data_17270 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complex between BD1 of Brd3 and GATA-1 C-tail ; _BMRB_accession_number 17270 _BMRB_flat_file_name bmr17270.str _Entry_type new _Submission_date 2010-10-31 _Accession_date 2010-10-31 _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 Gamsjaeger Roland . . 2 Webb Sarah R. . 3 Lamonica Janine M. . 4 Blobel Gerd A. . 5 Mackay Joel P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 755 "13C chemical shifts" 589 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 update author 'update entry citation' 2011-05-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis and Specificity of Acetylated Transcription Factor GATA1 Recognition by BET Family Bromodomain Protein Brd3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21555453 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gamsjaeger Roland . . 2 Webb Sarah R. . 3 Lamonica Janine M. . 4 Billin Andrew . . 5 Blobel Gerd A. . 6 Mackay Joel P. . stop_ _Journal_abbreviation 'Mol. Cell. Biol.' _Journal_name_full 'Molecular and cellular biology' _Journal_volume 31 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2632 _Page_last 2640 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Brd3 in complex with GATA-1 C-tail' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Brd3 $Brd3 'GATA-1 C-tail' $GATA-1_C-tail 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_Brd3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Brd3 _Molecular_mass 14967.378 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GPLGSEVSNPSKPGRKTNQL QYMQNVVVKTLWKHQFAWPF YQPVDAIKLNLPDYHKIIKN PMDMGTIKKRLENNYYWSAS ECMQDFNTMFTNCYIYNKPT DDIVLMAQALEKIFLQKVAQ MPQEEVEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 GLY 2 21 PRO 3 22 LEU 4 23 GLY 5 24 SER 6 25 GLU 7 26 VAL 8 27 SER 9 28 ASN 10 29 PRO 11 30 SER 12 31 LYS 13 32 PRO 14 33 GLY 15 34 ARG 16 35 LYS 17 36 THR 18 37 ASN 19 38 GLN 20 39 LEU 21 40 GLN 22 41 TYR 23 42 MET 24 43 GLN 25 44 ASN 26 45 VAL 27 46 VAL 28 47 VAL 29 48 LYS 30 49 THR 31 50 LEU 32 51 TRP 33 52 LYS 34 53 HIS 35 54 GLN 36 55 PHE 37 56 ALA 38 57 TRP 39 58 PRO 40 59 PHE 41 60 TYR 42 61 GLN 43 62 PRO 44 63 VAL 45 64 ASP 46 65 ALA 47 66 ILE 48 67 LYS 49 68 LEU 50 69 ASN 51 70 LEU 52 71 PRO 53 72 ASP 54 73 TYR 55 74 HIS 56 75 LYS 57 76 ILE 58 77 ILE 59 78 LYS 60 79 ASN 61 80 PRO 62 81 MET 63 82 ASP 64 83 MET 65 84 GLY 66 85 THR 67 86 ILE 68 87 LYS 69 88 LYS 70 89 ARG 71 90 LEU 72 91 GLU 73 92 ASN 74 93 ASN 75 94 TYR 76 95 TYR 77 96 TRP 78 97 SER 79 98 ALA 80 99 SER 81 100 GLU 82 101 CYS 83 102 MET 84 103 GLN 85 104 ASP 86 105 PHE 87 106 ASN 88 107 THR 89 108 MET 90 109 PHE 91 110 THR 92 111 ASN 93 112 CYS 94 113 TYR 95 114 ILE 96 115 TYR 97 116 ASN 98 117 LYS 99 118 PRO 100 119 THR 101 120 ASP 102 121 ASP 103 122 ILE 104 123 VAL 105 124 LEU 106 125 MET 107 126 ALA 108 127 GLN 109 128 ALA 110 129 LEU 111 130 GLU 112 131 LYS 113 132 ILE 114 133 PHE 115 134 LEU 116 135 GLN 117 136 LYS 118 137 VAL 119 138 ALA 120 139 GLN 121 140 MET 122 141 PRO 123 142 GLN 124 143 GLU 125 144 GLU 126 145 VAL 127 146 GLU 128 147 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2L5E "Complex Between Bd1 Of Brd3 And Gata-1 C-Tail" 100.00 128 100.00 100.00 5.20e-90 PDB 2NXB "Crystal Structure Of Human Bromodomain Containing Protein 3 (Brd3)" 93.75 123 100.00 100.00 1.62e-83 PDB 2YW5 "Solution Structure Of The Bromodomain From Human Bromodomain Containing Protein 3" 101.56 138 96.92 96.92 5.59e-86 PDB 3S91 "Crystal Structure Of The First Bromodomain Of Human Brd3 In Complex With The Inhibitor Jq1" 93.75 123 100.00 100.00 1.62e-83 GB ETE60652 "hypothetical protein L345_13604, partial [Ophiophagus hannah]" 96.09 166 97.56 100.00 3.15e-84 REF XP_008069962 "PREDICTED: bromodomain-containing protein 3-like, partial [Tarsius syrichta]" 96.09 327 97.56 97.56 3.22e-83 stop_ save_ save_GATA-1_C-tail _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GATA-1_C-tail _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 13 _Mol_residue_sequence KASGXGKXLRGSN loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 308 LYS 2 309 ALA 3 310 SER 4 311 GLY 5 312 ALY 6 313 GLY 7 314 LYS 8 315 ALY 9 316 LEU 10 317 ARG 11 318 GLY 12 319 SER 13 320 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ALY _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common N(6)-ACETYLLYSINE _BMRB_code . _PDB_code ALY _Standard_residue_derivative . _Molecular_mass 188.224 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:54:56 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OH OH O . 0 . ? CH CH C . 0 . ? CH3 CH3 C . 0 . ? NZ NZ N . 0 . ? CE CE C . 0 . ? CD CD C . 0 . ? CG CG C . 0 . ? CB CB C . 0 . ? CA CA C . 0 . ? N N N . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? HH31 HH31 H . 0 . ? HH32 HH32 H . 0 . ? HH33 HH33 H . 0 . ? HZ HZ H . 0 . ? HE3 HE3 H . 0 . ? HE2 HE2 H . 0 . ? HD3 HD3 H . 0 . ? HD2 HD2 H . 0 . ? HG3 HG3 H . 0 . ? HG2 HG2 H . 0 . ? HB3 HB3 H . 0 . ? HB2 HB2 H . 0 . ? HCA HCA H . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB OH CH ? ? SING CH CH3 ? ? SING CH NZ ? ? SING CH3 HH31 ? ? SING CH3 HH32 ? ? SING CH3 HH33 ? ? SING NZ CE ? ? SING NZ HZ ? ? SING CE CD ? ? SING CE HE3 ? ? SING CE HE2 ? ? SING CD CG ? ? SING CD HD3 ? ? SING CD HD2 ? ? SING CG CB ? ? SING CG HG3 ? ? SING CG HG2 ? ? SING CB CA ? ? SING CB HB3 ? ? SING CB HB2 ? ? SING CA N ? ? SING CA C ? ? SING CA HCA ? ? SING N H ? ? SING N H2 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Brd3 . . . . . . 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 $Brd3 'recombinant technology' . . . . pGex6P $GATA-1_C-tail 'chemical synthesis' . . . . . 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 $Brd3 . mM 0.5 1.5 '[U-13C; U-15N]' $GATA-1_C-tail . mM 0.5 1.5 'natural abundance' NaCl 100 mM . . 'natural abundance' Tris 20 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' 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 $Brd3 . mM 0.5 1.5 '[U-13C; U-15N]' $GATA-1_C-tail . mM 0.5 1.5 'natural abundance' NaCl 100 mM . . 'natural abundance' Tris 20 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCC(CO)NH_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC(CO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_CC(CO)NH_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_13C_sep_(F2)_15N13C_filtered_(F1)_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C sep (F2) 15N13C filtered (F1) NOESY' _Sample_label $sample_1 save_ save_3D_13C_sep_(F1)_15N13C_filtered_(F3)_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C sep (F1) 15N13C filtered (F3) NOESY' _Sample_label $sample_1 save_ save_2D_15N13C_filtered_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N13C filtered NOESY' _Sample_label $sample_1 save_ save_2D_15N13C_filtered_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N13C filtered TOCSY' _Sample_label $sample_1 save_ save_3D_13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY' _Sample_label $sample_2 save_ save_3D_15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7 . pH pressure 1 . atm 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D (H)CCH-TOCSY' '3D HNHA' '3D HCC(CO)NH TOCSY' '3D CC(CO)NH TOCSY' '3D 13C NOESY' '3D 15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Brd3 _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 21 2 PRO HA H 4.456 0.003 1 2 21 2 PRO HB2 H 2.292 0.004 2 3 21 2 PRO HB3 H 1.958 0.024 2 4 21 2 PRO HD2 H 3.539 0.001 2 5 21 2 PRO HD3 H 3.575 0.001 2 6 21 2 PRO HG2 H 1.998 0.009 2 7 21 2 PRO C C 177.017 0.000 1 8 21 2 PRO CA C 63.189 0.117 1 9 21 2 PRO CB C 32.215 0.080 1 10 21 2 PRO CD C 49.744 0.175 1 11 21 2 PRO CG C 27.067 0.045 1 12 22 3 LEU H H 8.554 0.003 1 13 22 3 LEU HA H 4.355 0.004 1 14 22 3 LEU HB2 H 1.593 0.010 2 15 22 3 LEU HB3 H 1.673 0.001 2 16 22 3 LEU HD1 H 0.916 0.013 4 17 22 3 LEU HG H 1.662 0.001 1 18 22 3 LEU C C 177.937 0.011 1 19 22 3 LEU CA C 55.354 0.016 1 20 22 3 LEU CB C 42.231 0.041 1 21 22 3 LEU CD1 C 24.914 0.062 2 22 22 3 LEU CD2 C 23.484 0.069 2 23 22 3 LEU CG C 27.021 0.076 1 24 22 3 LEU N N 122.623 0.027 1 25 23 4 GLY H H 8.452 0.002 1 26 23 4 GLY HA2 H 4.004 0.005 2 27 23 4 GLY C C 174.209 0.008 1 28 23 4 GLY CA C 45.209 0.031 1 29 23 4 GLY N N 110.222 0.031 1 30 24 5 SER H H 8.172 0.003 1 31 24 5 SER HA H 4.467 0.015 1 32 24 5 SER HB2 H 3.823 0.019 2 33 24 5 SER C C 174.423 0.055 1 34 24 5 SER CA C 58.254 0.044 1 35 24 5 SER CB C 63.828 0.109 1 36 24 5 SER N N 115.758 0.023 1 37 25 6 GLU H H 8.664 0.003 1 38 25 6 GLU HA H 4.315 0.018 1 39 25 6 GLU HB2 H 2.098 0.008 2 40 25 6 GLU HB3 H 2.028 0.009 2 41 25 6 GLU HG2 H 2.282 0.011 2 42 25 6 GLU C C 176.508 0.007 1 43 25 6 GLU CA C 56.721 0.024 1 44 25 6 GLU CB C 29.876 0.076 1 45 25 6 GLU CG C 36.060 0.060 1 46 25 6 GLU N N 122.872 0.015 1 47 26 7 VAL H H 8.249 0.011 1 48 26 7 VAL HA H 4.053 0.004 1 49 26 7 VAL HB H 2.086 0.015 1 50 26 7 VAL HG1 H 0.887 0.014 4 51 26 7 VAL C C 175.102 0.012 1 52 26 7 VAL CA C 61.521 0.041 1 53 26 7 VAL CB C 32.452 0.095 1 54 26 7 VAL CG1 C 21.475 0.050 2 55 26 7 VAL CG2 C 19.454 0.000 2 56 26 7 VAL N N 117.778 0.024 1 57 27 8 SER H H 8.002 0.006 1 58 27 8 SER HA H 4.560 0.007 1 59 27 8 SER HB2 H 3.772 0.020 2 60 27 8 SER C C 173.613 0.012 1 61 27 8 SER CA C 57.774 0.030 1 62 27 8 SER CB C 64.192 0.048 1 63 27 8 SER N N 117.269 0.045 1 64 28 9 ASN H H 8.786 0.010 1 65 28 9 ASN HA H 4.989 0.005 1 66 28 9 ASN HB2 H 2.746 0.008 2 67 28 9 ASN HB3 H 2.854 0.009 2 68 28 9 ASN HD21 H 7.777 0.006 2 69 28 9 ASN HD22 H 6.935 0.007 2 70 28 9 ASN C C 173.311 0.000 1 71 28 9 ASN CA C 51.252 0.030 1 72 28 9 ASN CB C 39.150 0.045 1 73 28 9 ASN N N 121.554 0.020 1 74 28 9 ASN ND2 N 113.263 0.217 1 75 29 10 PRO HA H 4.432 0.005 1 76 29 10 PRO HB2 H 2.237 0.009 2 77 29 10 PRO HB3 H 1.985 0.014 2 78 29 10 PRO HD2 H 3.761 0.012 2 79 29 10 PRO HG2 H 1.975 0.024 2 80 29 10 PRO C C 177.174 0.007 1 81 29 10 PRO CA C 63.651 0.090 1 82 29 10 PRO CB C 32.060 0.076 1 83 29 10 PRO CD C 50.804 0.066 1 84 29 10 PRO CG C 26.944 0.060 1 85 30 11 SER H H 8.296 0.003 1 86 30 11 SER HA H 4.394 0.005 1 87 30 11 SER HB2 H 3.844 0.019 2 88 30 11 SER C C 173.670 0.005 1 89 30 11 SER CA C 58.568 0.030 1 90 30 11 SER CB C 63.691 0.074 1 91 30 11 SER N N 114.910 0.027 1 92 31 12 LYS H H 7.890 0.002 1 93 31 12 LYS HA H 4.591 0.014 1 94 31 12 LYS HB2 H 1.558 0.010 2 95 31 12 LYS HB3 H 1.706 0.010 2 96 31 12 LYS HD2 H 1.065 0.008 2 97 31 12 LYS HD3 H 1.305 0.002 2 98 31 12 LYS HE2 H 2.627 0.003 2 99 31 12 LYS HE3 H 2.682 0.006 2 100 31 12 LYS HG2 H 1.163 0.007 2 101 31 12 LYS HG3 H 1.184 0.005 2 102 31 12 LYS C C 173.648 0.000 1 103 31 12 LYS CA C 53.626 0.026 1 104 31 12 LYS CB C 33.537 0.084 1 105 31 12 LYS CD C 28.875 0.061 1 106 31 12 LYS CE C 41.913 0.067 1 107 31 12 LYS CG C 23.889 0.029 1 108 31 12 LYS N N 124.518 0.023 1 109 32 13 PRO HA H 4.464 0.006 1 110 32 13 PRO HB2 H 2.275 0.014 2 111 32 13 PRO HB3 H 1.937 0.002 2 112 32 13 PRO HD2 H 3.519 0.019 2 113 32 13 PRO HD3 H 3.588 0.010 2 114 32 13 PRO HG2 H 1.990 0.004 2 115 32 13 PRO C C 176.165 0.001 1 116 32 13 PRO CA C 63.330 0.100 1 117 32 13 PRO CB C 32.325 0.061 1 118 32 13 PRO CD C 49.722 0.066 1 119 32 13 PRO CG C 27.167 0.052 1 120 33 14 GLY H H 8.007 0.003 1 121 33 14 GLY HA2 H 4.151 0.018 2 122 33 14 GLY HA3 H 3.911 0.007 2 123 33 14 GLY C C 173.337 0.010 1 124 33 14 GLY CA C 44.016 0.088 1 125 33 14 GLY N N 109.126 0.053 1 126 34 15 ARG H H 8.438 0.014 1 127 34 15 ARG HA H 4.619 0.004 1 128 34 15 ARG HB2 H 1.569 0.008 2 129 34 15 ARG HB3 H 1.428 0.006 2 130 34 15 ARG HE H 6.353 0.007 1 131 34 15 ARG HG2 H 1.132 0.017 2 132 34 15 ARG HH11 H 6.816 0.000 4 133 34 15 ARG C C 172.885 0.013 1 134 34 15 ARG CA C 54.977 0.060 1 135 34 15 ARG CB C 33.627 0.058 1 136 34 15 ARG CD C 43.635 0.067 1 137 34 15 ARG CG C 25.757 0.092 1 138 34 15 ARG N N 117.110 0.099 1 139 34 15 ARG NE N 86.030 0.000 1 140 35 16 LYS H H 8.355 0.006 1 141 35 16 LYS HA H 4.676 0.015 1 142 35 16 LYS HB2 H 1.749 0.011 2 143 35 16 LYS HD2 H 1.682 0.000 2 144 35 16 LYS HE2 H 2.990 0.011 2 145 35 16 LYS HG2 H 1.476 0.022 2 146 35 16 LYS C C 176.909 0.000 1 147 35 16 LYS CA C 55.718 0.045 1 148 35 16 LYS CB C 33.797 0.103 1 149 35 16 LYS CD C 29.262 0.064 1 150 35 16 LYS CE C 41.784 0.000 1 151 35 16 LYS CG C 24.859 0.084 1 152 35 16 LYS N N 117.680 0.069 1 153 36 17 THR H H 7.062 0.008 1 154 36 17 THR HA H 5.408 0.009 1 155 36 17 THR HB H 4.531 0.015 1 156 36 17 THR HG2 H 0.854 0.028 2 157 36 17 THR C C 174.200 0.018 1 158 36 17 THR CA C 57.939 0.027 1 159 36 17 THR CB C 73.356 0.054 1 160 36 17 THR CG2 C 20.408 0.053 1 161 36 17 THR N N 110.791 0.049 1 162 37 18 ASN H H 9.511 0.006 1 163 37 18 ASN HA H 4.405 0.004 1 164 37 18 ASN HB2 H 3.021 0.019 2 165 37 18 ASN HB3 H 3.105 0.017 2 166 37 18 ASN HD22 H 6.808 0.000 2 167 37 18 ASN C C 178.450 0.008 1 168 37 18 ASN CA C 56.593 0.051 1 169 37 18 ASN CB C 35.571 0.055 1 170 37 18 ASN N N 122.187 0.051 1 171 38 19 GLN H H 8.002 0.004 1 172 38 19 GLN HA H 3.912 0.015 1 173 38 19 GLN HB2 H 2.163 0.011 2 174 38 19 GLN HE21 H 7.463 0.012 2 175 38 19 GLN HE22 H 6.399 0.004 2 176 38 19 GLN C C 178.464 0.012 1 177 38 19 GLN CA C 59.337 0.029 1 178 38 19 GLN CB C 29.918 0.085 1 179 38 19 GLN CG C 33.960 0.000 1 180 38 19 GLN N N 123.480 0.054 1 181 38 19 GLN NE2 N 107.438 0.038 1 182 39 20 LEU H H 8.396 0.003 1 183 39 20 LEU HA H 3.983 0.025 1 184 39 20 LEU HB2 H 1.934 0.011 2 185 39 20 LEU HB3 H 1.725 0.008 2 186 39 20 LEU HD1 H 0.853 0.013 2 187 39 20 LEU HD2 H 0.907 0.017 2 188 39 20 LEU C C 179.209 0.033 1 189 39 20 LEU CA C 58.964 0.059 1 190 39 20 LEU CB C 41.748 0.034 1 191 39 20 LEU CG C 24.946 0.128 1 192 39 20 LEU N N 123.220 0.039 1 193 40 21 GLN H H 8.743 0.007 1 194 40 21 GLN HA H 4.190 0.014 1 195 40 21 GLN HB2 H 2.224 0.015 2 196 40 21 GLN HE21 H 7.690 0.002 2 197 40 21 GLN HE22 H 6.965 0.003 2 198 40 21 GLN HG2 H 2.390 0.023 2 199 40 21 GLN C C 177.603 0.010 1 200 40 21 GLN CA C 59.350 0.042 1 201 40 21 GLN CB C 29.182 0.062 1 202 40 21 GLN CG C 34.556 0.126 1 203 40 21 GLN N N 120.935 0.064 1 204 40 21 GLN NE2 N 112.105 0.080 1 205 41 22 TYR H H 7.847 0.005 1 206 41 22 TYR HA H 4.325 0.012 1 207 41 22 TYR HB2 H 3.445 0.019 2 208 41 22 TYR HB3 H 3.140 0.005 2 209 41 22 TYR HD1 H 7.101 0.019 3 210 41 22 TYR HE1 H 6.610 0.016 3 211 41 22 TYR C C 179.146 0.030 1 212 41 22 TYR CA C 61.751 0.034 1 213 41 22 TYR CB C 38.344 0.074 1 214 41 22 TYR CD1 C 133.512 0.074 3 215 41 22 TYR CD2 C 133.528 0.000 3 216 41 22 TYR CE1 C 118.268 0.006 3 217 41 22 TYR CE2 C 118.264 0.000 3 218 41 22 TYR N N 121.805 0.046 1 219 42 23 MET H H 8.896 0.005 1 220 42 23 MET HA H 4.357 0.018 1 221 42 23 MET HB2 H 2.838 0.030 2 222 42 23 MET HB3 H 2.253 0.021 2 223 42 23 MET HE H 2.184 0.014 2 224 42 23 MET HG2 H 3.163 0.010 2 225 42 23 MET HG3 H 2.779 0.002 2 226 42 23 MET C C 177.111 0.037 1 227 42 23 MET CA C 57.467 0.070 1 228 42 23 MET CB C 30.891 0.114 1 229 42 23 MET CE C 18.059 0.039 1 230 42 23 MET CG C 33.239 0.107 1 231 42 23 MET N N 120.476 0.060 1 232 43 24 GLN H H 8.332 0.005 1 233 43 24 GLN HA H 4.040 0.003 1 234 43 24 GLN HB2 H 2.238 0.008 2 235 43 24 GLN HE21 H 7.677 0.014 2 236 43 24 GLN HE22 H 6.809 0.002 2 237 43 24 GLN HG2 H 2.373 0.033 2 238 43 24 GLN C C 177.017 0.020 1 239 43 24 GLN CA C 59.722 0.089 1 240 43 24 GLN CB C 29.764 0.091 1 241 43 24 GLN CG C 32.978 0.156 1 242 43 24 GLN N N 118.575 0.047 1 243 43 24 GLN NE2 N 109.641 0.132 1 244 44 25 ASN H H 8.970 0.006 1 245 44 25 ASN HA H 4.553 0.015 1 246 44 25 ASN HB2 H 2.846 0.012 2 247 44 25 ASN HD21 H 7.547 0.003 2 248 44 25 ASN HD22 H 6.913 0.002 2 249 44 25 ASN C C 175.385 0.008 1 250 44 25 ASN CA C 54.831 0.031 1 251 44 25 ASN CB C 38.440 0.033 1 252 44 25 ASN N N 115.141 0.035 1 253 44 25 ASN ND2 N 111.090 0.182 1 254 45 26 VAL H H 8.236 0.007 1 255 45 26 VAL HA H 4.084 0.019 1 256 45 26 VAL HB H 1.056 0.032 1 257 45 26 VAL HG1 H 0.574 0.013 2 258 45 26 VAL HG2 H 0.663 0.010 2 259 45 26 VAL C C 177.908 0.008 1 260 45 26 VAL CA C 64.466 0.052 1 261 45 26 VAL CB C 32.260 0.167 1 262 45 26 VAL CG1 C 20.985 0.100 2 263 45 26 VAL CG2 C 20.957 0.061 2 264 45 26 VAL N N 117.302 0.132 1 265 46 27 VAL H H 7.552 0.007 1 266 46 27 VAL HA H 3.344 0.012 1 267 46 27 VAL HB H 2.841 0.005 1 268 46 27 VAL HG1 H 0.979 0.010 2 269 46 27 VAL HG2 H 0.911 0.015 2 270 46 27 VAL C C 176.922 0.015 1 271 46 27 VAL CA C 69.123 0.087 1 272 46 27 VAL CB C 30.703 0.117 1 273 46 27 VAL CG1 C 23.656 0.047 2 274 46 27 VAL CG2 C 22.333 0.178 2 275 46 27 VAL N N 120.773 0.072 1 276 47 28 VAL H H 9.444 0.008 1 277 47 28 VAL HA H 3.816 0.017 1 278 47 28 VAL HB H 2.540 0.020 1 279 47 28 VAL HG1 H 1.296 0.018 2 280 47 28 VAL HG2 H 1.142 0.012 2 281 47 28 VAL C C 177.324 0.023 1 282 47 28 VAL CA C 67.784 0.074 1 283 47 28 VAL CB C 30.953 0.088 1 284 47 28 VAL CG1 C 24.823 0.044 2 285 47 28 VAL CG2 C 22.008 0.059 2 286 47 28 VAL N N 118.850 0.043 1 287 48 29 LYS H H 6.279 0.008 1 288 48 29 LYS HA H 4.046 0.000 1 289 48 29 LYS HB2 H 1.759 0.007 2 290 48 29 LYS HB3 H 1.589 0.019 2 291 48 29 LYS HD2 H 1.749 0.003 2 292 48 29 LYS HG2 H 1.407 0.011 2 293 48 29 LYS C C 178.414 0.014 1 294 48 29 LYS CA C 59.826 0.148 1 295 48 29 LYS CB C 32.841 0.133 1 296 48 29 LYS CD C 28.975 0.030 1 297 48 29 LYS CG C 25.084 0.000 1 298 48 29 LYS N N 115.491 0.038 1 299 49 30 THR H H 7.423 0.003 1 300 49 30 THR HA H 4.019 0.006 1 301 49 30 THR HB H 4.281 0.018 1 302 49 30 THR HG2 H 1.243 0.002 2 303 49 30 THR C C 176.686 0.000 1 304 49 30 THR CA C 66.908 0.034 1 305 49 30 THR CB C 68.800 0.061 1 306 49 30 THR CG2 C 21.321 0.000 1 307 49 30 THR N N 112.338 0.037 1 308 50 31 LEU H H 8.379 0.004 1 309 50 31 LEU HA H 4.106 0.015 1 310 50 31 LEU HB2 H 2.232 0.006 2 311 50 31 LEU HB3 H 1.480 0.003 2 312 50 31 LEU HD1 H 0.954 0.017 4 313 50 31 LEU HG H 0.990 0.008 1 314 50 31 LEU C C 178.475 0.005 1 315 50 31 LEU CA C 58.558 0.120 1 316 50 31 LEU CB C 42.405 0.097 1 317 50 31 LEU CD1 C 24.428 0.105 2 318 50 31 LEU CD2 C 24.291 0.145 2 319 50 31 LEU CG C 27.233 0.124 1 320 50 31 LEU N N 121.382 0.071 1 321 51 32 TRP H H 9.204 0.006 1 322 51 32 TRP HA H 3.899 0.011 1 323 51 32 TRP HB2 H 3.706 0.005 2 324 51 32 TRP HB3 H 3.227 0.014 2 325 51 32 TRP HD1 H 7.035 0.005 1 326 51 32 TRP HE1 H 9.779 0.004 1 327 51 32 TRP HE3 H 7.436 0.019 1 328 51 32 TRP HH2 H 7.141 0.002 1 329 51 32 TRP HZ2 H 6.965 0.003 1 330 51 32 TRP HZ3 H 6.783 0.016 1 331 51 32 TRP C C 177.083 0.018 1 332 51 32 TRP CA C 60.806 0.054 1 333 51 32 TRP CB C 28.563 0.053 1 334 51 32 TRP CD1 C 127.281 0.051 1 335 51 32 TRP CE3 C 118.754 0.110 1 336 51 32 TRP CH2 C 123.695 0.133 1 337 51 32 TRP CZ2 C 115.081 0.069 1 338 51 32 TRP CZ3 C 120.971 0.063 1 339 51 32 TRP N N 117.011 0.060 1 340 51 32 TRP NE1 N 131.070 0.082 1 341 52 33 LYS H H 7.082 0.003 1 342 52 33 LYS HA H 4.485 0.004 1 343 52 33 LYS HB2 H 2.042 0.024 2 344 52 33 LYS HD2 H 3.085 0.001 2 345 52 33 LYS HE2 H 3.085 0.002 2 346 52 33 LYS HG2 H 1.706 0.009 2 347 52 33 LYS HG3 H 1.799 0.014 2 348 52 33 LYS C C 176.506 0.009 1 349 52 33 LYS CA C 55.922 0.079 1 350 52 33 LYS CB C 33.031 0.084 1 351 52 33 LYS CD C 29.355 0.074 1 352 52 33 LYS CE C 41.988 0.080 1 353 52 33 LYS CG C 24.659 0.073 1 354 52 33 LYS N N 110.853 0.039 1 355 53 34 HIS H H 7.855 0.003 1 356 53 34 HIS HA H 4.117 0.008 1 357 53 34 HIS HB2 H 3.137 0.012 2 358 53 34 HIS HD2 H 7.047 0.005 1 359 53 34 HIS HE1 H 6.926 0.005 1 360 53 34 HIS C C 177.241 0.009 1 361 53 34 HIS CA C 59.180 0.039 1 362 53 34 HIS CB C 32.213 0.080 1 363 53 34 HIS CD2 C 117.945 0.122 1 364 53 34 HIS CE1 C 137.061 0.034 1 365 53 34 HIS N N 123.689 0.028 1 366 53 34 HIS ND1 N 255.789 0.000 1 367 53 34 HIS NE2 N 164.402 0.020 1 368 54 35 GLN H H 8.538 0.005 1 369 54 35 GLN HA H 4.246 0.002 1 370 54 35 GLN HB2 H 2.323 0.016 2 371 54 35 GLN HE21 H 6.868 0.004 2 372 54 35 GLN HE22 H 6.496 0.002 2 373 54 35 GLN HG2 H 2.574 0.004 2 374 54 35 GLN C C 177.013 0.000 1 375 54 35 GLN CA C 58.933 0.094 1 376 54 35 GLN CB C 28.132 0.122 1 377 54 35 GLN CG C 33.923 0.067 1 378 54 35 GLN N N 128.287 0.048 1 379 54 35 GLN NE2 N 109.250 0.078 1 380 55 36 PHE HA H 5.253 0.009 1 381 55 36 PHE HB2 H 3.713 0.017 2 382 55 36 PHE HB3 H 3.323 0.015 2 383 55 36 PHE HD1 H 7.405 0.013 3 384 55 36 PHE HD2 H 7.355 0.029 3 385 55 36 PHE HE1 H 7.546 0.018 3 386 55 36 PHE C C 174.614 0.000 1 387 55 36 PHE CA C 52.732 0.056 1 388 55 36 PHE CB C 37.507 0.040 1 389 55 36 PHE CD1 C 130.297 0.000 3 390 55 36 PHE CD2 C 130.374 0.062 3 391 55 36 PHE CE1 C 132.123 0.114 3 392 55 36 PHE CE2 C 132.068 0.000 3 393 56 37 ALA H H 7.850 0.005 1 394 56 37 ALA HA H 4.195 0.008 1 395 56 37 ALA HB H 1.615 0.007 1 396 56 37 ALA C C 177.835 0.008 1 397 56 37 ALA CA C 54.224 0.017 1 398 56 37 ALA CB C 21.097 0.059 1 399 56 37 ALA N N 117.328 0.046 1 400 57 38 TRP H H 7.044 0.003 1 401 57 38 TRP HB2 H 2.880 0.013 2 402 57 38 TRP HB3 H 3.211 0.005 2 403 57 38 TRP HD1 H 7.673 0.017 1 404 57 38 TRP HE1 H 10.639 0.003 1 405 57 38 TRP HE3 H 7.221 0.006 1 406 57 38 TRP HH2 H 7.126 0.014 1 407 57 38 TRP HZ2 H 7.563 0.005 1 408 57 38 TRP HZ3 H 6.956 0.005 1 409 57 38 TRP C C 175.700 0.000 1 410 57 38 TRP CA C 58.592 0.048 1 411 57 38 TRP CB C 27.226 0.047 1 412 57 38 TRP CD1 C 127.734 0.058 1 413 57 38 TRP CE3 C 121.115 0.184 1 414 57 38 TRP CH2 C 124.718 0.139 1 415 57 38 TRP CZ2 C 114.450 0.041 1 416 57 38 TRP CZ3 C 121.573 0.343 1 417 57 38 TRP N N 116.090 0.034 1 418 57 38 TRP NE1 N 130.953 0.040 1 419 58 39 PRO HA H 3.760 0.012 1 420 58 39 PRO HB2 H 1.607 0.022 2 421 58 39 PRO HG2 H 1.360 0.005 2 422 58 39 PRO C C 176.596 0.000 1 423 58 39 PRO CA C 64.400 0.175 1 424 58 39 PRO CB C 30.930 0.139 1 425 58 39 PRO CG C 26.527 0.000 1 426 59 40 PHE H H 8.148 0.006 1 427 59 40 PHE HA H 4.686 0.001 1 428 59 40 PHE HB2 H 3.657 0.022 2 429 59 40 PHE HB3 H 2.757 0.019 2 430 59 40 PHE HD1 H 7.245 0.000 3 431 59 40 PHE HD2 H 7.235 0.017 3 432 59 40 PHE HE1 H 7.061 0.017 3 433 59 40 PHE C C 175.905 0.003 1 434 59 40 PHE CA C 56.868 0.074 1 435 59 40 PHE CB C 38.470 0.037 1 436 59 40 PHE CD2 C 132.444 0.000 3 437 59 40 PHE CE1 C 129.690 0.019 3 438 59 40 PHE CE2 C 129.703 0.000 3 439 59 40 PHE N N 112.296 0.037 1 440 60 41 TYR H H 7.196 0.005 1 441 60 41 TYR HA H 4.201 0.014 1 442 60 41 TYR HB2 H 3.258 0.006 2 443 60 41 TYR HB3 H 3.181 0.026 2 444 60 41 TYR HD1 H 6.238 0.012 3 445 60 41 TYR HE1 H 6.167 0.012 3 446 60 41 TYR C C 174.314 0.023 1 447 60 41 TYR CA C 56.454 0.152 1 448 60 41 TYR CB C 37.451 0.039 1 449 60 41 TYR CD1 C 129.874 0.000 3 450 60 41 TYR CE1 C 117.084 0.073 3 451 60 41 TYR CE2 C 117.074 0.000 3 452 60 41 TYR N N 118.194 0.042 1 453 61 42 GLN H H 7.427 0.003 1 454 61 42 GLN HA H 5.028 0.017 1 455 61 42 GLN HB2 H 1.947 0.013 2 456 61 42 GLN HB3 H 2.188 0.002 2 457 61 42 GLN HE21 H 7.482 0.000 2 458 61 42 GLN HE22 H 6.838 0.012 2 459 61 42 GLN HG2 H 2.279 0.024 2 460 61 42 GLN C C 171.952 0.000 1 461 61 42 GLN CA C 52.850 0.034 1 462 61 42 GLN CB C 29.618 0.056 1 463 61 42 GLN CG C 33.044 0.038 1 464 61 42 GLN N N 112.778 0.030 1 465 61 42 GLN NE2 N 111.495 0.045 1 466 62 43 PRO HA H 4.159 0.006 1 467 62 43 PRO HB2 H 1.573 0.022 2 468 62 43 PRO HB3 H 2.295 0.019 2 469 62 43 PRO HD2 H 3.550 0.044 2 470 62 43 PRO HD3 H 3.914 0.000 2 471 62 43 PRO HG2 H 1.930 0.001 2 472 62 43 PRO C C 177.136 0.022 1 473 62 43 PRO CA C 62.666 0.281 1 474 62 43 PRO CB C 32.123 0.114 1 475 62 43 PRO CG C 27.070 0.038 1 476 63 44 VAL H H 8.603 0.004 1 477 63 44 VAL HA H 3.252 0.006 1 478 63 44 VAL HB H 1.270 0.015 1 479 63 44 VAL HG1 H 0.732 0.013 2 480 63 44 VAL HG2 H -0.357 0.019 2 481 63 44 VAL C C 175.709 0.003 1 482 63 44 VAL CA C 64.623 0.039 1 483 63 44 VAL CB C 32.168 0.080 1 484 63 44 VAL CG1 C 22.336 0.059 2 485 63 44 VAL CG2 C 19.792 0.067 2 486 63 44 VAL N N 125.344 0.045 1 487 64 45 ASP H H 8.082 0.021 1 488 64 45 ASP HA H 4.678 0.014 1 489 64 45 ASP HB2 H 2.974 0.007 2 490 64 45 ASP HB3 H 2.434 0.017 2 491 64 45 ASP CA C 51.776 0.027 1 492 64 45 ASP CB C 40.228 0.064 1 493 64 45 ASP N N 129.611 0.051 1 494 65 46 ALA H H 8.671 0.032 1 495 65 46 ALA HA H 3.605 0.014 1 496 65 46 ALA HB H 1.545 0.012 1 497 65 46 ALA C C 179.067 0.000 1 498 65 46 ALA CA C 54.434 0.044 1 499 65 46 ALA CB C 19.316 0.064 1 500 65 46 ALA N N 125.517 0.063 1 501 66 47 ILE H H 7.988 0.004 1 502 66 47 ILE HA H 3.971 0.005 1 503 66 47 ILE HB H 2.108 0.019 1 504 66 47 ILE HD1 H 0.877 0.000 2 505 66 47 ILE HG12 H 1.304 0.008 2 506 66 47 ILE HG13 H 1.608 0.005 2 507 66 47 ILE HG2 H 0.887 0.004 2 508 66 47 ILE C C 179.199 0.024 1 509 66 47 ILE CA C 63.151 0.038 1 510 66 47 ILE CB C 36.689 0.069 1 511 66 47 ILE CD1 C 11.440 0.000 1 512 66 47 ILE CG1 C 28.061 0.051 1 513 66 47 ILE CG2 C 16.923 0.040 1 514 66 47 ILE N N 118.670 0.044 1 515 67 48 LYS H H 7.926 0.005 1 516 67 48 LYS HA H 3.940 0.006 1 517 67 48 LYS HB2 H 1.742 0.020 2 518 67 48 LYS HB3 H 1.634 0.002 2 519 67 48 LYS HD2 H 1.386 0.016 2 520 67 48 LYS HE2 H 2.987 0.003 2 521 67 48 LYS HG2 H 1.474 0.003 2 522 67 48 LYS C C 178.652 0.038 1 523 67 48 LYS CA C 58.976 0.086 1 524 67 48 LYS CB C 32.622 0.102 1 525 67 48 LYS CD C 29.216 0.103 1 526 67 48 LYS CE C 41.812 0.088 1 527 67 48 LYS CG C 25.108 0.053 1 528 67 48 LYS N N 123.482 0.056 1 529 68 49 LEU H H 7.844 0.009 1 530 68 49 LEU HA H 4.256 0.004 1 531 68 49 LEU HB2 H 1.502 0.014 2 532 68 49 LEU HD1 H 0.847 0.012 2 533 68 49 LEU HD2 H 0.768 0.006 2 534 68 49 LEU HG H 0.776 0.035 1 535 68 49 LEU C C 175.835 0.036 1 536 68 49 LEU CA C 54.573 0.057 1 537 68 49 LEU CB C 42.072 0.088 1 538 68 49 LEU CD1 C 22.431 0.107 2 539 68 49 LEU CD2 C 27.220 0.199 2 540 68 49 LEU CG C 25.885 0.101 1 541 68 49 LEU N N 113.762 0.056 1 542 69 50 ASN H H 7.467 0.010 1 543 69 50 ASN HA H 4.249 0.002 1 544 69 50 ASN HB2 H 3.285 0.008 2 545 69 50 ASN HB3 H 2.634 0.010 2 546 69 50 ASN HD21 H 7.583 0.002 2 547 69 50 ASN HD22 H 6.744 0.001 2 548 69 50 ASN C C 172.831 0.014 1 549 69 50 ASN CA C 53.813 0.043 1 550 69 50 ASN CB C 36.516 0.053 1 551 69 50 ASN N N 116.741 0.050 1 552 69 50 ASN ND2 N 111.262 0.180 1 553 70 51 LEU H H 8.440 0.003 1 554 70 51 LEU HA H 5.134 0.014 1 555 70 51 LEU HB2 H 1.750 0.016 2 556 70 51 LEU HB3 H 1.637 0.024 2 557 70 51 LEU HD1 H 0.492 0.019 2 558 70 51 LEU HD2 H 0.933 0.021 2 559 70 51 LEU HG H 1.361 0.010 1 560 70 51 LEU C C 172.853 0.000 1 561 70 51 LEU CA C 50.882 0.040 1 562 70 51 LEU CB C 41.984 0.157 1 563 70 51 LEU CD1 C 26.890 0.068 2 564 70 51 LEU CD2 C 22.451 0.055 2 565 70 51 LEU CG C 25.258 0.174 1 566 70 51 LEU N N 117.752 0.141 1 567 71 52 PRO HA H 4.468 0.012 1 568 71 52 PRO HB2 H 2.041 0.004 2 569 71 52 PRO HB3 H 2.354 0.005 2 570 71 52 PRO HD2 H 3.906 0.004 2 571 71 52 PRO HG2 H 2.069 0.005 2 572 71 52 PRO C C 177.322 0.000 1 573 71 52 PRO CA C 65.033 0.096 1 574 71 52 PRO CB C 31.673 0.130 1 575 71 52 PRO CD C 50.722 0.044 1 576 71 52 PRO CG C 27.404 0.084 1 577 72 53 ASP H H 8.694 0.006 1 578 72 53 ASP HA H 4.635 0.019 1 579 72 53 ASP HB2 H 2.790 0.017 2 580 72 53 ASP HB3 H 3.057 0.011 2 581 72 53 ASP C C 177.538 0.000 1 582 72 53 ASP CA C 53.142 0.121 1 583 72 53 ASP CB C 40.545 0.089 1 584 72 53 ASP N N 116.030 0.032 1 585 73 54 TYR H H 7.755 0.008 1 586 73 54 TYR HA H 3.544 0.024 1 587 73 54 TYR HB2 H 2.697 0.028 2 588 73 54 TYR HB3 H 2.370 0.015 2 589 73 54 TYR HD1 H 6.677 0.000 3 590 73 54 TYR HE1 H 6.046 0.020 3 591 73 54 TYR C C 176.358 0.007 1 592 73 54 TYR CA C 63.999 0.072 1 593 73 54 TYR CB C 39.199 0.078 1 594 73 54 TYR CD1 C 132.905 0.000 3 595 73 54 TYR CE1 C 116.672 0.063 3 596 73 54 TYR CE2 C 116.602 0.000 3 597 73 54 TYR N N 123.934 0.037 1 598 74 55 HIS H H 8.468 0.037 1 599 74 55 HIS HA H 4.513 0.014 1 600 74 55 HIS HB2 H 3.348 0.018 2 601 74 55 HIS HB3 H 2.920 0.019 2 602 74 55 HIS HD2 H 7.159 0.017 1 603 74 55 HIS HE1 H 7.989 0.014 1 604 74 55 HIS C C 175.348 0.015 1 605 74 55 HIS CA C 57.608 0.087 1 606 74 55 HIS CB C 28.668 0.190 1 607 74 55 HIS CD2 C 118.168 0.000 1 608 74 55 HIS CE1 C 138.064 0.084 1 609 74 55 HIS N N 112.237 0.204 1 610 75 56 LYS H H 7.240 0.006 1 611 75 56 LYS HA H 4.167 0.005 1 612 75 56 LYS HB2 H 1.906 0.017 2 613 75 56 LYS HD2 H 1.688 0.004 2 614 75 56 LYS HE2 H 2.999 0.012 2 615 75 56 LYS HG2 H 1.470 0.017 2 616 75 56 LYS HG3 H 1.357 0.019 2 617 75 56 LYS C C 177.172 0.029 1 618 75 56 LYS CA C 57.403 0.041 1 619 75 56 LYS CB C 32.428 0.046 1 620 75 56 LYS CD C 29.183 0.033 1 621 75 56 LYS CE C 41.945 0.000 1 622 75 56 LYS CG C 25.021 0.075 1 623 75 56 LYS N N 118.228 0.060 1 624 76 57 ILE H H 7.168 0.005 1 625 76 57 ILE HA H 3.850 0.012 1 626 76 57 ILE HB H 1.681 0.009 1 627 76 57 ILE HD1 H 0.917 0.016 2 628 76 57 ILE HG12 H 1.266 0.021 2 629 76 57 ILE HG2 H 0.949 0.024 2 630 76 57 ILE C C 175.551 0.012 1 631 76 57 ILE CA C 62.270 0.051 1 632 76 57 ILE CB C 39.732 0.120 1 633 76 57 ILE CD1 C 12.603 0.000 1 634 76 57 ILE CG1 C 28.433 0.120 1 635 76 57 ILE CG2 C 17.280 0.085 1 636 76 57 ILE N N 119.040 0.065 1 637 77 58 ILE H H 8.395 0.014 1 638 77 58 ILE HA H 3.903 0.008 1 639 77 58 ILE HB H 1.303 0.004 1 640 77 58 ILE HD1 H 0.683 0.008 2 641 77 58 ILE HG12 H 0.474 0.022 2 642 77 58 ILE HG13 H 0.885 0.011 2 643 77 58 ILE HG2 H 0.442 0.022 2 644 77 58 ILE C C 173.955 0.001 1 645 77 58 ILE CA C 56.822 0.038 1 646 77 58 ILE CB C 33.758 0.059 1 647 77 58 ILE CD1 C 9.460 0.026 1 648 77 58 ILE CG1 C 25.248 0.167 1 649 77 58 ILE CG2 C 16.238 0.068 1 650 77 58 ILE N N 121.663 0.086 1 651 78 59 LYS H H 7.840 0.007 1 652 78 59 LYS HA H 4.206 0.009 1 653 78 59 LYS HB2 H 1.854 0.011 2 654 78 59 LYS HB3 H 1.679 0.006 2 655 78 59 LYS HD2 H 1.617 0.003 2 656 78 59 LYS HE2 H 3.004 0.021 2 657 78 59 LYS HG2 H 1.392 0.005 2 658 78 59 LYS HG3 H 1.454 0.011 2 659 78 59 LYS C C 176.699 0.009 1 660 78 59 LYS CA C 56.665 0.064 1 661 78 59 LYS CB C 32.846 0.152 1 662 78 59 LYS CD C 28.243 0.054 1 663 78 59 LYS CE C 42.057 0.000 1 664 78 59 LYS CG C 24.816 0.144 1 665 78 59 LYS N N 124.731 0.071 1 666 79 60 ASN H H 8.392 0.005 1 667 79 60 ASN HA H 5.236 0.016 1 668 79 60 ASN HB2 H 2.760 0.008 2 669 79 60 ASN HB3 H 2.675 0.007 2 670 79 60 ASN HD21 H 7.608 0.007 2 671 79 60 ASN HD22 H 6.872 0.002 2 672 79 60 ASN C C 170.747 0.000 1 673 79 60 ASN CA C 50.209 0.031 1 674 79 60 ASN CB C 39.438 0.050 1 675 79 60 ASN N N 116.816 0.067 1 676 79 60 ASN ND2 N 113.667 0.192 1 677 80 61 PRO HA H 3.973 0.006 1 678 80 61 PRO HB2 H 2.350 0.019 2 679 80 61 PRO HB3 H 1.976 0.019 2 680 80 61 PRO HD2 H 3.639 0.020 2 681 80 61 PRO C C 174.819 0.000 1 682 80 61 PRO CA C 63.120 0.057 1 683 80 61 PRO CB C 32.086 0.101 1 684 80 61 PRO CG C 27.779 0.000 1 685 81 62 MET H H 8.130 0.006 1 686 81 62 MET HA H 5.000 0.005 1 687 81 62 MET HB2 H 1.192 0.018 2 688 81 62 MET HB3 H 2.101 0.012 2 689 81 62 MET HE H 1.993 0.001 2 690 81 62 MET HG2 H 1.922 0.012 2 691 81 62 MET HG3 H 1.843 0.004 2 692 81 62 MET C C 172.544 0.005 1 693 81 62 MET CA C 53.952 0.043 1 694 81 62 MET CB C 31.779 0.073 1 695 81 62 MET CE C 13.876 0.030 1 696 81 62 MET CG C 30.893 0.038 1 697 81 62 MET N N 119.058 0.058 1 698 82 63 ASP H H 7.434 0.005 1 699 82 63 ASP HA H 4.749 0.015 1 700 82 63 ASP HB2 H 2.512 0.016 2 701 82 63 ASP HB3 H 2.175 0.009 2 702 82 63 ASP C C 172.831 0.056 1 703 82 63 ASP CA C 53.029 0.047 1 704 82 63 ASP CB C 44.215 0.117 1 705 82 63 ASP N N 119.668 0.077 1 706 83 64 MET H H 8.949 0.005 1 707 83 64 MET HA H 3.913 0.009 1 708 83 64 MET HB2 H 2.322 0.020 2 709 83 64 MET HB3 H 2.018 0.011 2 710 83 64 MET HE H 2.058 0.007 2 711 83 64 MET HG2 H 2.826 0.017 2 712 83 64 MET C C 177.295 0.001 1 713 83 64 MET CA C 59.353 0.034 1 714 83 64 MET CB C 35.181 0.098 1 715 83 64 MET CE C 15.413 0.025 1 716 83 64 MET CG C 32.213 0.068 1 717 83 64 MET N N 121.335 0.069 1 718 84 65 GLY H H 8.694 0.008 1 719 84 65 GLY HA2 H 4.411 0.022 2 720 84 65 GLY HA3 H 4.107 0.009 2 721 84 65 GLY C C 177.612 0.000 1 722 84 65 GLY CA C 47.908 0.038 1 723 84 65 GLY N N 113.791 0.053 1 724 85 66 THR H H 8.566 0.012 1 725 85 66 THR HA H 3.724 0.016 1 726 85 66 THR HB H 4.116 0.004 1 727 85 66 THR HG2 H 0.893 0.003 2 728 85 66 THR C C 175.996 0.000 1 729 85 66 THR CA C 67.103 0.125 1 730 85 66 THR CB C 67.368 0.021 1 731 85 66 THR CG2 C 21.299 0.000 1 732 85 66 THR N N 124.424 0.040 1 733 86 67 ILE H H 7.208 0.013 1 734 86 67 ILE HA H 3.680 0.003 1 735 86 67 ILE HB H 1.414 0.008 1 736 86 67 ILE HD1 H -0.476 0.012 2 737 86 67 ILE HG12 H 1.074 0.000 2 738 86 67 ILE HG13 H 1.307 0.000 2 739 86 67 ILE HG2 H 0.782 0.023 2 740 86 67 ILE C C 177.036 0.018 1 741 86 67 ILE CA C 65.862 0.103 1 742 86 67 ILE CB C 38.932 0.079 1 743 86 67 ILE CD1 C 11.919 0.000 1 744 86 67 ILE CG1 C 28.872 0.068 1 745 86 67 ILE CG2 C 17.495 0.044 1 746 86 67 ILE N N 122.163 0.067 1 747 87 68 LYS H H 8.574 0.006 1 748 87 68 LYS HA H 3.885 0.006 1 749 87 68 LYS HB2 H 2.063 0.016 2 750 87 68 LYS HB3 H 1.789 0.005 2 751 87 68 LYS HG2 H 1.189 0.007 2 752 87 68 LYS C C 178.106 0.014 1 753 87 68 LYS CA C 60.977 0.065 1 754 87 68 LYS CB C 33.105 0.080 1 755 87 68 LYS CD C 29.591 0.000 1 756 87 68 LYS CE C 41.940 0.000 1 757 87 68 LYS CG C 24.509 0.127 1 758 87 68 LYS N N 120.128 0.062 1 759 88 69 LYS H H 8.063 0.007 1 760 88 69 LYS HA H 4.037 0.016 1 761 88 69 LYS HB2 H 1.872 0.004 2 762 88 69 LYS HB3 H 1.811 0.014 2 763 88 69 LYS HG2 H 1.530 0.006 2 764 88 69 LYS HG3 H 1.470 0.033 2 765 88 69 LYS C C 179.104 0.005 1 766 88 69 LYS CA C 59.103 0.049 1 767 88 69 LYS CB C 32.055 0.015 1 768 88 69 LYS CD C 28.870 0.000 1 769 88 69 LYS CE C 41.947 0.000 1 770 88 69 LYS CG C 25.183 0.125 1 771 88 69 LYS N N 118.573 0.042 1 772 89 70 ARG H H 8.445 0.005 1 773 89 70 ARG HA H 3.797 0.011 1 774 89 70 ARG HB2 H 2.187 0.023 2 775 89 70 ARG HE H 6.114 0.004 1 776 89 70 ARG HG2 H 1.661 0.008 2 777 89 70 ARG C C 179.385 0.066 1 778 89 70 ARG CA C 60.277 0.059 1 779 89 70 ARG CB C 29.869 0.057 1 780 89 70 ARG N N 120.882 0.039 1 781 89 70 ARG NE N 83.939 0.051 1 782 90 71 LEU H H 8.517 0.006 1 783 90 71 LEU HA H 4.422 0.015 1 784 90 71 LEU HB2 H 2.309 0.014 2 785 90 71 LEU HB3 H 1.433 0.029 2 786 90 71 LEU HD1 H 0.855 0.000 2 787 90 71 LEU HD2 H 0.970 0.000 2 788 90 71 LEU HG H 0.962 0.011 1 789 90 71 LEU C C 180.524 0.040 1 790 90 71 LEU CA C 58.350 0.060 1 791 90 71 LEU CB C 41.936 0.194 1 792 90 71 LEU CD1 C 24.934 0.094 2 793 90 71 LEU CD2 C 24.934 0.094 2 794 90 71 LEU CG C 27.388 0.036 1 795 90 71 LEU N N 120.562 0.047 1 796 91 72 GLU H H 8.348 0.004 1 797 91 72 GLU HA H 3.970 0.018 1 798 91 72 GLU HB2 H 1.941 0.003 2 799 91 72 GLU HG2 H 2.517 0.021 2 800 91 72 GLU C C 177.794 0.019 1 801 91 72 GLU CA C 58.745 0.045 1 802 91 72 GLU CB C 29.423 0.060 1 803 91 72 GLU CG C 36.521 0.057 1 804 91 72 GLU N N 119.490 0.068 1 805 92 73 ASN H H 7.992 0.005 1 806 92 73 ASN HA H 4.800 0.012 1 807 92 73 ASN HB2 H 3.014 0.023 2 808 92 73 ASN HB3 H 2.761 0.016 2 809 92 73 ASN HD21 H 7.543 0.004 2 810 92 73 ASN HD22 H 7.066 0.003 2 811 92 73 ASN C C 174.715 0.000 1 812 92 73 ASN CA C 52.638 0.064 1 813 92 73 ASN CB C 38.645 0.116 1 814 92 73 ASN N N 115.133 0.037 1 815 92 73 ASN ND2 N 112.546 0.176 1 816 93 74 ASN H H 7.899 0.005 1 817 93 74 ASN HA H 4.867 0.006 1 818 93 74 ASN HB2 H 2.929 0.016 2 819 93 74 ASN HB3 H 2.679 0.023 2 820 93 74 ASN HD21 H 7.522 0.002 2 821 93 74 ASN HD22 H 6.662 0.004 2 822 93 74 ASN C C 174.244 0.031 1 823 93 74 ASN CA C 54.373 0.036 1 824 93 74 ASN CB C 36.290 0.042 1 825 93 74 ASN N N 116.575 0.051 1 826 93 74 ASN ND2 N 112.401 0.192 1 827 94 75 TYR H H 8.547 0.007 1 828 94 75 TYR HA H 4.066 0.005 1 829 94 75 TYR HB2 H 2.960 0.018 2 830 94 75 TYR HB3 H 2.165 0.023 2 831 94 75 TYR HD1 H 6.366 0.013 3 832 94 75 TYR HE1 H 6.633 0.009 3 833 94 75 TYR C C 176.836 0.011 1 834 94 75 TYR CA C 60.193 0.024 1 835 94 75 TYR CB C 40.766 0.081 1 836 94 75 TYR CD1 C 132.411 0.152 3 837 94 75 TYR CD2 C 132.750 0.000 3 838 94 75 TYR CE1 C 117.146 0.042 3 839 94 75 TYR CE2 C 117.141 0.000 3 840 94 75 TYR N N 116.065 0.048 1 841 95 76 TYR H H 8.005 0.005 1 842 95 76 TYR HA H 4.519 0.006 1 843 95 76 TYR HB2 H 3.203 0.010 2 844 95 76 TYR HD1 H 7.606 0.009 3 845 95 76 TYR HE1 H 7.189 0.019 3 846 95 76 TYR C C 175.337 0.035 1 847 95 76 TYR CA C 57.218 0.083 1 848 95 76 TYR CB C 39.001 0.074 1 849 95 76 TYR CD1 C 133.250 0.000 3 850 95 76 TYR CD2 C 133.250 0.000 3 851 95 76 TYR CE1 C 117.860 0.090 3 852 95 76 TYR CE2 C 117.917 0.000 3 853 95 76 TYR N N 115.145 0.048 1 854 96 77 TRP H H 9.811 0.005 1 855 96 77 TRP HA H 4.520 0.006 1 856 96 77 TRP HB2 H 3.464 0.011 2 857 96 77 TRP HB3 H 3.387 0.004 2 858 96 77 TRP HD1 H 7.219 0.019 1 859 96 77 TRP HE1 H 10.208 0.005 1 860 96 77 TRP HE3 H 7.400 0.009 1 861 96 77 TRP HH2 H 7.239 0.007 1 862 96 77 TRP HZ2 H 7.461 0.006 1 863 96 77 TRP HZ3 H 7.098 0.016 1 864 96 77 TRP C C 175.568 0.026 1 865 96 77 TRP CA C 58.754 0.030 1 866 96 77 TRP CB C 30.428 0.057 1 867 96 77 TRP CD1 C 126.925 0.064 1 868 96 77 TRP CE3 C 120.615 0.017 1 869 96 77 TRP CH2 C 124.850 0.046 1 870 96 77 TRP CZ2 C 114.488 0.114 1 871 96 77 TRP CZ3 C 122.065 0.030 1 872 96 77 TRP N N 122.364 0.072 1 873 96 77 TRP NE1 N 129.726 0.063 1 874 97 78 SER H H 7.813 0.004 1 875 97 78 SER HA H 5.075 0.009 1 876 97 78 SER HB2 H 4.063 0.006 2 877 97 78 SER HB3 H 3.649 0.011 2 878 97 78 SER CA C 54.770 0.031 1 879 97 78 SER CB C 65.721 0.050 1 880 97 78 SER N N 108.970 0.029 1 881 98 79 ALA H H 10.371 0.008 1 882 98 79 ALA HA H 3.916 0.001 1 883 98 79 ALA HB H 1.392 0.007 1 884 98 79 ALA C C 178.915 0.000 1 885 98 79 ALA CA C 55.149 0.051 1 886 98 79 ALA CB C 18.615 0.048 1 887 98 79 ALA N N 132.523 0.056 1 888 99 80 SER H H 9.069 0.010 1 889 99 80 SER HA H 3.982 0.005 1 890 99 80 SER HB2 H 4.159 0.013 2 891 99 80 SER C C 177.482 0.000 1 892 99 80 SER CA C 61.813 0.048 1 893 99 80 SER N N 116.894 0.035 1 894 100 81 GLU H H 7.574 0.004 1 895 100 81 GLU HA H 4.237 0.005 1 896 100 81 GLU HB2 H 2.568 0.018 2 897 100 81 GLU HB3 H 2.516 0.018 2 898 100 81 GLU HG2 H 2.664 0.000 2 899 100 81 GLU C C 178.070 0.001 1 900 100 81 GLU CA C 58.470 0.028 1 901 100 81 GLU CB C 31.990 0.192 1 902 100 81 GLU CG C 37.028 0.091 1 903 100 81 GLU N N 122.828 0.027 1 904 101 82 CYS H H 6.495 0.008 1 905 101 82 CYS HA H 3.664 0.013 1 906 101 82 CYS HB2 H 2.640 0.018 2 907 101 82 CYS HB3 H 1.837 0.019 2 908 101 82 CYS C C 176.536 0.000 1 909 101 82 CYS CA C 61.909 0.059 1 910 101 82 CYS CB C 26.444 0.081 1 911 101 82 CYS N N 120.809 0.054 1 912 102 83 MET H H 8.717 0.006 1 913 102 83 MET HA H 4.342 0.011 1 914 102 83 MET HB2 H 2.782 0.012 2 915 102 83 MET HB3 H 2.555 0.005 2 916 102 83 MET HE H 1.922 0.009 2 917 102 83 MET HG2 H 2.413 0.009 2 918 102 83 MET HG3 H 2.337 0.007 2 919 102 83 MET C C 178.189 0.003 1 920 102 83 MET CA C 59.922 0.065 1 921 102 83 MET CB C 32.570 0.184 1 922 102 83 MET CE C 16.230 0.032 1 923 102 83 MET CG C 32.453 0.096 1 924 102 83 MET N N 118.030 0.044 1 925 103 84 GLN H H 7.792 0.012 1 926 103 84 GLN HA H 4.243 0.008 1 927 103 84 GLN HB2 H 2.337 0.005 2 928 103 84 GLN HE21 H 7.548 0.005 2 929 103 84 GLN HE22 H 6.978 0.014 2 930 103 84 GLN HG2 H 2.569 0.004 2 931 103 84 GLN C C 178.194 0.002 1 932 103 84 GLN CA C 59.137 0.053 1 933 103 84 GLN CB C 27.999 0.081 1 934 103 84 GLN CG C 33.830 0.000 1 935 103 84 GLN N N 118.589 0.043 1 936 103 84 GLN NE2 N 112.593 0.168 1 937 104 85 ASP H H 7.706 0.003 1 938 104 85 ASP HA H 4.513 0.010 1 939 104 85 ASP HB2 H 2.939 0.011 2 940 104 85 ASP HB3 H 2.617 0.026 2 941 104 85 ASP C C 178.693 0.037 1 942 104 85 ASP CA C 58.342 0.064 1 943 104 85 ASP CB C 39.584 0.048 1 944 104 85 ASP N N 122.059 0.043 1 945 105 86 PHE H H 8.183 0.012 1 946 105 86 PHE HA H 3.470 0.006 1 947 105 86 PHE HB2 H 2.867 0.012 2 948 105 86 PHE HB3 H 2.076 0.013 2 949 105 86 PHE HD1 H 6.874 0.005 3 950 105 86 PHE HE1 H 7.065 0.022 3 951 105 86 PHE C C 177.088 0.022 1 952 105 86 PHE CA C 63.604 0.061 1 953 105 86 PHE CB C 39.641 0.093 1 954 105 86 PHE CD1 C 132.266 0.096 3 955 105 86 PHE CD2 C 132.117 0.000 3 956 105 86 PHE N N 120.254 0.068 1 957 106 87 ASN H H 8.425 0.012 1 958 106 87 ASN HA H 4.709 0.028 1 959 106 87 ASN HB2 H 3.002 0.015 2 960 106 87 ASN HD21 H 7.717 0.006 2 961 106 87 ASN HD22 H 7.010 0.009 2 962 106 87 ASN C C 178.983 0.010 1 963 106 87 ASN CA C 57.182 0.051 1 964 106 87 ASN CB C 38.464 0.037 1 965 106 87 ASN N N 116.585 0.060 1 966 106 87 ASN ND2 N 111.996 0.188 1 967 107 88 THR H H 9.033 0.011 1 968 107 88 THR HA H 3.830 0.007 1 969 107 88 THR HB H 4.311 0.011 1 970 107 88 THR HG2 H 1.291 0.020 2 971 107 88 THR C C 174.285 0.027 1 972 107 88 THR CA C 66.529 0.030 1 973 107 88 THR CB C 68.791 0.122 1 974 107 88 THR CG2 C 22.781 0.000 1 975 107 88 THR N N 121.534 0.033 1 976 108 89 MET H H 7.857 0.007 1 977 108 89 MET HA H 3.562 0.010 1 978 108 89 MET HB2 H 2.022 0.016 2 979 108 89 MET HE H 1.792 0.000 2 980 108 89 MET HG2 H 2.562 0.007 2 981 108 89 MET C C 179.073 0.006 1 982 108 89 MET CA C 60.179 0.076 1 983 108 89 MET CB C 34.176 0.060 1 984 108 89 MET CE C 17.897 0.000 1 985 108 89 MET CG C 31.505 0.174 1 986 108 89 MET N N 120.727 0.042 1 987 109 90 PHE H H 8.077 0.007 1 988 109 90 PHE HA H 3.861 0.017 1 989 109 90 PHE HB2 H 2.896 0.010 2 990 109 90 PHE HD1 H 6.911 0.014 3 991 109 90 PHE HE1 H 6.462 0.026 3 992 109 90 PHE C C 176.129 0.003 1 993 109 90 PHE CA C 61.754 0.056 1 994 109 90 PHE CB C 37.758 0.077 1 995 109 90 PHE CD1 C 131.678 0.100 3 996 109 90 PHE CD2 C 131.747 0.000 3 997 109 90 PHE CE1 C 130.462 0.060 3 998 109 90 PHE CE2 C 130.472 0.000 3 999 109 90 PHE N N 117.232 0.074 1 1000 110 91 THR H H 8.672 0.011 1 1001 110 91 THR HA H 3.890 0.013 1 1002 110 91 THR HB H 4.324 0.010 1 1003 110 91 THR HG2 H 1.433 0.008 2 1004 110 91 THR C C 176.550 0.000 1 1005 110 91 THR CA C 67.269 0.056 1 1006 110 91 THR CB C 68.844 0.031 1 1007 110 91 THR CG2 C 21.947 0.047 1 1008 110 91 THR N N 113.277 0.053 1 1009 111 92 ASN H H 8.835 0.004 1 1010 111 92 ASN HA H 4.324 0.018 1 1011 111 92 ASN HB2 H 2.930 0.021 2 1012 111 92 ASN HB3 H 2.608 0.028 2 1013 111 92 ASN HD21 H 6.720 0.016 2 1014 111 92 ASN HD22 H 7.427 0.000 2 1015 111 92 ASN C C 176.167 0.002 1 1016 111 92 ASN CA C 55.073 0.037 1 1017 111 92 ASN CB C 38.054 0.066 1 1018 111 92 ASN N N 119.294 0.040 1 1019 112 93 CYS H H 6.939 0.007 1 1020 112 93 CYS HA H 4.178 0.014 1 1021 112 93 CYS HB2 H 3.172 0.009 2 1022 112 93 CYS HB3 H 3.076 0.018 2 1023 112 93 CYS HG H 2.865 0.022 1 1024 112 93 CYS C C 177.279 0.010 1 1025 112 93 CYS CA C 62.124 0.135 1 1026 112 93 CYS CB C 25.883 0.057 1 1027 112 93 CYS N N 118.111 0.055 1 1028 113 94 TYR H H 7.722 0.004 1 1029 113 94 TYR HA H 4.802 0.018 1 1030 113 94 TYR HB2 H 3.357 0.010 2 1031 113 94 TYR HB3 H 3.255 0.021 2 1032 113 94 TYR HD1 H 7.054 0.014 3 1033 113 94 TYR HE1 H 6.986 0.007 3 1034 113 94 TYR C C 178.346 0.025 1 1035 113 94 TYR CA C 56.531 0.023 1 1036 113 94 TYR CB C 36.351 0.114 1 1037 113 94 TYR CD1 C 131.782 0.201 3 1038 113 94 TYR CD2 C 131.333 0.000 3 1039 113 94 TYR CE1 C 118.143 0.035 3 1040 113 94 TYR CE2 C 118.145 0.000 3 1041 113 94 TYR N N 118.770 0.046 1 1042 114 95 ILE H H 8.673 0.003 1 1043 114 95 ILE HA H 4.024 0.007 1 1044 114 95 ILE HB H 1.930 0.019 1 1045 114 95 ILE HD1 H 0.880 0.005 2 1046 114 95 ILE HG12 H 1.230 0.003 2 1047 114 95 ILE HG13 H 1.836 0.008 2 1048 114 95 ILE HG2 H 0.843 0.002 2 1049 114 95 ILE C C 178.374 0.012 1 1050 114 95 ILE CA C 63.820 0.063 1 1051 114 95 ILE CB C 38.526 0.041 1 1052 114 95 ILE CD1 C 13.450 0.053 1 1053 114 95 ILE CG1 C 28.641 0.096 1 1054 114 95 ILE CG2 C 17.255 0.101 1 1055 114 95 ILE N N 118.386 0.072 1 1056 115 96 TYR H H 8.227 0.014 1 1057 115 96 TYR HA H 4.034 0.006 1 1058 115 96 TYR HB2 H 2.989 0.007 2 1059 115 96 TYR HB3 H 2.955 0.012 2 1060 115 96 TYR HD1 H 6.953 0.024 3 1061 115 96 TYR HE1 H 6.675 0.011 3 1062 115 96 TYR C C 175.287 0.000 1 1063 115 96 TYR CA C 62.304 0.071 1 1064 115 96 TYR CB C 40.125 0.041 1 1065 115 96 TYR CD1 C 133.081 0.000 3 1066 115 96 TYR CD2 C 133.081 0.000 3 1067 115 96 TYR CE1 C 118.058 0.058 3 1068 115 96 TYR CE2 C 118.046 0.000 3 1069 115 96 TYR N N 117.990 0.104 1 1070 116 97 ASN H H 7.451 0.008 1 1071 116 97 ASN HA H 4.688 0.017 1 1072 116 97 ASN HB2 H 2.798 0.025 2 1073 116 97 ASN HD21 H 8.777 0.000 2 1074 116 97 ASN C C 174.010 0.016 1 1075 116 97 ASN CA C 52.711 0.100 1 1076 116 97 ASN CB C 42.328 0.119 1 1077 116 97 ASN N N 113.629 0.053 1 1078 117 98 LYS H H 8.522 0.003 1 1079 117 98 LYS HA H 4.526 0.012 1 1080 117 98 LYS HB2 H 1.819 0.021 2 1081 117 98 LYS HD2 H 1.721 0.000 2 1082 117 98 LYS HE2 H 3.028 0.003 2 1083 117 98 LYS HG2 H 1.540 0.019 2 1084 117 98 LYS CA C 54.936 0.056 1 1085 117 98 LYS CB C 31.509 0.055 1 1086 117 98 LYS CD C 28.801 0.045 1 1087 117 98 LYS CE C 41.760 0.085 1 1088 117 98 LYS CG C 25.106 0.029 1 1089 117 98 LYS N N 121.806 0.075 1 1090 118 99 PRO HA H 4.348 0.016 1 1091 118 99 PRO HB2 H 2.417 0.007 2 1092 118 99 PRO HB3 H 1.941 0.041 2 1093 118 99 PRO HD2 H 3.845 0.000 2 1094 118 99 PRO HG2 H 2.146 0.003 2 1095 118 99 PRO HG3 H 2.083 0.005 2 1096 118 99 PRO C C 176.178 0.000 1 1097 118 99 PRO CA C 65.142 0.060 1 1098 118 99 PRO CB C 32.213 0.095 1 1099 118 99 PRO CD C 50.692 0.066 1 1100 118 99 PRO CG C 27.499 0.076 1 1101 119 100 THR H H 6.819 0.008 1 1102 119 100 THR HA H 4.241 0.018 1 1103 119 100 THR HB H 4.559 0.002 1 1104 119 100 THR HG2 H 1.178 0.002 2 1105 119 100 THR C C 175.111 0.007 1 1106 119 100 THR CA C 60.182 0.036 1 1107 119 100 THR CB C 68.960 0.048 1 1108 119 100 THR CG2 C 21.689 0.015 1 1109 119 100 THR N N 101.007 0.052 1 1110 120 101 ASP H H 7.951 0.006 1 1111 120 101 ASP HA H 4.591 0.007 1 1112 120 101 ASP HB2 H 3.093 0.024 2 1113 120 101 ASP HB3 H 2.951 0.020 2 1114 120 101 ASP C C 177.271 0.000 1 1115 120 101 ASP CA C 54.740 0.022 1 1116 120 101 ASP CB C 40.940 0.191 1 1117 120 101 ASP N N 124.468 0.041 1 1118 121 102 ASP H H 9.277 0.022 1 1119 121 102 ASP HA H 4.219 0.005 1 1120 121 102 ASP HB2 H 2.647 0.014 2 1121 121 102 ASP HB3 H 2.541 0.013 2 1122 121 102 ASP C C 178.564 0.000 1 1123 121 102 ASP CA C 57.793 0.035 1 1124 121 102 ASP CB C 40.784 0.075 1 1125 121 102 ASP N N 123.582 0.111 1 1126 122 103 ILE H H 8.546 0.005 1 1127 122 103 ILE HA H 4.140 0.013 1 1128 122 103 ILE HB H 1.756 0.013 1 1129 122 103 ILE HD1 H 0.520 0.014 2 1130 122 103 ILE HG12 H 1.344 0.014 2 1131 122 103 ILE HG13 H 1.084 0.007 2 1132 122 103 ILE HG2 H 0.852 0.036 2 1133 122 103 ILE C C 175.571 0.000 1 1134 122 103 ILE CA C 61.239 0.053 1 1135 122 103 ILE CB C 37.333 0.063 1 1136 122 103 ILE CD1 C 15.224 0.107 1 1137 122 103 ILE CG1 C 28.962 0.113 1 1138 122 103 ILE CG2 C 19.806 0.251 1 1139 122 103 ILE N N 115.152 0.044 1 1140 123 104 VAL H H 6.961 0.006 1 1141 123 104 VAL HA H 3.831 0.006 1 1142 123 104 VAL HB H 2.289 0.005 1 1143 123 104 VAL HG1 H 1.144 0.011 2 1144 123 104 VAL HG2 H 1.067 0.017 2 1145 123 104 VAL C C 177.286 0.007 1 1146 123 104 VAL CA C 67.000 0.050 1 1147 123 104 VAL CB C 31.208 0.100 1 1148 123 104 VAL CG1 C 26.398 0.053 2 1149 123 104 VAL CG2 C 21.671 0.058 2 1150 123 104 VAL N N 123.401 0.070 1 1151 124 105 LEU H H 7.209 0.005 1 1152 124 105 LEU HA H 4.118 0.004 1 1153 124 105 LEU HB2 H 1.808 0.016 2 1154 124 105 LEU HB3 H 1.561 0.024 2 1155 124 105 LEU HD1 H 0.896 0.006 2 1156 124 105 LEU HD2 H 0.871 0.016 2 1157 124 105 LEU HG H 1.775 0.001 1 1158 124 105 LEU C C 181.245 0.011 1 1159 124 105 LEU CA C 58.016 0.027 1 1160 124 105 LEU CB C 40.788 0.069 1 1161 124 105 LEU CD1 C 25.214 0.050 2 1162 124 105 LEU CD2 C 23.213 0.049 2 1163 124 105 LEU CG C 27.489 0.078 1 1164 124 105 LEU N N 121.041 0.048 1 1165 125 106 MET H H 8.191 0.007 1 1166 125 106 MET HA H 3.746 0.012 1 1167 125 106 MET HB2 H 2.257 0.031 2 1168 125 106 MET HB3 H 2.144 0.011 2 1169 125 106 MET HE H 1.804 0.015 2 1170 125 106 MET HG2 H 2.323 0.025 2 1171 125 106 MET C C 177.142 0.017 1 1172 125 106 MET CA C 59.415 0.069 1 1173 125 106 MET CB C 34.778 0.067 1 1174 125 106 MET CE C 17.092 0.085 1 1175 125 106 MET CG C 31.381 0.044 1 1176 125 106 MET N N 119.763 0.060 1 1177 126 107 ALA H H 8.579 0.005 1 1178 126 107 ALA HA H 3.851 0.007 1 1179 126 107 ALA HB H 1.893 0.005 1 1180 126 107 ALA C C 178.757 0.008 1 1181 126 107 ALA CA C 55.841 0.053 1 1182 126 107 ALA CB C 19.661 0.064 1 1183 126 107 ALA N N 121.898 0.051 1 1184 127 108 GLN H H 8.924 0.003 1 1185 127 108 GLN HA H 4.125 0.008 1 1186 127 108 GLN HB2 H 2.294 0.012 2 1187 127 108 GLN HB3 H 1.874 0.004 2 1188 127 108 GLN HE21 H 7.386 0.008 2 1189 127 108 GLN HE22 H 6.771 0.002 2 1190 127 108 GLN HG2 H 3.147 0.000 2 1191 127 108 GLN C C 180.093 0.006 1 1192 127 108 GLN CA C 58.841 0.057 1 1193 127 108 GLN CB C 28.349 0.071 1 1194 127 108 GLN CG C 34.455 0.178 1 1195 127 108 GLN N N 116.026 0.035 1 1196 127 108 GLN NE2 N 110.653 0.185 1 1197 128 109 ALA H H 7.612 0.012 1 1198 128 109 ALA HA H 4.196 0.008 1 1199 128 109 ALA HB H 1.799 0.018 1 1200 128 109 ALA C C 180.863 0.015 1 1201 128 109 ALA CA C 54.874 0.041 1 1202 128 109 ALA CB C 18.100 0.061 1 1203 128 109 ALA N N 122.058 0.054 1 1204 129 110 LEU H H 7.856 0.010 1 1205 129 110 LEU HA H 3.718 0.011 1 1206 129 110 LEU HB2 H 1.910 0.011 2 1207 129 110 LEU HB3 H 1.400 0.009 2 1208 129 110 LEU HD1 H 0.552 0.027 4 1209 129 110 LEU HG H 0.641 0.004 1 1210 129 110 LEU C C 178.471 0.005 1 1211 129 110 LEU CA C 57.474 0.051 1 1212 129 110 LEU CB C 42.395 0.083 1 1213 129 110 LEU CD1 C 23.455 0.078 2 1214 129 110 LEU CD2 C 23.355 0.109 2 1215 129 110 LEU CG C 26.510 0.064 1 1216 129 110 LEU N N 119.125 0.036 1 1217 130 111 GLU H H 9.113 0.007 1 1218 130 111 GLU HA H 3.202 0.010 1 1219 130 111 GLU HB2 H 1.672 0.004 2 1220 130 111 GLU HB3 H 0.650 0.010 2 1221 130 111 GLU HG2 H 1.461 0.002 2 1222 130 111 GLU C C 177.982 0.021 1 1223 130 111 GLU CA C 59.133 0.074 1 1224 130 111 GLU CB C 28.645 0.115 1 1225 130 111 GLU CG C 35.873 0.099 1 1226 130 111 GLU N N 122.255 0.053 1 1227 131 112 LYS H H 7.574 0.003 1 1228 131 112 LYS HA H 3.922 0.003 1 1229 131 112 LYS HB2 H 1.899 0.005 2 1230 131 112 LYS HD2 H 1.698 0.006 2 1231 131 112 LYS HE2 H 2.931 0.025 2 1232 131 112 LYS HG2 H 1.609 0.002 2 1233 131 112 LYS HG3 H 1.409 0.003 2 1234 131 112 LYS C C 179.527 0.012 1 1235 131 112 LYS CA C 60.015 0.072 1 1236 131 112 LYS CB C 32.380 0.138 1 1237 131 112 LYS CD C 29.173 0.091 1 1238 131 112 LYS CE C 41.971 0.113 1 1239 131 112 LYS CG C 25.274 0.044 1 1240 131 112 LYS N N 117.739 0.029 1 1241 132 113 ILE H H 7.048 0.003 1 1242 132 113 ILE HA H 3.818 0.010 1 1243 132 113 ILE HB H 1.923 0.011 1 1244 132 113 ILE HD1 H 0.885 0.013 2 1245 132 113 ILE HG12 H 1.687 0.005 2 1246 132 113 ILE HG13 H 1.273 0.013 2 1247 132 113 ILE HG2 H 0.920 0.009 2 1248 132 113 ILE C C 177.764 0.006 1 1249 132 113 ILE CA C 64.177 0.052 1 1250 132 113 ILE CB C 37.628 0.071 1 1251 132 113 ILE CD1 C 13.352 0.172 1 1252 132 113 ILE CG1 C 28.343 0.085 1 1253 132 113 ILE CG2 C 17.820 0.046 1 1254 132 113 ILE N N 119.662 0.052 1 1255 133 114 PHE H H 8.756 0.010 1 1256 133 114 PHE HA H 3.827 0.013 1 1257 133 114 PHE HB2 H 3.502 0.015 2 1258 133 114 PHE HB3 H 3.017 0.007 2 1259 133 114 PHE HD1 H 6.691 0.016 3 1260 133 114 PHE HE1 H 6.918 0.008 3 1261 133 114 PHE HZ H 6.403 0.005 1 1262 133 114 PHE C C 176.112 0.033 1 1263 133 114 PHE CA C 61.767 0.011 1 1264 133 114 PHE CB C 38.791 0.037 1 1265 133 114 PHE CD1 C 131.224 0.092 3 1266 133 114 PHE CD2 C 131.316 0.000 3 1267 133 114 PHE CZ C 127.209 0.067 1 1268 133 114 PHE N N 121.753 0.060 1 1269 134 115 LEU H H 8.728 0.005 1 1270 134 115 LEU HA H 3.657 0.011 1 1271 134 115 LEU HB2 H 1.867 0.014 2 1272 134 115 LEU HB3 H 1.349 0.018 2 1273 134 115 LEU HD1 H 2.009 0.007 2 1274 134 115 LEU HD2 H 0.875 0.024 2 1275 134 115 LEU HG H 0.905 0.020 1 1276 134 115 LEU C C 180.382 0.016 1 1277 134 115 LEU CA C 57.686 0.047 1 1278 134 115 LEU CB C 41.615 0.109 1 1279 134 115 LEU CD1 C 26.998 0.099 2 1280 134 115 LEU CD2 C 21.894 0.072 2 1281 134 115 LEU CG C 25.487 0.069 1 1282 134 115 LEU N N 118.548 0.051 1 1283 135 116 GLN H H 7.777 0.005 1 1284 135 116 GLN HA H 4.039 0.015 1 1285 135 116 GLN HB2 H 2.299 0.022 2 1286 135 116 GLN HB3 H 2.184 0.016 2 1287 135 116 GLN HE21 H 7.068 0.003 2 1288 135 116 GLN HE22 H 6.730 0.000 2 1289 135 116 GLN HG2 H 2.603 0.023 2 1290 135 116 GLN C C 179.195 0.011 1 1291 135 116 GLN CA C 58.860 0.083 1 1292 135 116 GLN CB C 28.257 0.145 1 1293 135 116 GLN CG C 33.884 0.086 1 1294 135 116 GLN N N 119.928 0.038 1 1295 135 116 GLN NE2 N 110.967 0.091 1 1296 136 117 LYS H H 8.455 0.005 1 1297 136 117 LYS HA H 4.274 0.016 1 1298 136 117 LYS HB2 H 2.061 0.003 2 1299 136 117 LYS HB3 H 1.645 0.011 2 1300 136 117 LYS HD2 H 1.469 0.005 2 1301 136 117 LYS HE2 H 2.838 0.023 2 1302 136 117 LYS HG2 H 1.237 0.012 2 1303 136 117 LYS C C 182.142 0.013 1 1304 136 117 LYS CA C 56.562 0.109 1 1305 136 117 LYS CB C 32.085 0.136 1 1306 136 117 LYS CD C 27.065 0.063 1 1307 136 117 LYS CE C 41.840 0.043 1 1308 136 117 LYS CG C 23.739 0.063 1 1309 136 117 LYS N N 115.175 0.035 1 1310 137 118 VAL H H 9.015 0.004 1 1311 137 118 VAL HA H 3.680 0.013 1 1312 137 118 VAL HB H 1.866 0.012 1 1313 137 118 VAL HG1 H 0.680 0.015 2 1314 137 118 VAL HG2 H 0.452 0.023 2 1315 137 118 VAL C C 177.726 0.024 1 1316 137 118 VAL CA C 66.680 0.060 1 1317 137 118 VAL CB C 31.195 0.102 1 1318 137 118 VAL CG1 C 21.783 0.106 2 1319 137 118 VAL CG2 C 22.193 0.171 2 1320 137 118 VAL N N 123.173 0.034 1 1321 138 119 ALA H H 7.397 0.005 1 1322 138 119 ALA HA H 4.141 0.006 1 1323 138 119 ALA HB H 1.496 0.005 1 1324 138 119 ALA C C 178.222 0.014 1 1325 138 119 ALA CA C 54.283 0.007 1 1326 138 119 ALA CB C 18.039 0.054 1 1327 138 119 ALA N N 122.480 0.047 1 1328 139 120 GLN H H 6.855 0.008 1 1329 139 120 GLN HA H 4.368 0.012 1 1330 139 120 GLN HB2 H 2.419 0.013 2 1331 139 120 GLN HB3 H 1.941 0.006 2 1332 139 120 GLN HE21 H 7.445 0.000 2 1333 139 120 GLN HE22 H 6.849 0.001 2 1334 139 120 GLN HG2 H 2.348 0.004 2 1335 139 120 GLN HG3 H 2.447 0.003 2 1336 139 120 GLN C C 174.300 0.019 1 1337 139 120 GLN CA C 54.335 0.040 1 1338 139 120 GLN CB C 29.231 0.097 1 1339 139 120 GLN CG C 33.923 0.065 1 1340 139 120 GLN N N 113.027 0.046 1 1341 139 120 GLN NE2 N 111.383 0.084 1 1342 140 121 MET H H 7.057 0.009 1 1343 140 121 MET HA H 2.797 0.017 1 1344 140 121 MET HB2 H 1.578 0.022 2 1345 140 121 MET HB3 H 1.874 0.014 2 1346 140 121 MET HE H 2.052 0.012 2 1347 140 121 MET HG2 H 1.955 0.012 2 1348 140 121 MET HG3 H 2.598 0.009 2 1349 140 121 MET C C 173.074 0.000 1 1350 140 121 MET CA C 53.972 0.032 1 1351 140 121 MET CB C 35.275 0.036 1 1352 140 121 MET CE C 16.899 0.022 1 1353 140 121 MET CG C 29.842 0.040 1 1354 140 121 MET N N 121.993 0.044 1 1355 141 122 PRO HA H 4.258 0.003 1 1356 141 122 PRO HB2 H 2.377 0.007 2 1357 141 122 PRO HB3 H 1.735 0.007 2 1358 141 122 PRO HD2 H 3.254 0.000 2 1359 141 122 PRO HG2 H 1.629 0.000 2 1360 141 122 PRO C C 177.276 0.000 1 1361 141 122 PRO CA C 63.207 0.053 1 1362 141 122 PRO CB C 31.871 0.050 1 1363 141 122 PRO CD C 50.584 0.071 1 1364 141 122 PRO CG C 27.787 0.000 1 1365 142 123 GLN H H 8.514 0.003 1 1366 142 123 GLN HA H 3.824 0.013 1 1367 142 123 GLN HB2 H 2.135 0.008 2 1368 142 123 GLN HB3 H 1.951 0.008 2 1369 142 123 GLN HE21 H 7.534 0.002 2 1370 142 123 GLN HE22 H 6.902 0.002 2 1371 142 123 GLN HG2 H 2.403 0.007 2 1372 142 123 GLN C C 175.662 0.008 1 1373 142 123 GLN CA C 57.928 0.031 1 1374 142 123 GLN CB C 29.347 0.059 1 1375 142 123 GLN CG C 34.315 0.113 1 1376 142 123 GLN N N 121.770 0.053 1 1377 142 123 GLN NE2 N 113.550 0.191 1 1378 143 124 GLU H H 7.912 0.003 1 1379 143 124 GLU HA H 4.492 0.009 1 1380 143 124 GLU HB2 H 1.900 0.011 2 1381 143 124 GLU HB3 H 1.820 0.036 2 1382 143 124 GLU HG2 H 2.100 0.012 2 1383 143 124 GLU HG3 H 2.163 0.025 2 1384 143 124 GLU C C 174.555 0.019 1 1385 143 124 GLU CA C 54.693 0.072 1 1386 143 124 GLU CB C 30.880 0.084 1 1387 143 124 GLU CG C 35.959 0.076 1 1388 143 124 GLU N N 118.900 0.029 1 1389 144 125 GLU H H 8.844 0.005 1 1390 144 125 GLU HA H 4.875 0.015 1 1391 144 125 GLU HB2 H 1.744 0.025 2 1392 144 125 GLU HB3 H 2.095 0.008 2 1393 144 125 GLU HG2 H 1.930 0.009 2 1394 144 125 GLU HG3 H 2.108 0.003 2 1395 144 125 GLU C C 175.637 0.014 1 1396 144 125 GLU CA C 56.376 0.056 1 1397 144 125 GLU CB C 29.855 0.069 1 1398 144 125 GLU CG C 38.507 0.107 1 1399 144 125 GLU N N 127.583 0.017 1 1400 145 126 VAL H H 8.771 0.003 1 1401 145 126 VAL HA H 4.398 0.014 1 1402 145 126 VAL HB H 1.893 0.004 1 1403 145 126 VAL HG1 H 0.903 0.014 2 1404 145 126 VAL HG2 H 0.813 0.015 2 1405 145 126 VAL C C 174.530 0.011 1 1406 145 126 VAL CA C 59.858 0.023 1 1407 145 126 VAL CB C 35.478 0.099 1 1408 145 126 VAL CG1 C 21.052 0.055 2 1409 145 126 VAL CG2 C 19.492 0.038 2 1410 145 126 VAL N N 126.851 0.067 1 1411 146 127 GLU H H 8.685 0.003 1 1412 146 127 GLU HA H 4.288 0.016 1 1413 146 127 GLU HB2 H 1.996 0.016 2 1414 146 127 GLU HB3 H 1.847 0.017 2 1415 146 127 GLU HG2 H 2.476 0.017 2 1416 146 127 GLU HG3 H 2.354 0.017 2 1417 146 127 GLU C C 175.188 0.079 1 1418 146 127 GLU CA C 56.984 0.127 1 1419 146 127 GLU CB C 30.268 0.049 1 1420 146 127 GLU CG C 36.757 0.124 1 1421 146 127 GLU N N 125.945 0.039 1 1422 147 128 LEU H H 7.801 0.005 1 1423 147 128 LEU HA H 4.227 0.019 1 1424 147 128 LEU HB2 H 1.325 0.020 2 1425 147 128 LEU HB3 H 1.544 0.008 2 1426 147 128 LEU HD1 H 0.749 0.020 2 1427 147 128 LEU HD2 H 0.803 0.014 2 1428 147 128 LEU HG H 1.381 0.004 1 1429 147 128 LEU C C 181.950 0.000 1 1430 147 128 LEU CA C 55.804 0.041 1 1431 147 128 LEU CB C 43.321 0.042 1 1432 147 128 LEU CD1 C 25.985 0.062 2 1433 147 128 LEU CD2 C 22.699 0.046 2 1434 147 128 LEU CG C 27.545 0.044 1 1435 147 128 LEU N N 131.220 0.043 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity ',' ',,' ',,' ',,' stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D (H)CCH-TOCSY' '3D HNHA' '3D HCC(CO)NH TOCSY' '3D CC(CO)NH TOCSY' '3D 13C NOESY' '3D 15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'GATA-1 C-tail' _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 1 312 5 ALY H H 8.028 0.006 1 2 312 5 ALY HA H 4.163 0.003 1 3 312 5 ALY HB2 H 1.675 0.013 2 4 312 5 ALY HB3 H 1.840 0.018 2 5 312 5 ALY HE2 H 3.360 0.000 2 6 312 5 ALY HG2 H 1.285 0.019 2 7 312 5 ALY HG3 H 1.378 0.003 2 8 312 5 ALY HZ1 H 8.006 0.011 1 9 312 5 ALY HZ2 H 8.006 0.011 1 10 312 5 ALY HZ3 H 8.006 0.011 1 11 312 5 ALY HH31 H 2.094 0.010 2 12 312 5 ALY HH32 H 2.094 0.010 2 13 312 5 ALY HH33 H 2.094 0.010 2 14 313 6 GLY H H 8.594 0.016 1 15 313 6 GLY HA2 H 3.875 0.005 2 16 314 7 LYS H H 8.395 0.006 1 17 314 7 LYS HA H 4.418 0.004 1 18 314 7 LYS HB2 H 1.801 0.008 2 19 314 7 LYS HB3 H 1.902 0.008 2 20 314 7 LYS HG2 H 1.494 0.000 2 21 315 8 ALY H H 7.867 0.009 1 22 315 8 ALY HA H 4.357 0.002 1 23 315 8 ALY HB2 H 1.767 0.009 2 24 315 8 ALY HB3 H 1.878 0.011 2 25 315 8 ALY HD2 H 1.485 0.018 2 26 315 8 ALY HD3 H 1.636 0.005 2 27 315 8 ALY HE2 H 3.133 0.019 2 28 315 8 ALY HG2 H 1.220 0.001 2 29 315 8 ALY HG3 H 1.287 0.015 2 30 315 8 ALY HZ1 H 7.955 0.015 1 31 315 8 ALY HZ2 H 7.955 0.015 1 32 315 8 ALY HZ3 H 7.955 0.015 1 33 315 8 ALY HM1 H 2.072 0.013 2 34 316 9 LEU H H 8.353 0.004 1 35 316 9 LEU HA H 4.347 0.000 1 36 316 9 LEU HB2 H 1.784 0.006 2 37 316 9 LEU HB3 H 1.853 0.000 2 38 317 10 ARG H H 8.456 0.002 1 39 317 10 ARG HA H 4.293 0.005 1 40 317 10 ARG HB2 H 1.751 0.000 2 41 317 10 ARG HB3 H 1.830 0.000 2 42 317 10 ARG HD2 H 3.231 0.002 2 43 317 10 ARG HE H 7.250 0.007 1 44 317 10 ARG HG2 H 1.563 0.000 2 45 320 13 ASN H H 8.183 0.001 1 46 320 13 ASN HA H 4.498 0.002 1 47 320 13 ASN HB2 H 2.790 0.003 2 48 320 13 ASN HB3 H 2.689 0.001 2 49 320 13 ASN HD21 H 6.831 0.010 2 50 320 13 ASN HD22 H 7.528 0.010 2 stop_ loop_ _Atom_shift_assign_ID_ambiguity ',' ',,' ',,' ',,' stop_ save_