data_16083 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Northeast Structural Genomics Consortium (NESG), target MrR121A ; _BMRB_accession_number 16083 _BMRB_flat_file_name bmr16083.str _Entry_type original _Submission_date 2008-12-22 _Accession_date 2008-12-22 _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 Barb Adam W. . 2 Lee 'Hsiau Wei' . . 3 Wang Xu . . 4 Magliqui Melissa . . 5 Jiang Mei . . 6 Ciccosanti Colleen . . 7 Xiao Rong . . 8 Lui Jinfeng . . 9 Everett John K. . 10 Swapna G.V.T . . 11 Acton Thomas B. . 12 Rost Burkhard . . 13 Montelione Gaetano T. . 14 Prestegard James H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 470 "13C chemical shifts" 370 "15N chemical shifts" 100 "residual dipolar couplings" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-01-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Target MrR121A' _Citation_status 'in preparation' _Citation_type internet _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barb Adam W. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MrR121A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MrR121a $MrR121a 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_MrR121a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MrR121a _Molecular_mass 40685.895 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MVDQNPEEYYLEGVLQYDAG NYTESIDLFEKAIQLDPEES KYWLMKGKALYNLERYEEAV DCYNYVINVIEDEYNKDVWA AKADALRYIEGKEVEAEIAE ARAKLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ASP 4 GLN 5 ASN 6 PRO 7 GLU 8 GLU 9 TYR 10 TYR 11 LEU 12 GLU 13 GLY 14 VAL 15 LEU 16 GLN 17 TYR 18 ASP 19 ALA 20 GLY 21 ASN 22 TYR 23 THR 24 GLU 25 SER 26 ILE 27 ASP 28 LEU 29 PHE 30 GLU 31 LYS 32 ALA 33 ILE 34 GLN 35 LEU 36 ASP 37 PRO 38 GLU 39 GLU 40 SER 41 LYS 42 TYR 43 TRP 44 LEU 45 MET 46 LYS 47 GLY 48 LYS 49 ALA 50 LEU 51 TYR 52 ASN 53 LEU 54 GLU 55 ARG 56 TYR 57 GLU 58 GLU 59 ALA 60 VAL 61 ASP 62 CYS 63 TYR 64 ASN 65 TYR 66 VAL 67 ILE 68 ASN 69 VAL 70 ILE 71 GLU 72 ASP 73 GLU 74 TYR 75 ASN 76 LYS 77 ASP 78 VAL 79 TRP 80 ALA 81 ALA 82 LYS 83 ALA 84 ASP 85 ALA 86 LEU 87 ARG 88 TYR 89 ILE 90 GLU 91 GLY 92 LYS 93 GLU 94 VAL 95 GLU 96 ALA 97 GLU 98 ILE 99 ALA 100 GLU 101 ALA 102 ARG 103 ALA 104 LYS 105 LEU 106 GLU 107 HIS 108 HIS 109 HIS 110 HIS 111 HIS 112 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KCK "Nmr Solution Structure Of The Northeast Structural Genomics Consortium (Nesg) Target Mrr121a" 100.00 112 100.00 100.00 1.47e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $MrR121a 'Methanococcus maripaludis' 39152 Archaea . Methanococcus maripaludis 'TRP Repeat' 'construct dervied from UniProtKB/TrEMBL entry Q6LY49' 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 $MrR121a 'recombinant technology' . Escherichia coli . 'pET 21' 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 $MrR121a 1 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 100 mM 'natural abundance' CaCl2 5 mM 'natural abundance' NaCl 200 mM 'natural abundance' MES 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MrR121a 1 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 100 mM 'natural abundance' CaCl2 5 mM 'natural abundance' NaCl 200 mM 'natural abundance' MES 20 mM 'natural abundance' Phage 2.92 'mg / mL' 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MrR121a 1 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 100 mM 'natural abundance' CaCl2 5 mM 'natural abundance' NaCl 200 mM 'natural abundance' MES 20 mM 'natural abundance' PEG 4.11 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; isotropic solution 0.02% NaN3, 100 mM DTT, 5 mM CaCl2, 200 mM NaCl, 20 mM MES pH 6.5 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions2 _Saveframe_category sample_conditions _Details ; Pf1 Phage alignment 0.02% NaN3, 100 mM DTT, 5 mM CaCl2, 200 mM NaCl, 20 mM MES pH 6.5, 2.92 mg / mL Phage ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 298 . K stop_ save_ save_sample_conditions3 _Saveframe_category sample_conditions _Details ; PEG alignment 0.02% NaN3, 100 mM DTT, 5 mM CaCl2, 200 mM NaCl, 20 mM MES pH 6.5, 4.11% PEG ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D HNCACB' '3D HNCO' '2D 1H-1H 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 MrR121a _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 PRO HA H 4.3100 0.05 1 2 6 6 PRO HB2 H 2.7080 0.05 2 3 6 6 PRO HB3 H 2.6260 0.05 2 4 6 6 PRO HD2 H 4.2390 0.05 2 5 6 6 PRO HD3 H 3.7010 0.05 2 6 6 6 PRO HG2 H 2.4830 0.05 2 7 6 6 PRO HG3 H 2.2950 0.05 2 8 6 6 PRO C C 177.5830 0.30 1 9 6 6 PRO CA C 65.4550 0.30 1 10 6 6 PRO CB C 31.2310 0.30 1 11 6 6 PRO CD C 51.0160 0.30 1 12 6 6 PRO CG C 27.5310 0.30 1 13 7 7 GLU H H 8.0580 0.05 1 14 7 7 GLU HA H 4.3140 0.05 1 15 7 7 GLU C C 178.8140 0.30 1 16 7 7 GLU CA C 58.5770 0.30 1 17 7 7 GLU CB C 29.8060 0.30 1 18 7 7 GLU N N 116.3930 0.50 1 19 8 8 GLU H H 7.4580 0.05 1 20 8 8 GLU HA H 4.0290 0.05 1 21 8 8 GLU C C 179.7940 0.30 1 22 8 8 GLU CA C 59.3690 0.30 1 23 8 8 GLU CB C 29.4550 0.30 1 24 8 8 GLU N N 117.8870 0.50 1 25 9 9 TYR H H 6.8890 0.05 1 26 9 9 TYR HA H 4.3010 0.05 1 27 9 9 TYR HB2 H 3.3300 0.05 2 28 9 9 TYR HB3 H 2.7090 0.05 2 29 9 9 TYR HD1 H 6.8800 0.05 3 30 9 9 TYR HD2 H 6.8800 0.05 3 31 9 9 TYR HE1 H 6.7140 0.05 3 32 9 9 TYR HE2 H 6.7140 0.05 3 33 9 9 TYR C C 177.7560 0.30 1 34 9 9 TYR CA C 60.7540 0.30 1 35 9 9 TYR CB C 37.3190 0.30 1 36 9 9 TYR N N 117.8760 0.50 1 37 10 10 TYR H H 8.1380 0.05 1 38 10 10 TYR HA H 4.0180 0.05 1 39 10 10 TYR HB2 H 3.1570 0.05 2 40 10 10 TYR HB3 H 2.8370 0.05 2 41 10 10 TYR HD1 H 7.1120 0.05 3 42 10 10 TYR HD2 H 7.1120 0.05 3 43 10 10 TYR HE1 H 6.6630 0.05 3 44 10 10 TYR HE2 H 6.6630 0.05 3 45 10 10 TYR C C 176.2310 0.30 1 46 10 10 TYR CA C 62.0310 0.30 1 47 10 10 TYR CB C 38.9510 0.30 1 48 10 10 TYR N N 118.8740 0.50 1 49 11 11 LEU H H 8.5970 0.05 1 50 11 11 LEU HA H 3.7970 0.05 1 51 11 11 LEU HB2 H 1.9060 0.05 2 52 11 11 LEU HB3 H 1.5830 0.05 2 53 11 11 LEU HD1 H 0.9630 0.05 2 54 11 11 LEU HD2 H 0.9670 0.05 2 55 11 11 LEU HG H 2.0450 0.05 1 56 11 11 LEU C C 180.2570 0.30 1 57 11 11 LEU CA C 58.2950 0.30 1 58 11 11 LEU CB C 41.5410 0.30 1 59 11 11 LEU CD1 C 25.3210 0.30 2 60 11 11 LEU CD2 C 22.8230 0.30 2 61 11 11 LEU CG C 27.1640 0.30 1 62 11 11 LEU N N 119.2670 0.50 1 63 12 12 GLU H H 7.6400 0.05 1 64 12 12 GLU HA H 4.0330 0.05 1 65 12 12 GLU C C 179.0500 0.30 1 66 12 12 GLU CA C 59.1370 0.30 1 67 12 12 GLU CB C 29.3510 0.30 1 68 12 12 GLU N N 119.4590 0.50 1 69 13 13 GLY H H 8.6240 0.05 1 70 13 13 GLY HA2 H 3.0830 0.05 2 71 13 13 GLY HA3 H 2.8630 0.05 2 72 13 13 GLY C C 175.6510 0.30 1 73 13 13 GLY CA C 48.5920 0.30 1 74 13 13 GLY N N 110.1750 0.50 1 75 14 14 VAL H H 8.7570 0.05 1 76 14 14 VAL HA H 3.5320 0.05 1 77 14 14 VAL HB H 1.9870 0.05 1 78 14 14 VAL HG1 H 0.9100 0.05 2 79 14 14 VAL HG2 H 0.6010 0.05 2 80 14 14 VAL C C 177.1030 0.30 1 81 14 14 VAL CA C 67.6610 0.30 1 82 14 14 VAL CB C 31.4300 0.30 1 83 14 14 VAL CG1 C 21.5700 0.30 2 84 14 14 VAL CG2 C 17.4500 0.30 2 85 14 14 VAL N N 124.3610 0.50 1 86 15 15 LEU H H 7.5550 0.05 1 87 15 15 LEU HA H 4.0890 0.05 1 88 15 15 LEU HB2 H 1.9110 0.05 2 89 15 15 LEU HB3 H 1.5690 0.05 2 90 15 15 LEU HD1 H 0.8930 0.05 2 91 15 15 LEU HD2 H 0.8620 0.05 2 92 15 15 LEU HG H 1.7620 0.05 1 93 15 15 LEU C C 181.3530 0.30 1 94 15 15 LEU CA C 58.7750 0.30 1 95 15 15 LEU CB C 39.8710 0.30 1 96 15 15 LEU CD1 C 25.6220 0.30 2 97 15 15 LEU CD2 C 23.4670 0.30 2 98 15 15 LEU CG C 26.7390 0.30 1 99 15 15 LEU N N 119.9750 0.50 1 100 16 16 GLN H H 7.8780 0.05 1 101 16 16 GLN C C 177.6750 0.30 1 102 16 16 GLN CA C 58.0230 0.30 1 103 16 16 GLN CB C 27.1620 0.30 1 104 16 16 GLN N N 117.1710 0.50 1 105 17 17 TYR H H 9.0440 0.05 1 106 17 17 TYR HA H 3.6370 0.05 1 107 17 17 TYR HB2 H 3.5830 0.05 2 108 17 17 TYR HB3 H 3.1890 0.05 2 109 17 17 TYR HD1 H 7.4220 0.05 3 110 17 17 TYR HD2 H 7.4220 0.05 3 111 17 17 TYR HE1 H 6.7170 0.05 3 112 17 17 TYR HE2 H 6.7170 0.05 3 113 17 17 TYR C C 179.5910 0.30 1 114 17 17 TYR CA C 62.2330 0.30 1 115 17 17 TYR CB C 38.7590 0.30 1 116 17 17 TYR N N 124.1390 0.50 1 117 18 18 ASP H H 9.4080 0.05 1 118 18 18 ASP HA H 4.3920 0.05 1 119 18 18 ASP HB2 H 2.8330 0.05 2 120 18 18 ASP HB3 H 2.6320 0.05 2 121 18 18 ASP C C 177.4320 0.30 1 122 18 18 ASP CA C 57.1550 0.30 1 123 18 18 ASP CB C 39.9010 0.30 1 124 18 18 ASP N N 122.9340 0.50 1 125 19 19 ALA H H 7.2640 0.05 1 126 19 19 ALA HA H 4.2940 0.05 1 127 19 19 ALA HB H 1.3870 0.05 1 128 19 19 ALA C C 177.3360 0.30 1 129 19 19 ALA CA C 52.1710 0.30 1 130 19 19 ALA CB C 18.8700 0.30 1 131 19 19 ALA N N 119.8270 0.50 1 132 20 20 GLY H H 7.6670 0.05 1 133 20 20 GLY HA2 H 3.8440 0.05 2 134 20 20 GLY HA3 H 2.6530 0.05 2 135 20 20 GLY C C 173.4980 0.30 1 136 20 20 GLY CA C 44.0030 0.30 1 137 20 20 GLY N N 106.5740 0.50 1 138 21 21 ASN H H 7.9980 0.05 1 139 21 21 ASN HA H 4.8840 0.05 1 140 21 21 ASN HB2 H 3.0070 0.05 2 141 21 21 ASN HB3 H 2.7630 0.05 2 142 21 21 ASN C C 175.6540 0.30 1 143 21 21 ASN CA C 50.3970 0.30 1 144 21 21 ASN CB C 35.8660 0.30 1 145 21 21 ASN N N 121.8520 0.50 1 146 22 22 TYR H H 7.0240 0.05 1 147 22 22 TYR HA H 4.2030 0.05 1 148 22 22 TYR HB2 H 3.1890 0.05 2 149 22 22 TYR HB3 H 2.7490 0.05 2 150 22 22 TYR HD1 H 7.1090 0.05 3 151 22 22 TYR HD2 H 7.1090 0.05 3 152 22 22 TYR C C 179.6390 0.30 1 153 22 22 TYR CA C 61.7320 0.30 1 154 22 22 TYR CB C 37.8400 0.30 1 155 22 22 TYR N N 119.5540 0.50 1 156 23 23 THR H H 9.0250 0.05 1 157 23 23 THR HA H 3.7420 0.05 1 158 23 23 THR HB H 4.0740 0.05 1 159 23 23 THR HG2 H 1.2000 0.05 1 160 23 23 THR C C 176.3840 0.30 1 161 23 23 THR CA C 67.5280 0.30 1 162 23 23 THR CB C 67.9620 0.30 1 163 23 23 THR CG2 C 22.0990 0.30 1 164 23 23 THR N N 117.3770 0.50 1 165 24 24 GLU H H 8.7620 0.05 1 166 24 24 GLU HA H 3.9590 0.05 1 167 24 24 GLU C C 179.8430 0.30 1 168 24 24 GLU CA C 60.2430 0.30 1 169 24 24 GLU CB C 28.5100 0.30 1 170 24 24 GLU N N 123.2120 0.50 1 171 25 25 SER H H 8.1520 0.05 1 172 25 25 SER HA H 4.0570 0.05 1 173 25 25 SER HB2 H 3.6500 0.05 2 174 25 25 SER C C 174.0170 0.30 1 175 25 25 SER CA C 62.3190 0.30 1 176 25 25 SER CB C 62.3450 0.30 1 177 25 25 SER N N 115.9140 0.50 1 178 26 26 ILE H H 7.5930 0.05 1 179 26 26 ILE HA H 3.5600 0.05 1 180 26 26 ILE HB H 1.8560 0.05 1 181 26 26 ILE HD1 H 0.7810 0.05 1 182 26 26 ILE HG12 H 0.9900 0.05 2 183 26 26 ILE HG2 H 0.8950 0.05 1 184 26 26 ILE C C 176.7880 0.30 1 185 26 26 ILE CA C 66.7130 0.30 1 186 26 26 ILE CB C 36.5190 0.30 1 187 26 26 ILE CD1 C 14.8520 0.30 1 188 26 26 ILE CG1 C 31.6450 0.30 1 189 26 26 ILE CG2 C 17.4090 0.30 1 190 26 26 ILE N N 122.6760 0.50 1 191 27 27 ASP H H 6.9440 0.05 1 192 27 27 ASP HA H 4.2390 0.05 1 193 27 27 ASP HB2 H 2.5800 0.05 2 194 27 27 ASP C C 178.5380 0.30 1 195 27 27 ASP CA C 57.4490 0.30 1 196 27 27 ASP CB C 40.7580 0.30 1 197 27 27 ASP N N 118.0620 0.50 1 198 28 28 LEU H H 6.9710 0.05 1 199 28 28 LEU HA H 3.7760 0.05 1 200 28 28 LEU HB2 H 1.4730 0.05 2 201 28 28 LEU HB3 H 1.3560 0.05 2 202 28 28 LEU HD1 H 0.9580 0.05 2 203 28 28 LEU HD2 H 0.6450 0.05 2 204 28 28 LEU HG H 1.5710 0.05 1 205 28 28 LEU C C 178.7160 0.30 1 206 28 28 LEU CA C 58.1350 0.30 1 207 28 28 LEU CB C 40.4910 0.30 1 208 28 28 LEU CD1 C 23.1400 0.30 2 209 28 28 LEU CD2 C 25.3550 0.30 2 210 28 28 LEU CG C 27.5690 0.30 1 211 28 28 LEU N N 120.2900 0.50 1 212 29 29 PHE H H 8.5200 0.05 1 213 29 29 PHE HA H 4.3240 0.05 1 214 29 29 PHE HB2 H 3.3210 0.05 2 215 29 29 PHE HB3 H 2.7160 0.05 2 216 29 29 PHE C C 178.2840 0.30 1 217 29 29 PHE CA C 59.5480 0.30 1 218 29 29 PHE CB C 37.5760 0.30 1 219 29 29 PHE N N 118.4340 0.50 1 220 30 30 GLU H H 8.7790 0.05 1 221 30 30 GLU HA H 3.7950 0.05 1 222 30 30 GLU C C 178.9660 0.30 1 223 30 30 GLU CA C 59.4520 0.30 1 224 30 30 GLU CB C 29.0490 0.30 1 225 30 30 GLU N N 117.5480 0.50 1 226 31 31 LYS H H 7.3180 0.05 1 227 31 31 LYS HA H 3.6680 0.05 1 228 31 31 LYS HB2 H 1.2570 0.05 2 229 31 31 LYS HB3 H 0.7130 0.05 2 230 31 31 LYS HD2 H 1.0900 0.05 2 231 31 31 LYS HD3 H 1.1310 0.05 2 232 31 31 LYS HE2 H 2.6430 0.05 2 233 31 31 LYS HE3 H 2.6480 0.05 2 234 31 31 LYS HG2 H 0.9990 0.05 2 235 31 31 LYS C C 178.6650 0.30 1 236 31 31 LYS CA C 59.4010 0.30 1 237 31 31 LYS CB C 31.1130 0.30 1 238 31 31 LYS CD C 29.0790 0.30 1 239 31 31 LYS CE C 42.0210 0.30 1 240 31 31 LYS N N 120.4100 0.50 1 241 32 32 ALA H H 7.3110 0.05 1 242 32 32 ALA HA H 3.8590 0.05 1 243 32 32 ALA HB H 0.8100 0.05 1 244 32 32 ALA C C 178.3840 0.30 1 245 32 32 ALA CA C 54.6970 0.30 1 246 32 32 ALA CB C 15.9990 0.30 1 247 32 32 ALA N N 121.2770 0.50 1 248 33 33 ILE H H 8.1140 0.05 1 249 33 33 ILE HA H 3.4690 0.05 1 250 33 33 ILE HB H 1.3970 0.05 1 251 33 33 ILE HD1 H -0.6000 0.05 1 252 33 33 ILE HG12 H 1.4890 0.05 2 253 33 33 ILE HG13 H 0.1090 0.05 2 254 33 33 ILE HG2 H 0.4230 0.05 1 255 33 33 ILE C C 176.9700 0.30 1 256 33 33 ILE CA C 64.8570 0.30 1 257 33 33 ILE CB C 38.6690 0.30 1 258 33 33 ILE CD1 C 12.5010 0.30 1 259 33 33 ILE CG1 C 31.6630 0.30 1 260 33 33 ILE CG2 C 17.7310 0.30 1 261 33 33 ILE N N 118.9050 0.50 1 262 34 34 GLN H H 7.7900 0.05 1 263 34 34 GLN HA H 3.8530 0.05 1 264 34 34 GLN HB2 H 2.4500 0.05 2 265 34 34 GLN HB3 H 2.3730 0.05 2 266 34 34 GLN C C 178.3200 0.30 1 267 34 34 GLN CA C 57.6960 0.30 1 268 34 34 GLN CB C 28.4570 0.30 1 269 34 34 GLN N N 115.4050 0.50 1 270 35 35 LEU H H 7.0920 0.05 1 271 35 35 LEU HA H 4.3540 0.05 1 272 35 35 LEU HB2 H 2.0180 0.05 2 273 35 35 LEU HB3 H 1.5790 0.05 2 274 35 35 LEU HD1 H 0.9460 0.05 2 275 35 35 LEU HD2 H 0.9520 0.05 2 276 35 35 LEU HG H 1.8550 0.05 1 277 35 35 LEU C C 177.8410 0.30 1 278 35 35 LEU CA C 56.2730 0.30 1 279 35 35 LEU CB C 43.4900 0.30 1 280 35 35 LEU CD1 C 26.4310 0.30 2 281 35 35 LEU CD2 C 22.4320 0.30 2 282 35 35 LEU CG C 26.7790 0.30 1 283 35 35 LEU N N 116.6780 0.50 1 284 36 36 ASP H H 8.3670 0.05 1 285 36 36 ASP CA C 52.1380 0.30 1 286 36 36 ASP CB C 41.5490 0.30 1 287 36 36 ASP N N 117.6820 0.50 1 288 37 37 PRO HA H 4.9400 0.05 1 289 37 37 PRO HB2 H 2.5730 0.05 2 290 37 37 PRO HB3 H 2.4270 0.05 2 291 37 37 PRO HD2 H 4.0350 0.05 2 292 37 37 PRO HD3 H 3.6550 0.05 2 293 37 37 PRO HG2 H 2.2320 0.05 2 294 37 37 PRO HG3 H 2.0850 0.05 2 295 37 37 PRO C C 178.0880 0.30 1 296 37 37 PRO CA C 64.2720 0.30 1 297 37 37 PRO CB C 32.1550 0.30 1 298 37 37 PRO CD C 50.0280 0.30 1 299 37 37 PRO CG C 26.7650 0.30 1 300 38 38 GLU H H 7.8530 0.05 1 301 38 38 GLU HA H 4.4360 0.05 1 302 38 38 GLU HB2 H 2.3720 0.05 2 303 38 38 GLU C C 174.8740 0.30 1 304 38 38 GLU CA C 56.2000 0.30 1 305 38 38 GLU CB C 29.5890 0.30 1 306 38 38 GLU N N 116.9330 0.50 1 307 39 39 GLU H H 6.9920 0.05 1 308 39 39 GLU HA H 4.3130 0.05 1 309 39 39 GLU C C 176.0820 0.30 1 310 39 39 GLU CA C 54.5910 0.30 1 311 39 39 GLU CB C 29.1770 0.30 1 312 39 39 GLU N N 119.9000 0.50 1 313 40 40 SER H H 8.4580 0.05 1 314 40 40 SER HA H 4.1030 0.05 1 315 40 40 SER HB2 H 3.8000 0.05 2 316 40 40 SER C C 176.3230 0.30 1 317 40 40 SER CA C 61.9290 0.30 1 318 40 40 SER CB C 63.2320 0.30 1 319 40 40 SER N N 125.6190 0.50 1 320 41 41 LYS H H 9.2480 0.05 1 321 41 41 LYS HA H 4.0680 0.05 1 322 41 41 LYS HB2 H 1.9100 0.05 2 323 41 41 LYS HB3 H 1.5510 0.05 2 324 41 41 LYS C C 177.5200 0.30 1 325 41 41 LYS CA C 59.2590 0.30 1 326 41 41 LYS CB C 31.1610 0.30 1 327 41 41 LYS N N 119.1200 0.50 1 328 42 42 TYR H H 6.9240 0.05 1 329 42 42 TYR HA H 4.3010 0.05 1 330 42 42 TYR HB2 H 3.0900 0.05 2 331 42 42 TYR HB3 H 2.9400 0.05 2 332 42 42 TYR HD1 H 6.8410 0.05 3 333 42 42 TYR HD2 H 6.8410 0.05 3 334 42 42 TYR C C 177.2690 0.30 1 335 42 42 TYR CA C 57.6030 0.30 1 336 42 42 TYR CB C 37.0630 0.30 1 337 42 42 TYR N N 118.6660 0.50 1 338 43 43 TRP H H 6.6620 0.05 1 339 43 43 TRP HA H 3.9100 0.05 1 340 43 43 TRP HB2 H 3.2610 0.05 2 341 43 43 TRP HB3 H 3.1030 0.05 2 342 43 43 TRP HD1 H 7.2370 0.05 1 343 43 43 TRP HE1 H 10.2680 0.05 1 344 43 43 TRP C C 178.8230 0.30 1 345 43 43 TRP CA C 59.9530 0.30 1 346 43 43 TRP CB C 30.7590 0.30 1 347 43 43 TRP N N 118.9900 0.50 1 348 43 43 TRP NE1 N 131.282 0.50 1 349 44 44 LEU H H 8.4120 0.05 1 350 44 44 LEU HA H 4.1120 0.05 1 351 44 44 LEU HB2 H 1.9250 0.05 2 352 44 44 LEU HB3 H 1.4070 0.05 2 353 44 44 LEU HD1 H 0.8490 0.05 2 354 44 44 LEU HD2 H 0.7160 0.05 2 355 44 44 LEU HG H 1.4150 0.05 1 356 44 44 LEU C C 177.7580 0.30 1 357 44 44 LEU CA C 58.6130 0.30 1 358 44 44 LEU CB C 42.0040 0.30 1 359 44 44 LEU CD1 C 26.2440 0.30 2 360 44 44 LEU CD2 C 23.3320 0.30 2 361 44 44 LEU CG C 27.3840 0.30 1 362 44 44 LEU N N 118.9700 0.50 1 363 45 45 MET H H 7.4030 0.05 1 364 45 45 MET HA H 4.2700 0.05 1 365 45 45 MET C C 177.7490 0.30 1 366 45 45 MET CA C 55.1590 0.30 1 367 45 45 MET CB C 26.9250 0.30 1 368 45 45 MET N N 113.6180 0.50 1 369 46 46 LYS H H 7.6230 0.05 1 370 46 46 LYS HA H 3.9060 0.05 1 371 46 46 LYS C C 178.0560 0.30 1 372 46 46 LYS CA C 61.3940 0.30 1 373 46 46 LYS CB C 32.4420 0.30 1 374 46 46 LYS N N 119.8400 0.50 1 375 47 47 GLY H H 8.4950 0.05 1 376 47 47 GLY HA2 H 3.7300 0.05 2 377 47 47 GLY HA3 H 3.6120 0.05 2 378 47 47 GLY C C 175.3400 0.30 1 379 47 47 GLY CA C 47.6890 0.30 1 380 47 47 GLY N N 105.7410 0.50 1 381 48 48 LYS H H 8.7600 0.05 1 382 48 48 LYS HA H 3.9690 0.05 1 383 48 48 LYS HB2 H 2.2700 0.05 2 384 48 48 LYS HB3 H 1.8420 0.05 2 385 48 48 LYS HD2 H 1.5810 0.05 2 386 48 48 LYS HE2 H 2.8210 0.05 2 387 48 48 LYS HE3 H 2.8350 0.05 2 388 48 48 LYS HG2 H 1.7850 0.05 2 389 48 48 LYS HG3 H 1.4160 0.05 2 390 48 48 LYS C C 180.4250 0.30 1 391 48 48 LYS CA C 60.5060 0.30 1 392 48 48 LYS CB C 30.9640 0.30 1 393 48 48 LYS CE C 41.4760 0.30 1 394 48 48 LYS CG C 25.9210 0.30 1 395 48 48 LYS N N 122.5680 0.50 1 396 49 49 ALA H H 8.6680 0.05 1 397 49 49 ALA HA H 4.0840 0.05 1 398 49 49 ALA HB H 1.4320 0.05 1 399 49 49 ALA C C 178.8700 0.30 1 400 49 49 ALA CA C 55.7770 0.30 1 401 49 49 ALA CB C 17.7020 0.30 1 402 49 49 ALA N N 124.4840 0.50 1 403 50 50 LEU H H 8.1920 0.05 1 404 50 50 LEU HA H 3.7710 0.05 1 405 50 50 LEU HB2 H 2.1030 0.05 2 406 50 50 LEU HB3 H 1.5980 0.05 2 407 50 50 LEU HD1 H 0.7380 0.05 2 408 50 50 LEU HD2 H 0.7350 0.05 2 409 50 50 LEU HG H 1.7410 0.05 1 410 50 50 LEU C C 179.8390 0.30 1 411 50 50 LEU CA C 58.7270 0.30 1 412 50 50 LEU CB C 40.5490 0.30 1 413 50 50 LEU CD1 C 27.1930 0.30 2 414 50 50 LEU CD2 C 23.4650 0.30 2 415 50 50 LEU CG C 26.8090 0.30 1 416 50 50 LEU N N 118.8430 0.50 1 417 51 51 TYR H H 9.2820 0.05 1 418 51 51 TYR HA H 3.5570 0.05 1 419 51 51 TYR HB2 H 3.5370 0.05 2 420 51 51 TYR HB3 H 3.0720 0.05 2 421 51 51 TYR HD1 H 7.1380 0.05 3 422 51 51 TYR HD2 H 7.1380 0.05 3 423 51 51 TYR HE1 H 6.8620 0.05 3 424 51 51 TYR HE2 H 6.8620 0.05 3 425 51 51 TYR C C 179.1770 0.30 1 426 51 51 TYR CA C 61.8780 0.30 1 427 51 51 TYR CB C 38.2490 0.30 1 428 51 51 TYR N N 122.7190 0.50 1 429 52 52 ASN H H 7.8820 0.05 1 430 52 52 ASN HA H 4.0840 0.05 1 431 52 52 ASN HB2 H 1.8180 0.05 2 432 52 52 ASN HB3 H 1.6890 0.05 2 433 52 52 ASN C C 175.6150 0.30 1 434 52 52 ASN CA C 55.9640 0.30 1 435 52 52 ASN CB C 37.2190 0.30 1 436 52 52 ASN N N 120.3270 0.50 1 437 53 53 LEU H H 7.1780 0.05 1 438 53 53 LEU HA H 4.2990 0.05 1 439 53 53 LEU HB2 H 1.6350 0.05 2 440 53 53 LEU HB3 H 1.6460 0.05 2 441 53 53 LEU HD1 H 1.0020 0.05 2 442 53 53 LEU HD2 H 0.7680 0.05 2 443 53 53 LEU HG H 1.5980 0.05 1 444 53 53 LEU C C 175.0950 0.30 1 445 53 53 LEU CA C 54.1120 0.30 1 446 53 53 LEU CB C 42.5480 0.30 1 447 53 53 LEU CD1 C 22.3360 0.30 2 448 53 53 LEU CD2 C 26.6040 0.30 2 449 53 53 LEU CG C 26.0000 0.30 1 450 53 53 LEU N N 119.8270 0.50 1 451 54 54 GLU H H 7.5150 0.05 1 452 54 54 GLU C C 175.1180 0.30 1 453 54 54 GLU CA C 56.8110 0.30 1 454 54 54 GLU CB C 25.9440 0.30 1 455 54 54 GLU N N 112.7990 0.50 1 456 55 55 ARG H H 7.7190 0.05 1 457 55 55 ARG HA H 4.4070 0.05 1 458 55 55 ARG HB2 H 1.2520 0.05 2 459 55 55 ARG HB3 H 0.9070 0.05 2 460 55 55 ARG HD2 H 3.2430 0.05 2 461 55 55 ARG HD3 H 2.7510 0.05 2 462 55 55 ARG HG2 H 1.4950 0.05 2 463 55 55 ARG HG3 H 1.7650 0.05 2 464 55 55 ARG C C 176.8200 0.30 1 465 55 55 ARG CA C 54.4930 0.30 1 466 55 55 ARG CB C 29.0410 0.30 1 467 55 55 ARG CD C 44.8420 0.30 1 468 55 55 ARG CG C 25.3010 0.30 1 469 55 55 ARG N N 122.3690 0.50 1 470 56 56 TYR H H 6.4030 0.05 1 471 56 56 TYR HA H 3.8790 0.05 1 472 56 56 TYR HB2 H 3.3050 0.05 2 473 56 56 TYR HB3 H 2.6770 0.05 2 474 56 56 TYR HD1 H 6.9780 0.05 3 475 56 56 TYR HD2 H 6.9780 0.05 3 476 56 56 TYR HE1 H 6.2920 0.05 3 477 56 56 TYR HE2 H 6.2920 0.05 3 478 56 56 TYR C C 177.8790 0.30 1 479 56 56 TYR CA C 62.0800 0.30 1 480 56 56 TYR CB C 38.4430 0.30 1 481 56 56 TYR N N 117.1280 0.50 1 482 57 57 GLU H H 9.0320 0.05 1 483 57 57 GLU HA H 3.8650 0.05 1 484 57 57 GLU C C 179.4170 0.30 1 485 57 57 GLU CA C 60.7220 0.30 1 486 57 57 GLU CB C 29.1240 0.30 1 487 57 57 GLU N N 118.9810 0.50 1 488 58 58 GLU H H 8.2860 0.05 1 489 58 58 GLU HA H 4.0500 0.05 1 490 58 58 GLU C C 179.4760 0.30 1 491 58 58 GLU CA C 59.2890 0.30 1 492 58 58 GLU CB C 31.2340 0.30 1 493 58 58 GLU N N 119.1230 0.50 1 494 59 59 ALA H H 8.1310 0.05 1 495 59 59 ALA HA H 3.7860 0.05 1 496 59 59 ALA HB H 1.5460 0.05 1 497 59 59 ALA C C 178.2810 0.30 1 498 59 59 ALA CA C 56.3240 0.30 1 499 59 59 ALA CB C 17.4440 0.30 1 500 59 59 ALA N N 124.0090 0.50 1 501 60 60 VAL H H 8.0790 0.05 1 502 60 60 VAL HA H 3.4390 0.05 1 503 60 60 VAL HB H 2.2680 0.05 1 504 60 60 VAL HG1 H 1.1860 0.05 2 505 60 60 VAL HG2 H 0.9830 0.05 2 506 60 60 VAL C C 177.3230 0.30 1 507 60 60 VAL CA C 67.4100 0.30 1 508 60 60 VAL CB C 31.2590 0.30 1 509 60 60 VAL CG1 C 25.2640 0.30 2 510 60 60 VAL CG2 C 22.2000 0.30 2 511 60 60 VAL N N 116.6470 0.50 1 512 61 61 ASP H H 7.7370 0.05 1 513 61 61 ASP HA H 4.4460 0.05 1 514 61 61 ASP HB2 H 2.8980 0.05 2 515 61 61 ASP HB3 H 2.6910 0.05 2 516 61 61 ASP C C 179.9860 0.30 1 517 61 61 ASP CA C 58.1230 0.30 1 518 61 61 ASP CB C 40.1600 0.30 1 519 61 61 ASP N N 119.2760 0.50 1 520 62 62 CYS H H 7.3870 0.05 1 521 62 62 CYS HA H 4.3370 0.05 1 522 62 62 CYS HB2 H 3.2090 0.05 2 523 62 62 CYS HB3 H 3.0660 0.05 2 524 62 62 CYS C C 176.2760 0.30 1 525 62 62 CYS CA C 63.5850 0.30 1 526 62 62 CYS CB C 26.4410 0.30 1 527 62 62 CYS N N 118.7940 0.50 1 528 63 63 TYR H H 7.3910 0.05 1 529 63 63 TYR HA H 4.2490 0.05 1 530 63 63 TYR HB2 H 2.9030 0.05 2 531 63 63 TYR HB3 H 2.6930 0.05 2 532 63 63 TYR HD1 H 6.5930 0.05 3 533 63 63 TYR HD2 H 6.5930 0.05 3 534 63 63 TYR C C 178.1130 0.30 1 535 63 63 TYR CA C 57.9940 0.30 1 536 63 63 TYR CB C 36.2880 0.30 1 537 63 63 TYR N N 119.7750 0.50 1 538 64 64 ASN H H 9.1210 0.05 1 539 64 64 ASN HA H 4.3280 0.05 1 540 64 64 ASN HB2 H 2.8450 0.05 2 541 64 64 ASN HB3 H 2.6730 0.05 2 542 64 64 ASN C C 177.3460 0.30 1 543 64 64 ASN CA C 54.8090 0.30 1 544 64 64 ASN CB C 36.9040 0.30 1 545 64 64 ASN N N 117.3430 0.50 1 546 65 65 TYR H H 7.6350 0.05 1 547 65 65 TYR HA H 3.6600 0.05 1 548 65 65 TYR HB2 H 2.3940 0.05 2 549 65 65 TYR HB3 H 2.2820 0.05 2 550 65 65 TYR HD1 H 5.8940 0.05 3 551 65 65 TYR HD2 H 5.8940 0.05 3 552 65 65 TYR HE1 H 6.5660 0.05 3 553 65 65 TYR HE2 H 6.5660 0.05 3 554 65 65 TYR C C 178.5990 0.30 1 555 65 65 TYR CA C 62.2670 0.30 1 556 65 65 TYR CB C 37.8860 0.30 1 557 65 65 TYR N N 124.1810 0.50 1 558 66 66 VAL H H 7.0930 0.05 1 559 66 66 VAL HA H 3.3160 0.05 1 560 66 66 VAL HB H 2.7060 0.05 1 561 66 66 VAL HG1 H 1.2140 0.05 2 562 66 66 VAL HG2 H 1.1100 0.05 2 563 66 66 VAL C C 177.0700 0.30 1 564 66 66 VAL CA C 65.9440 0.30 1 565 66 66 VAL CB C 31.6130 0.30 1 566 66 66 VAL CG1 C 23.5920 0.30 2 567 66 66 VAL CG2 C 22.1490 0.30 2 568 66 66 VAL N N 119.2470 0.50 1 569 67 67 ILE H H 7.6400 0.05 1 570 67 67 ILE HA H 3.0560 0.05 1 571 67 67 ILE HB H 1.1990 0.05 1 572 67 67 ILE HD1 H -0.4780 0.05 1 573 67 67 ILE HG12 H 1.0320 0.05 2 574 67 67 ILE HG13 H 0.2050 0.05 2 575 67 67 ILE HG2 H 0.7060 0.05 1 576 67 67 ILE C C 176.8220 0.30 1 577 67 67 ILE CA C 64.9020 0.30 1 578 67 67 ILE CB C 39.4440 0.30 1 579 67 67 ILE CD1 C 12.4140 0.30 1 580 67 67 ILE CG1 C 29.1100 0.30 1 581 67 67 ILE CG2 C 17.8570 0.30 1 582 67 67 ILE N N 117.8140 0.50 1 583 68 68 ASN H H 8.5870 0.05 1 584 68 68 ASN HA H 4.5640 0.05 1 585 68 68 ASN HB2 H 2.7040 0.05 2 586 68 68 ASN HB3 H 2.6030 0.05 2 587 68 68 ASN C C 176.0070 0.30 1 588 68 68 ASN CA C 54.5690 0.30 1 589 68 68 ASN CB C 39.4240 0.30 1 590 68 68 ASN N N 112.6920 0.50 1 591 69 69 VAL H H 7.6070 0.05 1 592 69 69 VAL HA H 3.8130 0.05 1 593 69 69 VAL HG1 H 0.4500 0.05 2 594 69 69 VAL HG2 H 0.4500 0.05 2 595 69 69 VAL C C 177.4900 0.30 1 596 69 69 VAL CA C 64.7630 0.30 1 597 69 69 VAL CB C 30.8040 0.30 1 598 69 69 VAL CG1 C 21.1410 0.30 2 599 69 69 VAL CG2 C 21.1410 0.30 2 600 69 69 VAL N N 119.5690 0.50 1 601 70 70 ILE H H 7.4890 0.05 1 602 70 70 ILE HA H 3.6350 0.05 1 603 70 70 ILE HB H 2.2390 0.05 1 604 70 70 ILE HD1 H 0.9510 0.05 1 605 70 70 ILE HG12 H 1.5100 0.05 2 606 70 70 ILE HG13 H 0.9480 0.05 2 607 70 70 ILE HG2 H 1.0100 0.05 1 608 70 70 ILE C C 176.5230 0.30 1 609 70 70 ILE CA C 64.0900 0.30 1 610 70 70 ILE CB C 37.0260 0.30 1 611 70 70 ILE CD1 C 13.5800 0.30 1 612 70 70 ILE CG1 C 29.7250 0.30 1 613 70 70 ILE CG2 C 17.5340 0.30 1 614 70 70 ILE N N 119.2760 0.50 1 615 71 71 GLU H H 6.6410 0.05 1 616 71 71 GLU HA H 3.8650 0.05 1 617 71 71 GLU HB2 H 2.2630 0.05 2 618 71 71 GLU HB3 H 2.1770 0.05 2 619 71 71 GLU HG2 H 1.8640 0.05 2 620 71 71 GLU C C 176.4150 0.30 1 621 71 71 GLU CA C 57.2290 0.30 1 622 71 71 GLU CB C 26.1420 0.30 1 623 71 71 GLU CG C 37.0410 0.30 1 624 71 71 GLU N N 110.1790 0.50 1 625 72 72 ASP H H 7.7440 0.05 1 626 72 72 ASP HA H 4.8130 0.05 1 627 72 72 ASP HB2 H 2.7950 0.05 2 628 72 72 ASP HB3 H 2.3170 0.05 2 629 72 72 ASP C C 176.2300 0.30 1 630 72 72 ASP CA C 52.2030 0.30 1 631 72 72 ASP CB C 39.2560 0.30 1 632 72 72 ASP N N 121.7330 0.50 1 633 73 73 GLU H H 7.5100 0.05 1 634 73 73 GLU HA H 3.9460 0.05 1 635 73 73 GLU HB2 H 1.8670 0.05 2 636 73 73 GLU HB3 H 1.6480 0.05 2 637 73 73 GLU HG2 H 1.7930 0.05 2 638 73 73 GLU HG3 H 1.5350 0.05 2 639 73 73 GLU C C 176.7450 0.30 1 640 73 73 GLU CA C 58.3030 0.30 1 641 73 73 GLU CB C 30.6640 0.30 1 642 73 73 GLU CG C 35.6560 0.30 1 643 73 73 GLU N N 116.7240 0.50 1 644 74 74 TYR H H 8.7940 0.05 1 645 74 74 TYR HA H 4.8750 0.05 1 646 74 74 TYR HB2 H 3.3360 0.05 2 647 74 74 TYR HB3 H 2.7210 0.05 2 648 74 74 TYR HD1 H 7.0300 0.05 3 649 74 74 TYR HD2 H 7.0300 0.05 3 650 74 74 TYR HE1 H 6.6690 0.05 3 651 74 74 TYR HE2 H 6.6690 0.05 3 652 74 74 TYR C C 174.8790 0.30 1 653 74 74 TYR CA C 56.7320 0.30 1 654 74 74 TYR CB C 37.0690 0.30 1 655 74 74 TYR N N 120.0800 0.50 1 656 75 75 ASN H H 7.2370 0.05 1 657 75 75 ASN HA H 4.6010 0.05 1 658 75 75 ASN HB2 H 2.8520 0.05 2 659 75 75 ASN HB3 H 2.6160 0.05 2 660 75 75 ASN C C 175.1460 0.30 1 661 75 75 ASN CA C 53.1240 0.30 1 662 75 75 ASN CB C 37.7550 0.30 1 663 75 75 ASN N N 118.6650 0.50 1 664 76 76 LYS H H 8.6720 0.05 1 665 76 76 LYS HA H 4.0770 0.05 1 666 76 76 LYS HD2 H 1.9370 0.05 2 667 76 76 LYS HD3 H 1.9340 0.05 2 668 76 76 LYS HE2 H 3.0080 0.05 2 669 76 76 LYS HE3 H 3.0030 0.05 2 670 76 76 LYS HG2 H 1.6430 0.05 2 671 76 76 LYS HG3 H 1.5340 0.05 2 672 76 76 LYS C C 177.7730 0.30 1 673 76 76 LYS CA C 60.0600 0.30 1 674 76 76 LYS CB C 37.8270 0.30 1 675 76 76 LYS CD C 32.3510 0.30 1 676 76 76 LYS CE C 42.0180 0.30 1 677 76 76 LYS CG C 24.8420 0.30 1 678 76 76 LYS N N 127.8680 0.50 1 679 77 77 ASP H H 7.9460 0.05 1 680 77 77 ASP HA H 4.4140 0.05 1 681 77 77 ASP HB2 H 2.7030 0.05 2 682 77 77 ASP HB3 H 2.5200 0.05 2 683 77 77 ASP C C 179.2650 0.30 1 684 77 77 ASP CA C 57.1270 0.30 1 685 77 77 ASP CB C 40.6340 0.30 1 686 77 77 ASP N N 117.8830 0.50 1 687 78 78 VAL H H 7.6530 0.05 1 688 78 78 VAL HA H 3.2820 0.05 1 689 78 78 VAL HB H 1.8050 0.05 1 690 78 78 VAL HG1 H 0.8890 0.05 2 691 78 78 VAL HG2 H 0.5850 0.05 2 692 78 78 VAL C C 176.6240 0.30 1 693 78 78 VAL CA C 65.5310 0.30 1 694 78 78 VAL CB C 31.2900 0.30 1 695 78 78 VAL CG1 C 23.5900 0.30 2 696 78 78 VAL CG2 C 20.9730 0.30 2 697 78 78 VAL N N 121.2590 0.50 1 698 79 79 TRP H H 7.6260 0.05 1 699 79 79 TRP HA H 4.1070 0.05 1 700 79 79 TRP HB2 H 3.4510 0.05 2 701 79 79 TRP HB3 H 2.8480 0.05 2 702 79 79 TRP HD1 H 6.9140 0.05 1 703 79 79 TRP HE1 H 10.1420 0.05 1 704 79 79 TRP C C 177.9320 0.30 1 705 79 79 TRP CA C 61.4910 0.30 1 706 79 79 TRP CB C 28.6650 0.30 1 707 79 79 TRP N N 120.3880 0.50 1 708 79 79 TRP NE1 N 128.5240 0.50 1 709 80 80 ALA H H 8.2960 0.05 1 710 80 80 ALA HA H 3.8980 0.05 1 711 80 80 ALA HB H 1.4340 0.05 1 712 80 80 ALA C C 176.5560 0.30 1 713 80 80 ALA CA C 55.1580 0.30 1 714 80 80 ALA CB C 18.1550 0.30 1 715 80 80 ALA N N 120.4530 0.50 1 716 81 81 ALA H H 7.4050 0.05 1 717 81 81 ALA HA H 3.8370 0.05 1 718 81 81 ALA HB H 0.8440 0.05 1 719 81 81 ALA C C 180.6460 0.30 1 720 81 81 ALA CA C 55.0280 0.30 1 721 81 81 ALA CB C 15.6490 0.30 1 722 81 81 ALA N N 120.9150 0.50 1 723 82 82 LYS H H 8.2440 0.05 1 724 82 82 LYS HA H 3.8530 0.05 1 725 82 82 LYS HB2 H 1.9940 0.05 2 726 82 82 LYS HB3 H 1.4770 0.05 2 727 82 82 LYS HD2 H 1.4240 0.05 2 728 82 82 LYS HD3 H 1.4130 0.05 2 729 82 82 LYS HE2 H 3.0450 0.05 2 730 82 82 LYS HE3 H 2.9580 0.05 2 731 82 82 LYS HG2 H 1.3560 0.05 2 732 82 82 LYS HG3 H 1.3660 0.05 2 733 82 82 LYS C C 177.1760 0.30 1 734 82 82 LYS CA C 60.5770 0.30 1 735 82 82 LYS CB C 32.2430 0.30 1 736 82 82 LYS CD C 26.4340 0.30 1 737 82 82 LYS CE C 42.4790 0.30 1 738 82 82 LYS N N 121.9790 0.50 1 739 83 83 ALA H H 8.4220 0.05 1 740 83 83 ALA HA H 3.8940 0.05 1 741 83 83 ALA HB H 1.5120 0.05 1 742 83 83 ALA C C 178.7460 0.30 1 743 83 83 ALA CA C 56.2680 0.30 1 744 83 83 ALA CB C 17.7000 0.30 1 745 83 83 ALA N N 121.4190 0.50 1 746 84 84 ASP H H 7.4810 0.05 1 747 84 84 ASP HA H 4.3770 0.05 1 748 84 84 ASP C C 178.3940 0.30 1 749 84 84 ASP CA C 56.9460 0.30 1 750 84 84 ASP CB C 40.3510 0.30 1 751 84 84 ASP N N 114.6930 0.50 1 752 85 85 ALA H H 7.6800 0.05 1 753 85 85 ALA HA H 4.5210 0.05 1 754 85 85 ALA HB H 1.9350 0.05 1 755 85 85 ALA C C 179.1000 0.30 1 756 85 85 ALA CA C 55.8190 0.30 1 757 85 85 ALA CB C 19.2570 0.30 1 758 85 85 ALA N N 119.1050 0.50 1 759 86 86 LEU H H 8.5160 0.05 1 760 86 86 LEU HA H 3.9190 0.05 1 761 86 86 LEU HB2 H 1.9260 0.05 2 762 86 86 LEU HB3 H 1.4080 0.05 2 763 86 86 LEU HD1 H 0.9920 0.05 2 764 86 86 LEU HD2 H 0.7970 0.05 2 765 86 86 LEU HG H 1.9540 0.05 1 766 86 86 LEU C C 178.7670 0.30 1 767 86 86 LEU CA C 48.8920 0.30 1 768 86 86 LEU CB C 43.0110 0.30 1 769 86 86 LEU CD1 C 23.3220 0.30 2 770 86 86 LEU CD2 C 27.3980 0.30 2 771 86 86 LEU CG C 26.5640 0.30 1 772 86 86 LEU N N 115.2080 0.50 1 773 87 87 ARG H H 7.3290 0.05 1 774 87 87 ARG HA H 3.8510 0.05 1 775 87 87 ARG HB2 H 1.7490 0.05 2 776 87 87 ARG HB3 H 1.5500 0.05 2 777 87 87 ARG HD2 H 3.0710 0.05 2 778 87 87 ARG HD3 H 3.0670 0.05 2 779 87 87 ARG HG2 H 1.7180 0.05 2 780 87 87 ARG HG3 H 1.5200 0.05 2 781 87 87 ARG C C 176.8000 0.30 1 782 87 87 ARG CA C 58.3150 0.30 1 783 87 87 ARG CB C 27.5140 0.30 1 784 87 87 ARG CD C 43.2900 0.30 1 785 87 87 ARG CG C 30.0290 0.30 1 786 87 87 ARG N N 115.2270 0.50 1 787 88 88 TYR H H 7.2010 0.05 1 788 88 88 TYR HA H 4.1930 0.05 1 789 88 88 TYR HB2 H 2.5760 0.05 2 790 88 88 TYR HB3 H 1.5710 0.05 2 791 88 88 TYR HD1 H 7.0020 0.05 3 792 88 88 TYR HD2 H 7.0020 0.05 3 793 88 88 TYR HE1 H 6.1610 0.05 3 794 88 88 TYR HE2 H 6.1610 0.05 3 795 88 88 TYR C C 174.9580 0.30 1 796 88 88 TYR CA C 58.4630 0.30 1 797 88 88 TYR CB C 38.4570 0.30 1 798 88 88 TYR N N 115.5580 0.50 1 799 89 89 ILE H H 7.3740 0.05 1 800 89 89 ILE HA H 4.1750 0.05 1 801 89 89 ILE HB H 1.7420 0.05 1 802 89 89 ILE HD1 H 0.8180 0.05 1 803 89 89 ILE HG12 H 0.9690 0.05 2 804 89 89 ILE HG2 H 0.9490 0.05 1 805 89 89 ILE C C 174.9000 0.30 1 806 89 89 ILE CA C 60.9780 0.30 1 807 89 89 ILE CB C 38.9450 0.30 1 808 89 89 ILE CD1 C 14.3690 0.30 1 809 89 89 ILE CG1 C 27.0820 0.30 1 810 89 89 ILE CG2 C 17.8300 0.30 1 811 89 89 ILE N N 122.1200 0.50 1 812 90 90 GLU H H 8.6550 0.05 1 813 90 90 GLU HA H 4.1590 0.05 1 814 90 90 GLU HB2 H 2.0050 0.05 2 815 90 90 GLU CA C 57.9140 0.30 1 816 90 90 GLU CB C 29.8940 0.30 1 817 90 90 GLU N N 128.4170 0.50 1 818 91 91 GLY H H 9.0890 0.05 1 819 91 91 GLY HA2 H 4.2930 0.05 2 820 91 91 GLY HA3 H 4.0390 0.05 2 821 91 91 GLY CA C 45.7560 0.30 1 822 91 91 GLY N N 112.7600 0.50 1 823 93 93 GLU C C 176.3150 0.30 1 824 94 94 VAL H H 8.2880 0.05 1 825 94 94 VAL HA H 3.8000 0.05 1 826 94 94 VAL HB H 2.0810 0.05 1 827 94 94 VAL HG1 H 1.0140 0.05 2 828 94 94 VAL C C 178.2920 0.30 1 829 94 94 VAL CA C 56.3740 0.30 1 830 94 94 VAL CB C 31.6300 0.30 1 831 94 94 VAL N N 119.8370 0.50 1 832 95 95 GLU H H 8.2070 0.05 1 833 95 95 GLU HA H 3.9310 0.05 1 834 95 95 GLU HB2 H 2.1100 0.05 2 835 95 95 GLU C C 179.5140 0.30 1 836 95 95 GLU CA C 60.2150 0.30 1 837 95 95 GLU CB C 29.4190 0.30 1 838 95 95 GLU N N 120.8050 0.50 1 839 96 96 ALA H H 8.8390 0.05 1 840 96 96 ALA HA H 4.0290 0.05 1 841 96 96 ALA HB H 1.4350 0.05 1 842 96 96 ALA C C 179.0470 0.30 1 843 96 96 ALA CA C 54.8660 0.30 1 844 96 96 ALA CB C 17.6670 0.30 1 845 96 96 ALA N N 123.2260 0.50 1 846 97 97 GLU H H 7.7630 0.05 1 847 97 97 GLU HA H 4.0550 0.05 1 848 97 97 GLU HB2 H 2.1340 0.05 2 849 97 97 GLU C C 178.0150 0.30 1 850 97 97 GLU CA C 59.1380 0.30 1 851 97 97 GLU CB C 29.5880 0.30 1 852 97 97 GLU N N 118.6060 0.50 1 853 98 98 ILE H H 8.1180 0.05 1 854 98 98 ILE HA H 3.6570 0.05 1 855 98 98 ILE HB H 1.8770 0.05 1 856 98 98 ILE HD1 H 0.8010 0.05 1 857 98 98 ILE HG12 H 1.7570 0.05 2 858 98 98 ILE HG13 H 1.0420 0.05 2 859 98 98 ILE HG2 H 0.8110 0.05 1 860 98 98 ILE C C 178.0150 0.30 1 861 98 98 ILE CA C 64.8310 0.30 1 862 98 98 ILE CB C 38.4020 0.30 1 863 98 98 ILE CD1 C 13.4450 0.30 1 864 98 98 ILE CG1 C 29.2640 0.30 1 865 98 98 ILE CG2 C 16.7200 0.30 1 866 98 98 ILE N N 122.3390 0.50 1 867 99 99 ALA H H 8.1170 0.05 1 868 99 99 ALA HA H 4.2100 0.05 1 869 99 99 ALA HB H 1.7220 0.05 1 870 99 99 ALA C C 178.7620 0.30 1 871 99 99 ALA CA C 55.3600 0.30 1 872 99 99 ALA CB C 17.4990 0.30 1 873 99 99 ALA N N 122.3570 0.50 1 874 100 100 GLU H H 8.3450 0.05 1 875 100 100 GLU HA H 3.7870 0.05 1 876 100 100 GLU HB2 H 2.0910 0.05 2 877 100 100 GLU HB3 H 2.0210 0.05 2 878 100 100 GLU C C 178.4630 0.30 1 879 100 100 GLU CA C 59.0630 0.30 1 880 100 100 GLU CB C 29.6700 0.30 1 881 100 100 GLU N N 118.3910 0.50 1 882 101 101 ALA H H 7.6930 0.05 1 883 101 101 ALA HA H 4.1110 0.05 1 884 101 101 ALA HB H 1.4420 0.05 1 885 101 101 ALA C C 180.9670 0.30 1 886 101 101 ALA CA C 54.3830 0.30 1 887 101 101 ALA CB C 18.0970 0.30 1 888 101 101 ALA N N 120.6990 0.50 1 889 102 102 ARG H H 7.9590 0.05 1 890 102 102 ARG HA H 3.7050 0.05 1 891 102 102 ARG C C 178.3100 0.30 1 892 102 102 ARG CA C 57.6960 0.30 1 893 102 102 ARG CB C 28.4040 0.30 1 894 102 102 ARG N N 118.3860 0.50 1 895 103 103 ALA H H 7.8960 0.05 1 896 103 103 ALA HA H 4.1080 0.05 1 897 103 103 ALA HB H 1.4710 0.05 1 898 103 103 ALA C C 178.1840 0.30 1 899 103 103 ALA CA C 54.2100 0.30 1 900 103 103 ALA CB C 18.4300 0.30 1 901 103 103 ALA N N 120.6300 0.50 1 902 104 104 LYS H H 7.3370 0.05 1 903 104 104 LYS HA H 4.1500 0.05 1 904 104 104 LYS HB2 H 1.7260 0.05 2 905 104 104 LYS HB3 H 1.6420 0.05 2 906 104 104 LYS HE2 H 2.8810 0.05 2 907 104 104 LYS HG2 H 1.3340 0.05 2 908 104 104 LYS HG3 H 1.3270 0.05 2 909 104 104 LYS C C 177.2110 0.30 1 910 104 104 LYS CA C 56.4290 0.30 1 911 104 104 LYS CB C 32.8100 0.30 1 912 104 104 LYS CE C 42.1190 0.30 1 913 104 104 LYS CG C 24.8610 0.30 1 914 104 104 LYS N N 115.2880 0.50 1 915 105 105 LEU H H 7.5110 0.05 1 916 105 105 LEU HA H 4.1620 0.05 1 917 105 105 LEU HB2 H 1.6590 0.05 2 918 105 105 LEU HB3 H 1.5310 0.05 2 919 105 105 LEU HD1 H 0.8330 0.05 2 920 105 105 LEU HD2 H 0.8190 0.05 2 921 105 105 LEU HG H 1.6360 0.05 1 922 105 105 LEU C C 177.2600 0.30 1 923 105 105 LEU CA C 56.2270 0.30 1 924 105 105 LEU CB C 42.3650 0.30 1 925 105 105 LEU CD1 C 24.8510 0.30 2 926 105 105 LEU CD2 C 23.7700 0.30 2 927 105 105 LEU CG C 26.5850 0.30 1 928 105 105 LEU N N 120.9380 0.50 1 929 106 106 GLU H H 8.2830 0.05 1 930 106 106 GLU HA H 4.1670 0.05 1 931 106 106 GLU HB2 H 1.6590 0.05 2 932 106 106 GLU HB3 H 1.5330 0.05 2 933 106 106 GLU C C 173.8770 0.30 1 934 106 106 GLU CA C 55.8620 0.30 1 935 106 106 GLU CB C 30.2890 0.30 1 936 106 106 GLU N N 121.0040 0.50 1 937 107 107 HIS H H 8.1280 0.05 1 938 107 107 HIS CA C 57.2580 0.30 1 939 107 107 HIS CB C 30.2520 0.30 1 940 107 107 HIS N N 125.2900 0.50 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_2 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 DHN 7 GLU H 7 GLU N -11.53 ? ? . . 1.5 DHN 8 GLU H 8 GLU N 6.432 ? ? . . 1.5 DHN 9 TYR H 9 TYR N 5.92 ? ? . . 1.5 DHN 11 LEU H 11 LEU N -8.75 ? ? . . 1.5 DHN 13 GLY H 13 GLY N -0.322 ? ? . . 1.5 DHN 14 VAL H 14 VAL N -8.888 ? ? . . 1.5 DHN 15 LEU H 15 LEU N -6.292 ? ? . . 1.5 DHN 16 GLN H 16 GLN N 3.73 ? ? . . 1.5 DHN 17 TYR H 17 TYR N -6.094 ? ? . . 1.5 DHN 21 ASN H 21 ASN N -2.688 ? ? . . 1.5 DHN 22 TYR H 22 TYR N -3.446 ? ? . . 1.5 DHN 23 THR H 23 THR N 1.706 ? ? . . 1.5 DHN 24 GLU H 24 GLU N 8.426 ? ? . . 1.5 DHN 25 SER H 25 SER N -3.696 ? ? . . 1.5 DHN 26 ILE H 26 ILE N -4.398 ? ? . . 1.5 DHN 27 ASP H 27 ASP N 4.718 ? ? . . 1.5 DHN 28 LEU H 28 LEU N 0.78 ? ? . . 1.5 DHN 29 PHE H 29 PHE N -5.28 ? ? . . 1.5 DHN 30 GLU H 30 GLU N 0.042 ? ? . . 1.5 DHN 31 LYS H 31 LYS N 9.422 ? ? . . 1.5 DHN 32 ALA H 32 ALA N -0.982 ? ? . . 1.5 DHN 34 GLN H 34 GLN N 5.488 ? ? . . 1.5 DHN 35 LEU H 35 LEU N 9.64 ? ? . . 1.5 DHN 36 ASP H 36 ASP N -2.548 ? ? . . 1.5 DHN 40 SER H 40 SER N -0.346 ? ? . . 1.5 DHN 41 LYS H 41 LYS N -7.332 ? ? . . 1.5 DHN 42 TYR H 42 TYR N 1.474 ? ? . . 1.5 DHN 43 TRP H 43 TRP N -2.396 ? ? . . 1.5 DHN 44 LEU H 44 LEU N -9.358 ? ? . . 1.5 DHN 47 GLY H 47 GLY N -4.644 ? ? . . 1.5 DHN 48 LYS H 48 LYS N -10.396 ? ? . . 1.5 DHN 49 ALA H 49 ALA N -6.542 ? ? . . 1.5 DHN 50 LEU H 50 LEU N -4.436 ? ? . . 1.5 DHN 51 TYR H 51 TYR N -8.426 ? ? . . 1.5 DHN 52 ASN H 52 ASN N -13.266 ? ? . . 1.5 DHN 53 LEU H 53 LEU N -0.8 ? ? . . 1.5 DHN 55 ARG H 55 ARG N -0.962 ? ? . . 1.5 DHN 56 TYR H 56 TYR N -6.748 ? ? . . 1.5 DHN 57 GLU H 57 GLU N -1.558 ? ? . . 1.5 DHN 58 GLU H 58 GLU N -0.73 ? ? . . 1.5 DHN 59 ALA H 59 ALA N -8.12 ? ? . . 1.5 DHN 60 VAL H 60 VAL N -6.862 ? ? . . 1.5 DHN 61 ASP H 61 ASP N -1.132 ? ? . . 1.5 DHN 62 CYS H 62 CYS N -1.29 ? ? . . 1.5 DHN 63 TYR H 63 TYR N -6.542 ? ? . . 1.5 DHN 64 ASN H 64 ASN N -1.492 ? ? . . 1.5 DHN 65 TYR H 65 TYR N 2.614 ? ? . . 1.5 DHN 66 VAL H 66 VAL N -1.364 ? ? . . 1.5 DHN 67 ILE H 67 ILE N -2.616 ? ? . . 1.5 DHN 68 ASN H 68 ASN N 1.232 ? ? . . 1.5 DHN 70 ILE H 70 ILE N -2.686 ? ? . . 1.5 DHN 75 ASN H 75 ASN N 16.666 ? ? . . 1.5 DHN 76 LYS H 76 LYS N -3.222 ? ? . . 1.5 DHN 77 ASP H 77 ASP N -12.572 ? ? . . 1.5 DHN 78 VAL H 78 VAL N -5.218 ? ? . . 1.5 DHN 79 TRP H 79 TRP N -2.614 ? ? . . 1.5 DHN 80 ALA H 80 ALA N -10.072 ? ? . . 1.5 DHN 81 ALA H 81 ALA N -11.124 ? ? . . 1.5 DHN 82 LYS H 82 LYS N -4.276 ? ? . . 1.5 DHN 83 ALA H 83 ALA N -2.87 ? ? . . 1.5 DHN 84 ASP H 84 ASP N -12.32 ? ? . . 1.5 DHN 86 LEU H 86 LEU N -2.146 ? ? . . 1.5 DHN 95 GLU H 95 GLU N 3.446 ? ? . . 1.5 DHN 96 ALA H 96 ALA N -2.958 ? ? . . 1.5 DHN 97 GLU H 97 GLU N 2.242 ? ? . . 1.5 DHN 99 ALA H 99 ALA N -0.244 ? ? . . 1.5 DHN 100 GLU H 100 GLU N -4.932 ? ? . . 1.5 DHN 101 ALA H 101 ALA N 4.942 ? ? . . 1.5 DHN 102 ARG H 102 ARG N 4.342 ? ? . . 1.5 DHN 103 ALA H 103 ALA N -6.834 ? ? . . 1.5 stop_ _Details . _Sample_conditions_label $sample_conditions2 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_ save_RDC_list_2 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_3 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 DHN 7 GLU H 7 GLU N -12.342 ? ? . . 1.5 DHN 8 GLU H 8 GLU N -3.056 ? ? . . 1.5 DHN 9 TYR H 9 TYR N -5.89 ? ? . . 1.5 DHN 11 LEU H 11 LEU N -11.79 ? ? . . 1.5 DHN 13 GLY H 13 GLY N -7.82 ? ? . . 1.5 DHN 14 VAL H 14 VAL N -11.768 ? ? . . 1.5 DHN 15 LEU H 15 LEU N -10.426 ? ? . . 1.5 DHN 16 GLN H 16 GLN N -6.67 ? ? . . 1.5 DHN 17 TYR H 17 TYR N -9.222 ? ? . . 1.5 DHN 18 ASP H 18 ASP N -13.346 ? ? . . 1.5 DHN 21 ASN H 21 ASN N 1.464 ? ? . . 1.5 DHN 23 THR H 23 THR N -6.382 ? ? . . 1.5 DHN 24 GLU H 24 GLU N -4.79 ? ? . . 1.5 DHN 25 SER H 25 SER N -9.636 ? ? . . 1.5 DHN 26 ILE H 26 ILE N -7.18 ? ? . . 1.5 DHN 27 ASP H 27 ASP N -5.612 ? ? . . 1.5 DHN 28 LEU H 28 LEU N -7.06 ? ? . . 1.5 DHN 29 PHE H 29 PHE N -9.4 ? ? . . 1.5 DHN 30 GLU H 30 GLU N -3.238 ? ? . . 1.5 DHN 31 LYS H 31 LYS N -5.402 ? ? . . 1.5 DHN 32 ALA H 32 ALA N -8.734 ? ? . . 1.5 DHN 34 GLN H 34 GLN N -4.216 ? ? . . 1.5 DHN 35 LEU H 35 LEU N -4.008 ? ? . . 1.5 DHN 36 ASP H 36 ASP N -7.306 ? ? . . 1.5 DHN 39 GLU H 39 GLU N 16.642 ? ? . . 1.5 DHN 40 SER H 40 SER N 5.938 ? ? . . 1.5 DHN 41 LYS H 41 LYS N -5.054 ? ? . . 1.5 DHN 42 TYR H 42 TYR N -6.178 ? ? . . 1.5 DHN 43 TRP H 43 TRP N 3.106 ? ? . . 1.5 DHN 44 LEU H 44 LEU N -6.734 ? ? . . 1.5 DHN 45 MET H 45 MET N -18.182 ? ? . . 1.5 DHN 47 GLY H 47 GLY N -1.41 ? ? . . 1.5 DHN 48 LYS H 48 LYS N -7.626 ? ? . . 1.5 DHN 49 ALA H 49 ALA N -10.306 ? ? . . 1.5 DHN 50 LEU H 50 LEU N -3.962 ? ? . . 1.5 DHN 51 TYR H 51 TYR N -4.388 ? ? . . 1.5 DHN 52 ASN H 52 ASN N -12.952 ? ? . . 1.5 DHN 53 LEU H 53 LEU N -5.872 ? ? . . 1.5 DHN 54 GLU H 54 GLU N 20.458 ? ? . . 1.5 DHN 55 ARG H 55 ARG N -5.232 ? ? . . 1.5 DHN 56 TYR H 56 TYR N -7.924 ? ? . . 1.5 DHN 57 GLU H 57 GLU N 4.284 ? ? . . 1.5 DHN 58 GLU H 58 GLU N -2.45 ? ? . . 1.5 DHN 59 ALA H 59 ALA N -8.79 ? ? . . 1.5 DHN 60 VAL H 60 VAL N -4.034 ? ? . . 1.5 DHN 61 ASP H 61 ASP N 3.48 ? ? . . 1.5 DHN 62 CYS H 62 CYS N -7.184 ? ? . . 1.5 DHN 63 TYR H 63 TYR N -6.798 ? ? . . 1.5 DHN 64 ASN H 64 ASN N 3.306 ? ? . . 1.5 DHN 65 TYR H 65 TYR N -0.28 ? ? . . 1.5 DHN 66 VAL H 66 VAL N -6.606 ? ? . . 1.5 DHN 67 ILE H 67 ILE N -1.392 ? ? . . 1.5 DHN 68 ASN H 68 ASN N 3.6 ? ? . . 1.5 DHN 70 ILE H 70 ILE N -6.906 ? ? . . 1.5 DHN 75 ASN H 75 ASN N 8.188 ? ? . . 1.5 DHN 76 LYS H 76 LYS N 0.802 ? ? . . 1.5 DHN 77 ASP H 77 ASP N -11.776 ? ? . . 1.5 DHN 78 VAL H 78 VAL N -1.102 ? ? . . 1.5 DHN 79 TRP H 79 TRP N 3.1 ? ? . . 1.5 DHN 80 ALA H 80 ALA N -7.336 ? ? . . 1.5 DHN 81 ALA H 81 ALA N -10.702 ? ? . . 1.5 DHN 82 LYS H 82 LYS N -0.246 ? ? . . 1.5 DHN 83 ALA H 83 ALA N 0.778 ? ? . . 1.5 DHN 84 ASP H 84 ASP N -10.404 ? ? . . 1.5 DHN 86 LEU H 86 LEU N 3.59 ? ? . . 1.5 DHN 95 GLU H 95 GLU N 9.954 ? ? . . 1.5 DHN 96 ALA H 96 ALA N -0.42 ? ? . . 1.5 DHN 97 GLU H 97 GLU N -0.324 ? ? . . 1.5 DHN 98 ILE H 98 ILE N 10.062 ? ? . . 1.5 DHN 99 ALA H 99 ALA N 5.132 ? ? . . 1.5 DHN 100 GLU H 100 GLU N -3.344 ? ? . . 1.5 DHN 101 ALA H 101 ALA N 2.704 ? ? . . 1.5 DHN 102 ARG H 102 ARG N 9.488 ? ? . . 1.5 DHN 103 ALA H 103 ALA N -3.586 ? ? . . 1.5 stop_ _Details . _Sample_conditions_label $sample_conditions3 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_