 95 PRO CG C 25.5 0.2 1 792 . 95 PRO CD C 48.0 0.2 1 793 . 96 ILE H H 8.22 0.02 1 794 . 96 ILE HA H 4.02 0.02 1 795 . 96 ILE HB H 1.59 0.02 1 796 . 96 ILE HG12 H 1.51 0.02 2 797 . 96 ILE HG13 H 1.00 0.02 2 798 . 96 ILE HG2 H 0.74 0.02 1 799 . 96 ILE HD1 H 0.81 0.02 1 800 . 96 ILE CA C 60.5 0.2 1 801 . 96 ILE CB C 36.3 0.2 1 802 . 96 ILE CG1 C 26.9 0.2 1 803 . 96 ILE CG2 C 15.4 0.2 1 804 . 96 ILE CD1 C 11.4 0.2 1 805 . 96 ILE N N 121.9 0.2 1 806 . 97 MET H H 8.50 0.02 1 807 . 97 MET HA H 4.91 0.02 1 808 . 97 MET HB2 H 2.16 0.02 2 809 . 97 MET HB3 H 1.90 0.02 2 810 . 97 MET HG2 H 2.74 0.02 2 811 . 97 MET HG3 H 2.65 0.02 2 812 . 97 MET HE H 2.10 0.02 1 813 . 97 MET CA C 51.4 0.2 1 814 . 97 MET CB C 34.2 0.2 1 815 . 97 MET CG C 29.5 0.2 1 816 . 97 MET CE C 15.1 0.2 1 817 . 97 MET N N 123.8 0.2 1 818 . 98 GLY H H 8.61 0.02 1 819 . 98 GLY HA2 H 3.40 0.02 2 820 . 98 GLY CA C 42.8 0.2 1 821 . 98 GLY N N 109.4 0.2 1 822 . 99 PHE H H 8.28 0.02 1 823 . 99 PHE HA H 5.04 0.02 1 824 . 99 PHE HB2 H 2.79 0.02 2 825 . 99 PHE HB3 H 2.63 0.02 2 826 . 99 PHE HD1 H 6.60 0.02 4 827 . 99 PHE HD2 H 7.12 0.02 4 828 . 99 PHE HE1 H 5.89 0.02 4 829 . 99 PHE HE2 H 6.41 0.02 4 830 . 99 PHE HZ H 6.84 0.02 4 831 . 99 PHE CA C 54.3 0.2 1 832 . 99 PHE CB C 41.4 0.2 1 833 . 99 PHE CD1 C 125.5 0.2 4 834 . 99 PHE CD2 C 127.3 0.2 4 835 . 99 PHE CE1 C 128.2 0.2 4 836 . 99 PHE CE2 C 128.6 0.2 4 837 . 99 PHE CZ C 130.4 0.2 4 838 . 99 PHE N N 117.2 0.2 1 839 . 100 HIS H H 8.52 0.02 1 840 . 100 HIS HA H 4.94 0.02 1 841 . 100 HIS HD2 H 7.14 0.02 1 842 . 100 HIS HE1 H 7.30 0.02 1 843 . 100 HIS CA C 51.2 0.2 1 844 . 100 HIS CB C 31.1 0.2 1 845 . 100 HIS CD2 C 115.8 0.2 1 846 . 100 HIS CE1 C 135.4 0.2 1 847 . 100 HIS N N 119.0 0.2 1 848 . 101 GLN H H 9.13 0.02 1 849 . 101 GLN HA H 6.09 0.02 1 850 . 101 GLN HE21 H 11.08 0.02 2 851 . 101 GLN HE22 H 6.88 0.02 2 852 . 101 GLN CA C 52.2 0.2 1 853 . 101 GLN N N 124.6 0.2 1 854 . 101 GLN NE2 N 122.8 0.2 1 855 . 102 MET H H 8.20 0.02 1 856 . 102 MET HA H 5.27 0.02 1 857 . 102 MET HE H 1.79 0.02 1 858 . 102 MET CA C 50.9 0.2 1 859 . 102 MET CB C 32.7 0.2 1 860 . 102 MET CE C 15.3 0.2 1 861 . 102 MET N N 124.2 0.2 1 862 . 103 PHE H H 8.81 0.02 1 863 . 103 PHE HA H 5.54 0.02 1 864 . 103 PHE HB2 H 2.90 0.02 2 865 . 103 PHE HB3 H 2.54 0.02 2 866 . 103 PHE HD1 H 5.96 0.02 4 867 . 103 PHE HD2 H 5.96 0.02 4 868 . 103 PHE HE1 H 6.69 0.02 4 869 . 103 PHE HE2 H 6.69 0.02 4 870 . 103 PHE HZ H 6.69 0.02 4 871 . 103 PHE CA C 53.7 0.2 1 872 . 103 PHE CB C 41.6 0.2 1 873 . 103 PHE CD1 C 126.8 0.2 4 874 . 103 PHE CD2 C 126.8 0.2 4 875 . 103 PHE CE1 C 128.3 0.2 4 876 . 103 PHE CE2 C 128.3 0.2 4 877 . 103 PHE CZ C 128.3 0.2 4 878 . 103 PHE N N 117.5 0.2 1 879 . 104 LEU H H 8.85 0.02 1 880 . 104 LEU HA H 5.35 0.02 1 881 . 104 LEU HB2 H 2.24 0.02 2 882 . 104 LEU HG H 1.54 0.02 1 883 . 104 LEU HD1 H 0.99 0.02 2 884 . 104 LEU HD2 H 0.96 0.02 2 885 . 104 LEU CA C 52.0 0.2 1 886 . 104 LEU CB C 43.9 0.2 1 887 . 104 LEU CG C 25.7 0.2 1 888 . 104 LEU CD1 C 24.6 0.2 2 889 . 104 LEU CD2 C 23.0 0.2 2 890 . 104 LEU N N 122.5 0.2 1 891 . 105 LEU H H 9.75 0.02 1 892 . 105 LEU HA H 5.60 0.02 1 893 . 105 LEU HB2 H 1.96 0.02 2 894 . 105 LEU HB3 H 1.28 0.02 2 895 . 105 LEU HD1 H 0.23 0.02 2 896 . 105 LEU HD2 H -0.39 0.02 2 897 . 105 LEU CA C 50.6 0.2 1 898 . 105 LEU CB C 43.1 0.2 1 899 . 105 LEU CD1 C 22.4 0.2 2 900 . 105 LEU CD2 C 18.5 0.2 2 901 . 105 LEU N N 125.8 0.2 1 902 . 106 LYS H H 9.34 0.02 1 903 . 106 LYS HA H 4.84 0.02 1 904 . 106 LYS HB2 H 1.80 0.02 2 905 . 106 LYS HB3 H 1.53 0.02 2 906 . 106 LYS HG2 H 1.83 0.02 2 907 . 106 LYS HG3 H 1.75 0.02 2 908 . 106 LYS CA C 52.7 0.2 1 909 . 106 LYS CB C 36.3 0.2 1 910 . 106 LYS CG C 23.3 0.2 1 911 . 106 LYS N N 122.4 0.2 1 912 . 107 ASN H H 8.31 0.02 1 913 . 107 ASN HA H 4.26 0.02 1 914 . 107 ASN HB2 H 1.76 0.02 2 915 . 107 ASN HB3 H 1.52 0.02 2 916 . 107 ASN HD21 H 6.27 0.02 2 917 . 107 ASN CA C 49.8 0.2 1 918 . 107 ASN CB C 35.6 0.2 1 919 . 107 ASN N N 126.3 0.2 1 920 . 107 ASN ND2 N 106.7 0.2 1 921 . 108 ILE H H 8.62 0.02 1 922 . 108 ILE HA H 4.09 0.02 1 923 . 108 ILE HB H 1.58 0.02 1 924 . 108 ILE HG12 H 1.26 0.02 2 925 . 108 ILE HG13 H 0.92 0.02 2 926 . 108 ILE HG2 H 0.80 0.02 1 927 . 108 ILE HD1 H 0.73 0.02 1 928 . 108 ILE CA C 58.0 0.2 1 929 . 108 ILE CB C 37.6 0.2 1 930 . 108 ILE CG1 C 24.6 0.2 1 931 . 108 ILE CG2 C 14.4 0.2 1 932 . 108 ILE CD1 C 10.9 0.2 1 933 . 108 ILE N N 127.5 0.2 1 934 . 109 ASN H H 9.18 0.02 1 935 . 109 ASN HA H 4.24 0.02 1 936 . 109 ASN HB2 H 2.99 0.02 2 937 . 109 ASN HB3 H 2.77 0.02 2 938 . 109 ASN HD21 H 7.59 0.02 2 939 . 109 ASN HD22 H 6.84 0.02 2 940 . 109 ASN CA C 52.3 0.2 1 941 . 109 ASN CB C 34.5 0.2 1 942 . 109 ASN N N 125.4 0.2 1 943 . 109 ASN ND2 N 112.4 0.2 1 944 . 110 ASP H H 8.11 0.02 1 945 . 110 ASP HA H 4.26 0.02 1 946 . 110 ASP HB2 H 2.93 0.02 2 947 . 110 ASP HB3 H 2.73 0.02 2 948 . 110 ASP CA C 53.7 0.2 1 949 . 110 ASP CB C 37.3 0.2 1 950 . 110 ASP N N 111.0 0.2 1 951 . 111 ALA H H 7.39 0.02 1 952 . 111 ALA HA H 4.57 0.02 1 953 . 111 ALA HB H 1.32 0.02 1 954 . 111 ALA CA C 48.8 0.2 1 955 . 111 ALA CB C 19.4 0.2 1 956 . 111 ALA N N 121.4 0.2 1 957 . 112 TRP H H 8.47 0.02 1 958 . 112 TRP HA H 4.78 0.02 1 959 . 112 TRP HB2 H 3.03 0.02 2 960 . 112 TRP HB3 H 2.84 0.02 2 961 . 112 TRP HD1 H 7.20 0.02 1 962 . 112 TRP HE1 H 10.21 0.02 1 963 . 112 TRP HE3 H 7.16 0.02 1 964 . 112 TRP HZ2 H 7.48 0.02 1 965 . 112 TRP HZ3 H 7.05 0.02 1 966 . 112 TRP HH2 H 7.32 0.02 1 967 . 112 TRP CA C 55.3 0.2 1 968 . 112 TRP CB C 26.2 0.2 1 969 . 112 TRP CD1 C 124.5 0.2 1 970 . 112 TRP CE3 C 117.7 0.2 1 971 . 112 TRP CZ2 C 112.5 0.2 1 972 . 112 TRP CZ3 C 119.8 0.2 1 973 . 112 TRP CH2 C 122.7 0.2 1 974 . 112 TRP N N 121.4 0.2 1 975 . 112 TRP NE1 N 128.6 0.2 1 976 . 113 VAL H H 9.03 0.02 1 977 . 113 VAL HA H 4.79 0.02 1 978 . 113 VAL HB H 2.02 0.02 1 979 . 113 VAL HG1 H 1.00 0.02 2 980 . 113 VAL HG2 H 0.84 0.02 2 981 . 113 VAL CA C 56.8 0.2 1 982 . 113 VAL CB C 32.6 0.2 1 983 . 113 VAL CG1 C 15.1 0.2 2 984 . 113 VAL CG2 C 16.5 0.2 2 985 . 113 VAL N N 118.2 0.2 1 986 . 114 CYS H H 9.10 0.02 1 987 . 114 CYS HA H 5.20 0.02 1 988 . 114 CYS HB2 H 2.68 0.02 2 989 . 114 CYS CA C 55.6 0.2 1 990 . 114 CYS CB C 25.8 0.2 1 991 . 114 CYS N N 120.2 0.2 1 992 . 115 THR H H 9.27 0.02 1 993 . 115 THR HA H 4.33 0.02 1 994 . 115 THR HB H 3.90 0.02 1 995 . 115 THR HG2 H 1.16 0.02 1 996 . 115 THR CA C 61.5 0.2 1 997 . 115 THR CB C 66.2 0.2 1 998 . 115 THR CG2 C 20.1 0.2 1 999 . 115 THR N N 118.5 0.2 1 1000 . 116 ASN H H 7.86 0.02 1 1001 . 116 ASN HA H 5.71 0.02 1 1002 . 116 ASN HB2 H 3.05 0.02 2 1003 . 116 ASN HB3 H 2.25 0.02 2 1004 . 116 ASN HD21 H 8.54 0.02 2 1005 . 116 ASN HD22 H 6.10 0.02 2 1006 . 116 ASN CA C 52.4 0.2 1 1007 . 116 ASN CB C 39.1 0.2 1 1008 . 116 ASN N N 123.8 0.2 1 1009 . 116 ASN ND2 N 110.6 0.2 1 1010 . 117 ASP H H 8.63 0.02 1 1011 . 117 ASP HA H 5.65 0.02 1 1012 . 117 ASP HB2 H 2.94 0.02 2 1013 . 117 ASP HB3 H 2.97 0.02 2 1014 . 117 ASP CA C 50.7 0.2 1 1015 . 117 ASP CB C 43.5 0.2 1 1016 . 117 ASP N N 125.7 0.2 1 1017 . 118 MET H H 8.93 0.02 1 1018 . 118 MET HA H 5.48 0.02 1 1019 . 118 MET HB2 H 2.03 0.02 2 1020 . 118 MET HG2 H 2.21 0.02 2 1021 . 118 MET HE H 1.81 0.02 1 1022 . 118 MET CA C 53.2 0.2 1 1023 . 118 MET CB C 35.9 0.2 1 1024 . 118 MET CG C 31.7 0.2 1 1025 . 118 MET CE C 16.5 0.2 1 1026 . 118 MET N N 126.3 0.2 1 1027 . 119 PHE H H 8.90 0.02 1 1028 . 119 PHE HA H 5.10 0.02 1 1029 . 119 PHE HB2 H 2.88 0.02 2 1030 . 119 PHE HB3 H 2.32 0.02 2 1031 . 119 PHE CA C 55.0 0.2 1 1032 . 119 PHE CB C 42.3 0.2 1 1033 . 119 PHE N N 121.3 0.2 1 1034 . 120 ARG H H 8.15 0.02 1 1035 . 120 ARG HA H 4.21 0.02 1 1036 . 120 ARG HB2 H 1.34 0.02 2 1037 . 120 ARG HB3 H 1.28 0.02 2 1038 . 120 ARG CA C 52.3 0.2 1 1039 . 120 ARG CB C 32.7 0.2 1 1040 . 120 ARG N N 130.1 0.2 1 1041 . 121 LEU H H 8.93 0.02 1 1042 . 121 LEU HA H 4.28 0.02 1 1043 . 121 LEU HB2 H 1.73 0.02 2 1044 . 121 LEU HB3 H 1.35 0.02 2 1045 . 121 LEU HG H 1.30 0.02 1 1046 . 121 LEU HD1 H 1.03 0.02 2 1047 . 121 LEU HD2 H 1.01 0.02 2 1048 . 121 LEU CA C 52.1 0.2 1 1049 . 121 LEU CB C 40.7 0.2 1 1050 . 121 LEU CG C 20.1 0.2 1 1051 . 121 LEU CD1 C 23.3 0.2 2 1052 . 121 LEU CD2 C 22.1 0.2 2 1053 . 121 LEU N N 124.0 0.2 1 1054 . 122 ALA H H 8.13 0.02 1 1055 . 122 ALA HA H 4.19 0.02 1 1056 . 122 ALA HB H 1.05 0.02 1 1057 . 122 ALA CA C 49.1 0.2 1 1058 . 122 ALA CB C 16.9 0.2 1 1059 . 122 ALA N N 124.3 0.2 1 1060 . 123 LEU H H 8.01 0.02 1 1061 . 123 LEU HA H 4.29 0.02 1 1062 . 123 LEU HB2 H 1.47 0.02 2 1063 . 123 LEU HB3 H 1.41 0.02 2 1064 . 123 LEU HG H 0.85 0.02 1 1065 . 123 LEU HD1 H 0.84 0.02 2 1066 . 123 LEU HD2 H 0.82 0.02 2 1067 . 123 LEU CA C 52.8 0.2 1 1068 . 123 LEU CB C 40.1 0.2 1 1069 . 123 LEU CD1 C 22.8 0.2 2 1070 . 123 LEU CD2 C 21.2 0.2 2 1071 . 123 LEU N N 121.9 0.2 1 1072 . 124 HIS H H 8.20 0.02 1 1073 . 124 HIS HA H 4.51 0.02 1 1074 . 124 HIS HB2 H 2.88 0.02 2 1075 . 124 HIS HD2 H 6.86 0.02 1 1076 . 124 HIS HE1 H 8.08 0.02 1 1077 . 124 HIS CA C 53.1 0.2 1 1078 . 124 HIS CB C 28.4 0.2 1 1079 . 124 HIS CD2 C 117.2 0.2 1 1080 . 124 HIS CE1 C 135.1 0.2 1 1081 . 124 HIS N N 119.1 0.2 1 1082 . 125 ASN H H 8.16 0.02 1 1083 . 125 ASN HA H 4.63 0.02 1 1084 . 125 ASN HB2 H 2.67 0.02 2 1085 . 125 ASN HB3 H 2.57 0.02 2 1086 . 125 ASN HD21 H 7.49 0.02 2 1087 . 125 ASN HD22 H 6.80 0.02 2 1088 . 125 ASN CA C 50.6 0.2 1 1089 . 125 ASN CB C 36.6 0.2 1 1090 . 125 ASN N N 119.1 0.2 1 1091 . 125 ASN ND2 N 112.1 0.2 1 1092 . 126 PHE H H 8.26 0.02 1 1093 . 126 PHE HA H 4.64 0.02 1 1094 . 126 PHE HB2 H 3.18 0.02 2 1095 . 126 PHE HB3 H 2.94 0.02 2 1096 . 126 PHE CA C 55.3 0.2 1 1097 . 126 PHE CB C 37.3 0.2 1 1098 . 126 PHE N N 120.7 0.2 1 1099 . 127 GLY H H 7.98 0.02 1 1100 . 127 GLY HA2 H 3.78 0.02 2 1101 . 127 GLY HA3 H 3.70 0.02 2 1102 . 127 GLY CA C 43.9 0.2 1 1103 . 127 GLY N N 115.6 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 115 '114,113,112,111' '122,121,120,119,118' '833,832,831,830,829' '840,839,838,837,836' '873,872,871,870,869' '880,879,878,877,876' stop_ save_