data_15173 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The MYND domain from human AML1-ETO fused to a SMRT peptide through a TEV cleavable linker ; _BMRB_accession_number 15173 _BMRB_flat_file_name bmr15173.str _Entry_type original _Submission_date 2007-03-14 _Accession_date 2007-03-14 _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 Liu Yizhou . . 2 Chen Wei . . 3 Gaudet Justin . . 4 Cheney Matthew . . 5 Roudaia Liya . . 6 Cierpicki Tomasz . . 7 Klet Rachel . . 8 Hartman Kari . . 9 Laue Thomas . . 10 Speck Nancy . . 11 Bushweller John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 330 "13C chemical shifts" 248 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-24 original author . stop_ _Original_release_date 2007-10-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17560331 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Yizhou . . 2 Chen Wei . . 3 Gaudet Justin . . 4 Cheney Matthew . . 5 Roudaia Liya . . 6 Cierpicki Tomasz . . 7 Klet Rachel . . 8 Hartman Kari . . 9 Laue Thomas . . 10 Speck Nancy . . 11 Bushweller John . . stop_ _Journal_abbreviation 'Cancer Cell' _Journal_volume 11 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 483 _Page_last 497 _Year 2007 _Details . loop_ _Keyword 'acute myeloid leukemia' AML1-ETO MYND 'zinc finger protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SMRT-MYND _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SMRT-MYND $SMRT-MYND 'ZINC ION, 1' $ZN 'ZINC ION, 2' $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_SMRT-MYND _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SMRT-MYND _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; TISNPPPLISSAKENLYFQG DSSESCWNCGRKASETCSGC NTARYCGSFCQHKDWEKHHH ICGQTLQAQQ ; loop_ _Residue_seq_code _Residue_label 1 THR 2 ILE 3 SER 4 ASN 5 PRO 6 PRO 7 PRO 8 LEU 9 ILE 10 SER 11 SER 12 ALA 13 LYS 14 GLU 15 ASN 16 LEU 17 TYR 18 PHE 19 GLN 20 GLY 21 ASP 22 SER 23 SER 24 GLU 25 SER 26 CYS 27 TRP 28 ASN 29 CYS 30 GLY 31 ARG 32 LYS 33 ALA 34 SER 35 GLU 36 THR 37 CYS 38 SER 39 GLY 40 CYS 41 ASN 42 THR 43 ALA 44 ARG 45 TYR 46 CYS 47 GLY 48 SER 49 PHE 50 CYS 51 GLN 52 HIS 53 LYS 54 ASP 55 TRP 56 GLU 57 LYS 58 HIS 59 HIS 60 HIS 61 ILE 62 CYS 63 GLY 64 GLN 65 THR 66 LEU 67 GLN 68 ALA 69 GLN 70 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15161 ETO_MYND 71.43 50 100.00 100.00 1.04e-27 PDB 2OD1 "Solution Structure Of The Mynd Domain From Human Aml1-Eto" 71.43 60 100.00 100.00 9.99e-28 PDB 2ODD "Solution Structure Of The Mynd Domain From Aml1-Eto Complexed With Smrt, A Corepressor" 81.43 64 100.00 100.00 1.43e-33 DBJ BAA03089 "AML1-MTG8 fusion protein [Homo sapiens]" 74.29 752 98.08 98.08 3.67e-28 DBJ BAA03247 "MTG8 protein [Homo sapiens]" 74.29 567 98.08 98.08 2.60e-28 DBJ BAA03558 "MTG8b protein [Homo sapiens]" 74.29 604 98.08 98.08 5.11e-28 DBJ BAA07755 "MTG8a protein [Homo sapiens]" 74.29 577 98.08 98.08 2.54e-28 DBJ BAE72935 "hypothetical protein [Macaca fascicularis]" 74.29 577 98.08 98.08 2.87e-28 EMBL CAA56311 "ETO [Homo sapiens]" 74.29 574 98.08 98.08 2.80e-28 EMBL CAG33073 "CBFA2T1 [Homo sapiens]" 74.29 577 98.08 98.08 2.54e-28 GB AAB34819 "AMLI-ETO fusion protein, partial [Homo sapiens]" 74.29 588 98.08 98.08 2.65e-28 GB AAC28931 "putative transcription factor [Homo sapiens]" 74.29 577 98.08 98.08 2.54e-28 GB AAC28932 "putative transcription factor [Homo sapiens]" 74.29 604 98.08 98.08 5.11e-28 GB AAG33024 "MTG8 [Homo sapiens]" 65.71 91 100.00 100.00 2.48e-26 GB AAH05850 "Runt-related transcription factor 1; translocated to, 1 (cyclin D-related) [Homo sapiens]" 74.29 567 98.08 98.08 2.60e-28 REF NP_001185554 "protein CBFA2T1 isoform A [Homo sapiens]" 74.29 577 98.08 98.08 2.54e-28 REF NP_001185555 "protein CBFA2T1 isoform B [Homo sapiens]" 74.29 604 98.08 98.08 5.11e-28 REF NP_001185556 "protein CBFA2T1 isoform B [Homo sapiens]" 74.29 604 98.08 98.08 5.11e-28 REF NP_001185557 "protein CBFA2T1 isoform B [Homo sapiens]" 74.29 604 98.08 98.08 5.11e-28 REF NP_001185558 "protein CBFA2T1 isoform B [Homo sapiens]" 74.29 604 98.08 98.08 5.11e-28 SP Q06455 "RecName: Full=Protein CBFA2T1; AltName: Full=Cyclin-D-related protein; AltName: Full=Eight twenty one protein; AltName: Full=Pr" 74.29 604 98.08 98.08 5.11e-28 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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 $SMRT-MYND 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 $SMRT-MYND 'recombinant technology' . Escherichia coli . pGEX4T3 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 $SMRT-MYND 1 mM '[U-99% 13C; U-99% 15N]' $ZN 50 uM 'natural abundance' Bis-Tris 25 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 25mM Bis-Tris, 5mM DTT, 5% D2O ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.8 . pH pressure 1 . atm temperature 310 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.10132918 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' 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 SMRT-MYND _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 THR H H 8.196 0.000 1 2 1 1 THR HB H 4.146 0.000 1 3 1 1 THR HG2 H 1.098 0.000 1 4 1 1 THR C C 174.378 0.000 1 5 1 1 THR CA C 61.891 0.000 1 6 1 1 THR CB C 69.856 0.000 1 7 1 1 THR CG2 C 21.581 0.000 1 8 1 1 THR N N 123.488 0.000 1 9 2 2 ILE H H 8.155 0.012 1 10 2 2 ILE HA H 4.175 0.005 1 11 2 2 ILE HB H 1.758 0.004 1 12 2 2 ILE HG12 H 1.090 0.005 2 13 2 2 ILE HG13 H 1.356 0.006 2 14 2 2 ILE HG2 H 0.791 0.007 1 15 2 2 ILE HD1 H 0.652 0.006 1 16 2 2 ILE CA C 61.179 0.031 1 17 2 2 ILE CB C 38.939 0.000 1 18 2 2 ILE CG1 C 27.190 0.072 1 19 2 2 ILE CG2 C 17.540 0.000 1 20 2 2 ILE CD1 C 13.055 0.000 1 21 2 2 ILE N N 122.576 0.008 1 22 3 3 SER H H 8.213 0.013 1 23 3 3 SER HA H 4.466 0.008 1 24 3 3 SER HB2 H 3.916 0.009 2 25 3 3 SER CA C 58.101 0.023 1 26 3 3 SER CB C 64.231 0.053 1 27 3 3 SER N N 119.255 0.030 1 28 4 4 ASN H H 8.234 0.008 1 29 4 4 ASN HA H 4.820 0.004 1 30 4 4 ASN HB2 H 2.423 0.006 2 31 4 4 ASN HB3 H 2.553 0.004 2 32 4 4 ASN CA C 51.057 0.081 1 33 4 4 ASN CB C 38.861 0.057 1 34 4 4 ASN N N 120.881 0.201 1 35 5 5 PRO HA H 2.443 0.007 1 36 5 5 PRO HB2 H 0.964 0.010 2 37 5 5 PRO HB3 H 1.083 0.008 2 38 5 5 PRO HG2 H 0.719 0.006 2 39 5 5 PRO HG3 H 0.487 0.011 2 40 5 5 PRO HD2 H 2.889 0.005 2 41 5 5 PRO HD3 H 3.007 0.006 2 42 5 5 PRO CA C 60.461 0.098 1 43 5 5 PRO CB C 29.737 0.040 1 44 5 5 PRO CG C 25.829 0.040 1 45 5 5 PRO CD C 49.718 0.017 1 46 6 6 PRO HA H 4.478 0.004 1 47 6 6 PRO HB2 H 1.805 0.005 2 48 6 6 PRO HB3 H 2.103 0.007 2 49 6 6 PRO HG2 H 1.802 0.003 2 50 6 6 PRO HG3 H 1.923 0.010 2 51 6 6 PRO HD2 H 2.978 0.009 2 52 6 6 PRO HD3 H 3.043 0.008 2 53 6 6 PRO CA C 61.284 0.049 1 54 6 6 PRO CB C 30.777 0.026 1 55 6 6 PRO CG C 27.974 0.036 1 56 6 6 PRO CD C 50.496 0.037 1 57 7 7 PRO HA H 4.333 0.004 1 58 7 7 PRO HB2 H 1.653 0.007 2 59 7 7 PRO HB3 H 2.291 0.006 2 60 7 7 PRO HG2 H 1.919 0.003 2 61 7 7 PRO HG3 H 1.968 0.003 2 62 7 7 PRO HD2 H 3.333 0.006 2 63 7 7 PRO HD3 H 3.627 0.004 2 64 7 7 PRO C C 177.814 0.000 1 65 7 7 PRO CA C 63.140 0.047 1 66 7 7 PRO CB C 32.132 0.063 1 67 7 7 PRO CG C 27.672 0.052 1 68 7 7 PRO CD C 49.791 0.052 1 69 8 8 LEU H H 8.541 0.011 1 70 8 8 LEU HA H 4.757 0.005 1 71 8 8 LEU HB2 H 1.384 0.007 2 72 8 8 LEU HB3 H 1.640 0.013 2 73 8 8 LEU HG H 1.624 0.008 1 74 8 8 LEU HD1 H 0.561 0.008 2 75 8 8 LEU C C 177.341 0.000 1 76 8 8 LEU CA C 54.200 0.038 1 77 8 8 LEU CB C 42.843 0.103 1 78 8 8 LEU CG C 26.254 0.024 1 79 8 8 LEU CD1 C 23.864 0.059 2 80 8 8 LEU N N 123.966 0.013 1 81 9 9 ILE H H 9.136 0.012 1 82 9 9 ILE HA H 4.467 0.004 1 83 9 9 ILE HB H 1.763 0.007 1 84 9 9 ILE HG12 H 0.981 0.010 2 85 9 9 ILE HG13 H 1.351 0.005 2 86 9 9 ILE HG2 H 0.856 0.005 1 87 9 9 ILE HD1 H 0.764 0.007 1 88 9 9 ILE C C 175.773 0.000 1 89 9 9 ILE CA C 59.832 0.056 1 90 9 9 ILE CB C 40.989 0.090 1 91 9 9 ILE CG1 C 26.715 0.047 1 92 9 9 ILE CG2 C 17.583 0.101 1 93 9 9 ILE CD1 C 13.244 0.049 1 94 9 9 ILE N N 120.380 0.033 1 95 10 10 SER H H 8.591 0.009 1 96 10 10 SER HA H 4.673 0.004 1 97 10 10 SER HB2 H 3.869 0.005 2 98 10 10 SER C C 175.261 0.000 1 99 10 10 SER CA C 58.606 0.043 1 100 10 10 SER CB C 63.810 0.062 1 101 10 10 SER N N 120.684 0.014 1 102 11 11 SER H H 8.402 0.013 1 103 11 11 SER HA H 4.362 0.004 1 104 11 11 SER HB2 H 3.723 0.005 2 105 11 11 SER C C 174.158 0.000 1 106 11 11 SER CA C 58.502 0.041 1 107 11 11 SER CB C 63.766 0.023 1 108 11 11 SER N N 120.046 0.018 1 109 12 12 ALA H H 8.324 0.012 1 110 12 12 ALA HA H 4.287 0.012 1 111 12 12 ALA HB H 1.353 0.012 1 112 12 12 ALA C C 177.736 0.000 1 113 12 12 ALA CA C 52.692 0.109 1 114 12 12 ALA CB C 19.280 0.061 1 115 12 12 ALA N N 125.941 0.018 1 116 13 13 LYS H H 8.150 0.013 1 117 13 13 LYS HA H 4.200 0.004 1 118 13 13 LYS HB2 H 1.727 0.001 2 119 13 13 LYS HB3 H 1.801 0.004 2 120 13 13 LYS HG2 H 1.388 0.005 2 121 13 13 LYS HD2 H 1.636 0.006 2 122 13 13 LYS CA C 56.805 0.095 1 123 13 13 LYS CB C 33.030 0.047 1 124 13 13 LYS CG C 24.712 0.058 1 125 13 13 LYS CD C 29.052 0.000 1 126 13 13 LYS CE C 42.229 0.064 1 127 13 13 LYS N N 120.128 0.013 1 128 14 14 GLU H H 8.341 0.015 1 129 14 14 GLU CA C 56.953 0.000 1 130 14 14 GLU CB C 30.044 0.000 1 131 14 14 GLU CG C 36.359 0.000 1 132 14 14 GLU N N 120.460 0.010 1 133 15 15 ASN H H 8.271 0.006 1 134 15 15 ASN HA H 4.604 0.003 1 135 15 15 ASN HB2 H 2.703 0.006 2 136 15 15 ASN HB3 H 2.783 0.008 2 137 15 15 ASN CA C 53.367 0.036 1 138 15 15 ASN CB C 38.802 0.040 1 139 15 15 ASN N N 118.746 0.099 1 140 16 16 LEU H H 7.999 0.015 1 141 16 16 LEU HA H 4.156 0.003 1 142 16 16 LEU HB2 H 1.290 0.003 2 143 16 16 LEU HB3 H 1.413 0.003 2 144 16 16 LEU HG H 1.401 0.005 1 145 16 16 LEU HD1 H 0.758 0.002 2 146 16 16 LEU HD2 H 0.821 0.004 2 147 16 16 LEU CA C 55.862 0.189 1 148 16 16 LEU CB C 42.298 0.030 1 149 16 16 LEU CG C 27.108 0.017 1 150 16 16 LEU CD1 C 23.464 0.040 1 151 16 16 LEU CD2 C 24.919 0.008 1 152 16 16 LEU N N 121.789 0.016 1 153 17 17 TYR H H 7.962 0.013 1 154 17 17 TYR HA H 4.482 0.006 1 155 17 17 TYR HB2 H 2.824 0.004 2 156 17 17 TYR HB3 H 2.968 0.004 2 157 17 17 TYR HD2 H 7.008 0.001 3 158 17 17 TYR HE2 H 6.768 0.000 3 159 17 17 TYR CA C 57.854 0.044 1 160 17 17 TYR CB C 38.573 0.042 1 161 17 17 TYR CD2 C 130.772 0.003 3 162 17 17 TYR N N 119.015 0.019 1 163 18 18 PHE H H 7.932 0.015 1 164 18 18 PHE HA H 4.541 0.001 1 165 18 18 PHE HB2 H 3.026 0.002 2 166 18 18 PHE HD1 H 7.201 0.000 3 167 18 18 PHE CA C 57.756 0.042 1 168 18 18 PHE CB C 39.620 0.000 1 169 18 18 PHE N N 121.009 0.012 1 170 19 19 GLN H H 8.246 0.014 1 171 19 19 GLN HA H 4.248 0.000 1 172 19 19 GLN HB2 H 2.237 0.000 2 173 19 19 GLN CA C 55.820 0.000 1 174 19 19 GLN CB C 29.538 0.000 1 175 19 19 GLN CG C 33.963 0.000 1 176 19 19 GLN N N 122.169 0.006 1 177 20 20 GLY H H 7.787 0.017 1 178 20 20 GLY HA2 H 3.836 0.007 2 179 20 20 GLY HA3 H 3.916 0.004 2 180 20 20 GLY CA C 45.389 0.063 1 181 20 20 GLY N N 109.245 0.017 1 182 21 21 ASP H H 8.230 0.016 1 183 21 21 ASP HA H 4.614 0.001 1 184 21 21 ASP HB2 H 2.661 0.004 2 185 21 21 ASP CA C 54.509 0.091 1 186 21 21 ASP CB C 41.554 0.018 1 187 21 21 ASP N N 120.590 0.085 1 188 22 22 SER H H 8.341 0.015 1 189 22 22 SER HA H 4.425 0.000 1 190 22 22 SER HB2 H 3.853 0.010 2 191 22 22 SER CA C 58.707 0.000 1 192 22 22 SER CB C 63.730 0.000 1 193 22 22 SER N N 116.609 0.018 1 194 23 23 SER H H 8.378 0.017 1 195 23 23 SER HA H 4.430 0.007 1 196 23 23 SER HB2 H 3.829 0.000 2 197 23 23 SER HB3 H 3.899 0.000 2 198 23 23 SER C C 174.702 0.000 1 199 23 23 SER CA C 58.932 0.116 1 200 23 23 SER CB C 63.857 0.000 1 201 23 23 SER N N 117.654 0.013 1 202 24 24 GLU H H 8.240 0.014 1 203 24 24 GLU HA H 4.420 0.004 1 204 24 24 GLU HB2 H 1.910 0.005 2 205 24 24 GLU HB3 H 2.186 0.020 2 206 24 24 GLU HG2 H 2.252 0.005 2 207 24 24 GLU C C 175.660 0.000 1 208 24 24 GLU CA C 56.082 0.029 1 209 24 24 GLU CB C 30.721 0.000 1 210 24 24 GLU CG C 36.278 0.030 1 211 24 24 GLU N N 121.580 0.019 1 212 25 25 SER H H 7.899 0.010 1 213 25 25 SER HA H 4.497 0.006 1 214 25 25 SER HB2 H 3.571 0.006 2 215 25 25 SER C C 172.899 0.000 1 216 25 25 SER CA C 57.938 0.028 1 217 25 25 SER CB C 64.951 0.066 1 218 25 25 SER N N 115.978 0.021 1 219 26 26 CYS H H 9.519 0.009 1 220 26 26 CYS HA H 3.986 0.007 1 221 26 26 CYS HB2 H 2.866 0.010 2 222 26 26 CYS HB3 H 3.440 0.005 2 223 26 26 CYS C C 178.206 0.000 1 224 26 26 CYS CA C 59.379 0.077 1 225 26 26 CYS CB C 30.612 0.040 1 226 26 26 CYS N N 123.555 0.021 1 227 27 27 TRP H H 9.756 0.011 1 228 27 27 TRP HA H 4.459 0.005 1 229 27 27 TRP HB2 H 2.856 0.009 2 230 27 27 TRP HB3 H 3.450 0.005 2 231 27 27 TRP HD1 H 7.733 0.004 1 232 27 27 TRP HE1 H 10.422 0.011 1 233 27 27 TRP HE3 H 7.843 0.003 1 234 27 27 TRP HZ2 H 7.389 0.003 1 235 27 27 TRP HZ3 H 7.293 0.005 1 236 27 27 TRP HH2 H 7.267 0.005 1 237 27 27 TRP C C 175.698 0.000 1 238 27 27 TRP CA C 60.221 0.049 1 239 27 27 TRP CB C 28.528 0.048 1 240 27 27 TRP CD1 C 123.213 0.043 1 241 27 27 TRP CE3 C 119.669 0.021 1 242 27 27 TRP CZ2 C 112.5 0.012 1 243 27 27 TRP CZ3 C 119.669 0.016 1 244 27 27 TRP CH2 C 122.641 0.028 1 245 27 27 TRP N N 133.291 0.042 1 246 27 27 TRP NE1 N 128.952 0.023 1 247 28 28 ASN H H 9.591 0.011 1 248 28 28 ASN HA H 5.310 0.005 1 249 28 28 ASN HB2 H 2.596 0.007 2 250 28 28 ASN HB3 H 3.626 0.011 2 251 28 28 ASN HD21 H 6.755 0.008 2 252 28 28 ASN HD22 H 8.960 0.008 2 253 28 28 ASN C C 175.093 0.000 1 254 28 28 ASN CA C 56.512 0.059 1 255 28 28 ASN CB C 42.123 0.040 1 256 28 28 ASN N N 118.744 0.017 1 257 28 28 ASN ND2 N 118.634 0.063 1 258 29 29 CYS H H 8.364 0.015 1 259 29 29 CYS HA H 5.241 0.011 1 260 29 29 CYS HB2 H 2.764 0.008 2 261 29 29 CYS HB3 H 3.339 0.023 2 262 29 29 CYS C C 176.343 0.000 1 263 29 29 CYS CA C 59.315 0.115 1 264 29 29 CYS CB C 34.298 0.031 1 265 29 29 CYS N N 115.759 0.041 1 266 30 30 GLY H H 8.237 0.015 1 267 30 30 GLY HA2 H 3.575 0.005 2 268 30 30 GLY CA C 46.403 0.005 1 269 30 30 GLY N N 112.882 0.018 1 270 31 31 ARG H H 8.285 0.032 1 271 31 31 ARG CA C 56.593 0.000 1 272 31 31 ARG CB C 31.091 0.000 1 273 31 31 ARG N N 122.185 0.033 1 274 32 32 LYS H H 8.229 0.008 1 275 32 32 LYS HA H 4.003 0.004 1 276 32 32 LYS HG2 H 1.340 0.003 2 277 32 32 LYS HG3 H 1.416 0.003 2 278 32 32 LYS C C 176.041 0.000 1 279 32 32 LYS CA C 58.748 0.116 1 280 32 32 LYS CB C 32.196 0.000 1 281 32 32 LYS CG C 24.776 0.026 1 282 32 32 LYS CD C 29.147 0.076 1 283 32 32 LYS CE C 42.271 0.023 1 284 32 32 LYS N N 120.869 0.155 1 285 33 33 ALA H H 8.358 0.009 1 286 33 33 ALA HA H 4.377 0.003 1 287 33 33 ALA HB H 1.037 0.004 1 288 33 33 ALA C C 176.614 0.000 1 289 33 33 ALA CA C 51.462 0.075 1 290 33 33 ALA CB C 21.652 0.042 1 291 33 33 ALA N N 126.096 0.021 1 292 34 34 SER H H 8.292 0.016 1 293 34 34 SER HA H 4.569 0.007 1 294 34 34 SER HB2 H 3.755 0.010 2 295 34 34 SER HB3 H 4.005 0.006 2 296 34 34 SER C C 173.353 0.000 1 297 34 34 SER CA C 58.205 0.022 1 298 34 34 SER CB C 64.837 0.030 1 299 34 34 SER N N 113.347 0.026 1 300 35 35 GLU H H 7.802 0.013 1 301 35 35 GLU HA H 5.072 0.005 1 302 35 35 GLU HB2 H 1.843 0.013 2 303 35 35 GLU HB3 H 2.034 0.012 2 304 35 35 GLU HG2 H 2.106 0.005 2 305 35 35 GLU HG3 H 2.005 0.014 2 306 35 35 GLU C C 175.870 0.000 1 307 35 35 GLU CA C 54.845 0.066 1 308 35 35 GLU CB C 33.295 0.064 1 309 35 35 GLU CG C 35.557 0.089 1 310 35 35 GLU N N 120.556 0.033 1 311 36 36 THR H H 9.108 0.011 1 312 36 36 THR HA H 4.893 0.006 1 313 36 36 THR HB H 3.610 0.006 1 314 36 36 THR HG2 H 0.893 0.005 1 315 36 36 THR C C 173.308 0.000 1 316 36 36 THR CA C 60.973 0.076 1 317 36 36 THR CB C 71.682 0.068 1 318 36 36 THR CG2 C 20.997 0.088 1 319 36 36 THR N N 117.872 0.019 1 320 37 37 CYS H H 8.374 0.011 1 321 37 37 CYS HA H 3.896 0.005 1 322 37 37 CYS HB2 H 2.685 0.008 2 323 37 37 CYS HB3 H 3.255 0.009 2 324 37 37 CYS C C 176.530 0.000 1 325 37 37 CYS CA C 61.298 0.031 1 326 37 37 CYS CB C 31.891 0.070 1 327 37 37 CYS N N 127.410 0.023 1 328 38 38 SER H H 8.013 0.014 1 329 38 38 SER HA H 4.216 0.005 1 330 38 38 SER HB2 H 3.791 0.015 2 331 38 38 SER HB3 H 4.032 0.006 2 332 38 38 SER HG H 6.378 0.008 1 333 38 38 SER C C 174.883 0.000 1 334 38 38 SER CA C 60.657 0.067 1 335 38 38 SER CB C 63.437 0.056 1 336 38 38 SER N N 124.651 0.028 1 337 39 39 GLY H H 9.026 0.013 1 338 39 39 GLY HA2 H 3.747 0.010 2 339 39 39 GLY HA3 H 3.969 0.009 2 340 39 39 GLY C C 174.352 0.000 1 341 39 39 GLY CA C 46.824 0.030 1 342 39 39 GLY N N 114.247 0.020 1 343 40 40 CYS H H 7.056 0.013 1 344 40 40 CYS HA H 4.987 0.006 1 345 40 40 CYS HB2 H 3.324 0.016 2 346 40 40 CYS HB3 H 3.631 0.005 2 347 40 40 CYS C C 176.875 0.000 1 348 40 40 CYS CA C 56.365 0.091 1 349 40 40 CYS CB C 33.620 0.029 1 350 40 40 CYS N N 112.795 0.032 1 351 41 41 ASN H H 8.749 0.011 1 352 41 41 ASN HA H 4.316 0.004 1 353 41 41 ASN HB2 H 2.736 0.007 2 354 41 41 ASN HB3 H 3.009 0.005 2 355 41 41 ASN HD21 H 6.524 0.004 2 356 41 41 ASN HD22 H 7.375 0.006 2 357 41 41 ASN C C 173.563 0.000 1 358 41 41 ASN CA C 55.381 0.059 1 359 41 41 ASN CB C 38.179 0.059 1 360 41 41 ASN N N 123.888 0.030 1 361 41 41 ASN ND2 N 111.517 0.013 1 362 42 42 THR H H 7.934 0.013 1 363 42 42 THR HA H 4.301 0.005 1 364 42 42 THR HB H 4.195 0.005 1 365 42 42 THR HG2 H 1.385 0.004 1 366 42 42 THR C C 172.356 0.000 1 367 42 42 THR CA C 65.121 0.070 1 368 42 42 THR CB C 72.109 0.001 1 369 42 42 THR CG2 C 20.834 0.046 1 370 42 42 THR N N 113.600 0.026 1 371 43 43 ALA H H 6.989 0.013 1 372 43 43 ALA HA H 1.242 0.005 1 373 43 43 ALA HB H 0.003 0.005 1 374 43 43 ALA C C 174.296 0.000 1 375 43 43 ALA CA C 52.605 0.047 1 376 43 43 ALA CB C 19.640 0.044 1 377 43 43 ALA N N 126.156 0.018 1 378 44 44 ARG H H 4.148 0.003 1 379 44 44 ARG HA H 4.730 0.009 1 380 44 44 ARG HB2 H 1.293 0.006 2 381 44 44 ARG HB3 H 1.468 0.004 2 382 44 44 ARG HG2 H 1.478 0.006 2 383 44 44 ARG HD2 H 2.800 0.004 2 384 44 44 ARG HD3 H 2.851 0.002 2 385 44 44 ARG HE H 6.731 0.003 1 386 44 44 ARG C C 173.888 0.000 1 387 44 44 ARG CA C 52.023 0.055 1 388 44 44 ARG CB C 32.059 0.094 1 389 44 44 ARG CG C 26.383 0.058 1 390 44 44 ARG CD C 43.009 0.012 1 391 44 44 ARG N N 117.486 0.017 1 392 44 44 ARG NE N 85.296 0.022 1 393 45 45 TYR H H 8.440 0.014 1 394 45 45 TYR HA H 6.271 0.006 1 395 45 45 TYR HB2 H 2.119 0.007 2 396 45 45 TYR HB3 H 3.367 0.010 2 397 45 45 TYR HD1 H 6.350 0.004 3 398 45 45 TYR HD2 H 7.519 0.003 3 399 45 45 TYR HE1 H 6.134 0.006 3 400 45 45 TYR HE2 H 6.711 0.004 3 401 45 45 TYR HH H 12.455 0.005 1 402 45 45 TYR C C 175.339 0.000 1 403 45 45 TYR CA C 56.217 0.064 1 404 45 45 TYR CB C 44.835 0.058 1 405 45 45 TYR CD1 C 130.161 0.019 3 406 45 45 TYR CD2 C 131.116 0.011 3 407 45 45 TYR CE1 C 116.009 0.089 3 408 45 45 TYR CE2 C 115.796 0.044 3 409 45 45 TYR N N 115.665 0.034 1 410 46 46 CYS H H 9.333 0.014 1 411 46 46 CYS HA H 4.806 0.005 1 412 46 46 CYS HB2 H 2.793 0.012 2 413 46 46 CYS HB3 H 3.287 0.016 2 414 46 46 CYS C C 175.176 0.000 1 415 46 46 CYS CA C 59.906 0.054 1 416 46 46 CYS CB C 30.200 0.047 1 417 46 46 CYS N N 119.321 0.033 1 418 47 47 GLY H H 7.236 0.012 1 419 47 47 GLY HA2 H 3.864 0.006 2 420 47 47 GLY HA3 H 4.389 0.007 2 421 47 47 GLY C C 172.661 0.000 1 422 47 47 GLY CA C 44.896 0.057 1 423 47 47 GLY N N 107.296 0.017 1 424 48 48 SER H H 8.712 0.013 1 425 48 48 SER HA H 4.163 0.005 1 426 48 48 SER HB2 H 3.846 0.008 2 427 48 48 SER C C 176.545 0.000 1 428 48 48 SER CA C 61.208 0.053 1 429 48 48 SER CB C 63.180 0.072 1 430 48 48 SER N N 114.539 0.033 1 431 49 49 PHE H H 8.740 0.001 1 432 49 49 PHE HA H 4.064 0.009 1 433 49 49 PHE HB2 H 3.125 0.001 2 434 49 49 PHE HB3 H 3.185 0.002 2 435 49 49 PHE HD1 H 7.157 0.002 3 436 49 49 PHE HE1 H 7.165 0.000 3 437 49 49 PHE C C 178.802 0.000 1 438 49 49 PHE CA C 62.617 0.051 1 439 49 49 PHE CB C 38.406 0.046 1 440 49 49 PHE N N 125.846 0.012 1 441 50 50 CYS H H 8.860 0.008 1 442 50 50 CYS HA H 4.020 0.006 1 443 50 50 CYS HB2 H 2.972 0.006 2 444 50 50 CYS HB3 H 3.100 0.010 2 445 50 50 CYS C C 176.845 0.000 1 446 50 50 CYS CA C 65.770 0.100 1 447 50 50 CYS CB C 31.913 0.042 1 448 50 50 CYS N N 120.918 0.017 1 449 51 51 GLN H H 7.431 0.013 1 450 51 51 GLN HA H 1.885 0.007 1 451 51 51 GLN HB2 H 1.083 0.008 2 452 51 51 GLN HB3 H 1.277 0.005 2 453 51 51 GLN HG2 H 2.076 0.008 2 454 51 51 GLN HG3 H 2.198 0.009 2 455 51 51 GLN HE21 H 7.238 0.003 2 456 51 51 GLN HE22 H 8.172 0.005 2 457 51 51 GLN C C 179.156 0.000 1 458 51 51 GLN CA C 58.599 0.072 1 459 51 51 GLN CB C 27.651 0.000 1 460 51 51 GLN CG C 32.305 0.042 1 461 51 51 GLN N N 117.797 0.025 1 462 51 51 GLN NE2 N 112.436 0.061 1 463 52 52 HIS H H 8.385 0.013 1 464 52 52 HIS HA H 3.842 0.010 1 465 52 52 HIS HB2 H 3.046 0.005 2 466 52 52 HIS HD2 H 6.919 0.007 1 467 52 52 HIS HE1 H 7.709 0.002 1 468 52 52 HIS C C 178.172 0.000 1 469 52 52 HIS CA C 60.737 0.048 1 470 52 52 HIS CB C 29.221 0.049 1 471 52 52 HIS CD2 C 118.3 0.069 1 472 52 52 HIS CE1 C 135.32 0.037 1 473 52 52 HIS N N 118.255 0.033 1 474 53 53 LYS H H 8.165 0.012 1 475 53 53 LYS HA H 4.023 0.005 1 476 53 53 LYS HB2 H 1.801 0.010 2 477 53 53 LYS HB3 H 1.899 0.013 2 478 53 53 LYS HG2 H 1.485 0.001 2 479 53 53 LYS HG3 H 1.543 0.004 2 480 53 53 LYS HD2 H 1.637 0.009 2 481 53 53 LYS HD3 H 1.774 0.010 2 482 53 53 LYS HE2 H 3.071 0.004 2 483 53 53 LYS HE3 H 3.170 0.008 2 484 53 53 LYS C C 178.478 0.000 1 485 53 53 LYS CA C 57.998 0.058 1 486 53 53 LYS CB C 31.560 0.048 1 487 53 53 LYS CG C 23.995 0.038 1 488 53 53 LYS CD C 28.065 0.071 1 489 53 53 LYS N N 121.681 0.017 1 490 54 54 ASP H H 7.665 0.013 1 491 54 54 ASP HA H 5.082 0.006 1 492 54 54 ASP HB2 H 2.613 0.007 2 493 54 54 ASP HB3 H 2.845 0.006 2 494 54 54 ASP C C 176.952 0.000 1 495 54 54 ASP CA C 54.755 0.058 1 496 54 54 ASP CB C 43.790 0.071 1 497 54 54 ASP N N 115.225 0.025 1 498 55 55 TRP H H 7.676 0.014 1 499 55 55 TRP HA H 5.047 0.007 1 500 55 55 TRP HB2 H 3.279 0.000 2 501 55 55 TRP HB3 H 3.357 0.000 2 502 55 55 TRP HD1 H 7.100 0.004 1 503 55 55 TRP HE1 H 9.493 0.012 1 504 55 55 TRP HE3 H 8.167 0.005 1 505 55 55 TRP HZ2 H 7.150 0.005 1 506 55 55 TRP HZ3 H 7.222 0.012 1 507 55 55 TRP HH2 H 7.219 0.012 1 508 55 55 TRP CA C 59.658 0.047 1 509 55 55 TRP CB C 30.631 0.060 1 510 55 55 TRP CD1 C 125.221 0.042 1 511 55 55 TRP CE3 C 119.669 0.000 1 512 55 55 TRP CZ2 C 112.937 0.044 1 513 55 55 TRP CZ3 C 119.718 0.006 1 514 55 55 TRP CH2 C 122.359 0.042 1 515 55 55 TRP N N 122.016 0.028 1 516 55 55 TRP NE1 N 127.942 0.018 1 517 56 56 GLU H H 8.281 0.005 1 518 56 56 GLU HA H 3.819 0.006 1 519 56 56 GLU HB2 H 2.122 0.005 2 520 56 56 GLU HB3 H 2.190 0.002 2 521 56 56 GLU HG2 H 2.327 0.007 2 522 56 56 GLU C C 177.430 0.000 1 523 56 56 GLU CA C 60.137 0.054 1 524 56 56 GLU CB C 29.087 0.112 1 525 56 56 GLU CG C 36.233 0.048 1 526 56 56 GLU N N 118.949 0.044 1 527 57 57 LYS H H 7.653 0.009 1 528 57 57 LYS HA H 4.380 0.004 1 529 57 57 LYS HB2 H 1.893 0.013 2 530 57 57 LYS HB3 H 2.048 0.005 2 531 57 57 LYS HG2 H 1.522 0.002 2 532 57 57 LYS HG3 H 1.594 0.006 2 533 57 57 LYS HD2 H 1.886 0.004 2 534 57 57 LYS HE2 H 3.132 0.005 2 535 57 57 LYS C C 179.121 0.000 1 536 57 57 LYS CA C 58.281 0.045 1 537 57 57 LYS CB C 33.485 0.048 1 538 57 57 LYS CG C 25.102 0.043 1 539 57 57 LYS CD C 29.350 0.043 1 540 57 57 LYS CE C 42.221 0.091 1 541 57 57 LYS N N 116.679 0.027 1 542 58 58 HIS H H 9.431 0.008 1 543 58 58 HIS HA H 4.557 0.008 1 544 58 58 HIS HB2 H 3.345 0.005 2 545 58 58 HIS HB3 H 3.539 0.006 2 546 58 58 HIS HD1 H 13.051 0.001 1 547 58 58 HIS HE1 H 8.024 0.003 1 548 58 58 HIS C C 177.549 0.000 1 549 58 58 HIS CA C 58.870 0.110 1 550 58 58 HIS CB C 30.147 0.071 1 551 58 58 HIS CE1 C 137.173 0.040 1 552 58 58 HIS N N 119.810 0.016 1 553 59 59 HIS H H 8.537 0.009 1 554 59 59 HIS HA H 3.151 0.006 1 555 59 59 HIS HB2 H 0.774 0.007 2 556 59 59 HIS HB3 H 1.895 0.007 2 557 59 59 HIS HD2 H 6.637 0.004 1 558 59 59 HIS HE1 H 7.782 0.006 1 559 59 59 HIS C C 175.278 0.000 1 560 59 59 HIS CA C 58.690 0.075 1 561 59 59 HIS CB C 25.853 0.073 1 562 59 59 HIS CD2 C 119.6 0.042 1 563 59 59 HIS CE1 C 135.049 0.020 1 564 59 59 HIS N N 114.957 0.026 1 565 60 60 HIS H H 6.421 0.014 1 566 60 60 HIS HA H 3.884 0.005 1 567 60 60 HIS HB2 H 2.753 0.004 2 568 60 60 HIS HB3 H 2.964 0.004 2 569 60 60 HIS HD2 H 7.040 0.005 1 570 60 60 HIS HE1 H 7.891 0.001 1 571 60 60 HIS C C 175.943 0.000 1 572 60 60 HIS CA C 58.342 0.063 1 573 60 60 HIS CB C 30.699 0.061 1 574 60 60 HIS CD2 C 117.791 0.042 1 575 60 60 HIS CE1 C 136.269 0.012 1 576 60 60 HIS N N 114.530 0.025 1 577 61 61 ILE H H 7.174 0.013 1 578 61 61 ILE HA H 4.431 0.003 1 579 61 61 ILE HB H 2.046 0.006 1 580 61 61 ILE HG12 H 1.198 0.007 1 581 61 61 ILE HG13 H 1.291 0.002 1 582 61 61 ILE HG2 H 0.886 0.012 1 583 61 61 ILE HD1 H 1.074 0.007 1 584 61 61 ILE C C 175.230 0.000 1 585 61 61 ILE CA C 60.293 0.041 1 586 61 61 ILE CB C 39.999 0.053 1 587 61 61 ILE CG1 C 26.970 0.033 1 588 61 61 ILE CG2 C 18.047 0.055 1 589 61 61 ILE CD1 C 14.337 0.087 1 590 61 61 ILE N N 110.683 0.026 1 591 62 62 CYS H H 7.086 0.013 1 592 62 62 CYS HA H 3.715 0.005 1 593 62 62 CYS HB2 H 1.806 0.004 2 594 62 62 CYS HB3 H 2.508 0.004 2 595 62 62 CYS C C 175.959 0.000 1 596 62 62 CYS CA C 62.158 0.050 1 597 62 62 CYS CB C 29.477 0.027 1 598 62 62 CYS N N 125.719 0.011 1 599 63 63 GLY H H 8.178 0.011 1 600 63 63 GLY HA2 H 3.926 0.004 2 601 63 63 GLY HA3 H 4.155 0.003 2 602 63 63 GLY C C 174.679 0.000 1 603 63 63 GLY CA C 45.809 0.025 1 604 63 63 GLY N N 113.735 0.024 1 605 64 64 GLN H H 8.117 0.014 1 606 64 64 GLN HA H 4.391 0.004 1 607 64 64 GLN HB2 H 1.957 0.000 2 608 64 64 GLN HB3 H 2.174 0.000 2 609 64 64 GLN HG2 H 2.167 0.000 2 610 64 64 GLN C C 176.400 0.000 1 611 64 64 GLN CA C 56.249 0.000 1 612 64 64 GLN CB C 29.468 0.000 1 613 64 64 GLN CG C 33.835 0.000 1 614 64 64 GLN N N 119.075 0.018 1 615 65 65 THR H H 8.175 0.015 1 616 65 65 THR HA H 4.306 0.002 1 617 65 65 THR HB H 4.233 0.002 1 618 65 65 THR HG2 H 1.210 0.007 1 619 65 65 THR CA C 62.573 0.000 1 620 65 65 THR CB C 69.678 0.000 1 621 65 65 THR CG2 C 21.736 0.024 1 622 65 65 THR N N 114.604 0.014 1 623 66 66 LEU H H 8.115 0.014 1 624 66 66 LEU HA H 4.367 0.000 1 625 66 66 LEU HB2 H 1.645 0.002 2 626 66 66 LEU CA C 55.497 0.000 1 627 66 66 LEU CB C 42.406 0.009 1 628 66 66 LEU N N 124.452 0.018 1 629 67 67 GLN H H 8.244 0.002 1 630 67 67 GLN HA H 4.304 0.000 1 631 67 67 GLN HB2 H 2.351 0.000 2 632 67 67 GLN CA C 55.819 0.000 1 633 67 67 GLN CB C 29.576 0.000 1 634 67 67 GLN CG C 33.926 0.000 1 635 67 67 GLN N N 121.036 0.013 1 636 68 68 ALA H H 8.221 0.013 1 637 68 68 ALA HA H 4.290 0.000 1 638 68 68 ALA HB H 1.376 0.001 1 639 68 68 ALA CA C 52.559 0.000 1 640 68 68 ALA CB C 19.339 0.000 1 641 68 68 ALA N N 125.087 0.008 1 642 69 69 GLN H H 8.278 0.013 1 643 69 69 GLN HA H 4.294 0.000 1 644 69 69 GLN HB2 H 2.357 0.000 2 645 69 69 GLN CA C 55.901 0.000 1 646 69 69 GLN CB C 29.628 0.000 1 647 69 69 GLN N N 120.023 0.004 1 648 70 70 GLN H H 7.972 0.014 1 649 70 70 GLN CA C 57.389 0.000 1 650 70 70 GLN CB C 30.491 0.000 1 651 70 70 GLN N N 126.788 0.005 1 stop_ save_