data_10213 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the GUCT domain from human ATP-dependent RNA helicase DDX50, DEAD box protein 50 ; _BMRB_accession_number 10213 _BMRB_flat_file_name bmr10213.str _Entry_type new _Submission_date 2008-04-09 _Accession_date 2008-04-10 _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 Ohnishi S. . . 2 Paakkonen K. . . 3 Guntert P. . . 4 Sato M. . . 5 Koshiba S. . . 6 Harada T. . . 7 Watanabe S. . . 8 Kigawa T. . . 9 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 501 "13C chemical shifts" 387 "15N chemical shifts" 88 "residual dipolar couplings" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-16 update BMRB 'complete entry citation' 2008-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the GUCT domain from human RNA helicase II/Gubeta reveals the RRM fold, but implausible RNA interactions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18615715 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohnishi Satoshi . . 2 Paakkonen Kimmo . . 3 Koshiba Seizo . . 4 Tochio Naoya . . 5 Sato Manami . . 6 Kobayashi Naohiro . . 7 Harada Takushi . . 8 Watanabe Satoru . . 9 Muto Yutaka . . 10 Guntert Peter . . 11 Tanaka Akiko . . 12 Kigawa Takanori . . 13 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 74 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 133 _Page_last 144 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ATP-dependent RNA helicase DDX50 (E.C.3.6.1.-)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GUCT domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'GUCT domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GSSGSSGFEPRSLITSDKGF VTMTLESLEEIQDVSCAWKE LNRKLSSNAVSQITRMCLLK GNMGVCFDVPTTESERLQAE WHDSDWILSVPA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PHE 9 GLU 10 PRO 11 ARG 12 SER 13 LEU 14 ILE 15 THR 16 SER 17 ASP 18 LYS 19 GLY 20 PHE 21 VAL 22 THR 23 MET 24 THR 25 LEU 26 GLU 27 SER 28 LEU 29 GLU 30 GLU 31 ILE 32 GLN 33 ASP 34 VAL 35 SER 36 CYS 37 ALA 38 TRP 39 LYS 40 GLU 41 LEU 42 ASN 43 ARG 44 LYS 45 LEU 46 SER 47 SER 48 ASN 49 ALA 50 VAL 51 SER 52 GLN 53 ILE 54 THR 55 ARG 56 MET 57 CYS 58 LEU 59 LEU 60 LYS 61 GLY 62 ASN 63 MET 64 GLY 65 VAL 66 CYS 67 PHE 68 ASP 69 VAL 70 PRO 71 THR 72 THR 73 GLU 74 SER 75 GLU 76 ARG 77 LEU 78 GLN 79 ALA 80 GLU 81 TRP 82 HIS 83 ASP 84 SER 85 ASP 86 TRP 87 ILE 88 LEU 89 SER 90 VAL 91 PRO 92 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2E29 "Solution Structure Of The Guct Domain From Human Atp- Dependent Rna Helicase Ddx50, Dead Box Protein 50" 100.00 92 100.00 100.00 1.60e-59 DBJ BAG57047 "unnamed protein product [Homo sapiens]" 80.43 643 97.30 98.65 1.03e-40 DBJ BAG62959 "unnamed protein product [Homo sapiens]" 97.83 711 97.78 98.89 2.09e-53 EMBL CAB70733 "hypothetical protein [Homo sapiens]" 97.83 399 97.78 98.89 5.16e-55 GB AAH00210 "DDX50 protein, partial [Homo sapiens]" 97.83 467 97.78 98.89 2.71e-54 GB AAH00272 "DEAD (Asp-Glu-Ala-Asp) box polypeptide 50 [Homo sapiens]" 97.83 737 97.78 98.89 2.30e-53 GB AAH18637 "DDX50 protein, partial [Homo sapiens]" 97.83 423 97.78 98.89 1.20e-54 GB AAK29402 "nucleolar protein GU2 [Homo sapiens]" 97.83 737 97.78 98.89 2.30e-53 GB ABM83473 "DEAD (Asp-Glu-Ala-Asp) box polypeptide 50 [synthetic construct]" 97.83 737 97.78 98.89 2.30e-53 REF NP_001245111 "ATP-dependent RNA helicase DDX50 [Macaca mulatta]" 97.83 737 97.78 98.89 2.30e-53 REF NP_076950 "ATP-dependent RNA helicase DDX50 [Homo sapiens]" 97.83 737 97.78 98.89 2.30e-53 REF XP_002756344 "PREDICTED: ATP-dependent RNA helicase DDX50 isoform X1 [Callithrix jacchus]" 97.83 737 97.78 98.89 2.30e-53 REF XP_002820928 "PREDICTED: ATP-dependent RNA helicase DDX50 isoform X1 [Pongo abelii]" 97.83 737 97.78 98.89 2.30e-53 REF XP_003258245 "PREDICTED: ATP-dependent RNA helicase DDX50 isoform X1 [Nomascus leucogenys]" 97.83 737 97.78 98.89 2.37e-53 SP Q9BQ39 "RecName: Full=ATP-dependent RNA helicase DDX50; AltName: Full=DEAD box protein 50; AltName: Full=Gu-beta; AltName: Full=Nucleol" 97.83 737 97.78 98.89 2.30e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'Cell free synthesis' . . . . plasmid P060403-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM '[U-13C; U-15N]' d-TrisHCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, R.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'GUCT domain' _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 6 6 SER CA C 58.720 0.300 1 2 6 6 SER HA H 4.456 0.030 1 3 6 6 SER CB C 63.880 0.300 1 4 6 6 SER HB2 H 3.888 0.030 1 5 6 6 SER HB3 H 3.888 0.030 1 6 6 6 SER C C 174.951 0.300 1 7 7 7 GLY N N 110.558 0.300 1 8 7 7 GLY H H 8.377 0.030 1 9 7 7 GLY CA C 45.205 0.300 1 10 7 7 GLY HA2 H 3.879 0.030 2 11 7 7 GLY HA3 H 3.910 0.030 2 12 7 7 GLY C C 173.615 0.300 1 13 8 8 PHE N N 119.857 0.300 1 14 8 8 PHE H H 8.062 0.030 1 15 8 8 PHE CA C 57.418 0.300 1 16 8 8 PHE HA H 4.624 0.030 1 17 8 8 PHE CB C 39.749 0.300 1 18 8 8 PHE HB2 H 2.978 0.030 2 19 8 8 PHE HB3 H 3.079 0.030 2 20 8 8 PHE CD1 C 131.623 0.300 1 21 8 8 PHE HD1 H 7.194 0.030 1 22 8 8 PHE CD2 C 131.623 0.300 1 23 8 8 PHE HD2 H 7.194 0.030 1 24 8 8 PHE CE1 C 131.610 0.300 1 25 8 8 PHE HE1 H 7.319 0.030 1 26 8 8 PHE CE2 C 131.610 0.300 1 27 8 8 PHE HE2 H 7.319 0.030 1 28 8 8 PHE CZ C 129.756 0.300 1 29 8 8 PHE HZ H 7.281 0.030 1 30 8 8 PHE C C 175.242 0.300 1 31 9 9 GLU N N 124.807 0.300 1 32 9 9 GLU H H 8.311 0.030 1 33 9 9 GLU CA C 54.034 0.300 1 34 9 9 GLU HA H 4.546 0.030 1 35 9 9 GLU CB C 29.859 0.300 1 36 9 9 GLU HB2 H 1.838 0.030 2 37 9 9 GLU HB3 H 1.959 0.030 2 38 9 9 GLU CG C 35.988 0.300 1 39 9 9 GLU HG2 H 2.221 0.030 2 40 9 9 GLU C C 174.125 0.300 1 41 10 10 PRO CA C 63.366 0.300 1 42 10 10 PRO HA H 4.334 0.030 1 43 10 10 PRO CB C 32.033 0.300 1 44 10 10 PRO HB2 H 1.907 0.030 2 45 10 10 PRO HB3 H 2.289 0.030 2 46 10 10 PRO CG C 27.390 0.300 1 47 10 10 PRO HG2 H 1.989 0.030 2 48 10 10 PRO HG3 H 2.009 0.030 2 49 10 10 PRO CD C 50.713 0.300 1 50 10 10 PRO HD2 H 3.669 0.030 1 51 10 10 PRO HD3 H 3.669 0.030 1 52 10 10 PRO C C 177.062 0.300 1 53 11 11 ARG N N 120.726 0.300 1 54 11 11 ARG H H 8.477 0.030 1 55 11 11 ARG CA C 56.175 0.300 1 56 11 11 ARG HA H 4.318 0.030 1 57 11 11 ARG CB C 30.831 0.300 1 58 11 11 ARG HB2 H 1.841 0.030 2 59 11 11 ARG HB3 H 1.760 0.030 2 60 11 11 ARG CG C 26.966 0.300 1 61 11 11 ARG HG2 H 1.656 0.030 2 62 11 11 ARG HG3 H 1.616 0.030 2 63 11 11 ARG CD C 43.357 0.300 1 64 11 11 ARG HD2 H 3.184 0.030 1 65 11 11 ARG HD3 H 3.184 0.030 1 66 11 11 ARG C C 176.455 0.300 1 67 12 12 SER N N 116.599 0.300 1 68 12 12 SER H H 8.289 0.030 1 69 12 12 SER CA C 58.330 0.300 1 70 12 12 SER HA H 4.396 0.030 1 71 12 12 SER CB C 63.633 0.300 1 72 12 12 SER HB2 H 3.831 0.030 1 73 12 12 SER HB3 H 3.831 0.030 1 74 12 12 SER C C 174.465 0.300 1 75 13 13 LEU N N 124.186 0.300 1 76 13 13 LEU H H 8.275 0.030 1 77 13 13 LEU CA C 55.306 0.300 1 78 13 13 LEU HA H 4.361 0.030 1 79 13 13 LEU CB C 42.350 0.300 1 80 13 13 LEU HB2 H 1.615 0.030 1 81 13 13 LEU HB3 H 1.615 0.030 1 82 13 13 LEU CG C 27.117 0.300 1 83 13 13 LEU HG H 1.619 0.030 1 84 13 13 LEU CD1 C 24.957 0.300 2 85 13 13 LEU HD1 H 0.903 0.030 1 86 13 13 LEU CD2 C 23.458 0.300 2 87 13 13 LEU HD2 H 0.844 0.030 1 88 13 13 LEU C C 177.184 0.300 1 89 14 14 ILE N N 121.445 0.300 1 90 14 14 ILE H H 8.106 0.030 1 91 14 14 ILE CA C 61.248 0.300 1 92 14 14 ILE HA H 4.202 0.030 1 93 14 14 ILE CB C 38.555 0.300 1 94 14 14 ILE HB H 1.861 0.030 1 95 14 14 ILE CG1 C 27.296 0.300 1 96 14 14 ILE HG12 H 1.470 0.030 2 97 14 14 ILE HG13 H 1.167 0.030 2 98 14 14 ILE CG2 C 17.564 0.300 1 99 14 14 ILE HG2 H 0.894 0.030 1 100 14 14 ILE CD1 C 12.822 0.300 1 101 14 14 ILE HD1 H 0.834 0.030 1 102 14 14 ILE C C 176.528 0.300 1 103 15 15 THR N N 118.053 0.300 1 104 15 15 THR H H 8.226 0.030 1 105 15 15 THR CA C 61.573 0.300 1 106 15 15 THR HA H 4.401 0.030 1 107 15 15 THR CB C 69.795 0.300 1 108 15 15 THR HB H 4.242 0.030 1 109 15 15 THR CG2 C 21.558 0.300 1 110 15 15 THR HG2 H 1.178 0.030 1 111 15 15 THR C C 174.538 0.300 1 112 16 16 SER N N 117.877 0.300 1 113 16 16 SER H H 8.272 0.030 1 114 16 16 SER CA C 55.830 0.300 1 115 16 16 SER HA H 4.448 0.030 1 116 16 16 SER CB C 63.880 0.300 1 117 16 16 SER HB2 H 3.843 0.030 1 118 16 16 SER HB3 H 3.843 0.030 1 119 16 16 SER C C 174.247 0.300 1 120 17 17 ASP N N 122.892 0.300 1 121 17 17 ASP H H 8.425 0.030 1 122 17 17 ASP CA C 54.461 0.300 1 123 17 17 ASP HA H 4.611 0.030 1 124 17 17 ASP CB C 41.340 0.300 1 125 17 17 ASP HB2 H 2.630 0.030 2 126 17 17 ASP HB3 H 2.705 0.030 2 127 17 17 ASP C C 176.358 0.300 1 128 18 18 LYS N N 121.459 0.300 1 129 18 18 LYS H H 8.349 0.030 1 130 18 18 LYS CA C 56.526 0.300 1 131 18 18 LYS HA H 4.356 0.030 1 132 18 18 LYS CB C 32.744 0.300 1 133 18 18 LYS HB2 H 1.904 0.030 2 134 18 18 LYS HB3 H 1.777 0.030 2 135 18 18 LYS CG C 24.720 0.300 1 136 18 18 LYS HG2 H 1.411 0.030 2 137 18 18 LYS HG3 H 1.459 0.030 2 138 18 18 LYS CD C 29.046 0.300 1 139 18 18 LYS HD2 H 1.667 0.030 2 140 18 18 LYS CE C 42.109 0.300 1 141 18 18 LYS HE2 H 2.970 0.030 2 142 18 18 LYS C C 177.305 0.300 1 143 19 19 GLY N N 109.072 0.300 1 144 19 19 GLY H H 8.533 0.030 1 145 19 19 GLY CA C 45.451 0.300 1 146 19 19 GLY HA2 H 3.884 0.030 2 147 19 19 GLY HA3 H 3.960 0.030 2 148 19 19 GLY C C 174.028 0.300 1 149 20 20 PHE N N 119.395 0.300 1 150 20 20 PHE H H 8.014 0.030 1 151 20 20 PHE CA C 56.992 0.300 1 152 20 20 PHE HA H 5.166 0.030 1 153 20 20 PHE CB C 43.122 0.300 1 154 20 20 PHE HB2 H 2.774 0.030 1 155 20 20 PHE HB3 H 2.774 0.030 1 156 20 20 PHE CD1 C 131.663 0.300 1 157 20 20 PHE HD1 H 6.948 0.030 1 158 20 20 PHE CD2 C 131.663 0.300 1 159 20 20 PHE HD2 H 6.948 0.030 1 160 20 20 PHE CE1 C 131.614 0.300 1 161 20 20 PHE HE1 H 7.376 0.030 1 162 20 20 PHE CE2 C 131.614 0.300 1 163 20 20 PHE HE2 H 7.376 0.030 1 164 20 20 PHE CZ C 129.764 0.300 1 165 20 20 PHE HZ H 7.355 0.030 1 166 20 20 PHE C C 174.247 0.300 1 167 21 21 VAL N N 119.613 0.300 1 168 21 21 VAL H H 9.282 0.030 1 169 21 21 VAL CA C 60.286 0.300 1 170 21 21 VAL HA H 4.403 0.030 1 171 21 21 VAL CB C 35.624 0.300 1 172 21 21 VAL HB H 1.906 0.030 1 173 21 21 VAL CG1 C 21.302 0.300 2 174 21 21 VAL HG1 H 0.919 0.030 1 175 21 21 VAL CG2 C 21.484 0.300 2 176 21 21 VAL HG2 H 0.966 0.030 1 177 21 21 VAL C C 174.077 0.300 1 178 22 22 THR N N 123.150 0.300 1 179 22 22 THR H H 8.226 0.030 1 180 22 22 THR CA C 61.672 0.300 1 181 22 22 THR HA H 5.214 0.030 1 182 22 22 THR CB C 69.636 0.300 1 183 22 22 THR HB H 3.700 0.030 1 184 22 22 THR CG2 C 22.184 0.300 1 185 22 22 THR HG2 H 1.081 0.030 1 186 22 22 THR C C 174.319 0.300 1 187 23 23 MET N N 125.701 0.300 1 188 23 23 MET H H 9.254 0.030 1 189 23 23 MET CA C 54.250 0.300 1 190 23 23 MET HA H 4.680 0.030 1 191 23 23 MET CB C 34.967 0.300 1 192 23 23 MET HB2 H 0.700 0.030 2 193 23 23 MET HB3 H 1.588 0.030 2 194 23 23 MET CG C 33.524 0.300 1 195 23 23 MET HG2 H 2.099 0.030 2 196 23 23 MET HG3 H 2.318 0.030 2 197 23 23 MET CE C 18.049 0.300 1 198 23 23 MET HE H 1.886 0.030 1 199 23 23 MET C C 174.028 0.300 1 200 24 24 THR N N 109.251 0.300 1 201 24 24 THR H H 8.410 0.030 1 202 24 24 THR CA C 59.952 0.300 1 203 24 24 THR HA H 4.838 0.030 1 204 24 24 THR CB C 71.427 0.300 1 205 24 24 THR HB H 3.923 0.030 1 206 24 24 THR CG2 C 21.833 0.300 1 207 24 24 THR HG2 H 0.967 0.030 1 208 24 24 THR C C 172.353 0.300 1 209 25 25 LEU N N 125.384 0.300 1 210 25 25 LEU H H 8.901 0.030 1 211 25 25 LEU CA C 53.373 0.300 1 212 25 25 LEU HA H 5.333 0.030 1 213 25 25 LEU CB C 45.607 0.300 1 214 25 25 LEU HB2 H 2.009 0.030 2 215 25 25 LEU HB3 H 1.008 0.030 2 216 25 25 LEU CG C 27.412 0.300 1 217 25 25 LEU HG H 1.678 0.030 1 218 25 25 LEU CD1 C 24.560 0.300 2 219 25 25 LEU HD1 H 0.344 0.030 1 220 25 25 LEU CD2 C 25.299 0.300 2 221 25 25 LEU HD2 H 0.250 0.030 1 222 25 25 LEU C C 175.606 0.300 1 223 26 26 GLU N N 125.482 0.300 1 224 26 26 GLU H H 9.147 0.030 1 225 26 26 GLU CA C 56.010 0.300 1 226 26 26 GLU HA H 4.922 0.030 1 227 26 26 GLU CB C 33.588 0.300 1 228 26 26 GLU HB2 H 1.900 0.030 2 229 26 26 GLU HB3 H 2.114 0.030 2 230 26 26 GLU CG C 37.368 0.300 1 231 26 26 GLU HG2 H 2.041 0.030 2 232 26 26 GLU HG3 H 2.190 0.030 2 233 26 26 GLU C C 175.387 0.300 1 234 27 27 SER N N 118.827 0.300 1 235 27 27 SER H H 8.432 0.030 1 236 27 27 SER CA C 55.236 0.300 1 237 27 27 SER HA H 3.720 0.030 1 238 27 27 SER CB C 63.703 0.300 1 239 27 27 SER HB2 H 2.200 0.030 2 240 27 27 SER HB3 H 2.612 0.030 2 241 27 27 SER C C 173.980 0.300 1 242 28 28 LEU N N 121.319 0.300 1 243 28 28 LEU H H 7.990 0.030 1 244 28 28 LEU CA C 55.887 0.300 1 245 28 28 LEU HA H 4.071 0.030 1 246 28 28 LEU CB C 42.184 0.300 1 247 28 28 LEU HB2 H 1.476 0.030 2 248 28 28 LEU HB3 H 1.561 0.030 2 249 28 28 LEU CG C 26.757 0.300 1 250 28 28 LEU HG H 1.643 0.030 1 251 28 28 LEU CD1 C 25.347 0.300 2 252 28 28 LEU HD1 H 0.882 0.030 1 253 28 28 LEU CD2 C 22.667 0.300 2 254 28 28 LEU HD2 H 0.808 0.030 1 255 28 28 LEU C C 177.159 0.300 1 256 29 29 GLU N N 115.740 0.300 1 257 29 29 GLU H H 7.458 0.030 1 258 29 29 GLU CA C 53.658 0.300 1 259 29 29 GLU HA H 4.444 0.030 1 260 29 29 GLU CB C 33.209 0.300 1 261 29 29 GLU HB2 H 1.691 0.030 2 262 29 29 GLU HB3 H 1.935 0.030 2 263 29 29 GLU CG C 35.731 0.300 1 264 29 29 GLU HG2 H 2.055 0.030 1 265 29 29 GLU HG3 H 2.055 0.030 1 266 29 29 GLU C C 174.417 0.300 1 267 30 30 GLU N N 122.052 0.300 1 268 30 30 GLU H H 8.500 0.030 1 269 30 30 GLU CA C 57.621 0.300 1 270 30 30 GLU HA H 4.297 0.030 1 271 30 30 GLU CB C 30.403 0.300 1 272 30 30 GLU HB2 H 1.903 0.030 2 273 30 30 GLU HB3 H 1.816 0.030 2 274 30 30 GLU CG C 36.701 0.300 1 275 30 30 GLU HG2 H 2.205 0.030 2 276 30 30 GLU HG3 H 2.361 0.030 2 277 30 30 GLU C C 177.087 0.300 1 278 31 31 ILE N N 120.377 0.300 1 279 31 31 ILE H H 8.828 0.030 1 280 31 31 ILE CA C 59.741 0.300 1 281 31 31 ILE HA H 4.680 0.030 1 282 31 31 ILE CB C 40.845 0.300 1 283 31 31 ILE HB H 2.061 0.030 1 284 31 31 ILE CG1 C 25.292 0.300 1 285 31 31 ILE HG12 H 1.045 0.030 2 286 31 31 ILE HG13 H 1.349 0.030 2 287 31 31 ILE CG2 C 18.288 0.300 1 288 31 31 ILE HG2 H 0.951 0.030 1 289 31 31 ILE CD1 C 14.135 0.300 1 290 31 31 ILE HD1 H 0.851 0.030 1 291 31 31 ILE C C 175.776 0.300 1 292 32 32 GLN N N 119.444 0.300 1 293 32 32 GLN H H 8.668 0.030 1 294 32 32 GLN CA C 57.277 0.300 1 295 32 32 GLN HA H 4.302 0.030 1 296 32 32 GLN CB C 30.079 0.300 1 297 32 32 GLN HB2 H 2.015 0.030 2 298 32 32 GLN HB3 H 2.164 0.030 2 299 32 32 GLN CG C 34.109 0.300 1 300 32 32 GLN HG2 H 2.411 0.030 1 301 32 32 GLN HG3 H 2.411 0.030 1 302 32 32 GLN NE2 N 112.800 0.300 1 303 32 32 GLN HE21 H 7.599 0.030 2 304 32 32 GLN HE22 H 6.804 0.030 2 305 32 32 GLN C C 175.824 0.300 1 306 33 33 ASP N N 113.908 0.300 1 307 33 33 ASP H H 7.684 0.030 1 308 33 33 ASP CA C 53.441 0.300 1 309 33 33 ASP HA H 4.754 0.030 1 310 33 33 ASP CB C 43.727 0.300 1 311 33 33 ASP HB2 H 2.985 0.030 1 312 33 33 ASP HB3 H 2.985 0.030 1 313 33 33 ASP C C 175.824 0.300 1 314 34 34 VAL N N 114.196 0.300 1 315 34 34 VAL H H 8.640 0.030 1 316 34 34 VAL CA C 64.836 0.300 1 317 34 34 VAL HA H 3.910 0.030 1 318 34 34 VAL CB C 31.539 0.300 1 319 34 34 VAL HB H 2.429 0.030 1 320 34 34 VAL CG1 C 21.838 0.300 2 321 34 34 VAL HG1 H 1.018 0.030 1 322 34 34 VAL CG2 C 18.776 0.300 2 323 34 34 VAL HG2 H 1.147 0.030 1 324 34 34 VAL C C 177.669 0.300 1 325 35 35 SER N N 120.001 0.300 1 326 35 35 SER H H 9.274 0.030 1 327 35 35 SER CA C 62.276 0.300 1 328 35 35 SER HA H 4.448 0.030 1 329 35 35 SER CB C 62.255 0.300 1 330 35 35 SER HB2 H 4.067 0.030 2 331 35 35 SER HB3 H 4.122 0.030 2 332 35 35 SER C C 177.305 0.300 1 333 36 36 CYS N N 120.840 0.300 1 334 36 36 CYS H H 7.894 0.030 1 335 36 36 CYS CA C 62.416 0.300 1 336 36 36 CYS HA H 4.310 0.030 1 337 36 36 CYS CB C 28.189 0.300 1 338 36 36 CYS HB2 H 3.479 0.030 2 339 36 36 CYS HB3 H 3.224 0.030 2 340 36 36 CYS C C 177.257 0.300 1 341 37 37 ALA N N 122.247 0.300 1 342 37 37 ALA H H 7.343 0.030 1 343 37 37 ALA CA C 54.145 0.300 1 344 37 37 ALA HA H 3.546 0.030 1 345 37 37 ALA CB C 20.009 0.300 1 346 37 37 ALA HB H 1.218 0.030 1 347 37 37 ALA C C 178.883 0.300 1 348 38 38 TRP N N 117.352 0.300 1 349 38 38 TRP H H 7.937 0.030 1 350 38 38 TRP CA C 60.600 0.300 1 351 38 38 TRP HA H 4.276 0.030 1 352 38 38 TRP CB C 29.693 0.300 1 353 38 38 TRP HB2 H 3.116 0.030 2 354 38 38 TRP HB3 H 3.227 0.030 2 355 38 38 TRP CD1 C 127.475 0.300 1 356 38 38 TRP HD1 H 6.942 0.030 1 357 38 38 TRP NE1 N 129.538 0.300 1 358 38 38 TRP HE1 H 10.224 0.030 1 359 38 38 TRP CE3 C 119.927 0.300 1 360 38 38 TRP HE3 H 7.232 0.030 1 361 38 38 TRP CZ2 C 114.665 0.300 1 362 38 38 TRP HZ2 H 7.397 0.030 1 363 38 38 TRP CZ3 C 121.572 0.300 1 364 38 38 TRP HZ3 H 6.878 0.030 1 365 38 38 TRP CH2 C 125.116 0.300 1 366 38 38 TRP HH2 H 7.043 0.030 1 367 38 38 TRP C C 178.664 0.300 1 368 39 39 LYS N N 117.638 0.300 1 369 39 39 LYS H H 8.102 0.030 1 370 39 39 LYS CA C 60.009 0.300 1 371 39 39 LYS HA H 4.031 0.030 1 372 39 39 LYS CB C 32.471 0.300 1 373 39 39 LYS HB2 H 1.939 0.030 1 374 39 39 LYS HB3 H 1.939 0.030 1 375 39 39 LYS CG C 25.465 0.300 1 376 39 39 LYS HG2 H 1.470 0.030 2 377 39 39 LYS HG3 H 1.654 0.030 2 378 39 39 LYS CD C 29.498 0.300 1 379 39 39 LYS HD2 H 1.739 0.030 2 380 39 39 LYS HD3 H 1.773 0.030 2 381 39 39 LYS CE C 42.161 0.300 1 382 39 39 LYS HE2 H 3.000 0.030 2 383 39 39 LYS C C 178.713 0.300 1 384 40 40 GLU N N 120.486 0.300 1 385 40 40 GLU H H 6.821 0.030 1 386 40 40 GLU CA C 58.486 0.300 1 387 40 40 GLU HA H 4.350 0.030 1 388 40 40 GLU CB C 28.459 0.300 1 389 40 40 GLU HB2 H 1.481 0.030 2 390 40 40 GLU HB3 H 1.014 0.030 2 391 40 40 GLU CG C 32.966 0.300 1 392 40 40 GLU HG2 H 1.281 0.030 2 393 40 40 GLU HG3 H 1.923 0.030 2 394 40 40 GLU C C 178.543 0.300 1 395 41 41 LEU N N 119.356 0.300 1 396 41 41 LEU H H 8.291 0.030 1 397 41 41 LEU CA C 59.002 0.300 1 398 41 41 LEU HA H 3.947 0.030 1 399 41 41 LEU CB C 41.914 0.300 1 400 41 41 LEU HB2 H 1.065 0.030 2 401 41 41 LEU HB3 H 1.777 0.030 2 402 41 41 LEU CG C 26.699 0.300 1 403 41 41 LEU HG H 1.175 0.030 1 404 41 41 LEU CD1 C 26.194 0.300 2 405 41 41 LEU HD1 H -0.156 0.030 1 406 41 41 LEU CD2 C 23.389 0.300 2 407 41 41 LEU HD2 H 0.389 0.030 1 408 41 41 LEU C C 178.106 0.300 1 409 42 42 ASN N N 113.310 0.300 1 410 42 42 ASN H H 8.350 0.030 1 411 42 42 ASN CA C 55.623 0.300 1 412 42 42 ASN HA H 4.420 0.030 1 413 42 42 ASN CB C 39.318 0.300 1 414 42 42 ASN HB2 H 2.624 0.030 2 415 42 42 ASN HB3 H 2.751 0.030 2 416 42 42 ASN ND2 N 111.789 0.300 1 417 42 42 ASN HD21 H 7.212 0.030 2 418 42 42 ASN HD22 H 6.658 0.030 2 419 42 42 ASN C C 176.820 0.300 1 420 43 43 ARG N N 117.734 0.300 1 421 43 43 ARG H H 7.578 0.030 1 422 43 43 ARG CA C 58.301 0.300 1 423 43 43 ARG HA H 4.227 0.030 1 424 43 43 ARG CB C 31.361 0.300 1 425 43 43 ARG HB2 H 1.898 0.030 2 426 43 43 ARG HB3 H 1.969 0.030 2 427 43 43 ARG CG C 28.135 0.300 1 428 43 43 ARG HG2 H 1.636 0.030 2 429 43 43 ARG HG3 H 1.741 0.030 2 430 43 43 ARG CD C 43.700 0.300 1 431 43 43 ARG HD2 H 3.136 0.030 2 432 43 43 ARG HD3 H 3.276 0.030 2 433 43 43 ARG C C 178.106 0.300 1 434 44 44 LYS N N 115.502 0.300 1 435 44 44 LYS H H 7.365 0.030 1 436 44 44 LYS CA C 55.367 0.300 1 437 44 44 LYS HA H 4.280 0.030 1 438 44 44 LYS CB C 34.289 0.300 1 439 44 44 LYS HB2 H 1.360 0.030 2 440 44 44 LYS HB3 H 1.662 0.030 2 441 44 44 LYS CG C 23.603 0.300 1 442 44 44 LYS HG2 H 1.103 0.030 2 443 44 44 LYS HG3 H 0.741 0.030 2 444 44 44 LYS CD C 26.912 0.300 1 445 44 44 LYS HD2 H 1.159 0.030 2 446 44 44 LYS CE C 42.229 0.300 1 447 44 44 LYS HE2 H 2.490 0.030 2 448 44 44 LYS HE3 H 2.663 0.030 2 449 44 44 LYS C C 176.504 0.300 1 450 45 45 LEU N N 118.486 0.300 1 451 45 45 LEU H H 7.977 0.030 1 452 45 45 LEU CA C 53.335 0.300 1 453 45 45 LEU HA H 4.882 0.030 1 454 45 45 LEU CB C 45.307 0.300 1 455 45 45 LEU HB2 H 2.031 0.030 2 456 45 45 LEU HB3 H 1.556 0.030 2 457 45 45 LEU CG C 27.279 0.300 1 458 45 45 LEU HG H 1.986 0.030 1 459 45 45 LEU CD1 C 27.181 0.300 2 460 45 45 LEU HD1 H 0.850 0.030 1 461 45 45 LEU CD2 C 23.783 0.300 2 462 45 45 LEU HD2 H 1.145 0.030 1 463 45 45 LEU C C 176.771 0.300 1 464 46 46 SER N N 116.809 0.300 1 465 46 46 SER H H 9.074 0.030 1 466 46 46 SER CA C 57.981 0.300 1 467 46 46 SER HA H 4.407 0.030 1 468 46 46 SER CB C 64.496 0.300 1 469 46 46 SER HB2 H 4.279 0.030 2 470 46 46 SER HB3 H 4.136 0.030 2 471 46 46 SER C C 175.387 0.300 1 472 47 47 SER N N 117.511 0.300 1 473 47 47 SER H H 8.955 0.030 1 474 47 47 SER CA C 61.523 0.300 1 475 47 47 SER HA H 4.197 0.030 1 476 47 47 SER CB C 62.412 0.300 1 477 47 47 SER HB2 H 3.943 0.030 1 478 47 47 SER HB3 H 3.943 0.030 1 479 48 48 ASN H H 8.475 0.030 1 480 48 48 ASN CA C 56.327 0.300 1 481 48 48 ASN HA H 4.421 0.030 1 482 48 48 ASN CB C 38.635 0.300 1 483 48 48 ASN HB2 H 2.814 0.030 2 484 48 48 ASN HB3 H 2.710 0.030 2 485 48 48 ASN ND2 N 113.469 0.300 1 486 48 48 ASN HD21 H 7.733 0.030 2 487 48 48 ASN HD22 H 7.022 0.030 2 488 48 48 ASN C C 177.232 0.300 1 489 49 49 ALA N N 123.504 0.300 1 490 49 49 ALA H H 7.837 0.030 1 491 49 49 ALA CA C 55.271 0.300 1 492 49 49 ALA HA H 4.171 0.030 1 493 49 49 ALA CB C 19.301 0.300 1 494 49 49 ALA HB H 1.528 0.030 1 495 49 49 ALA C C 179.830 0.300 1 496 50 50 VAL N N 115.694 0.300 1 497 50 50 VAL H H 8.069 0.030 1 498 50 50 VAL CA C 65.728 0.300 1 499 50 50 VAL HA H 3.645 0.030 1 500 50 50 VAL CB C 31.836 0.300 1 501 50 50 VAL HB H 2.098 0.030 1 502 50 50 VAL CG1 C 21.834 0.300 2 503 50 50 VAL HG1 H 1.037 0.030 1 504 50 50 VAL CG2 C 23.716 0.300 2 505 50 50 VAL HG2 H 0.963 0.030 1 506 50 50 VAL C C 178.567 0.300 1 507 51 51 SER N N 114.048 0.300 1 508 51 51 SER H H 7.849 0.030 1 509 51 51 SER CA C 60.756 0.300 1 510 51 51 SER HA H 4.334 0.030 1 511 51 51 SER CB C 63.383 0.300 1 512 51 51 SER HB2 H 4.043 0.030 2 513 51 51 SER C C 174.635 0.300 1 514 52 52 GLN N N 118.482 0.300 1 515 52 52 GLN H H 7.564 0.030 1 516 52 52 GLN CA C 55.306 0.300 1 517 52 52 GLN HA H 4.389 0.030 1 518 52 52 GLN CB C 29.217 0.300 1 519 52 52 GLN HB2 H 2.029 0.030 2 520 52 52 GLN HB3 H 2.372 0.030 2 521 52 52 GLN CG C 33.568 0.300 1 522 52 52 GLN HG2 H 2.397 0.030 2 523 52 52 GLN HG3 H 2.539 0.030 2 524 52 52 GLN NE2 N 111.770 0.300 1 525 52 52 GLN HE21 H 7.102 0.030 2 526 52 52 GLN HE22 H 6.661 0.030 2 527 52 52 GLN C C 175.315 0.300 1 528 53 53 ILE N N 119.847 0.300 1 529 53 53 ILE H H 7.281 0.030 1 530 53 53 ILE CA C 62.903 0.300 1 531 53 53 ILE HA H 4.417 0.030 1 532 53 53 ILE CB C 38.124 0.300 1 533 53 53 ILE HB H 2.019 0.030 1 534 53 53 ILE CG1 C 27.708 0.300 1 535 53 53 ILE HG12 H 0.727 0.030 2 536 53 53 ILE HG13 H 1.805 0.030 2 537 53 53 ILE CG2 C 17.788 0.300 1 538 53 53 ILE HG2 H 0.385 0.030 1 539 53 53 ILE CD1 C 14.658 0.300 1 540 53 53 ILE HD1 H 0.275 0.030 1 541 53 53 ILE C C 176.383 0.300 1 542 54 54 THR N N 120.582 0.300 1 543 54 54 THR H H 9.046 0.030 1 544 54 54 THR CA C 59.846 0.300 1 545 54 54 THR HA H 4.834 0.030 1 546 54 54 THR CB C 71.904 0.300 1 547 54 54 THR HB H 4.124 0.030 1 548 54 54 THR CG2 C 20.951 0.300 1 549 54 54 THR HG2 H 1.078 0.030 1 550 54 54 THR C C 172.135 0.300 1 551 55 55 ARG N N 118.375 0.300 1 552 55 55 ARG H H 8.511 0.030 1 553 55 55 ARG CA C 57.312 0.300 1 554 55 55 ARG HA H 3.782 0.030 1 555 55 55 ARG CB C 28.704 0.300 1 556 55 55 ARG HB2 H 1.602 0.030 2 557 55 55 ARG HB3 H 1.517 0.030 2 558 55 55 ARG CG C 28.762 0.300 1 559 55 55 ARG HG2 H 1.478 0.030 2 560 55 55 ARG HG3 H 1.904 0.030 2 561 55 55 ARG CD C 43.474 0.300 1 562 55 55 ARG HD2 H 3.031 0.030 2 563 55 55 ARG HD3 H 3.081 0.030 2 564 55 55 ARG C C 174.684 0.300 1 565 56 56 MET N N 118.525 0.300 1 566 56 56 MET H H 8.279 0.030 1 567 56 56 MET CA C 55.799 0.300 1 568 56 56 MET HA H 5.188 0.030 1 569 56 56 MET CB C 33.062 0.300 1 570 56 56 MET HB2 H 1.645 0.030 2 571 56 56 MET HB3 H 2.026 0.030 2 572 56 56 MET CG C 31.473 0.300 1 573 56 56 MET HG2 H 2.060 0.030 2 574 56 56 MET HG3 H 2.158 0.030 2 575 56 56 MET CE C 15.162 0.300 1 576 56 56 MET HE H 0.284 0.030 1 577 56 56 MET C C 177.572 0.300 1 578 57 57 CYS N N 126.541 0.300 1 579 57 57 CYS H H 9.340 0.030 1 580 57 57 CYS CA C 57.171 0.300 1 581 57 57 CYS HA H 4.794 0.030 1 582 57 57 CYS CB C 31.161 0.300 1 583 57 57 CYS HB2 H 2.898 0.030 1 584 57 57 CYS HB3 H 2.898 0.030 1 585 57 57 CYS C C 173.057 0.300 1 586 58 58 LEU N N 123.786 0.300 1 587 58 58 LEU H H 8.682 0.030 1 588 58 58 LEU CA C 55.975 0.300 1 589 58 58 LEU HA H 4.520 0.030 1 590 58 58 LEU CB C 43.097 0.300 1 591 58 58 LEU HB2 H 1.598 0.030 2 592 58 58 LEU HB3 H 1.720 0.030 2 593 58 58 LEU CG C 27.189 0.300 1 594 58 58 LEU HG H 1.715 0.030 1 595 58 58 LEU CD1 C 25.060 0.300 2 596 58 58 LEU HD1 H 0.934 0.030 1 597 58 58 LEU CD2 C 24.615 0.300 2 598 58 58 LEU HD2 H 0.797 0.030 1 599 58 58 LEU C C 177.960 0.300 1 600 59 59 LEU N N 124.007 0.300 1 601 59 59 LEU H H 8.269 0.030 1 602 59 59 LEU CA C 54.156 0.300 1 603 59 59 LEU HA H 4.261 0.030 1 604 59 59 LEU CB C 42.986 0.300 1 605 59 59 LEU HB2 H 1.427 0.030 2 606 59 59 LEU HB3 H 1.338 0.030 2 607 59 59 LEU CG C 26.804 0.300 1 608 59 59 LEU HG H 1.215 0.030 1 609 59 59 LEU CD1 C 25.216 0.300 2 610 59 59 LEU HD1 H 0.640 0.030 1 611 59 59 LEU CD2 C 22.497 0.300 2 612 59 59 LEU HD2 H 0.752 0.030 1 613 59 59 LEU C C 177.645 0.300 1 614 60 60 LYS N N 122.593 0.300 1 615 60 60 LYS H H 8.458 0.030 1 616 60 60 LYS CA C 58.263 0.300 1 617 60 60 LYS HA H 4.101 0.030 1 618 60 60 LYS CB C 31.732 0.300 1 619 60 60 LYS HB2 H 1.693 0.030 2 620 60 60 LYS HB3 H 1.803 0.030 2 621 60 60 LYS CG C 24.654 0.300 1 622 60 60 LYS HG2 H 1.392 0.030 2 623 60 60 LYS HG3 H 1.482 0.030 2 624 60 60 LYS CD C 29.186 0.300 1 625 60 60 LYS HD2 H 1.674 0.030 2 626 60 60 LYS CE C 42.191 0.300 1 627 60 60 LYS HE2 H 2.977 0.030 2 628 60 60 LYS C C 178.422 0.300 1 629 61 61 GLY H H 9.070 0.030 1 630 61 61 GLY CA C 45.355 0.300 1 631 61 61 GLY HA2 H 3.641 0.030 2 632 61 61 GLY HA3 H 4.223 0.030 2 633 61 61 GLY C C 173.907 0.300 1 634 62 62 ASN N N 112.617 0.300 1 635 62 62 ASN H H 8.639 0.030 1 636 62 62 ASN CA C 55.115 0.300 1 637 62 62 ASN HA H 4.208 0.030 1 638 62 62 ASN CB C 36.133 0.300 1 639 62 62 ASN HB2 H 3.090 0.030 2 640 62 62 ASN HB3 H 3.703 0.030 2 641 62 62 ASN ND2 N 111.900 0.300 1 642 62 62 ASN HD21 H 7.580 0.030 2 643 62 62 ASN HD22 H 6.710 0.030 2 644 62 62 ASN C C 173.810 0.300 1 645 63 63 MET N N 114.254 0.300 1 646 63 63 MET H H 7.967 0.030 1 647 63 63 MET CA C 53.229 0.300 1 648 63 63 MET HA H 4.908 0.030 1 649 63 63 MET CB C 29.363 0.300 1 650 63 63 MET HB2 H 1.725 0.030 2 651 63 63 MET HB3 H 2.413 0.030 2 652 63 63 MET CG C 31.542 0.300 1 653 63 63 MET HG2 H 2.265 0.030 2 654 63 63 MET HG3 H 2.599 0.030 2 655 63 63 MET CE C 15.643 0.300 1 656 63 63 MET HE H 1.781 0.030 1 657 63 63 MET C C 175.436 0.300 1 658 64 64 GLY N N 102.826 0.300 1 659 64 64 GLY H H 7.039 0.030 1 660 64 64 GLY CA C 45.381 0.300 1 661 64 64 GLY HA2 H 4.902 0.030 2 662 64 64 GLY HA3 H 4.026 0.030 2 663 64 64 GLY C C 171.868 0.300 1 664 65 65 VAL N N 110.602 0.300 1 665 65 65 VAL H H 8.994 0.030 1 666 65 65 VAL CA C 58.892 0.300 1 667 65 65 VAL HA H 5.511 0.030 1 668 65 65 VAL CB C 36.392 0.300 1 669 65 65 VAL HB H 2.383 0.030 1 670 65 65 VAL CG1 C 22.696 0.300 2 671 65 65 VAL HG1 H 0.916 0.030 1 672 65 65 VAL CG2 C 19.265 0.300 2 673 65 65 VAL HG2 H 0.821 0.030 1 674 65 65 VAL C C 174.319 0.300 1 675 66 66 CYS N N 115.721 0.300 1 676 66 66 CYS H H 9.175 0.030 1 677 66 66 CYS CA C 54.912 0.300 1 678 66 66 CYS HA H 5.590 0.030 1 679 66 66 CYS CB C 31.672 0.300 1 680 66 66 CYS HB2 H 2.581 0.030 2 681 66 66 CYS HB3 H 2.839 0.030 2 682 66 66 CYS C C 171.941 0.300 1 683 67 67 PHE N N 114.941 0.300 1 684 67 67 PHE H H 8.220 0.030 1 685 67 67 PHE CA C 56.468 0.300 1 686 67 67 PHE HA H 4.879 0.030 1 687 67 67 PHE CB C 39.366 0.300 1 688 67 67 PHE HB2 H 2.942 0.030 2 689 67 67 PHE HB3 H 2.985 0.030 2 690 67 67 PHE CD1 C 132.549 0.300 1 691 67 67 PHE HD1 H 6.605 0.030 1 692 67 67 PHE CD2 C 132.549 0.300 1 693 67 67 PHE HD2 H 6.605 0.030 1 694 67 67 PHE CE1 C 129.924 0.300 1 695 67 67 PHE HE1 H 6.750 0.030 1 696 67 67 PHE CE2 C 129.924 0.300 1 697 67 67 PHE HE2 H 6.750 0.030 1 698 67 67 PHE CZ C 128.423 0.300 1 699 67 67 PHE HZ H 6.544 0.030 1 700 67 67 PHE C C 171.552 0.300 1 701 68 68 ASP N N 119.507 0.300 1 702 68 68 ASP H H 9.072 0.030 1 703 68 68 ASP CA C 52.737 0.300 1 704 68 68 ASP HA H 5.901 0.030 1 705 68 68 ASP CB C 42.545 0.300 1 706 68 68 ASP HB2 H 2.440 0.030 2 707 68 68 ASP HB3 H 2.256 0.030 2 708 68 68 ASP C C 176.116 0.300 1 709 69 69 VAL N N 114.937 0.300 1 710 69 69 VAL H H 8.819 0.030 1 711 69 69 VAL CA C 58.051 0.300 1 712 69 69 VAL HA H 5.205 0.030 1 713 69 69 VAL CB C 35.698 0.300 1 714 69 69 VAL HB H 2.065 0.030 1 715 69 69 VAL CG1 C 22.309 0.300 2 716 69 69 VAL HG1 H 1.090 0.030 1 717 69 69 VAL CG2 C 20.470 0.300 2 718 69 69 VAL HG2 H 0.976 0.030 1 719 69 69 VAL C C 173.154 0.300 1 720 70 70 PRO CA C 62.946 0.300 1 721 70 70 PRO HA H 4.479 0.030 1 722 70 70 PRO CB C 32.255 0.300 1 723 70 70 PRO HB2 H 1.730 0.030 2 724 70 70 PRO HB3 H 2.359 0.030 2 725 70 70 PRO CG C 28.404 0.300 1 726 70 70 PRO HG2 H 1.978 0.030 2 727 70 70 PRO HG3 H 2.270 0.030 2 728 70 70 PRO CD C 51.404 0.300 1 729 70 70 PRO HD2 H 3.432 0.030 2 730 70 70 PRO HD3 H 4.331 0.030 2 731 70 70 PRO C C 178.737 0.300 1 732 71 71 THR N N 119.743 0.300 1 733 71 71 THR H H 8.401 0.030 1 734 71 71 THR CA C 66.415 0.300 1 735 71 71 THR HA H 3.761 0.030 1 736 71 71 THR CB C 68.476 0.300 1 737 71 71 THR HB H 3.986 0.030 1 738 71 71 THR CG2 C 22.379 0.300 1 739 71 71 THR HG2 H 1.132 0.030 1 740 71 71 THR C C 176.965 0.300 1 741 72 72 THR N N 109.724 0.300 1 742 72 72 THR H H 7.747 0.030 1 743 72 72 THR CA C 64.100 0.300 1 744 72 72 THR HA H 4.120 0.030 1 745 72 72 THR CB C 68.471 0.300 1 746 72 72 THR HB H 4.342 0.030 1 747 72 72 THR CG2 C 22.307 0.300 1 748 72 72 THR HG2 H 1.265 0.030 1 749 72 72 THR C C 175.849 0.300 1 750 73 73 GLU N N 118.626 0.300 1 751 73 73 GLU H H 7.767 0.030 1 752 73 73 GLU CA C 55.623 0.300 1 753 73 73 GLU HA H 4.587 0.030 1 754 73 73 GLU CB C 30.542 0.300 1 755 73 73 GLU HB2 H 1.769 0.030 2 756 73 73 GLU HB3 H 2.310 0.030 2 757 73 73 GLU CG C 34.941 0.300 1 758 73 73 GLU HG2 H 2.105 0.030 2 759 73 73 GLU HG3 H 2.319 0.030 2 760 73 73 GLU C C 177.257 0.300 1 761 74 74 SER N N 114.932 0.300 1 762 74 74 SER H H 7.442 0.030 1 763 74 74 SER CA C 62.099 0.300 1 764 74 74 SER HA H 3.938 0.030 1 765 74 74 SER CB C 63.067 0.300 1 766 74 74 SER HB2 H 3.825 0.030 2 767 74 74 SER HB3 H 3.757 0.030 2 768 74 74 SER C C 176.528 0.300 1 769 75 75 GLU N N 120.907 0.300 1 770 75 75 GLU H H 8.350 0.030 1 771 75 75 GLU CA C 59.706 0.300 1 772 75 75 GLU HA H 4.045 0.030 1 773 75 75 GLU CB C 29.085 0.300 1 774 75 75 GLU HB2 H 2.026 0.030 1 775 75 75 GLU HB3 H 2.026 0.030 1 776 75 75 GLU CG C 36.701 0.300 1 777 75 75 GLU HG2 H 2.234 0.030 2 778 75 75 GLU HG3 H 2.359 0.030 2 779 75 75 GLU C C 179.320 0.300 1 780 76 76 ARG N N 121.343 0.300 1 781 76 76 ARG H H 7.948 0.030 1 782 76 76 ARG CA C 59.188 0.300 1 783 76 76 ARG HA H 4.094 0.030 1 784 76 76 ARG CB C 29.726 0.300 1 785 76 76 ARG HB2 H 1.935 0.030 1 786 76 76 ARG HB3 H 1.935 0.030 1 787 76 76 ARG CG C 27.389 0.300 1 788 76 76 ARG HG2 H 1.605 0.030 2 789 76 76 ARG HG3 H 1.774 0.030 2 790 76 76 ARG CD C 43.588 0.300 1 791 76 76 ARG HD2 H 3.238 0.030 2 792 76 76 ARG HE H 7.700 0.030 1 793 76 76 ARG C C 178.373 0.300 1 794 77 77 LEU N N 120.110 0.300 1 795 77 77 LEU H H 8.029 0.030 1 796 77 77 LEU CA C 59.809 0.300 1 797 77 77 LEU HA H 3.975 0.030 1 798 77 77 LEU CB C 42.216 0.300 1 799 77 77 LEU HB2 H 1.585 0.030 2 800 77 77 LEU HB3 H 1.810 0.030 2 801 77 77 LEU CG C 29.286 0.300 1 802 77 77 LEU HG H 1.814 0.030 1 803 77 77 LEU CD1 C 26.191 0.300 2 804 77 77 LEU HD1 H 0.943 0.030 1 805 77 77 LEU CD2 C 25.386 0.300 2 806 77 77 LEU HD2 H 0.881 0.030 1 807 77 77 LEU C C 178.810 0.300 1 808 78 78 GLN N N 114.090 0.300 1 809 78 78 GLN H H 7.680 0.030 1 810 78 78 GLN CA C 59.600 0.300 1 811 78 78 GLN HA H 3.915 0.030 1 812 78 78 GLN CB C 30.101 0.300 1 813 78 78 GLN HB2 H 2.064 0.030 2 814 78 78 GLN HB3 H 2.193 0.030 2 815 78 78 GLN CG C 35.543 0.300 1 816 78 78 GLN HG2 H 2.486 0.030 2 817 78 78 GLN HG3 H 2.097 0.030 2 818 78 78 GLN NE2 N 111.737 0.300 1 819 78 78 GLN HE21 H 7.053 0.030 2 820 78 78 GLN HE22 H 6.937 0.030 2 821 78 78 GLN C C 178.325 0.300 1 822 79 79 ALA N N 119.863 0.300 1 823 79 79 ALA H H 7.900 0.030 1 824 79 79 ALA CA C 54.321 0.300 1 825 79 79 ALA HA H 4.255 0.030 1 826 79 79 ALA CB C 18.596 0.300 1 827 79 79 ALA HB H 1.560 0.030 1 828 79 79 ALA C C 179.514 0.300 1 829 80 80 GLU N N 115.847 0.300 1 830 80 80 GLU H H 7.773 0.030 1 831 80 80 GLU CA C 57.312 0.300 1 832 80 80 GLU HA H 4.286 0.030 1 833 80 80 GLU CB C 31.095 0.300 1 834 80 80 GLU HB2 H 2.128 0.030 2 835 80 80 GLU HB3 H 2.312 0.030 2 836 80 80 GLU CG C 36.895 0.300 1 837 80 80 GLU HG2 H 2.616 0.030 2 838 80 80 GLU HG3 H 2.336 0.030 2 839 80 80 GLU C C 176.965 0.300 1 840 81 81 TRP N N 122.132 0.300 1 841 81 81 TRP H H 7.661 0.030 1 842 81 81 TRP CA C 58.641 0.300 1 843 81 81 TRP HA H 4.261 0.030 1 844 81 81 TRP CB C 29.118 0.300 1 845 81 81 TRP HB2 H 3.427 0.030 2 846 81 81 TRP HB3 H 3.220 0.030 2 847 81 81 TRP CD1 C 127.475 0.300 1 848 81 81 TRP HD1 H 7.287 0.030 1 849 81 81 TRP NE1 N 127.685 0.300 1 850 81 81 TRP HE1 H 9.817 0.030 1 851 81 81 TRP CE3 C 118.791 0.300 1 852 81 81 TRP HE3 H 7.308 0.030 1 853 81 81 TRP CZ2 C 115.571 0.300 1 854 81 81 TRP HZ2 H 7.406 0.030 1 855 81 81 TRP CZ3 C 121.525 0.300 1 856 81 81 TRP HZ3 H 6.820 0.030 1 857 81 81 TRP CH2 C 122.922 0.300 1 858 81 81 TRP HH2 H 6.572 0.030 1 859 81 81 TRP C C 174.611 0.300 1 860 82 82 HIS CA C 54.101 0.300 1 861 82 82 HIS HA H 4.727 0.030 1 862 82 82 HIS CB C 30.847 0.300 1 863 82 82 HIS HB2 H 2.994 0.030 2 864 82 82 HIS HB3 H 3.267 0.030 2 865 82 82 HIS CD2 C 120.917 0.300 1 866 82 82 HIS HD2 H 7.191 0.030 1 867 82 82 HIS CE1 C 136.975 0.300 1 868 82 82 HIS HE1 H 8.382 0.030 1 869 83 83 ASP CA C 54.997 0.300 1 870 83 83 ASP HA H 4.342 0.030 1 871 83 83 ASP CB C 40.395 0.300 1 872 83 83 ASP HB2 H 2.384 0.030 2 873 83 83 ASP HB3 H 2.706 0.030 2 874 83 83 ASP C C 174.198 0.300 1 875 84 84 SER N N 111.986 0.300 1 876 84 84 SER H H 7.863 0.030 1 877 84 84 SER CA C 56.714 0.300 1 878 84 84 SER HA H 4.584 0.030 1 879 84 84 SER CB C 64.374 0.300 1 880 84 84 SER HB2 H 3.391 0.030 2 881 84 84 SER HB3 H 3.113 0.030 2 882 84 84 SER C C 174.489 0.300 1 883 85 85 ASP N N 125.547 0.300 1 884 85 85 ASP H H 9.268 0.030 1 885 85 85 ASP CA C 55.447 0.300 1 886 85 85 ASP HA H 4.704 0.030 1 887 85 85 ASP CB C 40.980 0.300 1 888 85 85 ASP HB2 H 2.698 0.030 2 889 85 85 ASP HB3 H 2.820 0.030 2 890 85 85 ASP C C 177.038 0.300 1 891 86 86 TRP N N 121.831 0.300 1 892 86 86 TRP H H 9.345 0.030 1 893 86 86 TRP CA C 56.967 0.300 1 894 86 86 TRP HA H 5.091 0.030 1 895 86 86 TRP CB C 29.118 0.300 1 896 86 86 TRP HB2 H 3.178 0.030 2 897 86 86 TRP HB3 H 3.455 0.030 2 898 86 86 TRP CD1 C 126.862 0.300 1 899 86 86 TRP HD1 H 7.369 0.030 1 900 86 86 TRP NE1 N 130.855 0.300 1 901 86 86 TRP HE1 H 10.359 0.030 1 902 86 86 TRP CE3 C 121.016 0.300 1 903 86 86 TRP HE3 H 7.265 0.030 1 904 86 86 TRP CZ2 C 114.667 0.300 1 905 86 86 TRP HZ2 H 7.407 0.030 1 906 86 86 TRP CZ3 C 119.741 0.300 1 907 86 86 TRP HZ3 H 6.785 0.030 1 908 86 86 TRP CH2 C 123.425 0.300 1 909 86 86 TRP HH2 H 6.897 0.030 1 910 86 86 TRP C C 176.723 0.300 1 911 87 87 ILE N N 123.116 0.300 1 912 87 87 ILE H H 8.965 0.030 1 913 87 87 ILE CA C 60.595 0.300 1 914 87 87 ILE HA H 4.462 0.030 1 915 87 87 ILE CB C 40.354 0.300 1 916 87 87 ILE HB H 1.760 0.030 1 917 87 87 ILE CG1 C 27.556 0.300 1 918 87 87 ILE HG12 H 1.223 0.030 2 919 87 87 ILE HG13 H 1.580 0.030 2 920 87 87 ILE CG2 C 17.609 0.300 1 921 87 87 ILE HG2 H 0.863 0.030 1 922 87 87 ILE CD1 C 12.967 0.300 1 923 87 87 ILE HD1 H 0.841 0.030 1 924 87 87 ILE C C 175.824 0.300 1 925 88 88 LEU N N 134.475 0.300 1 926 88 88 LEU H H 8.736 0.030 1 927 88 88 LEU CA C 53.763 0.300 1 928 88 88 LEU HA H 5.163 0.030 1 929 88 88 LEU CB C 43.020 0.300 1 930 88 88 LEU HB2 H 0.007 0.030 2 931 88 88 LEU HB3 H 1.441 0.030 2 932 88 88 LEU CG C 27.071 0.300 1 933 88 88 LEU HG H 1.066 0.030 1 934 88 88 LEU CD1 C 23.583 0.300 2 935 88 88 LEU HD1 H 0.535 0.030 1 936 88 88 LEU CD2 C 26.370 0.300 2 937 88 88 LEU HD2 H 0.445 0.030 1 938 88 88 LEU C C 175.824 0.300 1 939 89 89 SER N N 122.016 0.300 1 940 89 89 SER H H 9.152 0.030 1 941 89 89 SER CA C 57.242 0.300 1 942 89 89 SER HA H 4.739 0.030 1 943 89 89 SER CB C 65.526 0.300 1 944 89 89 SER HB2 H 3.622 0.030 2 945 89 89 SER HB3 H 3.689 0.030 2 946 89 89 SER C C 171.989 0.300 1 947 90 90 VAL N N 119.844 0.300 1 948 90 90 VAL H H 8.220 0.030 1 949 90 90 VAL CA C 59.143 0.300 1 950 90 90 VAL HA H 4.604 0.030 1 951 90 90 VAL CB C 33.056 0.300 1 952 90 90 VAL HB H 2.022 0.030 1 953 90 90 VAL CG1 C 20.843 0.300 2 954 90 90 VAL HG1 H 0.821 0.030 1 955 90 90 VAL CG2 C 21.337 0.300 2 956 90 90 VAL HG2 H 0.899 0.030 1 957 90 90 VAL C C 174.198 0.300 1 958 91 91 PRO CA C 63.467 0.300 1 959 91 91 PRO HA H 4.329 0.030 1 960 91 91 PRO CB C 32.003 0.300 1 961 91 91 PRO HB2 H 1.891 0.030 2 962 91 91 PRO HB3 H 2.210 0.030 2 963 91 91 PRO CG C 27.365 0.300 1 964 91 91 PRO HG2 H 1.915 0.030 2 965 91 91 PRO HG3 H 1.822 0.030 2 966 91 91 PRO CD C 51.044 0.300 1 967 91 91 PRO HD2 H 3.659 0.030 2 968 91 91 PRO HD3 H 3.823 0.030 2 969 91 91 PRO C C 175.557 0.300 1 970 92 92 ALA N N 130.150 0.300 1 971 92 92 ALA H H 7.997 0.030 1 972 92 92 ALA CA C 53.757 0.300 1 973 92 92 ALA HA H 4.117 0.030 1 974 92 92 ALA CB C 20.254 0.300 1 975 92 92 ALA HB H 1.326 0.030 1 976 92 92 ALA C C 182.718 0.300 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 $sample_1 $sample_1 $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 19 GLY H 19 GLY N 1.642 ? ? . . . DNH 20 PHE H 20 PHE N 7.419 ? ? . . . DNH 21 VAL H 21 VAL N 6.750 ? ? . . . DNH 22 THR H 22 THR N 5.290 ? ? . . . DNH 23 MET H 23 MET N 3.344 ? ? . . . DNH 24 THR H 24 THR N -0.061 ? ? . . . DNH 25 LEU H 25 LEU N 2.189 ? ? . . . DNH 26 GLU H 26 GLU N -2.615 ? ? . . . DNH 27 SER H 27 SER N 4.500 ? ? . . . DNH 28 LEU H 28 LEU N 5.473 ? ? . . . DNH 29 GLU H 29 GLU N -3.648 ? ? . . . DNH 30 GLU H 30 GLU N -6.750 ? ? . . . DNH 31 ILE H 31 ILE N 3.101 ? ? . . . DNH 32 GLN H 32 GLN N 6.446 ? ? . . . DNH 34 VAL H 34 VAL N 5.716 ? ? . . . DNH 35 SER H 35 SER N -5.229 ? ? . . . DNH 36 CYS H 36 CYS N 0.973 ? ? . . . DNH 37 ALA H 37 ALA N 3.709 ? ? . . . DNH 38 TRP H 38 TRP N -1.338 ? ? . . . DNH 39 LYS H 39 LYS N -4.743 ? ? . . . DNH 40 GLU H 40 GLU N 3.223 ? ? . . . DNH 41 LEU H 41 LEU N 0.791 ? ? . . . DNH 42 ASN H 42 ASN N -5.655 ? ? . . . DNH 43 ARG H 43 ARG N 0.304 ? ? . . . DNH 44 LYS H 44 LYS N 3.466 ? ? . . . DNH 45 LEU H 45 LEU N -3.162 ? ? . . . DNH 46 SER H 46 SER N -0.122 ? ? . . . DNH 47 SER H 47 SER N 5.716 ? ? . . . DNH 49 ALA H 49 ALA N 5.108 ? ? . . . DNH 50 VAL H 50 VAL N 7.054 ? ? . . . DNH 51 SER H 51 SER N 3.344 ? ? . . . DNH 52 GLN H 52 GLN N 4.682 ? ? . . . DNH 53 ILE H 53 ILE N 5.777 ? ? . . . DNH 54 THR H 54 THR N 3.466 ? ? . . . DNH 55 ARG H 55 ARG N 4.561 ? ? . . . DNH 56 MET H 56 MET N 4.500 ? ? . . . DNH 57 CYS H 57 CYS N 0.912 ? ? . . . DNH 58 LEU H 58 LEU N 2.858 ? ? . . . DNH 59 LEU H 59 LEU N 6.385 ? ? . . . DNH 60 LYS H 60 LYS N -6.567 ? ? . . . DNH 62 ASN H 62 ASN N -1.216 ? ? . . . DNH 63 MET H 63 MET N 5.534 ? ? . . . DNH 64 GLY H 64 GLY N 1.581 ? ? . . . DNH 65 VAL H 65 VAL N 2.128 ? ? . . . DNH 66 CYS H 66 CYS N 1.155 ? ? . . . DNH 67 PHE H 67 PHE N 1.642 ? ? . . . DNH 68 ASP H 68 ASP N 2.007 ? ? . . . DNH 69 VAL H 69 VAL N 5.838 ? ? . . . DNH 71 THR H 71 THR N 5.290 ? ? . . . DNH 72 THR H 72 THR N 4.439 ? ? . . . DNH 73 GLU H 73 GLU N 4.257 ? ? . . . DNH 74 SER H 74 SER N 0.669 ? ? . . . DNH 75 GLU H 75 GLU N -4.561 ? ? . . . DNH 76 ARG H 76 ARG N 1.155 ? ? . . . DNH 77 LEU H 77 LEU N 3.344 ? ? . . . DNH 79 ALA H 79 ALA N -2.189 ? ? . . . DNH 80 GLU H 80 GLU N 4.257 ? ? . . . DNH 81 TRP H 81 TRP N 0.973 ? ? . . . DNH 84 SER H 84 SER N 2.250 ? ? . . . DNH 85 ASP H 85 ASP N 1.946 ? ? . . . DNH 86 TRP H 86 TRP N 3.953 ? ? . . . DNH 87 ILE H 87 ILE N -3.223 ? ? . . . DNH 88 LEU H 88 LEU N 4.317 ? ? . . . DNH 89 SER H 89 SER N 1.338 ? ? . . . DNH 90 VAL H 90 VAL N 3.466 ? ? . . . DNH 92 ALA H 92 ALA N -3.831 ? ? . . . DCC 20 PHE CA 20 PHE C 0.453 ? ? . . . DCC 21 VAL CA 21 VAL C -1.509 ? ? . . . DCC 22 THR CA 22 THR C 0.151 ? ? . . . DCC 23 MET CA 23 MET C -2.264 ? ? . . . DCC 24 THR CA 24 THR C 1.358 ? ? . . . DCC 25 LEU CA 25 LEU C -2.264 ? ? . . . DCC 26 GLU CA 26 GLU C 0.151 ? ? . . . DCC 27 SER CA 27 SER C -0.151 ? ? . . . DCC 28 LEU CA 28 LEU C -1.660 ? ? . . . DCC 29 GLU CA 29 GLU C 1.358 ? ? . . . DCC 30 GLU CA 30 GLU C 1.811 ? ? . . . DCC 31 ILE CA 31 ILE C 0.905 ? ? . . . DCC 32 GLN CA 32 GLN C 0.151 ? ? . . . DCC 33 ASP CA 33 ASP C -1.358 ? ? . . . DCC 34 VAL CA 34 VAL C 1.207 ? ? . . . DCC 35 SER CA 35 SER C 0.905 ? ? . . . DCC 36 CYS CA 36 CYS C -1.509 ? ? . . . DCC 37 ALA CA 37 ALA C -0.302 ? ? . . . DCC 38 TRP CA 38 TRP C 1.056 ? ? . . . DCC 39 LYS CA 39 LYS C 0.302 ? ? . . . DCC 40 GLU CA 40 GLU C -2.113 ? ? . . . DCC 41 LEU CA 41 LEU C 0.755 ? ? . . . DCC 42 ASN CA 42 ASN C 1.207 ? ? . . . DCC 43 ARG CA 43 ARG C -0.604 ? ? . . . DCC 44 LYS CA 44 LYS C -1.660 ? ? . . . DCC 45 LEU CA 45 LEU C 0.755 ? ? . . . DCC 46 SER CA 46 SER C 0.453 ? ? . . . DCC 48 ASN CA 48 ASN C 1.207 ? ? . . . DCC 49 ALA CA 49 ALA C -0.755 ? ? . . . DCC 50 VAL CA 50 VAL C 0.755 ? ? . . . DCC 51 SER CA 51 SER C 0.755 ? ? . . . DCC 52 GLN CA 52 GLN C -0.151 ? ? . . . DCC 53 ILE CA 53 ILE C 0.453 ? ? . . . DCC 54 THR CA 54 THR C -0.151 ? ? . . . DCC 55 ARG CA 55 ARG C -0.453 ? ? . . . DCC 56 MET CA 56 MET C -1.056 ? ? . . . DCC 57 CYS CA 57 CYS C -0.453 ? ? . . . DCC 58 LEU CA 58 LEU C 1.207 ? ? . . . DCC 59 LEU CA 59 LEU C -1.509 ? ? . . . DCC 61 GLY CA 61 GLY C 1.509 ? ? . . . DCC 62 ASN CA 62 ASN C 1.207 ? ? . . . DCC 63 MET CA 63 MET C -1.509 ? ? . . . DCC 64 GLY CA 64 GLY C 0.151 ? ? . . . DCC 65 VAL CA 65 VAL C -1.358 ? ? . . . DCC 66 CYS CA 66 CYS C 0.302 ? ? . . . DCC 67 PHE CA 67 PHE C -2.414 ? ? . . . DCC 68 ASP CA 68 ASP C 0.604 ? ? . . . DCC 70 PRO CA 70 PRO C 0.302 ? ? . . . DCC 71 THR CA 71 THR C 0.755 ? ? . . . DCC 72 THR CA 72 THR C -0.151 ? ? . . . DCC 73 GLU CA 73 GLU C -0.453 ? ? . . . DCC 74 SER CA 74 SER C 1.358 ? ? . . . DCC 75 GLU CA 75 GLU C 1.207 ? ? . . . DCC 76 ARG CA 76 ARG C -2.414 ? ? . . . DCC 77 LEU CA 77 LEU C 0.453 ? ? . . . DCC 78 GLN CA 78 GLN C 1.358 ? ? . . . DCC 79 ALA CA 79 ALA C 0.453 ? ? . . . DCC 80 GLU CA 80 GLU C -2.113 ? ? . . . DCC 83 ASP CA 83 ASP C -0.302 ? ? . . . DCC 85 ASP CA 85 ASP C 1.207 ? ? . . . DCC 86 TRP CA 86 TRP C -1.509 ? ? . . . DCC 87 ILE CA 87 ILE C -0.755 ? ? . . . DCC 88 LEU CA 88 LEU C 0.755 ? ? . . . DCC 89 SER CA 89 SER C 0.000 ? ? . . . stop_ _Details . _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 800 _Text_data_format . _Text_data . save_