data_25288 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML) ; _BMRB_accession_number 25288 _BMRB_flat_file_name bmr25288.str _Entry_type original _Submission_date 2014-10-17 _Accession_date 2014-10-17 _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 Huang Shu-Yu . . 2 Naik Mandar T. . 3 Fan Pei-Ju . . 4 Wang Ying-Hui . . 5 Chang Chi-Fon . . 6 Huang Tai-Huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 362 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-25 update BMRB 'update entry citation' 2014-11-10 original author 'original release' stop_ _Original_release_date 2015-08-25 save_ ############################# # Citation for this entry # ############################# save_PML_B1_box _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure note: The B-box 1 dimer of human promyelocytic leukemia protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25355412 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Shu-Yu . . 2 Naik Mandar T. . 3 Wang Ying-Hui . . 4 Chang Chi-Fon . . 5 Fan Pei-Ju . . 6 Shih Hsiu-Ming . . 7 Huang Tai-Huang . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 60 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 275 _Page_last 281 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1_1 $entity_1 entity_1_2 $entity_1 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN 'ZINC ION_3' $entity_ZN 'ZINC ION_4' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 5941.833 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; GSRQIVDAQAVCTRCKESAD FWCFECEQLLCAKCFEAHQW FLKHEARPLAE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 118 GLY 2 119 SER 3 120 ARG 4 121 GLN 5 122 ILE 6 123 VAL 7 124 ASP 8 125 ALA 9 126 GLN 10 127 ALA 11 128 VAL 12 129 CYS 13 130 THR 14 131 ARG 15 132 CYS 16 133 LYS 17 134 GLU 18 135 SER 19 136 ALA 20 137 ASP 21 138 PHE 22 139 TRP 23 140 CYS 24 141 PHE 25 142 GLU 26 143 CYS 27 144 GLU 28 145 GLN 29 146 LEU 30 147 LEU 31 148 CYS 32 149 ALA 33 150 LYS 34 151 CYS 35 152 PHE 36 153 GLU 37 154 ALA 38 155 HIS 39 156 GLN 40 157 TRP 41 158 PHE 42 159 LEU 43 160 LYS 44 161 HIS 45 162 GLU 46 163 ALA 47 164 ARG 48 165 PRO 49 166 LEU 50 167 ALA 51 168 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MVW "Solution Structure Of The Trim19 B-box1 (b1) Of Human Promyelocytic Leukemia (pml)" 100.00 51 100.00 100.00 1.97e-27 DBJ BAD92187 "promyelocytic leukemia protein isoform 11 variant [Homo sapiens]" 96.08 571 100.00 100.00 3.58e-25 DBJ BAD92288 "promyelocytic leukemia protein isoform 8 variant [Homo sapiens]" 96.08 372 100.00 100.00 5.99e-25 DBJ BAD92648 "promyelocytic leukemia protein isoform 1 variant [Homo sapiens]" 96.08 862 100.00 100.00 2.83e-25 DBJ BAG10798 "promyelocytic leukemia [synthetic construct]" 96.08 834 100.00 100.00 3.23e-25 DBJ BAG62579 "unnamed protein product [Homo sapiens]" 90.20 405 100.00 100.00 1.57e-23 EMBL CAA44841 "My1 (PML) [Homo sapiens]" 96.08 633 100.00 100.00 2.79e-25 GB AAA59972 "fusion protein [Homo sapiens]" 96.08 744 100.00 100.00 1.77e-25 GB AAA60125 "PML-1 protein [Homo sapiens]" 96.08 560 100.00 100.00 2.45e-25 GB AAA60126 "PML-RAR protein [Homo sapiens]" 96.08 797 100.00 100.00 6.23e-25 GB AAA60351 "PML-2 [Homo sapiens]" 96.08 589 100.00 100.00 2.44e-25 GB AAA60352 "putative [Homo sapiens]" 96.08 538 100.00 100.00 3.04e-25 PIR S42517 "PML protein, splice form 2 - human" 96.08 589 100.00 100.00 2.32e-25 PIR S42518 "PML protein, splice form 3 - human" 96.08 802 100.00 100.00 2.15e-25 PIR S44380 "PML protein, splice form 1 - human" 96.08 860 100.00 100.00 3.02e-25 REF NP_001035900 "protein PML [Pan troglodytes]" 96.08 884 100.00 100.00 3.19e-25 REF NP_001266170 "protein PML [Pan paniscus]" 96.08 884 100.00 100.00 3.19e-25 REF NP_001266654 "promyelocytic leukemia [Gorilla gorilla]" 96.08 882 100.00 100.00 3.06e-25 REF NP_001267024 "protein PML [Nomascus leucogenys]" 96.08 882 100.00 100.00 3.03e-25 REF NP_002666 "protein PML isoform 6 [Homo sapiens]" 96.08 633 100.00 100.00 2.79e-25 SP P29590 "RecName: Full=Protein PML; AltName: Full=Promyelocytic leukemia protein; AltName: Full=RING finger protein 71; AltName: Full=Tr" 96.08 882 100.00 100.00 3.06e-25 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . pGEX4T-1 $entity_ZN 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' TRIS 25 mM '[U-98% 2H]' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.2 mM 'natural abundance' $entity_ZN 1 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 $entity_1 1 mM '[U-99% 13C; U-99% 15N]' TRIS 25 mM '[U-98% 2H]' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.2 mM 'natural abundance' $entity_ZN 1 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 $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' $entity_1 0.5 mM 'natural abundance' TRIS 25 mM '[U-98% 2H]' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.2 mM 'natural abundance' $entity_ZN 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.9 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.26 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version 3.5.4 loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 1.2009.0721.18 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Torsion angles prediction' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Uniform NMR System' _Field_strength 600 _Details 'equipped with a cryoprobe' save_ save_AV800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Uniform NMR System' _Field_strength 800 _Details 'equipped with a cryoprobe' save_ save_AV850 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Uniform NMR System' _Field_strength 850 _Details 'equipped with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_13C-edited/12C-filtered_3D_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited/12C-filtered 3D NOESY-HSQC' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N TOCSY' '2D 1H-1H COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1_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 1 118 1 GLY HA2 H 3.876 0.040 2 2 118 1 GLY HA3 H 3.876 0.040 2 3 118 1 GLY CA C 43.796 0.400 1 4 119 2 SER HA H 4.498 0.040 1 5 119 2 SER HB2 H 3.858 0.040 2 6 119 2 SER HB3 H 3.858 0.040 2 7 119 2 SER CA C 58.552 0.400 1 8 119 2 SER CB C 64.262 0.400 1 9 120 3 ARG H H 8.444 0.040 1 10 120 3 ARG HA H 4.250 0.040 1 11 120 3 ARG HB2 H 1.727 0.040 2 12 120 3 ARG HB3 H 1.608 0.040 2 13 120 3 ARG HG2 H 1.501 0.040 2 14 120 3 ARG HG3 H 1.501 0.040 2 15 120 3 ARG HD2 H 3.078 0.040 2 16 120 3 ARG HD3 H 3.078 0.040 2 17 120 3 ARG CA C 56.516 0.400 1 18 120 3 ARG CB C 30.959 0.400 1 19 120 3 ARG CG C 27.211 0.400 1 20 120 3 ARG CD C 43.516 0.400 1 21 120 3 ARG N N 122.938 0.400 1 22 121 4 GLN H H 8.400 0.040 1 23 121 4 GLN HA H 4.250 0.040 1 24 121 4 GLN HB2 H 1.956 0.040 2 25 121 4 GLN HB3 H 1.956 0.040 2 26 121 4 GLN HG2 H 2.211 0.040 2 27 121 4 GLN HG3 H 2.211 0.040 2 28 121 4 GLN HE21 H 6.800 0.040 2 29 121 4 GLN HE22 H 7.455 0.040 2 30 121 4 GLN CA C 56.222 0.400 1 31 121 4 GLN CB C 29.382 0.400 1 32 121 4 GLN CG C 33.959 0.400 1 33 121 4 GLN N N 122.309 0.400 1 34 121 4 GLN NE2 N 112.418 0.400 1 35 122 5 ILE H H 8.131 0.040 1 36 122 5 ILE HA H 4.067 0.040 1 37 122 5 ILE HB H 1.762 0.040 1 38 122 5 ILE HG12 H 1.376 0.040 2 39 122 5 ILE HG13 H 1.066 0.040 2 40 122 5 ILE HG2 H 0.789 0.040 1 41 122 5 ILE HD1 H 0.762 0.040 1 42 122 5 ILE CA C 61.266 0.400 1 43 122 5 ILE CB C 38.646 0.400 1 44 122 5 ILE CG1 C 27.398 0.400 1 45 122 5 ILE CG2 C 17.653 0.400 1 46 122 5 ILE CD1 C 12.861 0.400 1 47 122 5 ILE N N 122.804 0.400 1 48 123 6 VAL H H 8.087 0.040 1 49 123 6 VAL HA H 4.045 0.040 1 50 123 6 VAL HB H 2.000 0.040 1 51 123 6 VAL HG1 H 0.838 0.040 2 52 123 6 VAL HG2 H 0.825 0.040 2 53 123 6 VAL CA C 62.321 0.400 1 54 123 6 VAL CB C 32.993 0.400 1 55 123 6 VAL CG1 C 21.340 0.400 2 56 123 6 VAL CG2 C 20.561 0.400 2 57 123 6 VAL N N 123.773 0.400 1 58 124 7 ASP H H 8.202 0.040 1 59 124 7 ASP HA H 4.521 0.040 1 60 124 7 ASP HB2 H 2.665 0.040 2 61 124 7 ASP HB3 H 2.571 0.040 2 62 124 7 ASP CA C 54.446 0.400 1 63 124 7 ASP CB C 41.477 0.400 1 64 124 7 ASP N N 124.000 0.400 1 65 125 8 ALA H H 8.166 0.040 1 66 125 8 ALA HA H 4.211 0.040 1 67 125 8 ALA HB H 1.356 0.040 1 68 125 8 ALA CA C 53.047 0.400 1 69 125 8 ALA CB C 19.371 0.400 1 70 125 8 ALA N N 123.995 0.400 1 71 126 9 GLN H H 8.230 0.040 1 72 126 9 GLN HA H 4.251 0.040 1 73 126 9 GLN HB2 H 1.960 0.040 2 74 126 9 GLN HB3 H 1.960 0.040 2 75 126 9 GLN HG2 H 2.307 0.040 2 76 126 9 GLN HG3 H 2.307 0.040 2 77 126 9 GLN HE21 H 6.829 0.040 2 78 126 9 GLN HE22 H 7.566 0.040 2 79 126 9 GLN CA C 55.763 0.400 1 80 126 9 GLN CB C 29.465 0.400 1 81 126 9 GLN CG C 34.229 0.400 1 82 126 9 GLN N N 118.018 0.400 1 83 126 9 GLN NE2 N 112.567 0.400 1 84 127 10 ALA H H 8.186 0.040 1 85 127 10 ALA HA H 4.366 0.040 1 86 127 10 ALA HB H 1.307 0.040 1 87 127 10 ALA CA C 52.164 0.400 1 88 127 10 ALA CB C 19.211 0.400 1 89 127 10 ALA N N 125.931 0.400 1 90 128 11 VAL H H 8.088 0.040 1 91 128 11 VAL HA H 4.513 0.040 1 92 128 11 VAL HB H 1.815 0.040 1 93 128 11 VAL HG1 H 0.768 0.040 2 94 128 11 VAL HG2 H 0.759 0.040 2 95 128 11 VAL CA C 60.004 0.400 1 96 128 11 VAL CB C 35.031 0.400 1 97 128 11 VAL CG1 C 21.661 0.400 2 98 128 11 VAL CG2 C 18.972 0.400 2 99 128 11 VAL N N 119.197 0.400 1 100 129 12 CYS H H 9.322 0.040 1 101 129 12 CYS HA H 3.808 0.040 1 102 129 12 CYS HB2 H 3.231 0.040 2 103 129 12 CYS HB3 H 2.683 0.040 2 104 129 12 CYS CA C 59.537 0.400 1 105 129 12 CYS CB C 31.356 0.400 1 106 129 12 CYS N N 124.743 0.400 1 107 130 13 THR HA H 4.032 0.040 1 108 130 13 THR HB H 4.331 0.040 1 109 130 13 THR HG2 H 1.611 0.040 1 110 130 13 THR CA C 66.242 0.400 1 111 130 13 THR CB C 70.094 0.400 1 112 130 13 THR CG2 C 23.132 0.400 1 113 131 14 ARG H H 8.561 0.040 1 114 131 14 ARG HA H 4.227 0.040 1 115 131 14 ARG HB2 H 1.919 0.040 2 116 131 14 ARG HB3 H 1.919 0.040 2 117 131 14 ARG HG2 H 1.654 0.040 2 118 131 14 ARG HG3 H 1.654 0.040 2 119 131 14 ARG HD2 H 3.204 0.040 2 120 131 14 ARG HD3 H 3.204 0.040 2 121 131 14 ARG CA C 58.744 0.400 1 122 131 14 ARG CB C 30.557 0.400 1 123 131 14 ARG CG C 27.178 0.400 1 124 131 14 ARG CD C 43.513 0.400 1 125 131 14 ARG N N 121.745 0.400 1 126 132 15 CYS H H 8.109 0.040 1 127 132 15 CYS HA H 4.878 0.040 1 128 132 15 CYS HB2 H 3.210 0.040 2 129 132 15 CYS HB3 H 2.275 0.040 2 130 132 15 CYS CA C 59.151 0.400 1 131 132 15 CYS CB C 33.078 0.400 1 132 132 15 CYS N N 118.014 0.400 1 133 133 16 LYS H H 7.904 0.040 1 134 133 16 LYS HA H 4.120 0.040 1 135 133 16 LYS HB2 H 2.158 0.040 2 136 133 16 LYS HB3 H 1.989 0.040 2 137 133 16 LYS HG2 H 1.258 0.040 2 138 133 16 LYS HG3 H 1.381 0.040 2 139 133 16 LYS HD2 H 1.559 0.040 2 140 133 16 LYS HD3 H 1.707 0.040 2 141 133 16 LYS HE2 H 2.963 0.040 2 142 133 16 LYS HE3 H 2.963 0.040 2 143 133 16 LYS CA C 58.598 0.400 1 144 133 16 LYS CB C 29.610 0.400 1 145 133 16 LYS CG C 25.646 0.400 1 146 133 16 LYS CD C 28.819 0.400 1 147 133 16 LYS CE C 42.747 0.400 1 148 133 16 LYS N N 116.830 0.400 1 149 134 17 GLU H H 8.310 0.040 1 150 134 17 GLU HA H 4.487 0.040 1 151 134 17 GLU HB2 H 2.260 0.040 2 152 134 17 GLU HB3 H 2.051 0.040 2 153 134 17 GLU HG2 H 2.603 0.040 2 154 134 17 GLU HG3 H 2.453 0.040 2 155 134 17 GLU CA C 56.698 0.400 1 156 134 17 GLU CB C 30.348 0.400 1 157 134 17 GLU CG C 37.695 0.400 1 158 134 17 GLU N N 120.535 0.400 1 159 135 18 SER H H 8.742 0.040 1 160 135 18 SER HA H 4.174 0.040 1 161 135 18 SER HB2 H 3.893 0.040 2 162 135 18 SER HB3 H 3.844 0.040 2 163 135 18 SER CA C 60.751 0.400 1 164 135 18 SER CB C 63.244 0.400 1 165 135 18 SER N N 115.563 0.400 1 166 136 19 ALA H H 8.009 0.040 1 167 136 19 ALA HA H 3.859 0.040 1 168 136 19 ALA HB H 1.034 0.040 1 169 136 19 ALA CA C 52.204 0.400 1 170 136 19 ALA CB C 21.431 0.400 1 171 136 19 ALA N N 123.998 0.400 1 172 137 20 ASP H H 8.253 0.040 1 173 137 20 ASP HA H 4.852 0.040 1 174 137 20 ASP HB2 H 2.146 0.040 2 175 137 20 ASP HB3 H 2.254 0.040 2 176 137 20 ASP CA C 55.423 0.400 1 177 137 20 ASP CB C 47.153 0.400 1 178 137 20 ASP N N 117.156 0.400 1 179 138 21 PHE H H 8.610 0.040 1 180 138 21 PHE HA H 4.984 0.040 1 181 138 21 PHE HB2 H 2.279 0.040 2 182 138 21 PHE HB3 H 2.198 0.040 2 183 138 21 PHE HD1 H 6.499 0.040 3 184 138 21 PHE HD2 H 6.350 0.040 3 185 138 21 PHE HE1 H 7.001 0.040 3 186 138 21 PHE HE2 H 7.001 0.040 3 187 138 21 PHE HZ H 7.129 0.040 1 188 138 21 PHE CA C 57.474 0.400 1 189 138 21 PHE CB C 45.110 0.400 1 190 138 21 PHE CD1 C 130.844 0.400 3 191 138 21 PHE CD2 C 130.944 0.400 3 192 138 21 PHE CE1 C 130.980 0.400 1 193 138 21 PHE CE2 C 130.980 0.400 1 194 138 21 PHE CZ C 130.027 0.400 1 195 138 21 PHE N N 118.473 0.400 1 196 139 22 TRP H H 9.011 0.040 1 197 139 22 TRP HA H 5.339 0.040 1 198 139 22 TRP HB2 H 2.921 0.040 2 199 139 22 TRP HB3 H 2.784 0.040 2 200 139 22 TRP HD1 H 5.944 0.040 1 201 139 22 TRP HE1 H 9.537 0.040 1 202 139 22 TRP HE3 H 7.192 0.040 1 203 139 22 TRP HZ2 H 7.364 0.040 1 204 139 22 TRP HZ3 H 6.875 0.040 1 205 139 22 TRP HH2 H 7.023 0.040 1 206 139 22 TRP CA C 55.393 0.400 1 207 139 22 TRP CB C 33.204 0.400 1 208 139 22 TRP CD1 C 127.094 0.400 1 209 139 22 TRP CE3 C 120.979 0.400 1 210 139 22 TRP CZ2 C 114.021 0.400 1 211 139 22 TRP CZ3 C 121.121 0.400 1 212 139 22 TRP CH2 C 124.442 0.400 1 213 139 22 TRP N N 121.148 0.400 1 214 139 22 TRP NE1 N 128.582 0.040 1 215 140 23 CYS H H 7.967 0.040 1 216 140 23 CYS HA H 4.641 0.040 1 217 140 23 CYS HB2 H 2.652 0.040 2 218 140 23 CYS HB3 H 2.298 0.040 2 219 140 23 CYS CA C 58.317 0.400 1 220 140 23 CYS CB C 30.183 0.400 1 221 140 23 CYS N N 126.463 0.400 1 222 141 24 PHE H H 8.607 0.040 1 223 141 24 PHE HA H 4.030 0.040 1 224 141 24 PHE HB2 H 3.098 0.040 2 225 141 24 PHE HB3 H 3.216 0.040 2 226 141 24 PHE HD1 H 7.290 0.040 3 227 141 24 PHE HD2 H 7.290 0.040 3 228 141 24 PHE HE1 H 7.407 0.040 3 229 141 24 PHE HE2 H 7.407 0.040 3 230 141 24 PHE HZ H 7.398 0.040 1 231 141 24 PHE CA C 61.167 0.400 1 232 141 24 PHE CB C 39.627 0.400 1 233 141 24 PHE CD1 C 130.160 0.400 1 234 141 24 PHE CD2 C 130.160 0.400 1 235 141 24 PHE CE1 C 131.805 0.400 1 236 141 24 PHE CE2 C 131.805 0.400 1 237 141 24 PHE CZ C 130.232 0.400 1 238 141 24 PHE N N 127.283 0.400 1 239 142 25 GLU H H 8.435 0.040 1 240 142 25 GLU HA H 4.026 0.040 1 241 142 25 GLU HB2 H 1.257 0.040 2 242 142 25 GLU HB3 H 0.893 0.040 2 243 142 25 GLU HG2 H 2.031 0.040 2 244 142 25 GLU HG3 H 1.881 0.040 2 245 142 25 GLU CA C 59.668 0.400 1 246 142 25 GLU CB C 29.434 0.400 1 247 142 25 GLU CG C 37.780 0.400 1 248 142 25 GLU N N 121.245 0.400 1 249 143 26 CYS H H 9.099 0.040 1 250 143 26 CYS HA H 4.100 0.040 1 251 143 26 CYS HB2 H 2.990 0.040 2 252 143 26 CYS HB3 H 2.599 0.040 2 253 143 26 CYS CA C 62.538 0.400 1 254 143 26 CYS CB C 30.090 0.400 1 255 143 26 CYS N N 121.811 0.400 1 256 144 27 GLU H H 7.440 0.040 1 257 144 27 GLU HB2 H 2.216 0.040 2 258 144 27 GLU HB3 H 2.109 0.040 2 259 144 27 GLU HG2 H 2.106 0.040 2 260 144 27 GLU HG3 H 2.106 0.040 2 261 144 27 GLU CA C 57.164 0.400 1 262 144 27 GLU CB C 26.836 0.400 1 263 144 27 GLU CG C 37.393 0.400 1 264 144 27 GLU N N 115.924 0.400 1 265 145 28 GLN H H 6.085 0.040 1 266 145 28 GLN HA H 4.600 0.040 1 267 145 28 GLN HB2 H 1.378 0.040 2 268 145 28 GLN HB3 H 1.378 0.040 2 269 145 28 GLN HG2 H 2.396 0.040 2 270 145 28 GLN HG3 H 2.396 0.040 2 271 145 28 GLN HE21 H 7.269 0.040 2 272 145 28 GLN HE22 H 6.542 0.040 2 273 145 28 GLN CA C 54.491 0.400 1 274 145 28 GLN CB C 33.422 0.400 1 275 145 28 GLN CG C 34.266 0.400 1 276 145 28 GLN N N 113.001 0.400 1 277 145 28 GLN NE2 N 108.721 0.400 1 278 146 29 LEU H H 8.170 0.040 1 279 146 29 LEU HA H 5.237 0.040 1 280 146 29 LEU HB2 H 2.119 0.040 2 281 146 29 LEU HB3 H 1.118 0.040 2 282 146 29 LEU HG H 1.015 0.040 1 283 146 29 LEU HD1 H 1.007 0.040 2 284 146 29 LEU HD2 H 0.983 0.040 2 285 146 29 LEU CA C 53.900 0.400 1 286 146 29 LEU CB C 44.522 0.400 1 287 146 29 LEU CG C 26.784 0.400 1 288 146 29 LEU CD1 C 25.937 0.400 2 289 146 29 LEU CD2 C 25.940 0.400 2 290 146 29 LEU N N 123.312 0.400 1 291 147 30 LEU H H 9.056 0.040 1 292 147 30 LEU HB2 H 1.753 0.040 2 293 147 30 LEU HB3 H 1.533 0.040 2 294 147 30 LEU HG H 0.586 0.040 1 295 147 30 LEU HD1 H 1.200 0.040 2 296 147 30 LEU HD2 H 1.598 0.040 2 297 147 30 LEU CA C 53.817 0.400 1 298 147 30 LEU CB C 48.428 0.400 1 299 147 30 LEU CG C 26.984 0.400 1 300 147 30 LEU CD1 C 24.622 0.400 2 301 147 30 LEU CD2 C 27.287 0.400 2 302 147 30 LEU N N 121.220 0.400 1 303 148 31 CYS H H 9.563 0.040 1 304 148 31 CYS HA H 5.192 0.040 1 305 148 31 CYS HB2 H 2.917 0.040 2 306 148 31 CYS HB3 H 3.499 0.040 2 307 148 31 CYS CA C 58.887 0.400 1 308 148 31 CYS CB C 32.246 0.400 1 309 148 31 CYS N N 122.181 0.400 1 310 149 32 ALA H H 9.755 0.040 1 311 149 32 ALA HA H 4.367 0.040 1 312 149 32 ALA HB H 1.693 0.040 1 313 149 32 ALA CA C 56.620 0.400 1 314 149 32 ALA CB C 18.723 0.400 1 315 149 32 ALA N N 122.470 0.400 1 316 150 33 LYS H H 8.164 0.040 1 317 150 33 LYS HA H 4.246 0.040 1 318 150 33 LYS HB2 H 1.996 0.040 2 319 150 33 LYS HB3 H 2.060 0.040 2 320 150 33 LYS HG2 H 1.503 0.040 2 321 150 33 LYS HG3 H 1.635 0.040 2 322 150 33 LYS HD2 H 1.744 0.040 2 323 150 33 LYS HD3 H 1.744 0.040 2 324 150 33 LYS HE2 H 3.033 0.040 2 325 150 33 LYS HE3 H 3.033 0.040 2 326 150 33 LYS CA C 60.067 0.400 1 327 150 33 LYS CB C 32.762 0.400 1 328 150 33 LYS CG C 25.412 0.400 1 329 150 33 LYS CD C 29.086 0.400 1 330 150 33 LYS CE C 42.225 0.400 1 331 150 33 LYS N N 119.603 0.400 1 332 151 34 CYS H H 9.488 0.040 1 333 151 34 CYS HA H 4.066 0.040 1 334 151 34 CYS HB2 H 3.084 0.040 2 335 151 34 CYS HB3 H 3.157 0.040 2 336 151 34 CYS CA C 65.420 0.400 1 337 151 34 CYS CB C 30.383 0.400 1 338 151 34 CYS N N 126.412 0.400 1 339 152 35 PHE H H 9.542 0.040 1 340 152 35 PHE HA H 4.041 0.040 1 341 152 35 PHE HB2 H 2.901 0.040 2 342 152 35 PHE HB3 H 2.901 0.040 2 343 152 35 PHE HD1 H 6.688 0.040 3 344 152 35 PHE HD2 H 6.418 0.040 3 345 152 35 PHE HE1 H 6.931 0.040 3 346 152 35 PHE HE2 H 6.931 0.040 3 347 152 35 PHE HZ H 6.991 0.040 1 348 152 35 PHE CA C 61.474 0.400 1 349 152 35 PHE CB C 39.555 0.400 1 350 152 35 PHE CD1 C 130.622 0.400 3 351 152 35 PHE CD2 C 130.616 0.400 3 352 152 35 PHE CE1 C 129.797 0.400 1 353 152 35 PHE CE2 C 129.797 0.400 1 354 152 35 PHE CZ C 130.077 0.400 1 355 152 35 PHE N N 121.071 0.400 1 356 153 36 GLU H H 7.981 0.040 1 357 153 36 GLU HA H 3.715 0.040 1 358 153 36 GLU HB2 H 2.178 0.040 2 359 153 36 GLU HB3 H 2.075 0.040 2 360 153 36 GLU HG2 H 2.499 0.040 2 361 153 36 GLU HG3 H 2.499 0.040 2 362 153 36 GLU CA C 59.933 0.400 1 363 153 36 GLU CB C 29.487 0.400 1 364 153 36 GLU CG C 36.486 0.400 1 365 153 36 GLU N N 119.668 0.400 1 366 154 37 ALA H H 7.137 0.040 1 367 154 37 ALA HA H 3.874 0.040 1 368 154 37 ALA HB H 1.596 0.040 1 369 154 37 ALA CA C 55.226 0.400 1 370 154 37 ALA CB C 18.061 0.400 1 371 154 37 ALA N N 120.177 0.400 1 372 155 38 HIS H H 8.279 0.040 1 373 155 38 HIS HA H 4.043 0.040 1 374 155 38 HIS HB2 H 3.200 0.040 2 375 155 38 HIS HB3 H 2.859 0.040 2 376 155 38 HIS HD2 H 6.824 0.040 1 377 155 38 HIS HE1 H 7.971 0.040 1 378 155 38 HIS CA C 59.924 0.400 1 379 155 38 HIS CB C 28.555 0.400 1 380 155 38 HIS CD2 C 127.627 0.400 1 381 155 38 HIS CE1 C 140.351 0.400 1 382 155 38 HIS N N 119.388 0.400 1 383 156 39 GLN H H 8.104 0.040 1 384 156 39 GLN HA H 3.819 0.040 1 385 156 39 GLN HB2 H 1.704 0.040 2 386 156 39 GLN HB3 H 1.704 0.040 2 387 156 39 GLN HG2 H 1.731 0.040 2 388 156 39 GLN HG3 H 1.731 0.040 2 389 156 39 GLN HE21 H 7.213 0.040 2 390 156 39 GLN HE22 H 7.459 0.040 2 391 156 39 GLN CA C 56.820 0.400 1 392 156 39 GLN CB C 29.605 0.400 1 393 156 39 GLN CG C 34.002 0.400 1 394 156 39 GLN N N 114.980 0.400 1 395 156 39 GLN NE2 N 113.099 0.400 1 396 157 40 TRP H H 7.349 0.040 1 397 157 40 TRP HA H 4.054 0.040 1 398 157 40 TRP HB2 H 3.114 0.040 2 399 157 40 TRP HB3 H 2.810 0.040 2 400 157 40 TRP HD1 H 6.362 0.040 1 401 157 40 TRP HE1 H 10.340 0.040 1 402 157 40 TRP HE3 H 7.019 0.040 1 403 157 40 TRP HZ2 H 7.131 0.040 1 404 157 40 TRP HZ3 H 7.038 0.040 1 405 157 40 TRP HH2 H 7.076 0.040 1 406 157 40 TRP CA C 59.578 0.400 1 407 157 40 TRP CB C 28.962 0.400 1 408 157 40 TRP CD1 C 127.365 0.400 1 409 157 40 TRP CE3 C 121.023 0.400 1 410 157 40 TRP CZ2 C 113.840 0.400 1 411 157 40 TRP CZ3 C 121.969 0.400 1 412 157 40 TRP CH2 C 124.600 0.400 1 413 157 40 TRP N N 118.736 0.400 1 414 157 40 TRP NE1 N 130.108 0.040 1 415 158 41 PHE H H 7.455 0.040 1 416 158 41 PHE HA H 4.286 0.040 1 417 158 41 PHE HB2 H 3.066 0.040 2 418 158 41 PHE HB3 H 2.408 0.040 2 419 158 41 PHE HD1 H 6.838 0.040 3 420 158 41 PHE HD2 H 6.838 0.040 3 421 158 41 PHE HE1 H 7.330 0.040 3 422 158 41 PHE HE2 H 7.330 0.040 3 423 158 41 PHE CA C 60.789 0.400 1 424 158 41 PHE CB C 40.921 0.400 1 425 158 41 PHE CD1 C 130.644 0.400 1 426 158 41 PHE CD2 C 130.644 0.400 1 427 158 41 PHE CE1 C 131.225 0.400 1 428 158 41 PHE CE2 C 131.225 0.400 1 429 158 41 PHE N N 113.516 0.400 1 430 159 42 LEU H H 7.833 0.040 1 431 159 42 LEU HA H 4.181 0.040 1 432 159 42 LEU HB2 H 0.493 0.040 2 433 159 42 LEU HB3 H 0.536 0.040 2 434 159 42 LEU HG H 0.380 0.040 1 435 159 42 LEU HD1 H 0.543 0.040 2 436 159 42 LEU HD2 H 0.938 0.040 2 437 159 42 LEU CA C 53.838 0.400 1 438 159 42 LEU CB C 44.243 0.400 1 439 159 42 LEU CG C 26.325 0.400 1 440 159 42 LEU CD1 C 23.491 0.400 2 441 159 42 LEU CD2 C 26.137 0.400 2 442 159 42 LEU N N 118.805 0.400 1 443 160 43 LYS H H 7.997 0.040 1 444 160 43 LYS HA H 4.242 0.040 1 445 160 43 LYS HB2 H 1.714 0.040 2 446 160 43 LYS HB3 H 1.627 0.040 2 447 160 43 LYS HG2 H 1.237 0.040 2 448 160 43 LYS HG3 H 1.164 0.040 2 449 160 43 LYS HD2 H 1.487 0.040 2 450 160 43 LYS HD3 H 1.487 0.040 2 451 160 43 LYS HE2 H 2.879 0.040 2 452 160 43 LYS HE3 H 2.821 0.040 2 453 160 43 LYS CA C 55.141 0.400 1 454 160 43 LYS CB C 31.192 0.400 1 455 160 43 LYS CG C 24.513 0.400 1 456 160 43 LYS CD C 28.926 0.400 1 457 160 43 LYS CE C 42.443 0.400 1 458 160 43 LYS N N 120.854 0.400 1 459 161 44 HIS H H 8.289 0.040 1 460 161 44 HIS HA H 5.115 0.040 1 461 161 44 HIS HB2 H 3.555 0.040 2 462 161 44 HIS HB3 H 2.868 0.040 2 463 161 44 HIS HD2 H 6.905 0.040 1 464 161 44 HIS HE1 H 7.605 0.040 1 465 161 44 HIS CA C 52.378 0.400 1 466 161 44 HIS CB C 38.129 0.400 1 467 161 44 HIS CD2 C 117.395 0.400 1 468 161 44 HIS CE1 C 139.519 0.400 1 469 161 44 HIS N N 122.514 0.400 1 470 162 45 GLU H H 9.324 0.040 1 471 162 45 GLU HA H 4.571 0.040 1 472 162 45 GLU HB2 H 2.069 0.040 2 473 162 45 GLU HB3 H 2.220 0.040 2 474 162 45 GLU HG2 H 2.283 0.040 2 475 162 45 GLU HG3 H 2.380 0.040 2 476 162 45 GLU CA C 56.528 0.400 1 477 162 45 GLU CB C 30.271 0.400 1 478 162 45 GLU CG C 36.326 0.400 1 479 162 45 GLU N N 123.113 0.400 1 480 163 46 ALA H H 8.335 0.040 1 481 163 46 ALA HA H 5.172 0.040 1 482 163 46 ALA HB H 1.367 0.040 1 483 163 46 ALA CA C 51.676 0.400 1 484 163 46 ALA CB C 23.038 0.400 1 485 163 46 ALA N N 126.233 0.400 1 486 164 47 ARG H H 8.960 0.040 1 487 164 47 ARG HA H 5.307 0.040 1 488 164 47 ARG HB2 H 2.001 0.040 2 489 164 47 ARG HB3 H 2.094 0.040 2 490 164 47 ARG HG2 H 1.762 0.040 2 491 164 47 ARG HG3 H 1.762 0.040 2 492 164 47 ARG HD2 H 3.338 0.040 2 493 164 47 ARG HD3 H 3.338 0.040 2 494 164 47 ARG HE H 7.279 0.040 1 495 164 47 ARG CA C 53.204 0.400 1 496 164 47 ARG CB C 32.570 0.400 1 497 164 47 ARG CG C 26.697 0.400 1 498 164 47 ARG CD C 43.684 0.400 1 499 164 47 ARG N N 118.539 0.400 1 500 164 47 ARG NE N 84.587 0.040 1 501 165 48 PRO HA H 4.421 0.040 1 502 165 48 PRO HB2 H 2.124 0.040 2 503 165 48 PRO HB3 H 1.838 0.040 2 504 165 48 PRO HG2 H 2.084 0.040 2 505 165 48 PRO HG3 H 2.151 0.040 2 506 165 48 PRO HD2 H 3.830 0.040 2 507 165 48 PRO HD3 H 4.020 0.040 2 508 165 48 PRO CA C 62.259 0.400 1 509 165 48 PRO CB C 32.121 0.400 1 510 165 48 PRO CG C 27.673 0.400 1 511 165 48 PRO CD C 51.260 0.400 1 512 166 49 LEU H H 7.720 0.040 1 513 166 49 LEU HA H 4.018 0.040 1 514 166 49 LEU HB2 H 1.306 0.040 2 515 166 49 LEU HB3 H 1.379 0.040 2 516 166 49 LEU HG H 1.160 0.040 1 517 166 49 LEU HD1 H 0.583 0.040 2 518 166 49 LEU HD2 H 0.646 0.040 2 519 166 49 LEU CA C 55.981 0.400 1 520 166 49 LEU CB C 41.888 0.400 1 521 166 49 LEU CG C 27.290 0.400 1 522 166 49 LEU CD1 C 25.269 0.400 2 523 166 49 LEU CD2 C 23.075 0.400 2 524 166 49 LEU N N 121.733 0.400 1 525 167 50 ALA H H 7.988 0.040 1 526 167 50 ALA HA H 4.332 0.040 1 527 167 50 ALA HB H 1.284 0.040 1 528 167 50 ALA CA C 52.185 0.400 1 529 167 50 ALA CB C 19.634 0.400 1 530 167 50 ALA N N 122.477 0.400 1 531 168 51 GLU H H 7.807 0.040 1 532 168 51 GLU HA H 4.070 0.040 1 533 168 51 GLU HB2 H 1.849 0.040 2 534 168 51 GLU HB3 H 2.019 0.040 2 535 168 51 GLU HG2 H 2.174 0.040 2 536 168 51 GLU HG3 H 2.174 0.040 2 537 168 51 GLU CA C 58.155 0.400 1 538 168 51 GLU CB C 31.555 0.400 1 539 168 51 GLU CG C 36.977 0.400 1 540 168 51 GLU N N 125.582 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N TOCSY' '2D 1H-1H COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1_2 _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 1 218 1 GLY HA2 H 3.876 0.040 2 2 218 1 GLY HA3 H 3.876 0.040 2 3 218 1 GLY CA C 43.796 0.400 1 4 219 2 SER HA H 4.498 0.040 1 5 219 2 SER HB2 H 3.858 0.040 2 6 219 2 SER HB3 H 3.858 0.040 2 7 219 2 SER CA C 58.552 0.400 1 8 219 2 SER CB C 64.262 0.400 1 9 220 3 ARG H H 8.444 0.040 1 10 220 3 ARG HA H 4.250 0.040 1 11 220 3 ARG HB2 H 1.727 0.040 2 12 220 3 ARG HB3 H 1.608 0.040 2 13 220 3 ARG HG2 H 1.501 0.040 2 14 220 3 ARG HG3 H 1.501 0.040 2 15 220 3 ARG HD2 H 3.078 0.040 2 16 220 3 ARG HD3 H 3.078 0.040 2 17 220 3 ARG CA C 56.516 0.400 1 18 220 3 ARG CB C 30.959 0.400 1 19 220 3 ARG CG C 27.211 0.400 1 20 220 3 ARG CD C 43.516 0.400 1 21 220 3 ARG N N 122.938 0.400 1 22 221 4 GLN H H 8.400 0.040 1 23 221 4 GLN HA H 4.250 0.040 1 24 221 4 GLN HB2 H 1.956 0.040 2 25 221 4 GLN HB3 H 1.956 0.040 2 26 221 4 GLN HG2 H 2.211 0.040 2 27 221 4 GLN HG3 H 2.211 0.040 2 28 221 4 GLN HE21 H 6.800 0.040 2 29 221 4 GLN HE22 H 7.455 0.040 2 30 221 4 GLN CA C 56.222 0.400 1 31 221 4 GLN CB C 29.382 0.400 1 32 221 4 GLN CG C 33.959 0.400 1 33 221 4 GLN N N 122.309 0.400 1 34 221 4 GLN NE2 N 112.418 0.400 1 35 222 5 ILE H H 8.131 0.040 1 36 222 5 ILE HA H 4.067 0.040 1 37 222 5 ILE HB H 1.762 0.040 1 38 222 5 ILE HG12 H 1.376 0.040 2 39 222 5 ILE HG13 H 1.066 0.040 2 40 222 5 ILE HG2 H 0.789 0.040 1 41 222 5 ILE HD1 H 0.762 0.040 1 42 222 5 ILE CA C 61.266 0.400 1 43 222 5 ILE CB C 38.646 0.400 1 44 222 5 ILE CG1 C 27.398 0.400 1 45 222 5 ILE CG2 C 17.653 0.400 1 46 222 5 ILE CD1 C 12.861 0.400 1 47 222 5 ILE N N 122.804 0.400 1 48 223 6 VAL H H 8.087 0.040 1 49 223 6 VAL HA H 4.045 0.040 1 50 223 6 VAL HB H 2.000 0.040 1 51 223 6 VAL HG1 H 0.838 0.040 2 52 223 6 VAL HG2 H 0.825 0.040 2 53 223 6 VAL CA C 62.321 0.400 1 54 223 6 VAL CB C 32.993 0.400 1 55 223 6 VAL CG1 C 21.340 0.400 2 56 223 6 VAL CG2 C 20.561 0.400 2 57 223 6 VAL N N 123.773 0.400 1 58 224 7 ASP H H 8.202 0.040 1 59 224 7 ASP HA H 4.521 0.040 1 60 224 7 ASP HB2 H 2.665 0.040 2 61 224 7 ASP HB3 H 2.571 0.040 2 62 224 7 ASP CA C 54.446 0.400 1 63 224 7 ASP CB C 41.477 0.400 1 64 224 7 ASP N N 124.000 0.400 1 65 225 8 ALA H H 8.166 0.040 1 66 225 8 ALA HA H 4.211 0.040 1 67 225 8 ALA HB H 1.356 0.040 1 68 225 8 ALA CA C 53.047 0.400 1 69 225 8 ALA CB C 19.371 0.400 1 70 225 8 ALA N N 123.995 0.400 1 71 226 9 GLN H H 8.230 0.040 1 72 226 9 GLN HA H 4.251 0.040 1 73 226 9 GLN HB2 H 1.960 0.040 2 74 226 9 GLN HB3 H 1.960 0.040 2 75 226 9 GLN HG2 H 2.307 0.040 2 76 226 9 GLN HG3 H 2.307 0.040 2 77 226 9 GLN HE21 H 6.829 0.040 2 78 226 9 GLN HE22 H 7.566 0.040 2 79 226 9 GLN CA C 55.763 0.400 1 80 226 9 GLN CB C 29.465 0.400 1 81 226 9 GLN CG C 34.229 0.400 1 82 226 9 GLN N N 118.018 0.400 1 83 226 9 GLN NE2 N 112.567 0.400 1 84 227 10 ALA H H 8.186 0.040 1 85 227 10 ALA HA H 4.366 0.040 1 86 227 10 ALA HB H 1.307 0.040 1 87 227 10 ALA CA C 52.164 0.400 1 88 227 10 ALA CB C 19.211 0.400 1 89 227 10 ALA N N 125.931 0.400 1 90 228 11 VAL H H 8.088 0.040 1 91 228 11 VAL HA H 4.513 0.040 1 92 228 11 VAL HB H 1.815 0.040 1 93 228 11 VAL HG1 H 0.768 0.040 2 94 228 11 VAL HG2 H 0.759 0.040 2 95 228 11 VAL CA C 60.004 0.400 1 96 228 11 VAL CB C 35.031 0.400 1 97 228 11 VAL CG1 C 21.661 0.400 2 98 228 11 VAL CG2 C 18.972 0.400 2 99 228 11 VAL N N 119.197 0.400 1 100 229 12 CYS H H 9.322 0.040 1 101 229 12 CYS HA H 3.808 0.040 1 102 229 12 CYS HB2 H 3.231 0.040 2 103 229 12 CYS HB3 H 2.683 0.040 2 104 229 12 CYS CA C 59.537 0.400 1 105 229 12 CYS CB C 31.356 0.400 1 106 229 12 CYS N N 124.743 0.400 1 107 230 13 THR HA H 4.032 0.040 1 108 230 13 THR HB H 4.331 0.040 1 109 230 13 THR HG2 H 1.611 0.040 1 110 230 13 THR CA C 66.242 0.400 1 111 230 13 THR CB C 70.094 0.400 1 112 230 13 THR CG2 C 23.132 0.400 1 113 231 14 ARG H H 8.561 0.040 1 114 231 14 ARG HA H 4.227 0.040 1 115 231 14 ARG HB2 H 1.919 0.040 2 116 231 14 ARG HB3 H 1.919 0.040 2 117 231 14 ARG HG2 H 1.654 0.040 2 118 231 14 ARG HG3 H 1.654 0.040 2 119 231 14 ARG HD2 H 3.204 0.040 2 120 231 14 ARG HD3 H 3.204 0.040 2 121 231 14 ARG CA C 58.744 0.400 1 122 231 14 ARG CB C 30.557 0.400 1 123 231 14 ARG CG C 27.178 0.400 1 124 231 14 ARG CD C 43.513 0.400 1 125 231 14 ARG N N 121.745 0.400 1 126 232 15 CYS H H 8.109 0.040 1 127 232 15 CYS HA H 4.878 0.040 1 128 232 15 CYS HB2 H 3.210 0.040 2 129 232 15 CYS HB3 H 2.275 0.040 2 130 232 15 CYS CA C 59.151 0.400 1 131 232 15 CYS CB C 33.078 0.400 1 132 232 15 CYS N N 118.014 0.400 1 133 233 16 LYS H H 7.904 0.040 1 134 233 16 LYS HA H 4.120 0.040 1 135 233 16 LYS HB2 H 2.158 0.040 2 136 233 16 LYS HB3 H 1.989 0.040 2 137 233 16 LYS HG2 H 1.258 0.040 2 138 233 16 LYS HG3 H 1.381 0.040 2 139 233 16 LYS HD2 H 1.559 0.040 2 140 233 16 LYS HD3 H 1.707 0.040 2 141 233 16 LYS HE2 H 2.963 0.040 2 142 233 16 LYS HE3 H 2.963 0.040 2 143 233 16 LYS CA C 58.598 0.400 1 144 233 16 LYS CB C 29.610 0.400 1 145 233 16 LYS CG C 25.646 0.400 1 146 233 16 LYS CD C 28.819 0.400 1 147 233 16 LYS CE C 42.747 0.400 1 148 233 16 LYS N N 116.830 0.400 1 149 234 17 GLU H H 8.310 0.040 1 150 234 17 GLU HA H 4.487 0.040 1 151 234 17 GLU HB2 H 2.260 0.040 2 152 234 17 GLU HB3 H 2.051 0.040 2 153 234 17 GLU HG2 H 2.603 0.040 2 154 234 17 GLU HG3 H 2.453 0.040 2 155 234 17 GLU CA C 56.698 0.400 1 156 234 17 GLU CB C 30.348 0.400 1 157 234 17 GLU CG C 37.695 0.400 1 158 234 17 GLU N N 120.535 0.400 1 159 235 18 SER H H 8.742 0.040 1 160 235 18 SER HA H 4.174 0.040 1 161 235 18 SER HB2 H 3.893 0.040 2 162 235 18 SER HB3 H 3.844 0.040 2 163 235 18 SER CA C 60.751 0.400 1 164 235 18 SER CB C 63.244 0.400 1 165 235 18 SER N N 115.563 0.400 1 166 236 19 ALA H H 8.009 0.040 1 167 236 19 ALA HA H 3.859 0.040 1 168 236 19 ALA HB H 1.034 0.040 1 169 236 19 ALA CA C 52.204 0.400 1 170 236 19 ALA CB C 21.431 0.400 1 171 236 19 ALA N N 123.998 0.400 1 172 237 20 ASP H H 8.253 0.040 1 173 237 20 ASP HA H 4.852 0.040 1 174 237 20 ASP HB2 H 2.146 0.040 2 175 237 20 ASP HB3 H 2.254 0.040 2 176 237 20 ASP CA C 55.423 0.400 1 177 237 20 ASP CB C 47.153 0.400 1 178 237 20 ASP N N 117.156 0.400 1 179 238 21 PHE H H 8.610 0.040 1 180 238 21 PHE HA H 4.984 0.040 1 181 238 21 PHE HB2 H 2.279 0.040 2 182 238 21 PHE HB3 H 2.198 0.040 2 183 238 21 PHE HD1 H 6.499 0.040 3 184 238 21 PHE HD2 H 6.350 0.040 3 185 238 21 PHE HE1 H 7.001 0.040 3 186 238 21 PHE HE2 H 7.001 0.040 3 187 238 21 PHE HZ H 7.129 0.040 1 188 238 21 PHE CA C 57.474 0.400 1 189 238 21 PHE CB C 45.110 0.400 1 190 238 21 PHE CD1 C 130.844 0.400 3 191 238 21 PHE CD2 C 130.944 0.400 3 192 238 21 PHE CE1 C 130.980 0.400 1 193 238 21 PHE CE2 C 130.980 0.400 1 194 238 21 PHE CZ C 130.027 0.400 1 195 238 21 PHE N N 118.473 0.400 1 196 239 22 TRP H H 9.011 0.040 1 197 239 22 TRP HA H 5.339 0.040 1 198 239 22 TRP HB2 H 2.921 0.040 2 199 239 22 TRP HB3 H 2.784 0.040 2 200 239 22 TRP HD1 H 5.944 0.040 1 201 239 22 TRP HE1 H 9.537 0.040 1 202 239 22 TRP HE3 H 7.192 0.040 1 203 239 22 TRP HZ2 H 7.364 0.040 1 204 239 22 TRP HZ3 H 6.875 0.040 1 205 239 22 TRP HH2 H 7.023 0.040 1 206 239 22 TRP CA C 55.393 0.400 1 207 239 22 TRP CB C 33.204 0.400 1 208 239 22 TRP CD1 C 127.094 0.400 1 209 239 22 TRP CE3 C 120.979 0.400 1 210 239 22 TRP CZ2 C 114.021 0.400 1 211 239 22 TRP CZ3 C 121.121 0.400 1 212 239 22 TRP CH2 C 124.442 0.400 1 213 239 22 TRP N N 121.148 0.400 1 214 239 22 TRP NE1 N 128.582 0.040 1 215 240 23 CYS H H 7.967 0.040 1 216 240 23 CYS HA H 4.641 0.040 1 217 240 23 CYS HB2 H 2.652 0.040 2 218 240 23 CYS HB3 H 2.298 0.040 2 219 240 23 CYS CA C 58.317 0.400 1 220 240 23 CYS CB C 30.183 0.400 1 221 240 23 CYS N N 126.463 0.400 1 222 241 24 PHE H H 8.607 0.040 1 223 241 24 PHE HA H 4.030 0.040 1 224 241 24 PHE HB2 H 3.098 0.040 2 225 241 24 PHE HB3 H 3.216 0.040 2 226 241 24 PHE HD1 H 7.290 0.040 3 227 241 24 PHE HD2 H 7.290 0.040 3 228 241 24 PHE HE1 H 7.407 0.040 3 229 241 24 PHE HE2 H 7.407 0.040 3 230 241 24 PHE HZ H 7.398 0.040 1 231 241 24 PHE CA C 61.167 0.400 1 232 241 24 PHE CB C 39.627 0.400 1 233 241 24 PHE CD1 C 130.160 0.400 1 234 241 24 PHE CD2 C 130.160 0.400 1 235 241 24 PHE CE1 C 131.805 0.400 1 236 241 24 PHE CE2 C 131.805 0.400 1 237 241 24 PHE CZ C 130.232 0.400 1 238 241 24 PHE N N 127.283 0.400 1 239 242 25 GLU H H 8.435 0.040 1 240 242 25 GLU HA H 4.026 0.040 1 241 242 25 GLU HB2 H 1.257 0.040 2 242 242 25 GLU HB3 H 0.893 0.040 2 243 242 25 GLU HG2 H 2.031 0.040 2 244 242 25 GLU HG3 H 1.881 0.040 2 245 242 25 GLU CA C 59.668 0.400 1 246 242 25 GLU CB C 29.434 0.400 1 247 242 25 GLU CG C 37.780 0.400 1 248 242 25 GLU N N 121.245 0.400 1 249 243 26 CYS H H 9.099 0.040 1 250 243 26 CYS HA H 4.100 0.040 1 251 243 26 CYS HB2 H 2.990 0.040 2 252 243 26 CYS HB3 H 2.599 0.040 2 253 243 26 CYS CA C 62.538 0.400 1 254 243 26 CYS CB C 30.090 0.400 1 255 243 26 CYS N N 121.811 0.400 1 256 244 27 GLU H H 7.440 0.040 1 257 244 27 GLU HB2 H 2.216 0.040 2 258 244 27 GLU HB3 H 2.109 0.040 2 259 244 27 GLU HG2 H 2.106 0.040 2 260 244 27 GLU HG3 H 2.106 0.040 2 261 244 27 GLU CA C 57.164 0.400 1 262 244 27 GLU CB C 26.836 0.400 1 263 244 27 GLU CG C 37.393 0.400 1 264 244 27 GLU N N 115.924 0.400 1 265 245 28 GLN H H 6.085 0.040 1 266 245 28 GLN HA H 4.600 0.040 1 267 245 28 GLN HB2 H 1.378 0.040 2 268 245 28 GLN HB3 H 1.378 0.040 2 269 245 28 GLN HG2 H 2.396 0.040 2 270 245 28 GLN HG3 H 2.396 0.040 2 271 245 28 GLN HE21 H 7.269 0.040 2 272 245 28 GLN HE22 H 6.542 0.040 2 273 245 28 GLN CA C 54.491 0.400 1 274 245 28 GLN CB C 33.422 0.400 1 275 245 28 GLN CG C 34.266 0.400 1 276 245 28 GLN N N 113.001 0.400 1 277 245 28 GLN NE2 N 108.721 0.400 1 278 246 29 LEU H H 8.170 0.040 1 279 246 29 LEU HA H 5.237 0.040 1 280 246 29 LEU HB2 H 2.119 0.040 2 281 246 29 LEU HB3 H 1.118 0.040 2 282 246 29 LEU HG H 1.015 0.040 1 283 246 29 LEU HD1 H 1.007 0.040 2 284 246 29 LEU HD2 H 0.983 0.040 2 285 246 29 LEU CA C 53.900 0.400 1 286 246 29 LEU CB C 44.522 0.400 1 287 246 29 LEU CG C 26.784 0.400 1 288 246 29 LEU CD1 C 25.937 0.400 2 289 246 29 LEU CD2 C 25.940 0.400 2 290 246 29 LEU N N 123.312 0.400 1 291 247 30 LEU H H 9.056 0.040 1 292 247 30 LEU HB2 H 1.753 0.040 2 293 247 30 LEU HB3 H 1.533 0.040 2 294 247 30 LEU HG H 0.586 0.040 1 295 247 30 LEU HD1 H 1.598 0.040 2 296 247 30 LEU HD2 H 1.200 0.040 2 297 247 30 LEU CA C 53.817 0.400 1 298 247 30 LEU CB C 48.428 0.400 1 299 247 30 LEU CG C 26.984 0.400 1 300 247 30 LEU CD1 C 27.287 0.400 2 301 247 30 LEU CD2 C 24.622 0.400 2 302 247 30 LEU N N 121.220 0.400 1 303 248 31 CYS H H 9.563 0.040 1 304 248 31 CYS HA H 5.192 0.040 1 305 248 31 CYS HB2 H 2.917 0.040 2 306 248 31 CYS HB3 H 3.499 0.040 2 307 248 31 CYS CA C 58.887 0.400 1 308 248 31 CYS CB C 32.246 0.400 1 309 248 31 CYS N N 122.181 0.400 1 310 249 32 ALA H H 9.755 0.040 1 311 249 32 ALA HA H 4.367 0.040 1 312 249 32 ALA HB H 1.693 0.040 1 313 249 32 ALA CA C 56.620 0.400 1 314 249 32 ALA CB C 18.723 0.400 1 315 249 32 ALA N N 122.470 0.400 1 316 250 33 LYS H H 8.164 0.040 1 317 250 33 LYS HA H 4.246 0.040 1 318 250 33 LYS HB2 H 1.996 0.040 2 319 250 33 LYS HB3 H 2.060 0.040 2 320 250 33 LYS HG2 H 1.503 0.040 2 321 250 33 LYS HG3 H 1.635 0.040 2 322 250 33 LYS HD2 H 1.744 0.040 2 323 250 33 LYS HD3 H 1.744 0.040 2 324 250 33 LYS HE2 H 3.033 0.040 2 325 250 33 LYS HE3 H 3.033 0.040 2 326 250 33 LYS CA C 60.067 0.400 1 327 250 33 LYS CB C 32.762 0.400 1 328 250 33 LYS CG C 25.412 0.400 1 329 250 33 LYS CD C 29.086 0.400 1 330 250 33 LYS CE C 42.225 0.400 1 331 250 33 LYS N N 119.603 0.400 1 332 251 34 CYS H H 9.488 0.040 1 333 251 34 CYS HA H 4.066 0.040 1 334 251 34 CYS HB2 H 3.084 0.040 2 335 251 34 CYS HB3 H 3.157 0.040 2 336 251 34 CYS CA C 65.420 0.400 1 337 251 34 CYS CB C 30.383 0.400 1 338 251 34 CYS N N 126.412 0.400 1 339 252 35 PHE H H 9.542 0.040 1 340 252 35 PHE HA H 4.041 0.040 1 341 252 35 PHE HB2 H 2.901 0.040 2 342 252 35 PHE HB3 H 2.901 0.040 2 343 252 35 PHE HD1 H 6.688 0.040 3 344 252 35 PHE HD2 H 6.418 0.040 3 345 252 35 PHE HE1 H 6.931 0.040 3 346 252 35 PHE HE2 H 6.931 0.040 3 347 252 35 PHE HZ H 6.991 0.040 1 348 252 35 PHE CA C 61.474 0.400 1 349 252 35 PHE CB C 39.555 0.400 1 350 252 35 PHE CD1 C 130.622 0.400 3 351 252 35 PHE CD2 C 130.616 0.400 3 352 252 35 PHE CE1 C 129.797 0.400 1 353 252 35 PHE CE2 C 129.797 0.400 1 354 252 35 PHE CZ C 130.077 0.400 1 355 252 35 PHE N N 121.071 0.400 1 356 253 36 GLU H H 7.981 0.040 1 357 253 36 GLU HA H 3.715 0.040 1 358 253 36 GLU HB2 H 2.178 0.040 2 359 253 36 GLU HB3 H 2.075 0.040 2 360 253 36 GLU HG2 H 2.499 0.040 2 361 253 36 GLU HG3 H 2.499 0.040 2 362 253 36 GLU CA C 59.933 0.400 1 363 253 36 GLU CB C 29.487 0.400 1 364 253 36 GLU CG C 36.486 0.400 1 365 253 36 GLU N N 119.668 0.400 1 366 254 37 ALA H H 7.137 0.040 1 367 254 37 ALA HA H 3.874 0.040 1 368 254 37 ALA HB H 1.596 0.040 1 369 254 37 ALA CA C 55.226 0.400 1 370 254 37 ALA CB C 18.061 0.400 1 371 254 37 ALA N N 120.177 0.400 1 372 255 38 HIS H H 8.279 0.040 1 373 255 38 HIS HA H 4.043 0.040 1 374 255 38 HIS HB2 H 3.200 0.040 2 375 255 38 HIS HB3 H 2.859 0.040 2 376 255 38 HIS HD2 H 6.824 0.040 1 377 255 38 HIS HE1 H 7.971 0.040 1 378 255 38 HIS CA C 59.924 0.400 1 379 255 38 HIS CB C 28.555 0.400 1 380 255 38 HIS CD2 C 127.627 0.400 1 381 255 38 HIS CE1 C 140.351 0.400 1 382 255 38 HIS N N 119.388 0.400 1 383 256 39 GLN H H 8.104 0.040 1 384 256 39 GLN HA H 3.819 0.040 1 385 256 39 GLN HB2 H 1.704 0.040 2 386 256 39 GLN HB3 H 1.704 0.040 2 387 256 39 GLN HG2 H 1.731 0.040 2 388 256 39 GLN HG3 H 1.731 0.040 2 389 256 39 GLN HE21 H 7.213 0.040 2 390 256 39 GLN HE22 H 7.459 0.040 2 391 256 39 GLN CA C 56.820 0.400 1 392 256 39 GLN CB C 29.605 0.400 1 393 256 39 GLN CG C 34.002 0.400 1 394 256 39 GLN N N 114.980 0.400 1 395 256 39 GLN NE2 N 113.099 0.400 1 396 257 40 TRP H H 7.349 0.040 1 397 257 40 TRP HA H 4.054 0.040 1 398 257 40 TRP HB2 H 3.114 0.040 2 399 257 40 TRP HB3 H 2.810 0.040 2 400 257 40 TRP HD1 H 6.362 0.040 1 401 257 40 TRP HE1 H 10.340 0.040 1 402 257 40 TRP HE3 H 7.019 0.040 1 403 257 40 TRP HZ2 H 7.131 0.040 1 404 257 40 TRP HZ3 H 7.038 0.040 1 405 257 40 TRP HH2 H 7.076 0.040 1 406 257 40 TRP CA C 59.578 0.400 1 407 257 40 TRP CB C 28.962 0.400 1 408 257 40 TRP CD1 C 127.365 0.400 1 409 257 40 TRP CE3 C 121.023 0.400 1 410 257 40 TRP CZ2 C 113.840 0.400 1 411 257 40 TRP CZ3 C 121.969 0.400 1 412 257 40 TRP CH2 C 124.600 0.400 1 413 257 40 TRP N N 118.736 0.400 1 414 257 40 TRP NE1 N 130.108 0.040 1 415 258 41 PHE H H 7.455 0.040 1 416 258 41 PHE HA H 4.286 0.040 1 417 258 41 PHE HB2 H 3.066 0.040 2 418 258 41 PHE HB3 H 2.408 0.040 2 419 258 41 PHE HD1 H 6.838 0.040 3 420 258 41 PHE HD2 H 6.838 0.040 3 421 258 41 PHE HE1 H 7.330 0.040 3 422 258 41 PHE HE2 H 7.330 0.040 3 423 258 41 PHE CA C 60.789 0.400 1 424 258 41 PHE CB C 40.921 0.400 1 425 258 41 PHE CD1 C 130.644 0.400 1 426 258 41 PHE CD2 C 130.644 0.400 1 427 258 41 PHE CE1 C 131.225 0.400 1 428 258 41 PHE CE2 C 131.225 0.400 1 429 258 41 PHE N N 113.516 0.400 1 430 259 42 LEU H H 7.833 0.040 1 431 259 42 LEU HA H 4.181 0.040 1 432 259 42 LEU HB2 H 0.493 0.040 2 433 259 42 LEU HB3 H 0.536 0.040 2 434 259 42 LEU HG H 0.380 0.040 1 435 259 42 LEU HD1 H 0.543 0.040 2 436 259 42 LEU HD2 H 0.938 0.040 2 437 259 42 LEU CA C 53.838 0.400 1 438 259 42 LEU CB C 44.243 0.400 1 439 259 42 LEU CG C 26.325 0.400 1 440 259 42 LEU CD1 C 23.491 0.400 2 441 259 42 LEU CD2 C 26.137 0.400 2 442 259 42 LEU N N 118.805 0.400 1 443 260 43 LYS H H 7.997 0.040 1 444 260 43 LYS HA H 4.242 0.040 1 445 260 43 LYS HB2 H 1.714 0.040 2 446 260 43 LYS HB3 H 1.627 0.040 2 447 260 43 LYS HG2 H 1.237 0.040 2 448 260 43 LYS HG3 H 1.164 0.040 2 449 260 43 LYS HD2 H 1.487 0.040 2 450 260 43 LYS HD3 H 1.487 0.040 2 451 260 43 LYS HE2 H 2.879 0.040 2 452 260 43 LYS HE3 H 2.821 0.040 2 453 260 43 LYS CA C 55.141 0.400 1 454 260 43 LYS CB C 31.192 0.400 1 455 260 43 LYS CG C 24.513 0.400 1 456 260 43 LYS CD C 28.926 0.400 1 457 260 43 LYS CE C 42.443 0.400 1 458 260 43 LYS N N 120.854 0.400 1 459 261 44 HIS H H 8.289 0.040 1 460 261 44 HIS HA H 5.115 0.040 1 461 261 44 HIS HB2 H 3.555 0.040 2 462 261 44 HIS HB3 H 2.868 0.040 2 463 261 44 HIS HD2 H 6.905 0.040 1 464 261 44 HIS HE1 H 7.605 0.040 1 465 261 44 HIS CA C 52.378 0.400 1 466 261 44 HIS CB C 38.129 0.400 1 467 261 44 HIS CD2 C 117.395 0.400 1 468 261 44 HIS CE1 C 139.519 0.400 1 469 261 44 HIS N N 122.514 0.400 1 470 262 45 GLU H H 9.324 0.040 1 471 262 45 GLU HA H 4.571 0.040 1 472 262 45 GLU HB2 H 2.069 0.040 2 473 262 45 GLU HB3 H 2.220 0.040 2 474 262 45 GLU HG2 H 2.283 0.040 2 475 262 45 GLU HG3 H 2.380 0.040 2 476 262 45 GLU CA C 56.528 0.400 1 477 262 45 GLU CB C 30.271 0.400 1 478 262 45 GLU CG C 36.326 0.400 1 479 262 45 GLU N N 123.113 0.400 1 480 263 46 ALA H H 8.335 0.040 1 481 263 46 ALA HA H 5.172 0.040 1 482 263 46 ALA HB H 1.367 0.040 1 483 263 46 ALA CA C 51.676 0.400 1 484 263 46 ALA CB C 23.038 0.400 1 485 263 46 ALA N N 126.233 0.400 1 486 264 47 ARG H H 8.960 0.040 1 487 264 47 ARG HA H 5.307 0.040 1 488 264 47 ARG HB2 H 2.001 0.040 2 489 264 47 ARG HB3 H 2.094 0.040 2 490 264 47 ARG HG2 H 1.762 0.040 2 491 264 47 ARG HG3 H 1.762 0.040 2 492 264 47 ARG HD2 H 3.338 0.040 2 493 264 47 ARG HD3 H 3.338 0.040 2 494 264 47 ARG HE H 7.279 0.040 1 495 264 47 ARG CA C 53.204 0.400 1 496 264 47 ARG CB C 32.570 0.400 1 497 264 47 ARG CG C 26.697 0.400 1 498 264 47 ARG CD C 43.684 0.400 1 499 264 47 ARG N N 118.539 0.400 1 500 264 47 ARG NE N 84.587 0.040 1 501 265 48 PRO HA H 4.421 0.040 1 502 265 48 PRO HB2 H 2.124 0.040 2 503 265 48 PRO HB3 H 1.838 0.040 2 504 265 48 PRO HG2 H 2.084 0.040 2 505 265 48 PRO HG3 H 2.151 0.040 2 506 265 48 PRO HD2 H 3.830 0.040 2 507 265 48 PRO HD3 H 4.020 0.040 2 508 265 48 PRO CA C 62.259 0.400 1 509 265 48 PRO CB C 32.121 0.400 1 510 265 48 PRO CG C 27.673 0.400 1 511 265 48 PRO CD C 51.260 0.400 1 512 266 49 LEU H H 7.720 0.040 1 513 266 49 LEU HA H 4.018 0.040 1 514 266 49 LEU HB2 H 1.306 0.040 2 515 266 49 LEU HB3 H 1.379 0.040 2 516 266 49 LEU HG H 1.160 0.040 1 517 266 49 LEU HD1 H 0.583 0.040 2 518 266 49 LEU HD2 H 0.646 0.040 2 519 266 49 LEU CA C 55.981 0.400 1 520 266 49 LEU CB C 41.888 0.400 1 521 266 49 LEU CG C 27.290 0.400 1 522 266 49 LEU CD1 C 25.269 0.400 1 523 266 49 LEU CD2 C 25.269 0.400 1 524 266 49 LEU N N 121.733 0.400 1 525 267 50 ALA H H 7.988 0.040 1 526 267 50 ALA HA H 4.332 0.040 1 527 267 50 ALA HB H 1.284 0.040 1 528 267 50 ALA CA C 52.185 0.400 1 529 267 50 ALA CB C 19.634 0.400 1 530 267 50 ALA N N 122.477 0.400 1 531 268 51 GLU H H 7.807 0.040 1 532 268 51 GLU HA H 4.070 0.040 1 533 268 51 GLU HB2 H 1.849 0.040 2 534 268 51 GLU HB3 H 2.019 0.040 2 535 268 51 GLU HG2 H 2.174 0.040 2 536 268 51 GLU HG3 H 2.174 0.040 2 537 268 51 GLU CA C 58.155 0.400 1 538 268 51 GLU CB C 31.555 0.400 1 539 268 51 GLU CG C 36.977 0.400 1 540 268 51 GLU N N 125.582 0.400 1 stop_ save_