data_5102 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A helical region in the C-terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin ; _BMRB_accession_number 5102 _BMRB_flat_file_name bmr5102.str _Entry_type original _Submission_date 2001-08-08 _Accession_date 2001-08-08 _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 Wissmann Ralph . . 2 Bildl Wolfgang . . 3 Neumann Heinz . . 4 Rivard Andre F. . 5 Kloecker Nikolaj . . 6 Weitz Dietmar . . 7 Schulte Uwe . . 8 Adelman John P. . 9 Bentrop Detlef . . 10 Fakler Bernd . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 763 "13C chemical shifts" 342 "15N chemical shifts" 343 "coupling constants" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-02-04 original author . stop_ _Original_release_date 2002-02-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A helical region in the C-terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wissmann Ralph . . 2 Bildl Wolfgang . . 3 Neumann Heinz . . 4 Rivard Andre F. . 5 Kloecker Nikolaj . . 6 Weitz Dietmar . . 7 Schulte Uwe . . 8 Adelman John P. . 9 Bentrop Detlef . . 10 Fakler Bernd . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 277 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4558 _Page_last 4564 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_SK2-CaMBD _Saveframe_category molecular_system _Mol_system_name 'SK2 calmodulin binding domain' _Abbreviation_common SK2-CaMBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CaMBD $CaMBD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CaMBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SK2 calmodulin binding domain' _Abbreviation_common CaMBD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; MGRKLELTKAEKHVHNFMMD TQLTKRVKNAAANVLRETWL IYKNTKLVKKIDHAKVRKHQ RKFLQAIHQLRSVKMEQRKL NDQANTLVDLAKTQLEHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ARG 4 LYS 5 LEU 6 GLU 7 LEU 8 THR 9 LYS 10 ALA 11 GLU 12 LYS 13 HIS 14 VAL 15 HIS 16 ASN 17 PHE 18 MET 19 MET 20 ASP 21 THR 22 GLN 23 LEU 24 THR 25 LYS 26 ARG 27 VAL 28 LYS 29 ASN 30 ALA 31 ALA 32 ALA 33 ASN 34 VAL 35 LEU 36 ARG 37 GLU 38 THR 39 TRP 40 LEU 41 ILE 42 TYR 43 LYS 44 ASN 45 THR 46 LYS 47 LEU 48 VAL 49 LYS 50 LYS 51 ILE 52 ASP 53 HIS 54 ALA 55 LYS 56 VAL 57 ARG 58 LYS 59 HIS 60 GLN 61 ARG 62 LYS 63 PHE 64 LEU 65 GLN 66 ALA 67 ILE 68 HIS 69 GLN 70 LEU 71 ARG 72 SER 73 VAL 74 LYS 75 MET 76 GLU 77 GLN 78 ARG 79 LYS 80 LEU 81 ASN 82 ASP 83 GLN 84 ALA 85 ASN 86 THR 87 LEU 88 VAL 89 ASP 90 LEU 91 ALA 92 LYS 93 THR 94 GLN 95 LEU 96 GLU 97 HIS 98 HIS 99 HIS 100 HIS 101 HIS 102 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1G4Y "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" 99.02 101 100.00 100.00 1.01e-63 PDB 1KKD "Solution Structure Of The Calmodulin Binding Domain (Cambd) Of Small Conductance Ca2+-Activated Potassium Channels (Sk2)" 100.00 102 100.00 100.00 1.97e-64 PDB 1QX7 "Crystal Structure Of Apocam Bound To The Gating Domain Of Small Conductance Ca2+-Activated Potassium Channel" 83.33 85 100.00 100.00 2.21e-51 PDB 4G27 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" 100.00 102 100.00 100.00 1.97e-64 PDB 4G28 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" 100.00 102 100.00 100.00 1.97e-64 PDB 4J9Y "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" 100.00 102 100.00 100.00 1.97e-64 PDB 4J9Z "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" 100.00 102 100.00 100.00 1.97e-64 PDB 4QNH "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" 100.00 102 100.00 100.00 1.97e-64 DBJ BAC28176 "unnamed protein product [Mus musculus]" 92.16 841 97.87 98.94 2.89e-53 DBJ BAC34231 "unnamed protein product [Mus musculus]" 92.16 564 97.87 98.94 8.51e-54 DBJ BAD08234 "small conductance potassium channel type2 [Bos taurus]" 92.16 581 97.87 98.94 9.06e-55 DBJ BAE28732 "unnamed protein product [Mus musculus]" 92.16 783 97.87 98.94 6.85e-53 DBJ BAF82637 "unnamed protein product [Homo sapiens]" 92.16 579 97.87 98.94 3.17e-54 EMBL CAH90265 "hypothetical protein [Pongo abelii]" 92.16 266 97.87 98.94 5.66e-56 GB AAB09563 "calcium-activated potassium channel rSK2 [Rattus norvegicus]" 92.16 580 97.87 98.94 1.22e-54 GB AAF21783 "small-conductance calcium-activated potassium channel [Gallus gallus]" 92.16 553 97.87 98.94 2.03e-53 GB AAG16728 "apamin-sensitive small-conductance Ca2+-activated potassium channel [Homo sapiens]" 92.16 579 97.87 98.94 3.17e-54 GB AAH15371 "Potassium intermediate/small conductance calcium-activated channel, subfamily N, member 2 [Homo sapiens]" 92.16 231 97.87 98.94 8.26e-57 GB AAI17455 "Potassium intermediate/small conductance calcium-activated channel, subfamily N, member 2 [Homo sapiens]" 92.16 579 97.87 98.94 3.17e-54 REF NP_001125117 "small conductance calcium-activated potassium channel protein 2 [Pongo abelii]" 92.16 266 97.87 98.94 5.66e-56 REF NP_001265133 "small conductance calcium-activated potassium channel protein 2 isoform b [Homo sapiens]" 92.16 231 97.87 98.94 8.26e-57 REF NP_062187 "small conductance calcium-activated potassium channel protein 2 [Rattus norvegicus]" 92.16 580 97.87 98.94 1.22e-54 REF NP_067627 "small conductance calcium-activated potassium channel protein 2 isoform a [Homo sapiens]" 92.16 579 97.87 98.94 3.17e-54 REF NP_536713 "small conductance calcium-activated potassium channel protein 2 [Mus musculus]" 92.16 574 97.87 98.94 3.65e-54 SP P58390 "RecName: Full=Small conductance calcium-activated potassium channel protein 2; Short=SK2; Short=SKCa 2; Short=SKCa2; AltName: F" 92.16 839 97.87 98.94 2.82e-53 SP P70604 "RecName: Full=Small conductance calcium-activated potassium channel protein 2; Short=SK2; Short=SKCa 2; Short=SKCa2; AltName: F" 92.16 580 97.87 98.94 1.22e-54 SP Q9H2S1 "RecName: Full=Small conductance calcium-activated potassium channel protein 2; Short=SK2; Short=SKCa 2; Short=SKCa2; AltName: F" 92.16 579 97.87 98.94 3.17e-54 TPG DAA25921 "TPA: small conductance calcium-activated potassium channel protein 2 isoform 2 [Bos taurus]" 92.16 581 97.87 98.94 8.34e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaMBD 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $CaMBD 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET23B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CaMBD . mM 0.5 1.2 '[U-98% 15N]' NaCl 250 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CaMBD . mM 0.5 1.0 '[U-98% 13C; U-98% 15N]' NaCl 250 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 0.02 M pH 3.5 0.1 na temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N NOESY' '1H-15N TOCSY' HNCA HNCO HN(CA)CO CBCA(CO)NH HNHA stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CaMBD _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 . 2 GLY HA2 H 3.87 0.02 1 2 . 2 GLY HA3 H 3.87 0.02 1 3 . 3 ARG N N 121.1 0.1 1 4 . 3 ARG H H 8.62 0.02 1 5 . 3 ARG HA H 4.38 0.02 1 6 . 3 ARG HB2 H 1.77 0.02 1 7 . 3 ARG HB3 H 1.77 0.02 1 8 . 4 LYS N N 123.8 0.1 1 9 . 4 LYS H H 8.52 0.02 1 10 . 4 LYS HA H 4.26 0.02 1 11 . 4 LYS HB2 H 1.81 0.02 2 12 . 4 LYS HB3 H 1.72 0.02 2 13 . 4 LYS HG2 H 1.45 0.02 1 14 . 4 LYS HG3 H 1.45 0.02 1 15 . 5 LEU N N 124.6 0.1 1 16 . 5 LEU H H 8.36 0.02 1 17 . 5 LEU HA H 4.32 0.02 1 18 . 5 LEU HB2 H 1.59 0.02 1 19 . 5 LEU HB3 H 1.59 0.02 1 20 . 6 GLU N N 122.6 0.1 1 21 . 6 GLU H H 8.40 0.02 1 22 . 6 GLU HA H 4.31 0.02 1 23 . 6 GLU HB2 H 2.03 0.02 2 24 . 6 GLU HB3 H 1.93 0.02 2 25 . 6 GLU HG2 H 2.35 0.02 1 26 . 6 GLU HG3 H 2.35 0.02 1 27 . 7 LEU N N 123.9 0.1 1 28 . 7 LEU H H 8.35 0.02 1 29 . 7 LEU HA H 4.28 0.02 1 30 . 7 LEU HB2 H 1.63 0.02 1 31 . 7 LEU HB3 H 1.63 0.02 1 32 . 7 LEU HD1 H 0.86 0.02 1 33 . 7 LEU HD2 H 0.86 0.02 1 34 . 8 THR N N 114.8 0.1 1 35 . 8 THR H H 8.14 0.02 1 36 . 8 THR HA H 4.31 0.02 1 37 . 8 THR HB H 4.26 0.02 1 38 . 8 THR HG2 H 1.20 0.02 1 39 . 9 LYS N N 123.4 0.1 1 40 . 9 LYS H H 8.36 0.02 1 41 . 9 LYS HA H 4.22 0.02 1 42 . 9 LYS HB2 H 1.81 0.02 1 43 . 9 LYS HB3 H 1.81 0.02 1 44 . 9 LYS HG2 H 1.47 0.02 2 45 . 9 LYS HG3 H 1.37 0.02 2 46 . 9 LYS HD2 H 1.70 0.02 1 47 . 9 LYS HD3 H 1.70 0.02 1 48 . 10 ALA N N 124.5 0.1 1 49 . 10 ALA H H 8.25 0.02 1 50 . 10 ALA HA H 4.26 0.02 1 51 . 10 ALA HB H 1.37 0.02 1 52 . 11 GLU N N 119.7 0.1 1 53 . 11 GLU H H 8.17 0.02 1 54 . 11 GLU HA H 4.26 0.02 1 55 . 11 GLU HB2 H 1.98 0.02 1 56 . 11 GLU HB3 H 1.98 0.02 1 57 . 11 GLU HG2 H 2.38 0.02 1 58 . 11 GLU HG3 H 2.38 0.02 1 59 . 12 LYS N N 121.9 0.1 1 60 . 12 LYS H H 8.24 0.02 1 61 . 12 LYS HA H 4.21 0.02 1 62 . 12 LYS HB2 H 1.73 0.02 1 63 . 12 LYS HB3 H 1.73 0.02 1 64 . 12 LYS HG2 H 1.42 0.02 2 65 . 12 LYS HG3 H 1.33 0.02 2 66 . 12 LYS HD2 H 1.66 0.02 1 67 . 12 LYS HD3 H 1.66 0.02 1 68 . 13 HIS N N 120.1 0.1 1 69 . 13 HIS H H 8.55 0.02 1 70 . 13 HIS HA H 4.73 0.02 1 71 . 13 HIS HB2 H 3.28 0.02 2 72 . 13 HIS HB3 H 3.14 0.02 2 73 . 14 VAL N N 120.8 0.1 1 74 . 14 VAL H H 8.14 0.02 1 75 . 14 VAL HA H 4.06 0.02 1 76 . 14 VAL HB H 2.01 0.02 1 77 . 14 VAL HG1 H 0.86 0.02 1 78 . 14 VAL HG2 H 0.86 0.02 1 79 . 15 HIS N N 121.9 0.1 1 80 . 15 HIS H H 8.63 0.02 1 81 . 15 HIS HA H 4.69 0.02 1 82 . 15 HIS HB2 H 3.10 0.02 1 83 . 15 HIS HB3 H 3.10 0.02 1 84 . 16 ASN N N 121.0 0.1 1 85 . 16 ASN H H 8.43 0.02 1 86 . 16 ASN HA H 4.64 0.02 1 87 . 16 ASN HB2 H 2.75 0.02 2 88 . 16 ASN HB3 H 2.66 0.02 2 89 . 17 PHE N N 121.1 0.1 1 90 . 17 PHE H H 8.28 0.02 1 91 . 17 PHE HA H 4.54 0.02 1 92 . 17 PHE HB2 H 3.14 0.02 2 93 . 17 PHE HB3 H 2.91 0.02 2 94 . 18 MET N N 121.5 0.1 1 95 . 18 MET H H 8.24 0.02 1 96 . 18 MET HA H 4.39 0.02 1 97 . 18 MET HB2 H 2.06 0.02 2 98 . 18 MET HB3 H 1.95 0.02 2 99 . 18 MET HG2 H 2.47 0.02 2 100 . 18 MET HG3 H 2.38 0.02 2 101 . 19 MET N N 120.7 0.1 1 102 . 19 MET H H 8.18 0.02 1 103 . 19 MET HA H 4.39 0.02 1 104 . 19 MET HB2 H 2.07 0.02 2 105 . 19 MET HB3 H 1.97 0.02 2 106 . 19 MET HG2 H 2.56 0.02 2 107 . 19 MET HG3 H 2.47 0.02 2 108 . 20 ASP N N 120.7 0.1 1 109 . 20 ASP H H 8.40 0.02 1 110 . 20 ASP HA H 4.71 0.02 1 111 . 20 ASP HB2 H 2.87 0.02 2 112 . 20 ASP HB3 H 2.78 0.02 2 113 . 21 THR N N 114.6 0.1 1 114 . 21 THR H H 8.13 0.02 1 115 . 21 THR HA H 4.39 0.02 1 116 . 21 THR HB H 4.26 0.02 1 117 . 21 THR HG2 H 1.20 0.02 1 118 . 22 GLN N N 122.2 0.1 1 119 . 22 GLN H H 8.42 0.02 1 120 . 22 GLN HA H 4.33 0.02 1 121 . 22 GLN HB2 H 2.06 0.02 2 122 . 22 GLN HB3 H 1.93 0.02 2 123 . 22 GLN HG2 H 2.37 0.02 1 124 . 22 GLN HG3 H 2.37 0.02 1 125 . 23 LEU N N 122.4 0.1 1 126 . 23 LEU H H 8.17 0.02 1 127 . 23 LEU HA H 4.31 0.02 1 128 . 23 LEU HB2 H 1.67 0.02 1 129 . 23 LEU HB3 H 1.67 0.02 1 130 . 23 LEU HG H 1.61 0.02 1 131 . 23 LEU HD1 H 0.89 0.02 1 132 . 23 LEU HD2 H 0.89 0.02 1 133 . 24 THR N N 114.3 0.1 1 134 . 24 THR H H 8.00 0.02 1 135 . 24 THR HA H 4.25 0.02 1 136 . 24 THR HG2 H 1.19 0.02 1 137 . 25 LYS N N 123.4 0.1 1 138 . 25 LYS H H 8.20 0.02 1 139 . 25 LYS HA H 4.29 0.02 1 140 . 25 LYS HB2 H 1.82 0.02 2 141 . 25 LYS HB3 H 1.73 0.02 2 142 . 25 LYS HG2 H 1.39 0.02 1 143 . 25 LYS HG3 H 1.39 0.02 1 144 . 25 LYS HD2 H 1.53 0.02 1 145 . 25 LYS HD3 H 1.53 0.02 1 146 . 26 ARG N N 121.1 0.1 1 147 . 26 ARG H H 8.12 0.02 1 148 . 26 ARG HA H 4.29 0.02 1 149 . 26 ARG HB2 H 1.82 0.02 2 150 . 26 ARG HB3 H 1.72 0.02 2 151 . 26 ARG HG2 H 1.57 0.02 1 152 . 26 ARG HG3 H 1.57 0.02 1 153 . 27 VAL N N 121.5 0.1 1 154 . 27 VAL H H 8.16 0.02 1 155 . 27 VAL HA H 4.08 0.02 1 156 . 27 VAL HB H 2.06 0.02 1 157 . 27 VAL HG1 H 0.91 0.02 2 158 . 27 VAL HG2 H 0.79 0.02 2 159 . 28 LYS N N 125.0 0.1 1 160 . 28 LYS H H 8.42 0.02 1 161 . 28 LYS HA H 4.25 0.02 1 162 . 28 LYS HB2 H 1.79 0.02 2 163 . 28 LYS HB3 H 1.69 0.02 2 164 . 28 LYS HD2 H 1.40 0.02 1 165 . 28 LYS HD3 H 1.40 0.02 1 166 . 29 ASN N N 120.1 0.1 1 167 . 29 ASN H H 8.43 0.02 1 168 . 29 ASN HA H 4.64 0.02 1 169 . 29 ASN HB2 H 2.82 0.02 2 170 . 29 ASN HB3 H 2.76 0.02 2 171 . 30 ALA N N 124.9 0.1 1 172 . 30 ALA H H 8.30 0.02 1 173 . 30 ALA HA H 4.25 0.02 1 174 . 30 ALA HB H 1.40 0.02 1 175 . 31 ALA N N 122.8 0.1 1 176 . 31 ALA H H 8.23 0.02 1 177 . 31 ALA HA H 4.29 0.02 1 178 . 31 ALA HB H 1.38 0.02 1 179 . 32 ALA N N 122.4 0.1 1 180 . 32 ALA H H 8.13 0.02 1 181 . 32 ALA HA H 4.23 0.02 1 182 . 32 ALA HB H 1.39 0.02 1 183 . 33 ASN N N 117.4 0.1 1 184 . 33 ASN H H 8.27 0.02 1 185 . 33 ASN HA H 4.65 0.02 1 186 . 33 ASN HB2 H 2.79 0.02 1 187 . 33 ASN HB3 H 2.79 0.02 1 188 . 34 VAL N N 120.3 0.1 1 189 . 34 VAL H H 7.94 0.02 1 190 . 34 VAL HA H 4.02 0.02 1 191 . 34 VAL HB H 2.11 0.02 1 192 . 34 VAL HG1 H 0.91 0.02 2 193 . 34 VAL HG2 H 0.79 0.02 2 194 . 35 LEU N N 124.5 0.1 1 195 . 35 LEU H H 8.15 0.02 1 196 . 35 LEU HA H 4.30 0.02 1 197 . 35 LEU HB2 H 1.69 0.02 2 198 . 35 LEU HB3 H 1.60 0.02 2 199 . 35 LEU HD1 H 0.91 0.02 2 200 . 36 ARG N N 122.2 0.1 1 201 . 36 ARG H H 8.26 0.02 1 202 . 36 ARG HA H 4.24 0.02 1 203 . 36 ARG HB2 H 1.79 0.02 2 204 . 36 ARG HB3 H 1.68 0.02 2 205 . 36 ARG HG2 H 1.57 0.02 1 206 . 36 ARG HG3 H 1.57 0.02 1 207 . 37 GLU N N 120.4 0.1 1 208 . 37 GLU H H 8.22 0.02 1 209 . 37 GLU HA H 4.17 0.02 1 210 . 37 GLU HB2 H 1.87 0.02 2 211 . 37 GLU HB3 H 1.75 0.02 2 212 . 37 GLU HG2 H 2.34 0.02 1 213 . 37 GLU HG3 H 2.34 0.02 1 214 . 38 THR N N 114.3 0.1 1 215 . 38 THR H H 8.03 0.02 1 216 . 38 THR HA H 4.21 0.02 1 217 . 38 THR HB H 4.12 0.02 1 218 . 38 THR HG2 H 1.16 0.02 1 219 . 39 TRP N N 121.8 0.1 1 220 . 39 TRP H H 7.90 0.02 1 221 . 39 TRP HA H 4.67 0.02 1 222 . 39 TRP HB2 H 3.32 0.02 1 223 . 39 TRP HB3 H 3.32 0.02 1 224 . 40 LEU N N 122.1 0.1 1 225 . 40 LEU H H 7.82 0.02 1 226 . 40 LEU HA H 4.15 0.02 1 227 . 40 LEU HB2 H 1.51 0.02 2 228 . 40 LEU HB3 H 1.40 0.02 2 229 . 40 LEU HD1 H 0.81 0.02 1 230 . 40 LEU HD2 H 0.81 0.02 1 231 . 41 ILE N N 119.8 0.1 1 232 . 41 ILE H H 7.77 0.02 1 233 . 41 ILE HA H 4.01 0.02 1 234 . 41 ILE HB H 1.76 0.02 1 235 . 41 ILE HG2 H 1.09 0.02 1 236 . 41 ILE HG12 H 1.39 0.02 2 237 . 41 ILE HG13 H 1.17 0.02 2 238 . 41 ILE HD1 H 0.76 0.02 1 239 . 42 TYR N N 123.2 0.1 1 240 . 42 TYR H H 8.10 0.02 1 241 . 42 TYR HA H 4.53 0.02 1 242 . 42 TYR HB2 H 3.05 0.02 2 243 . 42 TYR HB3 H 2.92 0.02 2 244 . 42 TYR HD1 H 7.08 0.02 1 245 . 42 TYR HD2 H 7.08 0.02 1 246 . 43 LYS N N 122.4 0.1 1 247 . 43 LYS H H 8.15 0.02 1 248 . 43 LYS HA H 4.12 0.02 1 249 . 43 LYS HB2 H 1.70 0.02 1 250 . 43 LYS HB3 H 1.70 0.02 1 251 . 43 LYS HG2 H 1.28 0.02 1 252 . 43 LYS HG3 H 1.28 0.02 1 253 . 43 LYS HD2 H 1.61 0.02 1 254 . 43 LYS HD3 H 1.61 0.02 1 255 . 44 ASN N N 119.1 0.1 1 256 . 44 ASN H H 8.30 0.02 1 257 . 44 ASN HA H 4.71 0.02 1 258 . 44 ASN HB2 H 2.89 0.02 2 259 . 44 ASN HB3 H 2.77 0.02 2 260 . 45 THR N N 114.8 0.1 1 261 . 45 THR H H 8.09 0.02 1 262 . 45 THR HA H 4.25 0.02 1 263 . 45 THR HB H 4.20 0.02 1 264 . 45 THR HG2 H 1.20 0.02 1 265 . 46 LYS N N 123.1 0.1 1 266 . 46 LYS H H 8.23 0.02 1 267 . 46 LYS HA H 4.28 0.02 1 268 . 46 LYS HB2 H 1.77 0.02 1 269 . 46 LYS HB3 H 1.77 0.02 1 270 . 46 LYS HG2 H 1.37 0.02 1 271 . 46 LYS HG3 H 1.37 0.02 1 272 . 46 LYS HD2 H 1.67 0.02 1 273 . 46 LYS HD3 H 1.67 0.02 1 274 . 47 LEU N N 123.2 0.1 1 275 . 47 LEU H H 8.10 0.02 1 276 . 47 LEU HA H 4.30 0.02 1 277 . 47 LEU HB2 H 1.64 0.02 1 278 . 47 LEU HB3 H 1.64 0.02 1 279 . 47 LEU HG H 1.57 0.02 1 280 . 47 LEU HD1 H 0.87 0.02 1 281 . 47 LEU HD2 H 0.87 0.02 1 282 . 48 VAL N N 122.0 0.1 1 283 . 48 VAL H H 8.09 0.02 1 284 . 48 VAL HA H 4.05 0.02 1 285 . 48 VAL HB H 2.02 0.02 1 286 . 48 VAL HG1 H 0.89 0.02 2 287 . 48 VAL HG2 H 0.78 0.02 2 288 . 49 LYS N N 125.7 0.1 1 289 . 49 LYS H H 8.34 0.02 1 290 . 49 LYS HA H 4.31 0.02 1 291 . 49 LYS HB2 H 1.75 0.02 1 292 . 49 LYS HB3 H 1.75 0.02 1 293 . 49 LYS HG2 H 1.40 0.02 1 294 . 49 LYS HG3 H 1.40 0.02 1 295 . 49 LYS HD2 H 1.67 0.02 1 296 . 49 LYS HD3 H 1.67 0.02 1 297 . 50 LYS N N 123.8 0.1 1 298 . 50 LYS H H 8.34 0.02 1 299 . 50 LYS HA H 4.30 0.02 1 300 . 50 LYS HB2 H 1.75 0.02 1 301 . 50 LYS HB3 H 1.75 0.02 1 302 . 50 LYS HG2 H 1.46 0.02 2 303 . 50 LYS HG3 H 1.36 0.02 2 304 . 50 LYS HD2 H 1.65 0.02 1 305 . 50 LYS HD3 H 1.65 0.02 1 306 . 51 ILE N N 122.9 0.1 1 307 . 51 ILE H H 8.23 0.02 1 308 . 51 ILE HA H 4.09 0.02 1 309 . 51 ILE HB H 1.76 0.02 1 310 . 51 ILE HG12 H 1.38 0.02 2 311 . 51 ILE HG13 H 1.14 0.02 2 312 . 51 ILE HD1 H 0.76 0.02 1 313 . 52 ASP N N 124.5 0.1 1 314 . 52 ASP H H 8.45 0.02 1 315 . 52 ASP HA H 4.61 0.02 1 316 . 52 ASP HB2 H 2.73 0.02 2 317 . 52 ASP HB3 H 2.64 0.02 2 318 . 53 HIS N N 120.1 0.1 1 319 . 53 HIS H H 8.53 0.02 1 320 . 53 HIS HA H 4.65 0.02 1 321 . 53 HIS HB2 H 3.29 0.02 2 322 . 53 HIS HB3 H 3.16 0.02 2 323 . 54 ALA N N 124.6 0.1 1 324 . 54 ALA H H 8.34 0.02 1 325 . 54 ALA HA H 4.44 0.02 1 326 . 54 ALA HB H 1.38 0.02 1 327 . 55 LYS N N 121.0 0.1 1 328 . 55 LYS H H 8.28 0.02 1 329 . 55 LYS HA H 4.28 0.02 1 330 . 55 LYS HB2 H 1.78 0.02 1 331 . 55 LYS HB3 H 1.78 0.02 1 332 . 55 LYS HG2 H 1.44 0.02 1 333 . 55 LYS HG3 H 1.44 0.02 1 334 . 55 LYS HD2 H 1.70 0.02 1 335 . 55 LYS HD3 H 1.70 0.02 1 336 . 56 VAL N N 122.1 0.1 1 337 . 56 VAL H H 8.09 0.02 1 338 . 56 VAL HA H 4.05 0.02 1 339 . 56 VAL HB H 2.02 0.02 1 340 . 56 VAL HG1 H 0.90 0.02 1 341 . 56 VAL HG2 H 0.90 0.02 1 342 . 57 ARG N N 125.7 0.1 1 343 . 57 ARG H H 8.43 0.02 1 344 . 57 ARG HA H 4.33 0.02 1 345 . 57 ARG HB2 H 1.78 0.02 2 346 . 57 ARG HB3 H 1.70 0.02 2 347 . 57 ARG HG2 H 1.58 0.02 1 348 . 57 ARG HG3 H 1.58 0.02 1 349 . 57 ARG HD2 H 3.20 0.02 1 350 . 57 ARG HD3 H 3.20 0.02 1 351 . 58 LYS N N 122.8 0.1 1 352 . 58 LYS H H 8.34 0.02 1 353 . 58 LYS HA H 4.23 0.02 1 354 . 58 LYS HB2 H 1.70 0.02 1 355 . 58 LYS HB3 H 1.70 0.02 1 356 . 58 LYS HG2 H 1.42 0.02 2 357 . 58 LYS HG3 H 1.29 0.02 2 358 . 58 LYS HD2 H 1.63 0.02 1 359 . 58 LYS HD3 H 1.63 0.02 1 360 . 59 HIS N N 119.6 0.1 1 361 . 59 HIS H H 8.59 0.02 1 362 . 59 HIS HA H 4.68 0.02 1 363 . 59 HIS HB2 H 3.26 0.02 2 364 . 59 HIS HB3 H 3.17 0.02 2 365 . 60 GLN N N 122.4 0.1 1 366 . 60 GLN H H 8.49 0.02 1 367 . 60 GLN HA H 4.33 0.02 1 368 . 60 GLN HB2 H 2.46 0.02 2 369 . 60 GLN HB3 H 2.57 0.02 2 370 . 60 GLN HG2 H 2.34 0.02 1 371 . 60 GLN HG3 H 2.34 0.02 1 372 . 61 ARG N N 122.2 0.1 1 373 . 61 ARG H H 8.31 0.02 1 374 . 61 ARG HA H 4.29 0.02 1 375 . 61 ARG HB2 H 1.80 0.02 1 376 . 61 ARG HB3 H 1.80 0.02 1 377 . 61 ARG HG2 H 1.63 0.02 1 378 . 61 ARG HG3 H 1.63 0.02 1 379 . 62 LYS N N 122.4 0.1 1 380 . 62 LYS H H 8.33 0.02 1 381 . 62 LYS HA H 4.27 0.02 1 382 . 62 LYS HB2 H 1.77 0.02 1 383 . 62 LYS HB3 H 1.77 0.02 1 384 . 62 LYS HG2 H 1.41 0.02 1 385 . 62 LYS HG3 H 1.41 0.02 1 386 . 62 LYS HD2 H 1.67 0.02 1 387 . 62 LYS HD3 H 1.67 0.02 1 388 . 63 PHE N N 121.7 0.1 1 389 . 63 PHE H H 8.27 0.02 1 390 . 63 PHE HA H 4.60 0.02 1 391 . 63 PHE HB2 H 3.12 0.02 2 392 . 63 PHE HB3 H 2.99 0.02 2 393 . 64 LEU N N 123.9 0.1 1 394 . 64 LEU H H 8.19 0.02 1 395 . 64 LEU HA H 4.27 0.02 1 396 . 64 LEU HB2 H 1.59 0.02 1 397 . 64 LEU HB3 H 1.59 0.02 1 398 . 64 LEU HG H 1.50 0.02 1 399 . 64 LEU HD1 H 0.85 0.02 1 400 . 64 LEU HD2 H 0.85 0.02 1 401 . 65 GLN N N 121.1 0.1 1 402 . 65 GLN H H 8.25 0.02 1 403 . 65 GLN HA H 4.27 0.02 1 404 . 65 GLN HB2 H 2.06 0.02 2 405 . 65 GLN HB3 H 1.95 0.02 2 406 . 65 GLN HG2 H 2.36 0.02 1 407 . 65 GLN HG3 H 2.36 0.02 1 408 . 66 ALA N N 125.5 0.1 1 409 . 66 ALA H H 8.26 0.02 1 410 . 66 ALA HA H 4.26 0.02 1 411 . 66 ALA HB H 1.34 0.02 1 412 . 67 ILE N N 119.4 0.1 1 413 . 67 ILE H H 8.02 0.02 1 414 . 67 ILE HA H 4.07 0.02 1 415 . 67 ILE HB H 1.78 0.02 1 416 . 67 ILE HG2 H 0.80 0.02 1 417 . 67 ILE HG12 H 1.35 0.02 2 418 . 67 ILE HG13 H 1.11 0.02 2 419 . 68 HIS N N 121.9 0.1 1 420 . 68 HIS H H 8.52 0.02 1 421 . 68 HIS HA H 4.71 0.02 1 422 . 68 HIS HB2 H 3.25 0.02 2 423 . 68 HIS HB3 H 3.16 0.02 2 424 . 69 GLN N N 121.9 0.1 1 425 . 69 GLN H H 8.40 0.02 1 426 . 69 GLN HA H 4.33 0.02 1 427 . 69 GLN HB2 H 2.06 0.02 2 428 . 69 GLN HB3 H 1.95 0.02 2 429 . 69 GLN HG2 H 2.33 0.02 1 430 . 69 GLN HG3 H 2.33 0.02 1 431 . 70 LEU N N 124.2 0.1 1 432 . 70 LEU H H 8.39 0.02 1 433 . 70 LEU HA H 4.31 0.02 1 434 . 70 LEU HB2 H 1.67 0.02 1 435 . 70 LEU HB3 H 1.67 0.02 1 436 . 70 LEU HG H 1.57 0.02 1 437 . 70 LEU HD1 H 0.88 0.02 1 438 . 70 LEU HD2 H 0.88 0.02 1 439 . 71 ARG N N 122.1 0.1 1 440 . 71 ARG H H 8.39 0.02 1 441 . 71 ARG HA H 4.33 0.02 1 442 . 71 ARG HB2 H 1.81 0.02 1 443 . 71 ARG HB3 H 1.81 0.02 1 444 . 71 ARG HG2 H 1.62 0.02 1 445 . 71 ARG HG3 H 1.62 0.02 1 446 . 72 SER N N 117.0 0.1 1 447 . 72 SER H H 8.29 0.02 1 448 . 72 SER HA H 4.45 0.02 1 449 . 72 SER HB2 H 3.86 0.02 1 450 . 72 SER HB3 H 3.86 0.02 1 451 . 73 VAL N N 122.2 0.1 1 452 . 73 VAL H H 8.16 0.02 1 453 . 73 VAL HA H 4.10 0.02 1 454 . 73 VAL HB H 2.10 0.02 1 455 . 73 VAL HG1 H 0.93 0.02 2 456 . 73 VAL HG2 H 0.81 0.02 2 457 . 74 LYS N N 124.2 0.1 1 458 . 74 LYS H H 8.31 0.02 1 459 . 74 LYS HA H 4.26 0.02 1 460 . 74 LYS HB2 H 1.81 0.02 2 461 . 74 LYS HB3 H 1.71 0.02 2 462 . 74 LYS HG2 H 1.45 0.02 2 463 . 74 LYS HG3 H 1.35 0.02 2 464 . 75 MET N N 121.5 0.1 1 465 . 75 MET H H 8.33 0.02 1 466 . 75 MET HA H 4.38 0.02 1 467 . 75 MET HB2 H 2.06 0.02 2 468 . 75 MET HB3 H 1.99 0.02 2 469 . 75 MET HG2 H 2.60 0.02 2 470 . 75 MET HG3 H 2.51 0.02 2 471 . 76 GLU N N 121.8 0.1 1 472 . 76 GLU H H 8.37 0.02 1 473 . 76 GLU HA H 4.28 0.02 1 474 . 76 GLU HB2 H 2.11 0.02 2 475 . 76 GLU HB3 H 2.00 0.02 2 476 . 76 GLU HG2 H 2.38 0.02 1 477 . 76 GLU HG3 H 2.38 0.02 1 478 . 77 GLN N N 121.4 0.1 1 479 . 77 GLN H H 8.39 0.02 1 480 . 77 GLN HA H 4.29 0.02 1 481 . 77 GLN HB2 H 2.08 0.02 2 482 . 77 GLN HB3 H 1.99 0.02 2 483 . 77 GLN HG2 H 2.37 0.02 1 484 . 77 GLN HG3 H 2.37 0.02 1 485 . 78 ARG N N 123.4 0.1 1 486 . 78 ARG H H 8.50 0.02 1 487 . 78 ARG HA H 4.27 0.02 1 488 . 78 ARG HB2 H 1.75 0.02 1 489 . 78 ARG HB3 H 1.75 0.02 1 490 . 78 ARG HG2 H 1.65 0.02 2 491 . 78 ARG HG3 H 1.55 0.02 2 492 . 78 ARG HD2 H 3.18 0.02 1 493 . 78 ARG HD3 H 3.18 0.02 1 494 . 79 LYS N N 122.5 0.1 1 495 . 79 LYS H H 8.33 0.02 1 496 . 79 LYS HA H 4.25 0.02 1 497 . 79 LYS HB2 H 1.79 0.02 1 498 . 79 LYS HB3 H 1.79 0.02 1 499 . 79 LYS HG2 H 1.41 0.02 1 500 . 79 LYS HG3 H 1.41 0.02 1 501 . 80 LEU N N 123.4 0.1 1 502 . 80 LEU H H 8.27 0.02 1 503 . 80 LEU HA H 4.30 0.02 1 504 . 80 LEU HB2 H 1.65 0.02 1 505 . 80 LEU HB3 H 1.65 0.02 1 506 . 80 LEU HG H 1.54 0.02 1 507 . 80 LEU HD1 H 0.86 0.02 1 508 . 80 LEU HD2 H 0.86 0.02 1 509 . 81 ASN N N 119.1 0.1 1 510 . 81 ASN H H 8.42 0.02 1 511 . 81 ASN HA H 4.70 0.02 1 512 . 81 ASN HB2 H 2.86 0.02 2 513 . 81 ASN HB3 H 2.76 0.02 2 514 . 82 ASP N N 120.0 0.1 1 515 . 82 ASP H H 8.35 0.02 1 516 . 82 ASP HA H 4.66 0.02 1 517 . 82 ASP HB2 H 2.80 0.02 1 518 . 82 ASP HB3 H 2.80 0.02 1 519 . 83 GLN N N 120.5 0.1 1 520 . 83 GLN H H 8.33 0.02 1 521 . 83 GLN HA H 4.31 0.02 1 522 . 83 GLN HB2 H 2.15 0.02 2 523 . 83 GLN HB3 H 2.00 0.02 2 524 . 83 GLN HG2 H 2.36 0.02 1 525 . 83 GLN HG3 H 2.36 0.02 1 526 . 84 ALA N N 124.2 0.1 1 527 . 84 ALA H H 8.27 0.02 1 528 . 84 ALA HA H 4.26 0.02 1 529 . 84 ALA HB H 1.38 0.02 1 530 . 85 ASN N N 117.6 0.1 1 531 . 85 ASN H H 8.36 0.02 1 532 . 85 ASN HA H 4.71 0.02 1 533 . 85 ASN HB2 H 2.85 0.02 2 534 . 85 ASN HB3 H 2.76 0.02 2 535 . 86 THR N N 114.3 0.1 1 536 . 86 THR H H 8.06 0.02 1 537 . 86 THR HA H 4.26 0.02 1 538 . 86 THR HG2 H 1.20 0.02 1 539 . 87 LEU N N 124.1 0.1 1 540 . 87 LEU H H 8.21 0.02 1 541 . 87 LEU HA H 4.33 0.02 1 542 . 87 LEU HB2 H 1.68 0.02 1 543 . 87 LEU HB3 H 1.68 0.02 1 544 . 87 LEU HG H 1.58 0.02 1 545 . 87 LEU HD1 H 0.90 0.02 1 546 . 87 LEU HD2 H 0.90 0.02 1 547 . 88 VAL N N 120.4 0.1 1 548 . 88 VAL H H 7.95 0.02 1 549 . 88 VAL HA H 4.01 0.02 1 550 . 88 VAL HB H 2.04 0.02 1 551 . 88 VAL HG1 H 0.91 0.02 1 552 . 88 VAL HG2 H 0.91 0.02 1 553 . 89 ASP N N 122.6 0.1 1 554 . 89 ASP H H 8.36 0.02 1 555 . 89 ASP HA H 4.64 0.02 1 556 . 89 ASP HB2 H 2.88 0.02 2 557 . 89 ASP HB3 H 2.73 0.02 2 558 . 90 LEU N N 123.8 0.1 1 559 . 90 LEU H H 8.27 0.02 1 560 . 90 LEU HA H 4.27 0.02 1 561 . 90 LEU HB2 H 1.68 0.02 1 562 . 90 LEU HB3 H 1.68 0.02 1 563 . 90 LEU HG H 1.58 0.02 1 564 . 90 LEU HD1 H 0.88 0.02 1 565 . 90 LEU HD2 H 0.88 0.02 1 566 . 91 ALA N N 123.1 0.1 1 567 . 91 ALA H H 8.17 0.02 1 568 . 91 ALA HA H 4.24 0.02 1 569 . 91 ALA HB H 1.42 0.02 1 570 . 92 LYS N N 119.1 0.1 1 571 . 92 LYS H H 8.05 0.02 1 572 . 92 LYS HA H 4.23 0.02 1 573 . 92 LYS HB2 H 1.85 0.02 1 574 . 92 LYS HB3 H 1.85 0.02 1 575 . 92 LYS HG2 H 1.41 0.02 1 576 . 92 LYS HG3 H 1.41 0.02 1 577 . 92 LYS HD2 H 1.51 0.02 1 578 . 92 LYS HD3 H 1.51 0.02 1 579 . 93 THR N N 114.1 0.1 1 580 . 93 THR H H 8.00 0.02 1 581 . 93 THR HA H 4.25 0.02 1 582 . 93 THR HB H 4.21 0.02 1 583 . 93 THR HG2 H 1.20 0.02 1 584 . 94 GLN N N 121.9 0.1 1 585 . 94 GLN H H 8.27 0.02 1 586 . 94 GLN HA H 4.28 0.02 1 587 . 94 GLN HB2 H 2.11 0.02 2 588 . 94 GLN HB3 H 2.02 0.02 2 589 . 94 GLN HG2 H 2.37 0.02 1 590 . 94 GLN HG3 H 2.37 0.02 1 591 . 95 LEU N N 122.1 0.1 1 592 . 95 LEU H H 8.05 0.02 1 593 . 95 LEU HA H 4.24 0.02 1 594 . 95 LEU HB2 H 1.65 0.02 1 595 . 95 LEU HB3 H 1.65 0.02 1 596 . 95 LEU HG H 1.54 0.02 1 597 . 95 LEU HD1 H 0.83 0.02 1 598 . 95 LEU HD2 H 0.83 0.02 1 599 . 96 GLU N N 119.7 0.1 1 600 . 96 GLU H H 8.11 0.02 1 601 . 96 GLU HA H 4.19 0.02 1 602 . 96 GLU HB2 H 1.91 0.02 1 603 . 96 GLU HB3 H 1.91 0.02 1 604 . 96 GLU HG2 H 2.32 0.02 1 605 . 96 GLU HG3 H 2.32 0.02 1 606 . 97 HIS N N 118.4 0.1 1 607 . 97 HIS H H 8.36 0.02 1 608 . 97 HIS HA H 4.66 0.02 1 609 . 97 HIS HB2 H 3.21 0.02 2 610 . 97 HIS HB3 H 3.09 0.02 2 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CaMBD _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 . 2 GLY CA C 43.3 0.1 1 2 . 3 ARG N N 121.0 0.1 1 3 . 3 ARG H H 8.60 0.02 1 4 . 3 ARG CA C 56.3 0.1 1 5 . 4 LYS N N 123.7 0.1 1 6 . 4 LYS H H 8.51 0.02 1 7 . 4 LYS CA C 56.5 0.1 1 8 . 5 LEU N N 124.6 0.1 1 9 . 5 LEU H H 8.35 0.02 1 10 . 5 LEU CA C 55.3 0.1 1 11 . 6 GLU N N 122.2 0.1 1 12 . 6 GLU H H 8.42 0.02 1 13 . 6 GLU CA C 55.9 0.1 1 14 . 7 LEU N N 123.7 0.1 1 15 . 7 LEU H H 8.33 0.02 1 16 . 7 LEU CA C 55.4 0.1 1 17 . 8 THR N N 114.8 0.1 1 18 . 8 THR H H 8.12 0.02 1 19 . 8 THR CA C 62.0 0.1 1 20 . 9 LYS N N 123.5 0.1 1 21 . 9 LYS H H 8.33 0.02 1 22 . 9 LYS CA C 56.9 0.1 1 23 . 10 ALA N N 124.6 0.1 1 24 . 10 ALA H H 8.24 0.02 1 25 . 10 ALA CA C 52.7 0.1 1 26 . 11 GLU N N 119.7 0.1 1 27 . 11 GLU H H 8.19 0.02 1 28 . 11 GLU CA C 56.1 0.1 1 29 . 12 LYS N N 122.0 0.1 1 30 . 12 LYS H H 8.23 0.02 1 31 . 12 LYS CA C 56.4 0.1 1 32 . 13 HIS N N 120.0 0.1 1 33 . 13 HIS H H 8.54 0.02 1 34 . 13 HIS CA C 55.0 0.1 1 35 . 14 VAL N N 120.9 0.1 1 36 . 14 VAL H H 8.14 0.02 1 37 . 14 VAL CA C 62.5 0.1 1 38 . 15 HIS N N 121.7 0.1 1 39 . 15 HIS H H 8.58 0.02 1 40 . 15 HIS CA C 54.9 0.1 1 41 . 16 ASN N N 121.2 0.1 1 42 . 16 ASN H H 8.43 0.02 1 43 . 16 ASN CA C 53.3 0.1 1 44 . 19 MET CA C 55.7 0.1 1 45 . 20 ASP N N 122.3 0.1 1 46 . 20 ASP H H 8.62 0.02 1 47 . 20 ASP CA C 54.0 0.1 1 48 . 21 THR N N 115.0 0.1 1 49 . 21 THR H H 8.21 0.02 1 50 . 21 THR CA C 62.4 0.1 1 51 . 22 GLN N N 122.0 0.1 1 52 . 22 GLN H H 8.42 0.02 1 53 . 22 GLN CA C 56.3 0.1 1 54 . 23 LEU N N 122.5 0.1 1 55 . 23 LEU H H 8.17 0.02 1 56 . 23 LEU CA C 55.7 0.1 1 57 . 24 THR N N 114.4 0.1 1 58 . 24 THR H H 8.01 0.02 1 59 . 24 THR CA C 62.3 0.1 1 60 . 25 LYS N N 123.5 0.1 1 61 . 25 LYS H H 8.20 0.02 1 62 . 25 LYS CA C 56.5 0.1 1 63 . 26 ARG CA C 56.3 0.1 1 64 . 27 VAL N N 121.7 0.1 1 65 . 27 VAL H H 8.16 0.02 1 66 . 27 VAL CA C 62.4 0.1 1 67 . 28 LYS N N 125.2 0.1 1 68 . 28 LYS H H 8.41 0.02 1 69 . 28 LYS CA C 56.7 0.1 1 70 . 29 ASN N N 120.0 0.1 1 71 . 29 ASN H H 8.43 0.02 1 72 . 29 ASN CA C 53.2 0.1 1 73 . 30 ALA N N 124.9 0.1 1 74 . 30 ALA H H 8.29 0.02 1 75 . 30 ALA CA C 52.9 0.1 1 76 . 31 ALA N N 122.7 0.1 1 77 . 31 ALA H H 8.21 0.02 1 78 . 31 ALA CA C 52.5 0.1 1 79 . 32 ALA N N 122.5 0.1 1 80 . 32 ALA H H 8.10 0.02 1 81 . 32 ALA CA C 52.8 0.1 1 82 . 33 ASN N N 117.6 0.1 1 83 . 33 ASN H H 8.28 0.02 1 84 . 33 ASN CA C 53.4 0.1 1 85 . 34 VAL N N 120.0 0.1 1 86 . 34 VAL H H 7.94 0.02 1 87 . 34 VAL CA C 62.6 0.1 1 88 . 35 LEU N N 125.2 0.1 1 89 . 35 LEU H H 8.22 0.02 1 90 . 35 LEU CA C 55.3 0.1 1 91 . 36 ARG N N 121.7 0.1 1 92 . 36 ARG H H 8.16 0.02 1 93 . 36 ARG CA C 55.9 0.1 1 94 . 37 GLU CA C 55.9 0.1 1 95 . 38 THR N N 114.3 0.1 1 96 . 38 THR H H 7.94 0.02 1 97 . 38 THR CA C 62.1 0.1 1 98 . 39 TRP N N 122.5 0.1 1 99 . 39 TRP H H 7.91 0.02 1 100 . 39 TRP CA C 56.9 0.1 1 101 . 41 ILE CA C 60.4 0.1 1 102 . 42 TYR N N 125.5 0.1 1 103 . 42 TYR H H 8.62 0.02 1 104 . 42 TYR CA C 58.1 0.1 1 105 . 43 LYS N N 125.0 0.1 1 106 . 43 LYS H H 8.22 0.02 1 107 . 43 LYS CA C 55.9 0.1 1 108 . 44 ASN N N 120.7 0.1 1 109 . 44 ASN H H 8.36 0.02 1 110 . 44 ASN CA C 53.2 0.1 1 111 . 45 THR N N 115.3 0.1 1 112 . 45 THR H H 8.16 0.02 1 113 . 45 THR CA C 62.2 0.1 1 114 . 46 LYS N N 123.5 0.1 1 115 . 46 LYS H H 8.27 0.02 1 116 . 46 LYS CA C 56.5 0.1 1 117 . 47 LEU N N 123.6 0.1 1 118 . 47 LEU H H 8.12 0.02 1 119 . 47 LEU CA C 55.1 0.1 1 120 . 48 VAL N N 122.5 0.1 1 121 . 48 VAL H H 8.11 0.02 1 122 . 48 VAL CA C 62.3 0.1 1 123 . 49 LYS N N 126.0 0.1 1 124 . 49 LYS H H 8.36 0.02 1 125 . 49 LYS CA C 56.2 0.1 1 126 . 50 LYS CA C 56.4 0.1 1 127 . 51 ILE N N 123.0 0.1 1 128 . 51 ILE H H 8.23 0.02 1 129 . 51 ILE CA C 60.8 0.1 1 130 . 52 ASP N N 124.9 0.1 1 131 . 52 ASP H H 8.42 0.02 1 132 . 52 ASP CA C 53.7 0.1 1 133 . 53 HIS N N 120.0 0.1 1 134 . 53 HIS H H 8.53 0.02 1 135 . 53 HIS CA C 55.6 0.1 1 136 . 54 ALA N N 124.6 0.1 1 137 . 54 ALA H H 8.36 0.02 1 138 . 54 ALA CA C 52.9 0.1 1 139 . 55 LYS N N 120.9 0.1 1 140 . 55 LYS H H 8.26 0.02 1 141 . 55 LYS CA C 56.5 0.1 1 142 . 56 VAL N N 121.7 0.1 1 143 . 56 VAL H H 8.07 0.02 1 144 . 56 VAL CA C 62.4 0.1 1 145 . 57 ARG N N 125.8 0.1 1 146 . 57 ARG H H 8.41 0.02 1 147 . 57 ARG CA C 56.0 0.1 1 148 . 58 LYS N N 122.7 0.1 1 149 . 58 LYS H H 8.33 0.02 1 150 . 58 LYS CA C 56.5 0.1 1 151 . 63 PHE N N 121.7 0.1 1 152 . 63 PHE H H 8.26 0.02 1 153 . 63 PHE CA C 57.7 0.1 1 154 . 64 LEU N N 123.9 0.1 1 155 . 64 LEU H H 8.18 0.02 1 156 . 64 LEU CA C 55.3 0.1 1 157 . 65 GLN N N 121.0 0.1 1 158 . 65 GLN H H 8.23 0.02 1 159 . 65 GLN CA C 56.0 0.1 1 160 . 66 ALA N N 125.3 0.1 1 161 . 66 ALA H H 8.25 0.02 1 162 . 66 ALA CA C 52.6 0.1 1 163 . 67 ILE N N 119.4 0.1 1 164 . 67 ILE H H 8.00 0.02 1 165 . 67 ILE CA C 61.4 0.1 1 166 . 68 HIS N N 121.9 0.1 1 167 . 68 HIS H H 8.51 0.02 1 168 . 68 HIS CA C 55.1 0.1 1 169 . 69 GLN N N 121.9 0.1 1 170 . 69 GLN H H 8.38 0.02 1 171 . 69 GLN CA C 56.0 0.1 1 172 . 70 LEU N N 124.2 0.1 1 173 . 70 LEU H H 8.38 0.02 1 174 . 70 LEU CA C 55.5 0.1 1 175 . 71 ARG N N 122.0 0.1 1 176 . 71 ARG H H 8.38 0.02 1 177 . 71 ARG CA C 56.3 0.1 1 178 . 72 SER N N 117.0 0.1 1 179 . 72 SER H H 8.29 0.02 1 180 . 72 SER CA C 58.3 0.1 1 181 . 73 VAL N N 122.2 0.1 1 182 . 73 VAL H H 8.14 0.02 1 183 . 73 VAL CA C 62.7 0.1 1 184 . 74 LYS N N 124.2 0.1 1 185 . 74 LYS H H 8.31 0.02 1 186 . 74 LYS CA C 56.8 0.1 1 187 . 75 MET N N 121.6 0.1 1 188 . 75 MET H H 8.32 0.02 1 189 . 75 MET CA C 55.9 0.1 1 190 . 77 GLN CA C 56.0 0.1 1 191 . 78 ARG N N 123.3 0.1 1 192 . 78 ARG H H 8.47 0.02 1 193 . 78 ARG CA C 56.5 0.1 1 194 . 79 LYS CA C 56.5 0.1 1 195 . 80 LEU N N 123.2 0.1 1 196 . 80 LEU H H 8.26 0.02 1 197 . 80 LEU CA C 55.5 0.1 1 198 . 81 ASN N N 119.0 0.1 1 199 . 81 ASN H H 8.41 0.02 1 200 . 81 ASN CA C 53.4 0.1 1 201 . 82 ASP N N 120.2 0.1 1 202 . 82 ASP H H 8.32 0.02 1 203 . 82 ASP CA C 54.1 0.1 1 204 . 83 GLN N N 120.3 0.1 1 205 . 83 GLN H H 8.31 0.02 1 206 . 83 GLN CA C 56.3 0.1 1 207 . 84 ALA N N 124.2 0.1 1 208 . 84 ALA H H 8.25 0.02 1 209 . 84 ALA CA C 53.1 0.1 1 210 . 85 ASN N N 117.4 0.1 1 211 . 85 ASN H H 8.35 0.02 1 212 . 85 ASN CA C 53.5 0.1 1 213 . 86 THR N N 114.3 0.1 1 214 . 86 THR H H 8.05 0.02 1 215 . 86 THR CA C 62.5 0.1 1 216 . 87 LEU N N 123.9 0.1 1 217 . 87 LEU H H 8.20 0.02 1 218 . 87 LEU CA C 55.8 0.1 1 219 . 88 VAL N N 120.4 0.1 1 220 . 88 VAL H H 7.93 0.02 1 221 . 88 VAL CA C 62.9 0.1 1 222 . 89 ASP N N 122.9 0.1 1 223 . 89 ASP H H 8.34 0.02 1 224 . 89 ASP CA C 54.0 0.1 1 225 . 90 LEU N N 123.6 0.1 1 226 . 90 LEU H H 8.25 0.02 1 227 . 90 LEU CA C 56.2 0.1 1 228 . 91 ALA N N 122.9 0.1 1 229 . 91 ALA H H 8.16 0.02 1 230 . 91 ALA CA C 53.5 0.1 1 231 . 92 LYS N N 119.0 0.1 1 232 . 92 LYS H H 8.02 0.02 1 233 . 92 LYS CA C 57.3 0.1 1 234 . 93 THR N N 114.0 0.1 1 235 . 93 THR H H 7.98 0.02 1 236 . 93 THR CA C 63.1 0.1 1 237 . 94 GLN N N 121.7 0.1 1 238 . 94 GLN H H 8.25 0.02 1 239 . 94 GLN CA C 56.6 0.1 1 240 . 95 LEU N N 122.0 0.1 1 241 . 95 LEU H H 8.03 0.02 1 242 . 95 LEU CA C 55.8 0.1 1 243 . 96 GLU N N 119.7 0.1 1 244 . 96 GLU H H 8.10 0.02 1 245 . 96 GLU CA C 56.4 0.1 1 246 . 97 HIS N N 118.4 0.1 1 247 . 97 HIS H H 8.36 0.02 1 248 . 97 HIS CA C 55.3 0.1 1 249 . 98 HIS N N 118.9 0.1 1 250 . 98 HIS H H 8.47 0.02 1 251 . 98 HIS CA C 55.4 0.1 1 252 . 100 HIS N N 119.4 0.1 1 253 . 100 HIS H H 8.57 0.02 1 254 . 100 HIS CA C 55.2 0.1 1 255 . 101 HIS N N 119.4 0.1 1 256 . 101 HIS H H 8.62 0.02 1 257 . 101 HIS CA C 55.9 0.1 1 stop_ save_ save_shift_set_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CaMBD _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 . 2 GLY C C 170.0 0.1 1 2 . 3 ARG N N 121.2 0.1 1 3 . 3 ARG H H 8.60 0.02 1 4 . 3 ARG C C 176.2 0.1 1 5 . 4 LYS N N 123.7 0.1 1 6 . 4 LYS H H 8.51 0.02 1 7 . 4 LYS C C 176.4 0.1 1 8 . 5 LEU N N 124.6 0.1 1 9 . 5 LEU H H 8.36 0.02 1 10 . 5 LEU C C 177.2 0.1 1 11 . 6 GLU N N 122.0 0.1 1 12 . 6 GLU H H 8.42 0.02 1 13 . 6 GLU C C 176.1 0.1 1 14 . 7 LEU N N 123.9 0.1 1 15 . 7 LEU H H 8.33 0.02 1 16 . 7 LEU C C 177.7 0.1 1 17 . 8 THR N N 114.8 0.1 1 18 . 8 THR H H 8.13 0.02 1 19 . 8 THR C C 174.7 0.1 1 20 . 9 LYS N N 123.5 0.1 1 21 . 9 LYS H H 8.33 0.02 1 22 . 9 LYS C C 176.5 0.1 1 23 . 10 ALA N N 124.6 0.1 1 24 . 10 ALA H H 8.24 0.02 1 25 . 10 ALA C C 177.9 0.1 1 26 . 11 GLU N N 119.7 0.1 1 27 . 11 GLU H H 8.20 0.02 1 28 . 11 GLU C C 176.2 0.1 1 29 . 12 LYS N N 121.9 0.1 1 30 . 12 LYS H H 8.24 0.02 1 31 . 12 LYS C C 176.3 0.1 1 32 . 13 HIS N N 120.0 0.1 1 33 . 13 HIS H H 8.54 0.02 1 34 . 13 HIS C C 174.3 0.1 1 35 . 14 VAL N N 120.9 0.1 1 36 . 14 VAL H H 8.14 0.02 1 37 . 14 VAL C C 175.8 0.1 1 38 . 15 HIS N N 121.9 0.1 1 39 . 15 HIS H H 8.58 0.02 1 40 . 15 HIS C C 173.7 0.1 1 41 . 16 ASN N N 121.2 0.1 1 42 . 16 ASN H H 8.43 0.02 1 43 . 21 THR C C 174.9 0.1 1 44 . 22 GLN N N 122.0 0.1 1 45 . 22 GLN H H 8.42 0.02 1 46 . 22 GLN C C 176.3 0.1 1 47 . 23 LEU N N 122.6 0.1 1 48 . 23 LEU H H 8.17 0.02 1 49 . 23 LEU C C 177.8 0.1 1 50 . 24 THR N N 114.4 0.1 1 51 . 24 THR H H 8.01 0.02 1 52 . 24 THR C C 174.6 0.1 1 53 . 25 LYS N N 123.6 0.1 1 54 . 25 LYS H H 8.20 0.02 1 55 . 26 ARG C C 176.4 0.1 1 56 . 27 VAL N N 121.7 0.1 1 57 . 27 VAL H H 8.16 0.02 1 58 . 27 VAL C C 176.2 0.1 1 59 . 28 LYS N N 125.2 0.1 1 60 . 28 LYS H H 8.42 0.02 1 61 . 28 LYS C C 176.3 0.1 1 62 . 29 ASN N N 120.2 0.1 1 63 . 29 ASN H H 8.43 0.02 1 64 . 29 ASN C C 175.0 0.1 1 65 . 30 ALA N N 124.9 0.1 1 66 . 30 ALA H H 8.30 0.02 1 67 . 30 ALA C C 177.6 0.1 1 68 . 31 ALA N N 122.7 0.1 1 69 . 31 ALA H H 8.21 0.02 1 70 . 31 ALA C C 177.7 0.1 1 71 . 32 ALA N N 122.3 0.1 1 72 . 32 ALA H H 8.11 0.02 1 73 . 32 ALA C C 177.7 0.1 1 74 . 33 ASN N N 117.6 0.1 1 75 . 33 ASN H H 8.28 0.02 1 76 . 33 ASN C C 175.3 0.1 1 77 . 34 VAL N N 120.2 0.1 1 78 . 34 VAL H H 7.94 0.02 1 79 . 34 VAL C C 175.5 0.1 1 80 . 35 LEU N N 124.0 0.1 1 81 . 35 LEU H H 8.18 0.02 1 82 . 35 LEU C C 177.0 0.1 1 83 . 36 ARG N N 122.2 0.1 1 84 . 36 ARG H H 8.24 0.02 1 85 . 47 LEU C C 176.7 0.1 1 86 . 48 VAL N N 121.7 0.1 1 87 . 48 VAL H H 8.08 0.02 1 88 . 48 VAL C C 175.9 0.1 1 89 . 49 LYS N N 126.2 0.1 1 90 . 49 LYS H H 8.36 0.02 1 91 . 49 LYS C C 176.2 0.1 1 92 . 50 LYS N N 123.9 0.1 1 93 . 50 LYS H H 8.36 0.02 1 94 . 50 LYS C C 176.3 0.1 1 95 . 51 ILE N N 123.0 0.1 1 96 . 51 ILE H H 8.23 0.02 1 97 . 51 ILE C C 175.6 0.1 1 98 . 52 ASP N N 124.9 0.1 1 99 . 52 ASP H H 8.42 0.02 1 100 . 52 ASP C C 175.9 0.1 1 101 . 53 HIS N N 120.0 0.1 1 102 . 53 HIS H H 8.53 0.02 1 103 . 53 HIS C C 174.3 0.1 1 104 . 54 ALA N N 124.7 0.1 1 105 . 54 ALA H H 8.36 0.02 1 106 . 54 ALA C C 177.9 0.1 1 107 . 55 LYS N N 120.9 0.1 1 108 . 55 LYS H H 8.26 0.02 1 109 . 55 LYS C C 176.7 0.1 1 110 . 56 VAL N N 122.0 0.1 1 111 . 56 VAL H H 8.07 0.02 1 112 . 56 VAL C C 176.1 0.1 1 113 . 57 ARG N N 125.8 0.1 1 114 . 57 ARG H H 8.42 0.02 1 115 . 57 ARG C C 176.2 0.1 1 116 . 58 LYS N N 122.7 0.1 1 117 . 58 LYS H H 8.34 0.02 1 118 . 58 LYS C C 176.5 0.1 1 119 . 59 HIS N N 119.6 0.1 1 120 . 59 HIS H H 8.58 0.02 1 121 . 59 HIS C C 174.3 0.1 1 122 . 60 GLN N N 122.3 0.1 1 123 . 60 GLN H H 8.47 0.02 1 124 . 60 GLN C C 176.1 0.1 1 125 . 61 ARG N N 122.5 0.1 1 126 . 61 ARG H H 8.30 0.02 1 127 . 61 ARG C C 176.3 0.1 1 128 . 62 LYS N N 122.5 0.1 1 129 . 62 LYS H H 8.33 0.02 1 130 . 62 LYS C C 176.2 0.1 1 131 . 63 PHE N N 121.4 0.1 1 132 . 63 PHE H H 8.26 0.02 1 133 . 63 PHE C C 175.5 0.1 1 134 . 64 LEU N N 123.9 0.1 1 135 . 64 LEU H H 8.18 0.02 1 136 . 64 LEU C C 177.0 0.1 1 137 . 65 GLN N N 121.2 0.1 1 138 . 65 GLN H H 8.23 0.02 1 139 . 65 GLN C C 175.7 0.1 1 140 . 66 ALA N N 125.5 0.1 1 141 . 66 ALA H H 8.25 0.02 1 142 . 66 ALA C C 177.7 0.1 1 143 . 67 ILE N N 119.4 0.1 1 144 . 67 ILE H H 8.00 0.02 1 145 . 67 ILE C C 176.3 0.1 1 146 . 68 HIS N N 122.0 0.1 1 147 . 68 HIS H H 8.50 0.02 1 148 . 68 HIS C C 174.2 0.1 1 149 . 69 GLN N N 121.9 0.1 1 150 . 69 GLN H H 8.39 0.02 1 151 . 69 GLN C C 175.8 0.1 1 152 . 70 LEU N N 124.2 0.1 1 153 . 70 LEU H H 8.38 0.02 1 154 . 70 LEU C C 177.4 0.1 1 155 . 71 ARG N N 122.0 0.1 1 156 . 71 ARG H H 8.38 0.02 1 157 . 71 ARG C C 176.3 0.1 1 158 . 72 SER N N 117.0 0.1 1 159 . 72 SER H H 8.29 0.02 1 160 . 72 SER C C 174.7 0.1 1 161 . 73 VAL N N 122.2 0.1 1 162 . 73 VAL H H 8.14 0.02 1 163 . 73 VAL C C 176.4 0.1 1 164 . 74 LYS N N 124.2 0.1 1 165 . 74 LYS H H 8.31 0.02 1 166 . 74 LYS C C 176.9 0.1 1 167 . 75 MET N N 121.6 0.1 1 168 . 75 MET H H 8.33 0.02 1 169 . 75 MET C C 176.5 0.1 1 170 . 76 GLU N N 121.7 0.1 1 171 . 76 GLU H H 8.38 0.02 1 172 . 76 GLU C C 176.4 0.1 1 173 . 77 GLN N N 121.4 0.1 1 174 . 77 GLN H H 8.38 0.02 1 175 . 77 GLN C C 175.8 0.1 1 176 . 78 ARG N N 123.5 0.1 1 177 . 78 ARG H H 8.47 0.02 1 178 . 79 LYS C C 176.7 0.1 1 179 . 80 LEU N N 123.3 0.1 1 180 . 80 LEU H H 8.26 0.02 1 181 . 80 LEU C C 177.3 0.1 1 182 . 81 ASN N N 118.9 0.1 1 183 . 81 ASN H H 8.41 0.02 1 184 . 81 ASN C C 175.1 0.1 1 185 . 82 ASP N N 120.2 0.1 1 186 . 82 ASP H H 8.31 0.02 1 187 . 82 ASP C C 176.0 0.1 1 188 . 83 GLN N N 120.2 0.1 1 189 . 83 GLN H H 8.30 0.02 1 190 . 83 GLN C C 176.0 0.1 1 191 . 84 ALA N N 124.2 0.1 1 192 . 84 ALA H H 8.26 0.02 1 193 . 84 ALA C C 177.7 0.1 1 194 . 85 ASN N N 117.6 0.1 1 195 . 85 ASN H H 8.35 0.02 1 196 . 85 ASN C C 175.6 0.1 1 197 . 86 THR N N 114.3 0.1 1 198 . 86 THR H H 8.06 0.02 1 199 . 86 THR C C 174.7 0.1 1 200 . 87 LEU N N 124.0 0.1 1 201 . 87 LEU H H 8.20 0.02 1 202 . 87 LEU C C 177.8 0.1 1 203 . 88 VAL N N 120.3 0.1 1 204 . 88 VAL H H 7.94 0.02 1 205 . 88 VAL C C 176.0 0.1 1 206 . 89 ASP N N 122.6 0.1 1 207 . 89 ASP H H 8.36 0.02 1 208 . 89 ASP C C 176.4 0.1 1 209 . 90 LEU N N 123.6 0.1 1 210 . 90 LEU H H 8.26 0.02 1 211 . 90 LEU C C 177.9 0.1 1 212 . 91 ALA N N 123.0 0.1 1 213 . 91 ALA H H 8.17 0.02 1 214 . 91 ALA C C 178.8 0.1 1 215 . 92 LYS N N 119.1 0.1 1 216 . 92 LYS H H 8.02 0.02 1 217 . 92 LYS C C 177.7 0.1 1 218 . 93 THR N N 113.8 0.1 1 219 . 93 THR H H 7.99 0.02 1 220 . 93 THR C C 175.3 0.1 1 221 . 94 GLN N N 121.9 0.1 1 222 . 94 GLN H H 8.26 0.02 1 223 . 94 GLN C C 176.5 0.1 1 224 . 95 LEU N N 122.0 0.1 1 225 . 95 LEU H H 8.04 0.02 1 226 . 95 LEU C C 177.7 0.1 1 227 . 96 GLU N N 119.9 0.1 1 228 . 96 GLU H H 8.11 0.02 1 229 . 96 GLU C C 176.4 0.1 1 230 . 97 HIS N N 118.3 0.1 1 231 . 97 HIS H H 8.36 0.02 1 stop_ save_ save_shift_set_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CaMBD _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 . 2 GLY CA C 43.2 0.1 1 2 . 3 ARG N N 121.0 0.1 1 3 . 3 ARG H H 8.60 0.02 1 4 . 3 ARG CA C 56.2 0.1 1 5 . 3 ARG CB C 31.2 0.1 1 6 . 4 LYS N N 123.8 0.1 1 7 . 4 LYS H H 8.51 0.02 1 8 . 4 LYS CA C 56.7 0.1 1 9 . 4 LYS CB C 32.9 0.1 1 10 . 5 LEU N N 124.7 0.1 1 11 . 5 LEU H H 8.35 0.02 1 12 . 6 GLU CA C 55.8 0.1 1 13 . 6 GLU CB C 29.3 0.1 1 14 . 7 LEU N N 123.8 0.1 1 15 . 7 LEU H H 8.32 0.02 1 16 . 7 LEU CA C 55.3 0.1 1 17 . 7 LEU CB C 42.4 0.1 1 18 . 8 THR N N 114.8 0.1 1 19 . 8 THR H H 8.12 0.02 1 20 . 8 THR CA C 62.0 0.1 1 21 . 8 THR CB C 69.9 0.1 1 22 . 9 LYS N N 123.5 0.1 1 23 . 9 LYS H H 8.33 0.02 1 24 . 9 LYS CA C 56.9 0.1 1 25 . 9 LYS CB C 32.9 0.1 1 26 . 10 ALA N N 124.7 0.1 1 27 . 10 ALA H H 8.24 0.02 1 28 . 10 ALA CA C 52.8 0.1 1 29 . 10 ALA CB C 19.1 0.1 1 30 . 11 GLU N N 119.7 0.1 1 31 . 11 GLU H H 8.19 0.02 1 32 . 11 GLU CA C 56.1 0.1 1 33 . 11 GLU CB C 29.6 0.1 1 34 . 12 LYS N N 121.9 0.1 1 35 . 12 LYS H H 8.23 0.02 1 36 . 12 LYS CA C 56.4 0.1 1 37 . 12 LYS CB C 33.1 0.1 1 38 . 13 HIS N N 119.9 0.1 1 39 . 13 HIS H H 8.53 0.02 1 40 . 13 HIS CA C 55.1 0.1 1 41 . 13 HIS CB C 28.9 0.1 1 42 . 14 VAL N N 120.9 0.1 1 43 . 14 VAL H H 8.14 0.02 1 44 . 14 VAL CA C 62.5 0.1 1 45 . 14 VAL CB C 32.8 0.1 1 46 . 15 HIS N N 121.8 0.1 1 47 . 15 HIS H H 8.59 0.02 1 48 . 15 HIS CA C 55.0 0.1 1 49 . 15 HIS CB C 29.1 0.1 1 50 . 16 ASN N N 121.0 0.1 1 51 . 16 ASN H H 8.43 0.02 1 52 . 16 ASN CA C 52.9 0.1 1 53 . 16 ASN CB C 38.7 0.1 1 54 . 17 PHE N N 120.9 0.1 1 55 . 17 PHE H H 8.27 0.02 1 56 . 18 MET CA C 55.0 0.1 1 57 . 18 MET CB C 28.9 0.1 1 58 . 19 MET N N 121.3 0.1 1 59 . 19 MET H H 8.19 0.02 1 60 . 19 MET CA C 55.9 0.1 1 61 . 19 MET CB C 33.5 0.1 1 62 . 20 ASP N N 120.6 0.1 1 63 . 20 ASP H H 8.36 0.02 1 64 . 20 ASP CA C 54.0 0.1 1 65 . 20 ASP CB C 39.6 0.1 1 66 . 21 THR N N 114.4 0.1 1 67 . 21 THR H H 8.11 0.02 1 68 . 21 THR CA C 62.4 0.1 1 69 . 21 THR CB C 69.5 0.1 1 70 . 22 GLN N N 122.1 0.1 1 71 . 22 GLN H H 8.42 0.02 1 72 . 22 GLN CA C 56.4 0.1 1 73 . 22 GLN CB C 29.1 0.1 1 74 . 23 LEU N N 122.5 0.1 1 75 . 23 LEU H H 8.17 0.02 1 76 . 23 LEU CA C 55.6 0.1 1 77 . 23 LEU CB C 42.2 0.1 1 78 . 24 THR N N 114.4 0.1 1 79 . 24 THR H H 8.01 0.02 1 80 . 24 THR CA C 62.5 0.1 1 81 . 24 THR CB C 69.6 0.1 1 82 . 25 LYS N N 123.8 0.1 1 83 . 25 LYS H H 8.20 0.02 1 84 . 25 LYS CA C 55.2 0.1 1 85 . 25 LYS CB C 28.9 0.1 1 86 . 26 ARG N N 120.8 0.1 1 87 . 26 ARG H H 8.13 0.02 1 88 . 26 ARG CA C 56.3 0.1 1 89 . 26 ARG CB C 30.8 0.1 1 90 . 27 VAL N N 121.6 0.1 1 91 . 27 VAL H H 8.15 0.02 1 92 . 27 VAL CA C 62.5 0.1 1 93 . 27 VAL CB C 32.8 0.1 1 94 . 28 LYS N N 125.6 0.1 1 95 . 28 LYS H H 8.42 0.02 1 96 . 28 LYS CA C 56.2 0.1 1 97 . 28 LYS CB C 33.1 0.1 1 98 . 29 ASN N N 120.2 0.1 1 99 . 29 ASN H H 8.42 0.02 1 100 . 29 ASN CA C 53.2 0.1 1 101 . 29 ASN CB C 38.8 0.1 1 102 . 30 ALA N N 125.0 0.1 1 103 . 30 ALA H H 8.29 0.02 1 104 . 30 ALA CA C 53.0 0.1 1 105 . 31 ALA N N 122.8 0.1 1 106 . 31 ALA H H 8.21 0.02 1 107 . 31 ALA CA C 52.5 0.1 1 108 . 31 ALA CB C 19.1 0.1 1 109 . 32 ALA N N 122.4 0.1 1 110 . 32 ALA H H 8.11 0.02 1 111 . 32 ALA CA C 52.8 0.1 1 112 . 32 ALA CB C 19.3 0.1 1 113 . 33 ASN N N 117.4 0.1 1 114 . 33 ASN H H 8.28 0.02 1 115 . 33 ASN CA C 53.4 0.1 1 116 . 33 ASN CB C 38.7 0.1 1 117 . 34 VAL N N 120.0 0.1 1 118 . 34 VAL H H 7.93 0.02 1 119 . 34 VAL CA C 63.0 0.1 1 120 . 34 VAL CB C 32.4 0.1 1 121 . 35 LEU N N 124.4 0.1 1 122 . 35 LEU H H 8.15 0.02 1 123 . 36 ARG CA C 56.7 0.1 1 124 . 36 ARG CB C 30.5 0.1 1 125 . 37 GLU N N 120.5 0.1 1 126 . 37 GLU H H 8.22 0.02 1 127 . 37 GLU CA C 56.4 0.1 1 128 . 37 GLU CB C 28.6 0.1 1 129 . 38 THR N N 114.4 0.1 1 130 . 38 THR H H 8.02 0.02 1 131 . 38 THR CA C 63.0 0.1 1 132 . 38 THR CB C 69.4 0.1 1 133 . 39 TRP N N 121.8 0.1 1 134 . 39 TRP H H 7.89 0.02 1 135 . 39 TRP CA C 57.6 0.1 1 136 . 39 TRP CB C 29.1 0.1 1 137 . 40 LEU N N 122.1 0.1 1 138 . 40 LEU H H 7.81 0.02 1 139 . 40 LEU CA C 55.9 0.1 1 140 . 40 LEU CB C 42.1 0.1 1 141 . 41 ILE N N 119.7 0.1 1 142 . 41 ILE H H 7.76 0.02 1 143 . 41 ILE CA C 61.8 0.1 1 144 . 41 ILE CB C 32.7 0.1 1 145 . 42 TYR N N 123.1 0.1 1 146 . 42 TYR H H 8.08 0.02 1 147 . 42 TYR CA C 58.3 0.1 1 148 . 42 TYR CB C 38.6 0.1 1 149 . 43 LYS N N 122.4 0.1 1 150 . 43 LYS H H 8.14 0.02 1 151 . 43 LYS CA C 56.9 0.1 1 152 . 43 LYS CB C 32.8 0.1 1 153 . 44 ASN N N 119.2 0.1 1 154 . 44 ASN H H 8.30 0.02 1 155 . 44 ASN CA C 53.4 0.1 1 156 . 44 ASN CB C 38.7 0.1 1 157 . 45 THR N N 114.4 0.1 1 158 . 45 THR H H 8.05 0.02 1 159 . 45 THR CA C 62.3 0.1 1 160 . 45 THR CB C 69.6 0.1 1 161 . 46 LYS N N 123.5 0.1 1 162 . 46 LYS H H 8.27 0.02 1 163 . 46 LYS CA C 56.6 0.1 1 164 . 46 LYS CB C 32.9 0.1 1 165 . 47 LEU N N 123.1 0.1 1 166 . 47 LEU H H 8.09 0.02 1 167 . 47 LEU CA C 55.2 0.1 1 168 . 47 LEU CB C 42.5 0.1 1 169 . 48 VAL N N 121.9 0.1 1 170 . 48 VAL H H 8.07 0.02 1 171 . 48 VAL CA C 62.3 0.1 1 172 . 48 VAL CB C 32.7 0.1 1 173 . 49 LYS N N 126.1 0.1 1 174 . 49 LYS H H 8.36 0.02 1 175 . 50 LYS CA C 56.4 0.1 1 176 . 50 LYS CB C 33.1 0.1 1 177 . 51 ILE N N 123.1 0.1 1 178 . 51 ILE H H 8.23 0.02 1 179 . 51 ILE CA C 60.8 0.1 1 180 . 51 ILE CB C 38.8 0.1 1 181 . 52 ASP N N 124.8 0.1 1 182 . 52 ASP H H 8.42 0.02 1 183 . 52 ASP CA C 53.6 0.1 1 184 . 52 ASP CB C 40.6 0.1 1 185 . 53 HIS N N 120.0 0.1 1 186 . 53 HIS H H 8.53 0.02 1 187 . 53 HIS CA C 55.6 0.1 1 188 . 53 HIS CB C 28.9 0.1 1 189 . 54 ALA N N 124.7 0.1 1 190 . 54 ALA H H 8.35 0.02 1 191 . 54 ALA CA C 52.8 0.1 1 192 . 54 ALA CB C 19.2 0.1 1 193 . 55 LYS N N 120.9 0.1 1 194 . 55 LYS H H 8.26 0.02 1 195 . 55 LYS CA C 56.6 0.1 1 196 . 55 LYS CB C 32.9 0.1 1 197 . 56 VAL N N 121.8 0.1 1 198 . 56 VAL H H 8.08 0.02 1 199 . 56 VAL CA C 62.4 0.1 1 200 . 56 VAL CB C 33.0 0.1 1 201 . 57 ARG N N 125.6 0.1 1 202 . 57 ARG H H 8.46 0.02 1 203 . 57 ARG CA C 56.5 0.1 1 204 . 57 ARG CB C 30.8 0.1 1 205 . 58 LYS N N 122.8 0.1 1 206 . 58 LYS H H 8.32 0.02 1 207 . 58 LYS CA C 56.5 0.1 1 208 . 58 LYS CB C 33.1 0.1 1 209 . 59 HIS N N 119.5 0.1 1 210 . 59 HIS H H 8.58 0.02 1 211 . 59 HIS CA C 55.4 0.1 1 212 . 59 HIS CB C 29.0 0.1 1 213 . 60 GLN N N 122.4 0.1 1 214 . 60 GLN H H 8.47 0.02 1 215 . 60 GLN CA C 56.3 0.1 1 216 . 60 GLN CB C 29.4 0.1 1 217 . 61 ARG N N 122.2 0.1 1 218 . 61 ARG H H 8.30 0.02 1 219 . 62 LYS CA C 56.7 0.1 1 220 . 62 LYS CB C 33.1 0.1 1 221 . 63 PHE N N 121.6 0.1 1 222 . 63 PHE H H 8.25 0.02 1 223 . 63 PHE CA C 57.7 0.1 1 224 . 63 PHE CB C 39.6 0.1 1 225 . 64 LEU N N 124.0 0.1 1 226 . 64 LEU H H 8.18 0.02 1 227 . 64 LEU CA C 55.3 0.1 1 228 . 64 LEU CB C 42.3 0.1 1 229 . 65 GLN N N 121.0 0.1 1 230 . 65 GLN H H 8.23 0.02 1 231 . 65 GLN CA C 55.9 0.1 1 232 . 65 GLN CB C 29.6 0.1 1 233 . 66 ALA N N 125.3 0.1 1 234 . 66 ALA H H 8.25 0.02 1 235 . 66 ALA CA C 52.7 0.1 1 236 . 66 ALA CB C 19.2 0.1 1 237 . 67 ILE N N 119.5 0.1 1 238 . 67 ILE H H 8.01 0.02 1 239 . 67 ILE CA C 62.5 0.1 1 240 . 67 ILE CB C 32.8 0.1 1 241 . 68 HIS N N 121.9 0.1 1 242 . 68 HIS H H 8.50 0.02 1 243 . 68 HIS CA C 55.6 0.1 1 244 . 68 HIS CB C 32.8 0.1 1 245 . 69 GLN N N 121.9 0.1 1 246 . 69 GLN H H 8.37 0.02 1 247 . 69 GLN CA C 56.1 0.1 1 248 . 69 GLN CB C 29.6 0.1 1 249 . 70 LEU N N 124.1 0.1 1 250 . 70 LEU H H 8.38 0.02 1 251 . 70 LEU CA C 55.4 0.1 1 252 . 70 LEU CB C 42.3 0.1 1 253 . 71 ARG N N 121.9 0.1 1 254 . 71 ARG H H 8.37 0.02 1 255 . 71 ARG CA C 56.3 0.1 1 256 . 71 ARG CB C 30.8 0.1 1 257 . 72 SER N N 117.1 0.1 1 258 . 72 SER H H 8.29 0.02 1 259 . 72 SER CA C 58.4 0.1 1 260 . 72 SER CB C 63.8 0.1 1 261 . 73 VAL N N 122.2 0.1 1 262 . 73 VAL H H 8.14 0.02 1 263 . 73 VAL CA C 62.8 0.1 1 264 . 73 VAL CB C 32.6 0.1 1 265 . 74 LYS N N 124.2 0.1 1 266 . 74 LYS H H 8.31 0.02 1 267 . 74 LYS CA C 56.9 0.1 1 268 . 74 LYS CB C 32.9 0.1 1 269 . 75 MET N N 121.6 0.1 1 270 . 75 MET H H 8.32 0.02 1 271 . 76 GLU CA C 56.5 0.1 1 272 . 76 GLU CB C 29.4 0.1 1 273 . 77 GLN N N 121.3 0.1 1 274 . 77 GLN H H 8.37 0.02 1 275 . 77 GLN CA C 56.0 0.1 1 276 . 77 GLN CB C 29.7 0.1 1 277 . 78 ARG N N 123.4 0.1 1 278 . 78 ARG H H 8.48 0.02 1 279 . 79 LYS CA C 56.7 0.1 1 280 . 79 LYS CB C 33.1 0.1 1 281 . 80 LEU N N 123.2 0.1 1 282 . 80 LEU H H 8.25 0.02 1 283 . 80 LEU CA C 55.4 0.1 1 284 . 80 LEU CB C 42.3 0.1 1 285 . 81 ASN N N 119.0 0.1 1 286 . 81 ASN H H 8.41 0.02 1 287 . 81 ASN CA C 53.3 0.1 1 288 . 81 ASN CB C 38.7 0.1 1 289 . 82 ASP N N 120.2 0.1 1 290 . 82 ASP H H 8.32 0.02 1 291 . 82 ASP CA C 54.1 0.1 1 292 . 82 ASP CB C 39.8 0.1 1 293 . 83 GLN N N 120.3 0.1 1 294 . 83 GLN H H 8.31 0.02 1 295 . 83 GLN CA C 56.3 0.1 1 296 . 83 GLN CB C 29.2 0.1 1 297 . 84 ALA N N 124.1 0.1 1 298 . 84 ALA H H 8.26 0.02 1 299 . 84 ALA CA C 53.1 0.1 1 300 . 84 ALA CB C 19.1 0.1 1 301 . 85 ASN N N 117.4 0.1 1 302 . 85 ASN H H 8.35 0.02 1 303 . 85 ASN CA C 53.4 0.1 1 304 . 85 ASN CB C 38.5 0.1 1 305 . 86 THR N N 114.7 0.1 1 306 . 86 THR H H 8.08 0.02 1 307 . 86 THR CA C 62.4 0.1 1 308 . 86 THR CB C 69.7 0.1 1 309 . 87 LEU N N 124.0 0.1 1 310 . 87 LEU H H 8.21 0.02 1 311 . 87 LEU CA C 55.8 0.1 1 312 . 87 LEU CB C 42.0 0.1 1 313 . 88 VAL N N 120.5 0.1 1 314 . 88 VAL H H 7.94 0.02 1 315 . 88 VAL CA C 63.1 0.1 1 316 . 88 VAL CB C 32.6 0.1 1 317 . 89 ASP N N 122.8 0.1 1 318 . 89 ASP H H 8.34 0.02 1 319 . 89 ASP CA C 53.9 0.1 1 320 . 89 ASP CB C 39.6 0.1 1 321 . 90 LEU N N 123.8 0.1 1 322 . 90 LEU H H 8.25 0.02 1 323 . 90 LEU CA C 56.3 0.1 1 324 . 90 LEU CB C 42.0 0.1 1 325 . 91 ALA N N 122.9 0.1 1 326 . 91 ALA H H 8.16 0.02 1 327 . 91 ALA CA C 53.4 0.1 1 328 . 91 ALA CB C 18.6 0.1 1 329 . 92 LYS N N 119.0 0.1 1 330 . 92 LYS H H 8.03 0.02 1 331 . 92 LYS CA C 57.4 0.1 1 332 . 92 LYS CB C 32.7 0.1 1 333 . 93 THR N N 113.9 0.1 1 334 . 93 THR H H 7.98 0.02 1 335 . 93 THR CA C 63.0 0.1 1 336 . 93 THR CB C 69.5 0.1 1 337 . 94 GLN N N 121.9 0.1 1 338 . 94 GLN H H 8.26 0.02 1 339 . 94 GLN CA C 56.6 0.1 1 340 . 94 GLN CB C 29.1 0.1 1 341 . 95 LEU N N 122.2 0.1 1 342 . 95 LEU H H 8.04 0.02 1 343 . 95 LEU CA C 55.8 0.1 1 344 . 95 LEU CB C 42.3 0.1 1 345 . 96 GLU N N 119.7 0.1 1 346 . 96 GLU H H 8.10 0.02 1 347 . 96 GLU CA C 56.4 0.1 1 348 . 96 GLU CB C 29.3 0.1 1 349 . 97 HIS N N 118.4 0.1 1 350 . 97 HIS H H 8.36 0.02 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name CaMBD _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 ARG H 3 ARG HA 6.6 . . 0.1 2 3JHNHA 4 LYS H 4 LYS HA 7.0 . . 0.1 3 3JHNHA 9 LYS H 9 LYS HA 6.9 . . 0.1 4 3JHNHA 11 GLU H 11 GLU HA 7.0 . . 0.1 5 3JHNHA 13 HIS H 13 HIS HA 7.5 . . 0.1 6 3JHNHA 15 HIS H 15 HIS HA 7.5 . . 0.1 7 3JHNHA 25 LYS H 25 LYS HA 6.5 . . 0.1 8 3JHNHA 27 VAL H 27 VAL HA 7.7 . . 0.1 9 3JHNHA 29 ASN H 29 ASN HA 7.4 . . 0.1 10 3JHNHA 30 ALA H 30 ALA HA 5.7 . . 0.1 11 3JHNHA 31 ALA H 31 ALA HA 6.2 . . 0.1 12 3JHNHA 33 ASN H 33 ASN HA 7.4 . . 0.1 13 3JHNHA 35 LEU H 35 LEU HA 6.7 . . 0.1 14 3JHNHA 37 GLU H 37 GLU HA 6.6 . . 0.1 15 3JHNHA 39 TRP H 39 TRP HA 6.6 . . 0.1 16 3JHNHA 40 LEU H 40 LEU HA 6.8 . . 0.1 17 3JHNHA 41 ILE H 41 ILE HA 7.6 . . 0.1 18 3JHNHA 44 ASN H 44 ASN HA 7.4 . . 0.1 19 3JHNHA 49 LYS H 49 LYS HA 7.2 . . 0.1 20 3JHNHA 52 ASP H 52 ASP HA 7.3 . . 0.1 21 3JHNHA 60 GLN H 60 GLN HA 6.8 . . 0.1 22 3JHNHA 66 ALA H 66 ALA HA 6.0 . . 0.1 23 3JHNHA 67 ILE H 67 ILE HA 7.6 . . 0.1 24 3JHNHA 68 HIS H 68 HIS HA 7.7 . . 0.1 25 3JHNHA 70 LEU H 70 LEU HA 6.7 . . 0.1 26 3JHNHA 72 SER H 72 SER HA 7.0 . . 0.1 27 3JHNHA 74 LYS H 74 LYS HA 6.6 . . 0.1 28 3JHNHA 78 ARG H 78 ARG HA 6.5 . . 0.1 29 3JHNHA 81 ASN H 81 ASN HA 7.4 . . 0.1 30 3JHNHA 82 ASP H 82 ASP HA 7.4 . . 0.1 31 3JHNHA 83 GLN H 83 GLN HA 7.3 . . 0.1 32 3JHNHA 85 ASN H 85 ASN HA 7.3 . . 0.1 33 3JHNHA 90 LEU H 90 LEU HA 6.4 . . 0.1 34 3JHNHA 91 ALA H 91 ALA HA 5.2 . . 0.1 35 3JHNHA 92 LYS H 92 LYS HA 6.6 . . 0.1 36 3JHNHA 96 GLU H 96 GLU HA 6.8 . . 0.1 37 3JHNHA 97 HIS H 97 HIS HA 8.0 . . 0.1 stop_ save_