data_6385 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for pleckstrin human DEP domain ; _BMRB_accession_number 6385 _BMRB_flat_file_name bmr6385.str _Entry_type original _Submission_date 2004-11-10 _Accession_date 2004-11-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Civera Concepcion . . 2 Simon Bernd . . 3 Stier Gunter . . 4 Sattler Michael . . 5 Macias Maria J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 901 "13C chemical shifts" 328 "15N chemical shifts" 112 "coupling constants" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-01-14 original author . stop_ _Original_release_date 2005-01-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and dynamics of the human pleckstrin DEP domain: distinct molecular features of a novel DEP domain subfamily. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15573383 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Civera Concepcion . . 2 Simon Bernd . . 3 Stier Gunter . . 4 Sattler Michael . . 5 Macias Maria J. . stop_ _Journal_abbreviation Proteins _Journal_volume 58 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 354 _Page_last 366 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_h-_DEP _Saveframe_category molecular_system _Mol_system_name 'human pleckstrin Dep domain' _Abbreviation_common 'h- DEP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DEP monomer' $DEP_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DEP_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pleckstrin _Abbreviation_common pleckstrin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; METIDLGALYLSMKDTEKGI KELNLEKDKKIFNHCFTGNC VIDWLVSNQSVRNRQEGLMI ASSLLNEGYLQPAGDMSKSA VDGTAENPFLDNPDAFYYFP DSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLU 3 2 THR 4 3 ILE 5 4 ASP 6 5 LEU 7 6 GLY 8 7 ALA 9 8 LEU 10 9 TYR 11 10 LEU 12 11 SER 13 12 MET 14 13 LYS 15 14 ASP 16 15 THR 17 16 GLU 18 17 LYS 19 18 GLY 20 19 ILE 21 20 LYS 22 21 GLU 23 22 LEU 24 23 ASN 25 24 LEU 26 25 GLU 27 26 LYS 28 27 ASP 29 28 LYS 30 29 LYS 31 30 ILE 32 31 PHE 33 32 ASN 34 33 HIS 35 34 CYS 36 35 PHE 37 36 THR 38 37 GLY 39 38 ASN 40 39 CYS 41 40 VAL 42 41 ILE 43 42 ASP 44 43 TRP 45 44 LEU 46 45 VAL 47 46 SER 48 47 ASN 49 48 GLN 50 49 SER 51 50 VAL 52 51 ARG 53 52 ASN 54 53 ARG 55 54 GLN 56 55 GLU 57 56 GLY 58 57 LEU 59 58 MET 60 59 ILE 61 60 ALA 62 61 SER 63 62 SER 64 63 LEU 65 64 LEU 66 65 ASN 67 66 GLU 68 67 GLY 69 68 TYR 70 69 LEU 71 70 GLN 72 71 PRO 73 72 ALA 74 73 GLY 75 74 ASP 76 75 MET 77 76 SER 78 77 LYS 79 78 SER 80 79 ALA 81 80 VAL 82 81 ASP 83 82 GLY 84 83 THR 85 84 ALA 86 85 GLU 87 86 ASN 88 87 PRO 89 88 PHE 90 89 LEU 91 90 ASP 92 91 ASN 93 92 PRO 94 93 ASP 95 94 ALA 96 95 PHE 97 96 TYR 98 97 TYR 99 98 PHE 100 99 PRO 101 100 ASP 102 101 SER 103 102 GLY 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 BMRB 6873 C-PH 99.03 360 100.00 100.00 3.87e-66 PDB 1W4M "Structure Of The Human Pleckstrin Dep Domain By Multidimensional Nmr" 99.03 103 100.00 100.00 1.10e-68 PDB 2CSO "Solution Structure Of The Dep Domain Of Human Pleckstrin" 99.03 127 100.00 100.00 1.63e-68 DBJ BAD92204 "PLEK protein variant [Homo sapiens]" 99.03 308 100.00 100.00 1.87e-66 DBJ BAG36495 "unnamed protein product [Homo sapiens]" 99.03 350 100.00 100.00 3.31e-66 DBJ BAI47103 "pleckstrin [synthetic construct]" 99.03 350 100.00 100.00 3.31e-66 EMBL CAA30564 "unnamed protein product [Homo sapiens]" 99.03 350 100.00 100.00 3.93e-66 EMBL CAG46853 "PLEK [Homo sapiens]" 99.03 350 100.00 100.00 3.24e-66 EMBL CAG46876 "PLEK [Homo sapiens]" 99.03 350 100.00 100.00 3.53e-66 EMBL CAH04268 "protein kinase C activity reporter protein [synthetic construct]" 99.03 722 100.00 100.00 7.11e-63 GB AAH18549 "Pleckstrin [Homo sapiens]" 99.03 350 100.00 100.00 3.24e-66 GB AAP36299 "Homo sapiens pleckstrin [synthetic construct]" 99.03 351 100.00 100.00 2.92e-66 GB AAX37008 "pleckstrin [synthetic construct]" 99.03 351 100.00 100.00 3.12e-66 GB AAX43402 "pleckstrin [synthetic construct]" 99.03 351 100.00 100.00 2.92e-66 GB AAX93121 "unknown [Homo sapiens]" 99.03 350 100.00 100.00 3.31e-66 PRF 1408254A "protein kinase C substrate protein P47" 99.03 350 100.00 100.00 3.76e-66 REF NP_002655 "pleckstrin [Homo sapiens]" 99.03 350 100.00 100.00 3.31e-66 REF XP_001094492 "PREDICTED: pleckstrin [Macaca mulatta]" 99.03 350 100.00 100.00 3.38e-66 REF XP_002811995 "PREDICTED: pleckstrin [Pongo abelii]" 99.03 350 98.04 98.04 9.94e-65 REF XP_003262529 "PREDICTED: pleckstrin [Nomascus leucogenys]" 99.03 350 99.02 100.00 1.37e-65 REF XP_003830964 "PREDICTED: pleckstrin [Pan paniscus]" 99.03 350 100.00 100.00 3.10e-66 SP P08567 "RecName: Full=Pleckstrin; AltName: Full=Platelet 47 kDa protein; Short=p47 [Homo sapiens]" 99.03 350 100.00 100.00 3.31e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DEP_monomer Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $DEP_monomer 'recombinant technology' . . . . . 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 $DEP_monomer . mM 0.5 1.5 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _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 $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_1 save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_H(CC)(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH _Sample_label $sample_1 save_ save_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HBCBCCDHD_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCCDHD _Sample_label $sample_1 save_ save_HBCBCCDCEHE_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCCDCEHE _Sample_label $sample_1 save_ save_2D_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_2DNOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 2DNOESY _Sample_label $sample_1 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 HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCCDHD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCCDCEHE _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name 2DNOESY _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 pH 6.5 0.2 n/a temperature 295 0.2 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'DEP monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 53.978 0.000 1 2 . 1 MET HA H 4.414 0.003 1 3 . 1 MET CB C 30.163 0.000 1 4 . 1 MET HB2 H 2.068 0.003 1 5 . 2 GLU CA C 55.014 0.000 1 6 . 2 GLU HA H 4.298 0.010 1 7 . 2 GLU CB C 27.575 0.000 1 8 . 2 GLU HB2 H 2.091 0.007 1 9 . 2 GLU HB3 H 2.041 0.000 1 10 . 2 GLU CG C 34.305 0.000 1 11 . 2 GLU HG2 H 2.301 0.002 1 12 . 3 THR HA H 4.258 0.000 1 13 . 3 THR CB C 67.260 0.000 1 14 . 3 THR HB H 4.280 0.000 1 15 . 3 THR HG2 H 1.201 0.002 1 16 . 3 THR CG2 C 19.651 0.000 1 17 . 4 ILE CA C 58.638 0.000 1 18 . 4 ILE HA H 4.106 0.000 1 19 . 4 ILE CB C 37.243 0.000 1 20 . 4 ILE HB H 1.817 0.000 1 21 . 4 ILE HG2 H 0.818 0.000 1 22 . 4 ILE CG2 C 15.150 0.000 1 23 . 4 ILE CG1 C 25.504 0.000 1 24 . 4 ILE HG12 H 1.539 0.000 1 25 . 4 ILE HG13 H 1.155 0.000 1 26 . 4 ILE HD1 H 0.885 0.000 1 27 . 4 ILE CD1 C 10.490 0.000 1 28 . 5 ASP CA C 50.755 0.000 1 29 . 5 ASP HA H 4.725 0.000 1 30 . 5 ASP CB C 38.695 0.000 1 31 . 5 ASP HB2 H 2.921 0.000 1 32 . 5 ASP HB3 H 2.580 0.016 1 33 . 6 LEU CA C 55.078 0.000 1 34 . 6 LEU HA H 3.836 0.004 1 35 . 6 LEU CB C 39.093 0.000 1 36 . 6 LEU HB2 H 1.817 0.000 1 37 . 6 LEU HB3 H 1.266 0.000 1 38 . 6 LEU CG C 23.951 0.000 1 39 . 6 LEU HG H 1.818 0.000 1 40 . 6 LEU HD1 H 0.943 0.000 1 41 . 6 LEU HD2 H 0.758 0.000 1 42 . 6 LEU CD1 C 23.951 0.000 1 43 . 6 LEU CD2 C 20.327 0.000 1 44 . 7 GLY CA C 45.207 0.000 1 45 . 7 GLY HA2 H 3.922 0.000 1 46 . 7 GLY HA3 H 3.539 0.001 1 47 . 8 ALA CA C 52.133 0.000 1 48 . 8 ALA HA H 4.125 0.004 1 49 . 8 ALA HB H 1.417 0.003 1 50 . 8 ALA CB C 16.263 0.000 1 51 . 9 LEU CA C 55.532 0.000 1 52 . 9 LEU HA H 4.130 0.000 1 53 . 9 LEU CB C 40.078 0.000 1 54 . 9 LEU HB2 H 1.773 0.003 1 55 . 9 LEU HB3 H 1.661 0.000 1 56 . 9 LEU CG C 24.499 0.000 1 57 . 9 LEU HG H 0.875 0.005 1 58 . 9 LEU HD1 H 1.042 0.000 1 59 . 9 LEU HD2 H 0.728 0.000 1 60 . 9 LEU CD1 C 21.440 0.000 1 61 . 10 TYR CA C 58.120 0.000 1 62 . 10 TYR HA H 3.967 0.004 1 63 . 10 TYR CB C 35.850 0.000 1 64 . 10 TYR HB2 H 2.801 0.002 1 65 . 10 TYR HB3 H 2.467 0.002 1 66 . 10 TYR HD1 H 6.908 0.000 1 67 . 10 TYR HE1 H 6.837 0.003 1 68 . 10 TYR CD1 C 130.668 0.000 1 69 . 10 TYR CE1 C 100.654 0.000 1 70 . 11 LEU CA C 56.127 0.000 1 71 . 11 LEU HA H 3.439 0.004 1 72 . 11 LEU CB C 38.867 0.000 1 73 . 11 LEU HB2 H 1.793 0.005 1 74 . 11 LEU HB3 H 1.396 0.000 1 75 . 11 LEU CG C 20.327 0.000 1 76 . 11 LEU HG H 0.758 0.000 1 77 . 11 LEU HD1 H 0.886 0.000 1 78 . 11 LEU CD1 C 22.915 0.000 1 79 . 12 SER CA C 59.673 0.000 1 80 . 12 SER HA H 4.251 0.000 1 81 . 12 SER CB C 60.700 0.000 1 82 . 12 SER HB2 H 4.258 0.000 1 83 . 12 SER HB3 H 4.130 0.000 1 84 . 13 MET CA C 56.567 0.000 1 85 . 13 MET HA H 2.886 0.000 1 86 . 13 MET CB C 31.199 0.000 1 87 . 13 MET HB2 H 1.761 0.002 1 88 . 13 MET HB3 H 1.501 0.004 1 89 . 13 MET CG C 30.500 0.000 1 90 . 13 MET HG2 H 2.039 0.000 1 91 . 13 MET HG3 H 1.045 0.002 1 92 . 13 MET HE H 1.754 0.000 1 93 . 13 MET CE C 15.228 0.000 1 94 . 14 LYS CA C 52.943 0.000 1 95 . 14 LYS HA H 3.864 0.002 1 96 . 14 LYS CB C 29.185 0.000 1 97 . 14 LYS HB2 H 1.126 0.003 1 98 . 14 LYS CG C 20.845 0.000 1 99 . 14 LYS HG2 H 0.530 0.000 1 100 . 14 LYS HG3 H 0.448 0.000 1 101 . 14 LYS CD C 26.022 0.000 1 102 . 14 LYS HD2 H 0.804 0.000 1 103 . 14 LYS CE C 38.784 0.000 1 104 . 14 LYS HE2 H 2.574 0.003 1 105 . 14 LYS HE3 H 2.427 0.002 1 106 . 15 ASP CA C 52.943 0.000 1 107 . 15 ASP HA H 4.359 0.000 1 108 . 15 ASP CB C 41.974 0.000 1 109 . 15 ASP HB2 H 2.748 0.005 1 110 . 15 ASP HB3 H 2.599 0.000 1 111 . 16 THR CA C 62.918 0.000 1 112 . 16 THR HA H 3.967 0.000 1 113 . 16 THR CB C 66.696 0.000 1 114 . 16 THR HB H 4.275 0.000 1 115 . 16 THR HG2 H 1.337 0.000 1 116 . 16 THR CG2 C 19.901 0.000 1 117 . 17 GLU CA C 56.049 0.000 1 118 . 17 GLU HA H 4.476 0.000 1 119 . 17 GLU CB C 28.905 0.000 1 120 . 17 GLU HB2 H 2.123 0.000 1 121 . 17 GLU CG C 34.305 0.000 1 122 . 17 GLU HG2 H 2.307 0.000 1 123 . 17 GLU HG3 H 2.203 0.000 1 124 . 18 LYS CA C 53.978 0.000 1 125 . 18 LYS HA H 4.652 0.000 1 126 . 18 LYS CB C 31.278 0.000 1 127 . 18 LYS HB2 H 2.127 0.000 1 128 . 18 LYS HB3 H 1.865 0.000 1 129 . 18 LYS CG C 22.398 0.000 1 130 . 18 LYS HG2 H 1.447 0.000 1 131 . 18 LYS CD C 27.178 0.000 1 132 . 18 LYS HD2 H 1.708 0.000 1 133 . 18 LYS CE C 39.558 0.000 1 134 . 18 LYS HE2 H 3.001 0.000 1 135 . 19 GLY CA C 42.667 0.000 1 136 . 19 GLY HA2 H 4.304 0.000 1 137 . 19 GLY HA3 H 4.003 0.000 1 138 . 20 ILE CA C 58.457 0.000 1 139 . 20 ILE HA H 3.638 0.000 1 140 . 20 ILE CB C 36.342 0.000 1 141 . 20 ILE HB H 0.959 0.000 1 142 . 20 ILE HG2 H 0.183 0.000 1 143 . 20 ILE CG2 C 12.123 0.000 1 144 . 20 ILE CG1 C 25.504 0.000 1 145 . 20 ILE HG12 H 0.700 0.000 1 146 . 20 ILE HG13 H 0.467 0.000 1 147 . 20 ILE HD1 H 0.051 0.000 1 148 . 20 ILE CD1 C 14.114 0.000 1 149 . 21 LYS CA C 52.943 0.000 1 150 . 21 LYS HA H 4.391 0.000 1 151 . 21 LYS CB C 29.858 0.000 1 152 . 21 LYS HB2 H 1.843 0.000 1 153 . 21 LYS CG C 21.880 0.000 1 154 . 21 LYS HG2 H 1.518 0.000 1 155 . 21 LYS CD C 26.100 0.000 1 156 . 21 LYS HD2 H 1.729 0.000 1 157 . 21 LYS CE C 40.601 0.000 1 158 . 21 LYS HE2 H 3.079 0.000 1 159 . 22 GLU CA C 53.978 0.000 1 160 . 22 GLU HA H 4.476 0.000 1 161 . 22 GLU CB C 28.610 0.000 1 162 . 22 GLU HB2 H 2.109 0.000 1 163 . 22 GLU HB3 H 1.927 0.000 1 164 . 22 GLU CG C 34.305 0.000 1 165 . 22 GLU HG2 H 2.477 0.002 1 166 . 22 GLU HG3 H 2.380 0.001 1 167 . 23 LEU CA C 52.425 0.000 1 168 . 23 LEU HA H 4.622 0.000 1 169 . 23 LEU CB C 42.589 0.000 1 170 . 23 LEU HB2 H 1.753 0.000 1 171 . 23 LEU HB3 H 1.515 0.000 1 172 . 23 LEU CG C 23.950 0.000 1 173 . 23 LEU HG H 1.036 0.009 1 174 . 23 LEU HD1 H 0.965 0.000 1 175 . 23 LEU HD2 H 0.753 0.000 1 176 . 23 LEU CD1 C 21.362 0.000 1 177 . 23 LEU CD2 C 23.951 0.000 1 178 . 24 ASN CA C 50.432 0.000 1 179 . 24 ASN HA H 5.216 0.001 1 180 . 24 ASN CB C 35.936 0.000 1 181 . 24 ASN HB2 H 2.755 0.000 1 182 . 24 ASN HB3 H 2.682 0.000 1 183 . 25 LEU CA C 51.986 0.000 1 184 . 25 LEU HA H 4.462 0.000 1 185 . 25 LEU CB C 42.070 0.000 1 186 . 25 LEU HB2 H 1.299 0.000 1 187 . 25 LEU CG C 20.845 0.000 1 188 . 25 LEU HG H 0.764 0.000 1 189 . 25 LEU HD1 H 0.460 0.000 1 190 . 25 LEU HD2 H 1.368 0.000 1 191 . 25 LEU CD1 C 22.915 0.000 1 192 . 25 LEU CD2 C 23.951 0.000 1 193 . 26 GLU CA C 53.461 0.000 1 194 . 26 GLU HA H 4.883 0.000 1 195 . 26 GLU CB C 29.128 0.000 1 196 . 26 GLU HB2 H 1.991 0.000 1 197 . 26 GLU HB3 H 1.868 0.000 1 198 . 26 GLU CG C 34.305 0.000 1 199 . 26 GLU HG2 H 2.090 0.000 1 200 . 27 LYS CA C 54.184 0.000 1 201 . 27 LYS HA H 4.366 0.000 1 202 . 27 LYS CB C 32.234 0.000 1 203 . 27 LYS HB2 H 1.830 0.006 1 204 . 27 LYS CG C 22.536 0.000 1 205 . 27 LYS HG2 H 1.369 0.000 1 206 . 27 LYS CD C 26.540 0.000 1 207 . 27 LYS HD2 H 1.601 0.000 1 208 . 27 LYS CE C 39.482 0.000 1 209 . 27 LYS HE2 H 2.849 0.000 1 210 . 28 ASP CA C 51.986 0.000 1 211 . 28 ASP HA H 4.744 0.000 1 212 . 28 ASP CB C 39.043 0.000 1 213 . 28 ASP HB2 H 2.804 0.000 1 214 . 29 LYS CA C 55.014 0.000 1 215 . 29 LYS HA H 3.991 0.000 1 216 . 29 LYS CB C 29.128 0.000 1 217 . 29 LYS HB2 H 1.953 0.000 1 218 . 29 LYS CG C 23.433 0.000 1 219 . 29 LYS HG2 H 1.424 0.000 1 220 . 29 LYS CD C 26.540 0.000 1 221 . 29 LYS HD2 H 1.665 0.000 1 222 . 29 LYS CE C 39.482 0.000 1 223 . 29 LYS HE2 H 2.985 0.004 1 224 . 30 LYS CA C 54.056 0.000 1 225 . 30 LYS HA H 4.255 0.000 1 226 . 30 LYS CB C 31.199 0.000 1 227 . 30 LYS HB2 H 1.792 0.000 1 228 . 30 LYS HB3 H 1.622 0.004 1 229 . 30 LYS CG C 22.398 0.000 1 230 . 30 LYS HG2 H 1.336 0.000 1 231 . 30 LYS HG3 H 1.215 0.000 1 232 . 30 LYS CD C 26.540 0.000 1 233 . 30 LYS HD2 H 1.632 0.000 1 234 . 30 LYS CE C 39.482 0.000 1 235 . 30 LYS HE2 H 2.923 0.000 1 236 . 31 ILE CA C 58.120 0.000 1 237 . 31 ILE HA H 4.201 0.000 1 238 . 31 ILE CB C 36.454 0.000 1 239 . 31 ILE HB H 1.526 0.000 1 240 . 31 ILE HG2 H 0.555 0.000 1 241 . 31 ILE CG2 C 15.150 0.000 1 242 . 31 ILE CG1 C 24.986 0.000 1 243 . 31 ILE HG12 H 1.189 0.000 1 244 . 31 ILE HG13 H 0.941 0.000 1 245 . 31 ILE HD1 H 0.658 0.000 1 246 . 31 ILE CD1 C 10.568 0.000 1 247 . 32 PHE CA C 55.092 0.000 1 248 . 32 PHE HA H 4.435 0.000 1 249 . 32 PHE CB C 36.978 0.000 1 250 . 32 PHE HB2 H 2.998 0.000 1 251 . 32 PHE HB3 H 2.581 0.003 1 252 . 32 PHE HD1 H 6.952 0.000 1 253 . 32 PHE HE1 H 7.136 0.004 1 254 . 32 PHE CD1 C 129.275 0.000 1 255 . 32 PHE CE1 C 126.890 0.000 1 256 . 32 PHE CZ C 128.340 0.000 1 257 . 32 PHE HZ H 7.155 0.012 1 258 . 33 ASN CA C 51.390 0.000 1 259 . 33 ASN HA H 4.669 0.000 1 260 . 33 ASN CB C 36.972 0.000 1 261 . 33 ASN HB2 H 2.482 0.000 1 262 . 33 ASN HB3 H 2.397 0.000 1 263 . 34 HIS CA C 53.978 0.000 1 264 . 34 HIS HA H 4.344 0.000 1 265 . 34 HIS CB C 25.504 0.000 1 266 . 34 HIS HB2 H 3.397 0.000 1 267 . 34 HIS CD2 C 51.908 0.000 1 268 . 34 HIS CE1 C 68.552 0.000 1 269 . 34 HIS HD2 H 7.249 0.007 1 270 . 34 HIS HE1 H 8.438 0.006 1 271 . 35 CYS CA C 55.532 0.000 1 272 . 35 CYS HA H 5.138 0.000 1 273 . 35 CYS CB C 29.206 0.000 1 274 . 35 CYS HB2 H 2.676 0.011 1 275 . 36 PHE CA C 52.425 0.000 1 276 . 36 PHE HA H 5.144 0.000 1 277 . 36 PHE CB C 38.450 0.000 1 278 . 36 PHE HB2 H 3.509 0.000 1 279 . 36 PHE HB3 H 3.065 0.005 1 280 . 36 PHE HD1 H 6.721 0.043 1 281 . 36 PHE HE1 H 6.637 0.004 1 282 . 36 PHE CD1 C 129.615 0.000 1 283 . 36 PHE CE1 C 127.669 0.000 1 284 . 36 PHE CZ C 125.991 0.000 1 285 . 36 PHE HZ H 5.700 0.002 1 286 . 37 THR CA C 58.638 0.000 1 287 . 37 THR HA H 5.553 0.000 1 288 . 37 THR CB C 69.588 0.000 1 289 . 37 THR HB H 4.805 0.000 1 290 . 37 THR HG2 H 1.157 0.000 1 291 . 37 THR CG2 C 21.440 0.000 1 292 . 38 GLY CA C 46.213 0.000 1 293 . 38 GLY HA2 H 4.871 0.000 1 294 . 38 GLY HA3 H 4.099 0.000 1 295 . 39 ASN CA C 54.101 0.000 1 296 . 39 ASN HA H 4.772 0.001 1 297 . 39 ASN CB C 34.904 0.000 1 298 . 39 ASN HB2 H 2.647 0.000 1 299 . 39 ASN HB3 H 2.527 0.000 1 300 . 40 CYS CA C 60.191 0.000 1 301 . 40 CYS HA H 4.322 0.000 1 302 . 40 CYS CB C 23.978 0.000 1 303 . 40 CYS HB2 H 3.335 0.000 1 304 . 40 CYS HB3 H 3.276 0.000 1 305 . 41 VAL CA C 64.109 0.000 1 306 . 41 VAL HA H 3.568 0.001 1 307 . 41 VAL CB C 29.206 0.000 1 308 . 41 VAL HB H 2.529 0.000 1 309 . 41 VAL HG1 H 0.574 0.000 1 310 . 41 VAL HG2 H 1.179 0.000 1 311 . 41 VAL CG1 C 17.738 0.000 1 312 . 41 VAL CG2 C 21.440 0.000 1 313 . 42 ILE CA C 61.744 0.000 1 314 . 42 ILE HA H 3.612 0.000 1 315 . 42 ILE CB C 33.787 0.000 1 316 . 42 ILE HB H 2.158 0.000 1 317 . 42 ILE HG2 H 0.920 0.001 1 318 . 42 ILE CG2 C 16.185 0.000 1 319 . 42 ILE CG1 C 26.022 0.000 1 320 . 42 ILE HG12 H 1.387 0.000 1 321 . 42 ILE HG13 H 0.779 0.004 1 322 . 42 ILE HD1 H 0.635 0.003 1 323 . 42 ILE CD1 C 9.015 0.000 1 324 . 43 ASP CA C 55.532 0.000 1 325 . 43 ASP HA H 4.236 0.006 1 326 . 43 ASP CB C 38.007 0.000 1 327 . 43 ASP HB2 H 2.936 0.000 1 328 . 43 ASP HB3 H 2.752 0.000 1 329 . 44 TRP CA C 60.191 0.000 1 330 . 44 TRP HA H 4.011 0.000 1 331 . 44 TRP CB C 26.617 0.000 1 332 . 44 TRP HB2 H 3.567 0.000 1 333 . 44 TRP HB3 H 3.335 0.000 1 334 . 44 TRP CD1 C 125.016 0.000 1 335 . 44 TRP CE3 C 119.408 0.000 1 336 . 44 TRP HD1 H 7.140 0.005 1 337 . 44 TRP HE3 H 7.204 0.000 1 338 . 44 TRP CZ3 C 120.761 0.000 1 339 . 44 TRP CZ2 C 113.513 0.000 1 340 . 44 TRP HZ3 H 6.854 0.002 1 341 . 44 TRP CH2 C 121.496 0.000 1 342 . 44 TRP HZ2 H 7.187 0.000 1 343 . 44 TRP HH2 H 6.942 0.000 1 344 . 45 LEU CA C 55.532 0.000 1 345 . 45 LEU HA H 3.974 0.000 1 346 . 45 LEU CB C 40.596 0.000 1 347 . 45 LEU HB2 H 2.171 0.003 1 348 . 45 LEU HB3 H 1.349 0.000 1 349 . 45 LEU CG C 24.286 0.000 1 350 . 45 LEU HG H 2.243 0.000 1 351 . 45 LEU HD1 H 1.121 0.002 1 352 . 45 LEU HD2 H 0.777 0.005 1 353 . 45 LEU CD1 C 22.993 0.000 1 354 . 45 LEU CD2 C 25.504 0.000 1 355 . 46 VAL CA C 63.375 0.000 1 356 . 46 VAL HA H 3.641 0.004 1 357 . 46 VAL CB C 28.610 0.000 1 358 . 46 VAL HB H 2.057 0.004 1 359 . 46 VAL HG1 H 0.751 0.002 1 360 . 46 VAL HG2 H 0.816 0.002 1 361 . 46 VAL CG1 C 19.369 0.000 1 362 . 47 SER CA C 59.234 0.000 1 363 . 47 SER HA H 4.146 0.000 1 364 . 47 SER CB C 60.540 0.000 1 365 . 47 SER HB2 H 3.838 0.000 1 366 . 48 ASN CA C 50.872 0.000 1 367 . 48 ASN HA H 4.413 0.000 1 368 . 48 ASN CB C 35.936 0.000 1 369 . 48 ASN HB2 H 2.033 0.000 1 370 . 48 ASN HB3 H 1.735 0.000 1 371 . 49 GLN CA C 54.496 0.000 1 372 . 49 GLN HA H 4.003 0.000 1 373 . 49 GLN CB C 23.433 0.000 1 374 . 49 GLN HB2 H 2.217 0.002 1 375 . 49 GLN CG C 32.053 0.000 1 376 . 49 GLN HG2 H 2.223 0.000 1 377 . 50 SER CA C 59.156 0.000 1 378 . 50 SER HA H 4.196 0.000 1 379 . 50 SER CB C 61.304 0.000 1 380 . 50 SER HB2 H 3.828 0.000 1 381 . 51 VAL CA C 56.254 0.000 1 382 . 51 VAL HA H 4.498 0.000 1 383 . 51 VAL CB C 32.515 0.000 1 384 . 51 VAL HB H 2.319 0.000 1 385 . 51 VAL HG1 H 0.754 0.006 1 386 . 51 VAL HG2 H 0.493 0.000 1 387 . 51 VAL CG1 C 20.405 0.000 1 388 . 51 VAL CG2 C 17.016 0.000 1 389 . 52 ARG CA C 55.040 0.000 1 390 . 52 ARG HA H 4.209 0.000 1 391 . 52 ARG CB C 29.206 0.000 1 392 . 52 ARG HB2 H 1.850 0.000 1 393 . 52 ARG HB3 H 1.761 0.000 1 394 . 52 ARG CG C 24.986 0.000 1 395 . 52 ARG HG2 H 1.721 0.000 1 396 . 52 ARG CD C 41.103 0.000 1 397 . 52 ARG HD2 H 3.212 0.000 1 398 . 53 ASN CA C 49.595 0.000 1 399 . 53 ASN HA H 4.714 0.000 1 400 . 53 ASN CB C 37.100 0.000 1 401 . 53 ASN HB2 H 3.177 0.000 1 402 . 54 ARG CA C 57.938 0.000 1 403 . 54 ARG HA H 3.640 0.000 1 404 . 54 ARG CB C 28.610 0.000 1 405 . 54 ARG HB2 H 1.977 0.000 1 406 . 54 ARG HB3 H 1.813 0.008 1 407 . 54 ARG CG C 26.617 0.000 1 408 . 54 ARG HG2 H 1.973 0.001 1 409 . 54 ARG HG3 H 1.214 0.001 1 410 . 54 ARG CD C 40.078 0.000 1 411 . 54 ARG HD2 H 3.434 0.000 1 412 . 54 ARG HD3 H 2.980 0.000 1 413 . 55 GLN CA C 57.602 0.000 1 414 . 55 GLN HA H 4.085 0.000 1 415 . 55 GLN CB C 24.986 0.000 1 416 . 55 GLN HB2 H 2.186 0.000 1 417 . 55 GLN HB3 H 2.115 0.000 1 418 . 55 GLN CG C 31.795 0.000 1 419 . 55 GLN HG2 H 2.435 0.000 1 420 . 56 GLU CA C 57.680 0.000 1 421 . 56 GLU HA H 4.123 0.000 1 422 . 56 GLU CB C 27.653 0.000 1 423 . 56 GLU HB2 H 2.076 0.000 1 424 . 56 GLU CG C 34.705 0.000 1 425 . 56 GLU HG2 H 2.586 0.000 1 426 . 56 GLU HG3 H 2.296 0.000 1 427 . 57 GLY CA C 46.341 0.000 1 428 . 57 GLY HA2 H 3.675 0.000 1 429 . 57 GLY HA3 H 3.451 0.005 1 430 . 58 LEU CA C 56.567 0.000 1 431 . 58 LEU HA H 3.802 0.001 1 432 . 58 LEU CB C 40.078 0.000 1 433 . 58 LEU HB2 H 1.904 0.006 1 434 . 58 LEU HB3 H 1.716 0.006 1 435 . 58 LEU CG C 22.728 0.000 1 436 . 58 LEU HG H 1.080 0.007 1 437 . 58 LEU HD1 H 1.709 0.003 1 438 . 58 LEU CD1 C 24.986 0.000 1 439 . 59 MET CA C 56.567 0.000 1 440 . 59 MET HA H 4.218 0.000 1 441 . 59 MET CB C 29.646 0.000 1 442 . 59 MET HB2 H 2.318 0.000 1 443 . 59 MET CG C 29.578 0.000 1 444 . 59 MET HG2 H 2.802 0.000 1 445 . 59 MET HG3 H 2.661 0.000 1 446 . 59 MET HE H 1.970 0.007 1 447 . 59 MET CE C 15.228 0.000 1 448 . 60 ILE CA C 60.528 0.000 1 449 . 60 ILE HA H 3.806 0.000 1 450 . 60 ILE CB C 34.305 0.000 1 451 . 60 ILE HB H 1.915 0.000 1 452 . 60 ILE HG2 H 0.704 0.000 1 453 . 60 ILE CG2 C 16.185 0.000 1 454 . 60 ILE CG1 C 26.022 0.000 1 455 . 60 ILE HG12 H 1.426 0.000 1 456 . 60 ILE HD1 H 0.774 0.000 1 457 . 60 ILE CD1 C 8.937 0.000 1 458 . 61 ALA CA C 53.461 0.000 1 459 . 61 ALA HA H 3.458 0.003 1 460 . 61 ALA HB H -0.062 0.000 1 461 . 61 ALA CB C 13.620 0.000 1 462 . 62 SER CA C 61.226 0.000 1 463 . 62 SER HA H 4.145 0.004 1 464 . 63 SER CA C 60.191 0.000 1 465 . 63 SER HA H 4.442 0.000 1 466 . 63 SER CB C 60.191 0.000 1 467 . 63 SER HB2 H 4.185 0.000 1 468 . 63 SER HB3 H 4.039 0.004 1 469 . 64 LEU CA C 56.049 0.000 1 470 . 64 LEU HA H 4.100 0.000 1 471 . 64 LEU CB C 40.078 0.000 1 472 . 64 LEU HB2 H 2.198 0.000 1 473 . 64 LEU HB3 H 1.258 0.000 1 474 . 64 LEU CG C 23.951 0.000 1 475 . 64 LEU HG H 1.801 0.000 1 476 . 64 LEU HD1 H 0.708 0.010 1 477 . 64 LEU HD2 H 0.737 0.000 1 478 . 64 LEU CD1 C 23.951 0.000 1 479 . 64 LEU CD2 C 22.398 0.000 1 480 . 65 LEU CA C 55.532 0.000 1 481 . 65 LEU HA H 4.534 0.004 1 482 . 65 LEU CB C 41.117 0.000 1 483 . 65 LEU HB2 H 2.219 0.000 1 484 . 65 LEU HB3 H 1.667 0.001 1 485 . 65 LEU CG C 24.288 0.000 1 486 . 65 LEU HG H 1.805 0.000 1 487 . 65 LEU HD1 H 1.079 0.001 1 488 . 65 LEU HD2 H 1.086 0.000 1 489 . 65 LEU CD1 C 22.398 0.000 1 490 . 65 LEU CD2 C 24.469 0.000 1 491 . 66 ASN CA C 53.280 0.000 1 492 . 66 ASN HA H 4.476 0.000 1 493 . 66 ASN CB C 36.412 0.000 1 494 . 66 ASN HB2 H 3.044 0.002 1 495 . 66 ASN HB3 H 2.950 0.000 1 496 . 67 GLU CA C 53.978 0.000 1 497 . 67 GLU HA H 4.350 0.000 1 498 . 67 GLU CB C 27.578 0.000 1 499 . 67 GLU HB2 H 2.266 0.000 1 500 . 67 GLU HB3 H 1.920 0.003 1 501 . 67 GLU CG C 34.580 0.000 1 502 . 67 GLU HG2 H 2.422 0.000 1 503 . 68 GLY CA C 43.346 0.000 1 504 . 68 GLY HA2 H 4.040 0.000 1 505 . 68 GLY HA3 H 3.752 0.000 1 506 . 69 TYR CA C 57.680 0.000 1 507 . 69 TYR HA H 3.971 0.002 1 508 . 69 TYR CB C 37.055 0.000 1 509 . 69 TYR HB2 H 2.875 0.000 1 510 . 69 TYR HB3 H 2.618 0.002 1 511 . 69 TYR HD1 H 6.340 0.002 1 512 . 69 TYR HE1 H 6.600 0.000 1 513 . 69 TYR CD1 C 129.633 0.000 1 514 . 69 TYR CE1 C 115.837 0.000 1 515 . 70 LEU CA C 50.328 0.000 1 516 . 70 LEU HA H 5.069 0.000 1 517 . 70 LEU CB C 45.039 0.000 1 518 . 70 LEU HB2 H 1.396 0.002 1 519 . 70 LEU CG C 24.986 0.000 1 520 . 70 LEU HG H 1.617 0.000 1 521 . 70 LEU HD1 H 0.994 0.000 1 522 . 70 LEU HD2 H 0.803 0.000 1 523 . 70 LEU CD1 C 23.433 0.000 1 524 . 70 LEU CD2 C 24.986 0.000 1 525 . 71 GLN CA C 49.878 0.000 1 526 . 71 GLN HA H 4.871 0.000 1 527 . 71 GLN CB C 29.128 0.000 1 528 . 71 GLN HB2 H 1.811 0.000 1 529 . 71 GLN HB3 H 0.736 0.000 1 530 . 71 GLN CG C 31.199 0.000 1 531 . 71 GLN HG2 H 2.138 0.002 1 532 . 71 GLN HG3 H 1.993 0.006 1 533 . 72 PRO CD C 48.284 0.001 1 534 . 72 PRO CA C 60.191 0.000 1 535 . 72 PRO HA H 4.591 0.000 1 536 . 72 PRO CB C 29.831 0.000 1 537 . 72 PRO HB2 H 1.992 0.004 1 538 . 72 PRO HB3 H 1.811 0.003 1 539 . 72 PRO CG C 24.986 0.000 1 540 . 72 PRO HG2 H 2.302 0.000 1 541 . 72 PRO HG3 H 2.126 0.000 1 542 . 72 PRO HD2 H 3.847 0.002 1 543 . 72 PRO HD3 H 3.739 0.004 1 544 . 73 ALA CA C 48.879 0.000 1 545 . 73 ALA HA H 4.578 0.000 1 546 . 73 ALA HB H 1.114 0.000 1 547 . 73 ALA CB C 19.291 0.000 1 548 . 74 GLY CA C 42.667 0.000 1 549 . 74 GLY HA2 H 3.972 0.008 1 550 . 74 GLY HA3 H 3.835 0.008 1 551 . 75 ASP CA C 55.092 0.000 1 552 . 75 ASP HA H 4.392 0.000 1 553 . 75 ASP CB C 39.043 0.000 1 554 . 75 ASP HB2 H 2.684 0.000 1 555 . 75 ASP HB3 H 2.583 0.000 1 556 . 76 MET CA C 56.049 0.000 1 557 . 76 MET HA H 4.221 0.000 1 558 . 76 MET CB C 29.646 0.000 1 559 . 76 MET HB2 H 2.070 0.000 1 560 . 76 MET HG2 H 2.433 0.000 1 561 . 76 MET HG3 H 2.304 0.000 1 562 . 76 MET HE H 2.135 0.005 1 563 . 76 MET CE C 15.228 0.000 1 564 . 77 SER CA C 57.956 0.000 1 565 . 77 SER HA H 4.181 0.006 1 566 . 77 SER CB C 60.709 0.000 1 567 . 77 SER HB2 H 3.607 0.000 1 568 . 77 SER HB3 H 3.479 0.002 1 569 . 78 LYS CA C 56.049 0.000 1 570 . 78 LYS HA H 4.100 0.001 1 571 . 78 LYS CB C 30.163 0.000 1 572 . 78 LYS HB2 H 1.827 0.000 1 573 . 78 LYS CG C 23.665 0.000 1 574 . 78 LYS HG2 H 1.545 0.003 1 575 . 78 LYS HG3 H 1.368 0.004 1 576 . 78 LYS CD C 26.539 0.000 1 577 . 78 LYS HD2 H 1.648 0.000 1 578 . 78 LYS CE C 39.482 0.000 1 579 . 78 LYS HE2 H 2.988 0.000 1 580 . 79 SER CA C 58.120 0.000 1 581 . 79 SER HA H 4.312 0.000 1 582 . 79 SER CB C 60.787 0.000 1 583 . 79 SER HB2 H 3.940 0.000 1 584 . 80 ALA CA C 50.872 0.000 1 585 . 80 ALA HA H 4.342 0.000 1 586 . 80 ALA HB H 1.463 0.008 1 587 . 80 ALA CB C 17.298 0.000 1 588 . 81 VAL CA C 60.709 0.000 1 589 . 81 VAL HA H 4.094 0.000 1 590 . 81 VAL CB C 29.461 0.000 1 591 . 81 VAL HB H 2.252 0.001 1 592 . 81 VAL HG1 H 1.070 0.004 1 593 . 81 VAL CG1 C 18.228 0.000 1 594 . 82 ASP CA C 51.908 0.000 1 595 . 82 ASP HA H 4.656 0.000 1 596 . 82 ASP CB C 38.965 0.000 1 597 . 82 ASP HB2 H 2.734 0.000 1 598 . 82 ASP HB3 H 2.734 0.000 1 599 . 83 GLY CA C 43.106 0.000 1 600 . 83 GLY HA2 H 4.084 0.003 1 601 . 84 THR CA C 59.228 0.000 1 602 . 84 THR HA H 4.354 0.000 1 603 . 84 THR CB C 66.999 0.000 1 604 . 84 THR HB H 4.282 0.000 1 605 . 84 THR HG2 H 1.203 0.000 1 606 . 84 THR CG2 C 19.651 0.000 1 607 . 85 ALA CA C 50.354 0.000 1 608 . 85 ALA HA H 4.351 0.000 1 609 . 85 ALA HB H 1.421 0.000 1 610 . 85 ALA CB C 17.298 0.000 1 611 . 86 GLU CA C 56.567 0.000 1 612 . 86 GLU HA H 4.131 0.000 1 613 . 86 GLU CB C 28.610 0.000 1 614 . 86 GLU HB2 H 2.057 0.000 1 615 . 86 GLU CG C 34.383 0.000 1 616 . 86 GLU HG2 H 2.294 0.000 1 617 . 86 GLU HG3 H 2.279 0.000 1 618 . 87 ASN CA C 49.397 0.000 1 619 . 87 ASN HA H 5.153 0.000 1 620 . 87 ASN CB C 37.489 0.000 1 621 . 87 ASN HB2 H 2.757 0.000 1 622 . 88 PRO CD C 48.284 0.000 1 623 . 88 PRO CA C 61.175 0.000 1 624 . 88 PRO HA H 4.467 0.002 1 625 . 88 PRO CB C 30.163 0.000 1 626 . 88 PRO HB2 H 2.300 0.001 1 627 . 88 PRO HB3 H 2.020 0.000 1 628 . 88 PRO CG C 24.986 0.000 1 629 . 88 PRO HG2 H 2.214 0.004 1 630 . 88 PRO HG3 H 1.924 0.002 1 631 . 88 PRO HD2 H 3.822 0.000 1 632 . 88 PRO HD3 H 3.708 0.004 1 633 . 89 PHE CA C 56.560 0.000 1 634 . 89 PHE HA H 3.954 0.000 1 635 . 89 PHE CB C 39.317 0.000 1 636 . 89 PHE HB2 H 2.801 0.000 1 637 . 89 PHE HB3 H 2.512 0.000 1 638 . 89 PHE HD1 H 6.575 0.000 1 639 . 89 PHE HE1 H 6.509 0.015 1 640 . 89 PHE CD1 C 127.677 0.000 1 641 . 89 PHE CE1 C 129.222 0.000 1 642 . 89 PHE CZ C 126.891 0.000 1 643 . 89 PHE HZ H 6.791 0.000 1 644 . 90 LEU CA C 51.478 0.000 1 645 . 90 LEU HA H 4.443 0.000 1 646 . 90 LEU CB C 41.631 0.000 1 647 . 90 LEU HB2 H 1.651 0.004 1 648 . 90 LEU HB3 H 0.942 0.006 1 649 . 90 LEU CG C 23.433 0.000 1 650 . 90 LEU HG H 1.456 0.001 1 651 . 90 LEU HD1 H 0.732 0.002 1 652 . 90 LEU HD2 H 0.720 0.000 1 653 . 90 LEU CD1 C 24.462 0.003 1 654 . 90 LEU CD2 C 20.845 0.000 1 655 . 91 ASP CA C 49.397 0.000 1 656 . 91 ASP HA H 4.398 0.001 1 657 . 91 ASP CB C 37.231 0.000 1 658 . 91 ASP HB2 H 2.978 0.002 1 659 . 91 ASP HB3 H 2.364 0.002 1 660 . 92 ASN CA C 48.878 0.000 1 661 . 92 ASN HA H 5.151 0.000 1 662 . 92 ASN CB C 40.338 0.000 1 663 . 92 ASN HB2 H 2.558 0.002 1 664 . 93 PRO CD C 49.319 0.000 1 665 . 93 PRO CA C 61.700 0.000 1 666 . 93 PRO HA H 4.760 0.000 1 667 . 93 PRO CB C 29.948 0.000 1 668 . 93 PRO HB2 H 2.297 0.000 1 669 . 93 PRO HB3 H 2.087 0.000 1 670 . 93 PRO CG C 24.986 0.000 1 671 . 93 PRO HG2 H 1.939 0.000 1 672 . 93 PRO HD2 H 3.728 0.003 1 673 . 94 ASP CA C 51.468 0.000 1 674 . 94 ASP HA H 4.692 0.000 1 675 . 94 ASP CB C 39.560 0.000 1 676 . 94 ASP HB2 H 2.679 0.013 1 677 . 94 ASP HB3 H 2.419 0.000 1 678 . 95 ALA CA C 48.358 0.000 1 679 . 95 ALA HA H 4.341 0.000 1 680 . 95 ALA HB H 1.326 0.001 1 681 . 95 ALA CB C 20.023 0.000 1 682 . 96 PHE CA C 52.425 0.000 1 683 . 96 PHE HA H 5.214 0.000 1 684 . 96 PHE CB C 38.525 0.000 1 685 . 96 PHE HB2 H 2.829 0.000 1 686 . 96 PHE HB3 H 2.517 0.000 1 687 . 96 PHE HD1 H 6.530 0.000 1 688 . 96 PHE HE1 H 7.113 0.000 1 689 . 96 PHE CD1 C 128.972 0.000 1 690 . 96 PHE CE1 C 126.641 0.000 1 691 . 96 PHE CZ C 127.930 0.000 1 692 . 96 PHE HZ H 7.153 0.003 1 693 . 97 TYR CA C 55.050 0.000 1 694 . 97 TYR HA H 5.213 0.000 1 695 . 97 TYR CB C 42.624 0.000 1 696 . 97 TYR HB2 H 2.850 0.001 1 697 . 97 TYR HB3 H 2.307 0.000 1 698 . 97 TYR HD1 H 6.624 0.000 1 699 . 97 TYR HE1 H 6.399 0.004 1 700 . 97 TYR CD1 C 129.893 0.000 1 701 . 97 TYR CE1 C 117.541 0.000 1 702 . 98 TYR CA C 53.461 0.000 1 703 . 98 TYR HA H 4.460 0.000 1 704 . 98 TYR CB C 38.447 0.000 1 705 . 98 TYR HB2 H 3.225 0.001 1 706 . 98 TYR HB3 H 3.033 0.002 1 707 . 98 TYR HD1 H 6.916 0.003 1 708 . 98 TYR HE1 H 6.674 0.001 1 709 . 98 TYR CD1 C 132.964 0.000 1 710 . 98 TYR CE1 C 117.311 0.000 1 711 . 99 PHE CA C 51.908 0.000 1 712 . 99 PHE HA H 5.674 0.000 1 713 . 99 PHE CB C 36.972 0.000 1 714 . 99 PHE HB2 H 3.602 0.000 1 715 . 99 PHE HB3 H 3.175 0.010 1 716 . 99 PHE HD1 H 7.882 0.001 1 717 . 99 PHE HE1 H 7.109 0.002 1 718 . 99 PHE CD1 C 130.130 0.000 1 719 . 99 PHE CE1 C 128.580 0.000 1 720 . 99 PHE CZ C 126.896 0.000 1 721 . 99 PHE HZ H 6.598 0.007 1 722 . 100 PRO CD C 48.801 0.000 1 723 . 100 PRO CA C 61.226 0.000 1 724 . 100 PRO HA H 4.557 0.001 1 725 . 100 PRO CB C 29.724 0.000 1 726 . 100 PRO HB2 H 2.215 0.000 1 727 . 100 PRO HB3 H 2.062 0.000 1 728 . 100 PRO CG C 24.986 0.000 1 729 . 100 PRO HG2 H 2.087 0.000 1 730 . 100 PRO HG3 H 1.919 0.000 1 731 . 100 PRO HD2 H 4.241 0.001 1 732 . 100 PRO HD3 H 3.641 0.007 1 733 . 101 ASP CA C 51.390 0.000 1 734 . 101 ASP HA H 4.695 0.002 1 735 . 101 ASP CB C 39.041 0.000 1 736 . 101 ASP HB2 H 2.666 0.000 1 737 . 102 SER CA C 56.049 0.000 1 738 . 102 SER HA H 4.524 0.002 1 739 . 102 SER CB C 62.262 0.000 1 740 . 102 SER HB2 H 4.006 0.003 1 741 . 102 SER HB3 H 3.951 0.002 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'DEP monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET N N 118.431 0.000 1 2 . 1 MET H H 8.604 0.008 1 3 . 1 MET HA H 4.448 0.000 1 4 . 1 MET HB2 H 2.611 0.000 1 5 . 1 MET HG2 H 2.082 0.000 1 6 . 2 GLU N N 120.414 0.000 1 7 . 2 GLU H H 8.486 0.000 1 8 . 2 GLU HA H 4.396 0.000 1 9 . 2 GLU HB2 H 2.090 0.000 1 10 . 2 GLU HG2 H 2.334 0.000 1 11 . 3 THR N N 112.816 0.000 1 12 . 3 THR H H 8.034 0.009 1 13 . 3 THR HA H 4.395 0.000 1 14 . 3 THR HB H 4.379 0.000 1 15 . 3 THR HG2 H 1.219 0.000 1 16 . 4 ILE N N 123.497 0.000 1 17 . 4 ILE H H 7.919 0.009 1 18 . 4 ILE HA H 4.090 0.000 1 19 . 4 ILE HB H 1.844 0.000 1 20 . 4 ILE HG12 H 1.543 0.000 1 21 . 4 ILE HG13 H 1.161 0.000 1 22 . 4 ILE HD1 H 0.853 0.000 1 23 . 5 ASP N N 126.109 0.000 1 24 . 5 ASP H H 8.383 0.008 1 25 . 5 ASP HA H 4.760 0.000 1 26 . 5 ASP HB2 H 2.941 0.000 1 27 . 5 ASP HB3 H 2.584 0.000 1 28 . 6 LEU N N 127.094 0.000 1 29 . 6 LEU H H 8.744 0.000 1 30 . 6 LEU HA H 3.844 0.000 1 31 . 6 LEU HB2 H 1.828 0.000 1 32 . 6 LEU HB3 H 1.272 0.000 1 33 . 6 LEU HG H 1.844 0.000 1 34 . 6 LEU HD1 H 0.814 0.000 1 35 . 6 LEU HD2 H 0.961 0.008 1 36 . 7 GLY N N 105.905 0.000 1 37 . 7 GLY H H 8.281 0.010 1 38 . 7 GLY HA2 H 3.921 0.000 1 39 . 7 GLY HA3 H 3.542 0.002 1 40 . 8 ALA N N 124.591 0.000 1 41 . 8 ALA H H 7.741 0.000 1 42 . 8 ALA HA H 4.136 0.000 1 43 . 8 ALA HB H 1.447 0.000 1 44 . 9 LEU N N 121.405 0.000 1 45 . 9 LEU H H 7.899 0.009 1 46 . 9 LEU HA H 4.151 0.013 1 47 . 9 LEU HB2 H 1.792 0.000 1 48 . 9 LEU HB3 H 1.711 0.005 1 49 . 9 LEU HD1 H 0.918 0.004 1 50 . 9 LEU HD2 H 0.765 0.000 1 51 . 10 TYR N N 120.153 0.000 1 52 . 10 TYR H H 8.361 0.008 1 53 . 10 TYR HA H 3.989 0.000 1 54 . 10 TYR HB2 H 2.809 0.000 1 55 . 10 TYR HB3 H 2.462 0.000 1 56 . 10 TYR HD1 H 6.919 0.003 1 57 . 11 LEU N N 116.336 0.010 1 58 . 11 LEU H H 7.446 0.005 1 59 . 11 LEU HA H 3.455 0.000 1 60 . 11 LEU HB2 H 1.813 0.000 1 61 . 11 LEU HB3 H 1.408 0.000 1 62 . 11 LEU HG H 0.790 0.000 1 63 . 11 LEU HD1 H 0.904 0.000 1 64 . 12 SER N N 115.715 0.000 1 65 . 12 SER H H 7.838 0.000 1 66 . 12 SER HA H 4.301 0.000 1 67 . 12 SER HB2 H 4.247 0.000 1 68 . 12 SER HB3 H 4.159 0.000 1 69 . 13 MET N N 121.299 0.000 1 70 . 13 MET H H 8.041 0.000 1 71 . 13 MET HA H 2.918 0.000 1 72 . 13 MET HB2 H 1.780 0.000 1 73 . 13 MET HB3 H 1.530 0.000 1 74 . 13 MET HG2 H 2.045 0.000 1 75 . 13 MET HG3 H 1.083 0.000 1 76 . 14 LYS N N 115.482 0.000 1 77 . 14 LYS H H 7.145 0.002 1 78 . 14 LYS HA H 3.882 0.000 1 79 . 14 LYS HB2 H 1.149 0.000 1 80 . 14 LYS HG2 H 0.521 0.000 1 81 . 14 LYS HG3 H 0.468 0.000 1 82 . 14 LYS HD2 H 0.829 0.000 1 83 . 14 LYS HE2 H 2.593 0.000 1 84 . 15 ASP N N 121.672 0.000 1 85 . 15 ASP H H 6.872 0.010 1 86 . 15 ASP HA H 4.361 0.000 1 87 . 15 ASP HB2 H 2.753 0.000 1 88 . 15 ASP HB3 H 2.624 0.003 1 89 . 16 THR N N 119.800 0.000 1 90 . 16 THR H H 8.501 0.000 1 91 . 16 THR HA H 3.990 0.000 1 92 . 16 THR HB H 4.283 0.000 1 93 . 16 THR HG2 H 1.365 0.000 1 94 . 17 GLU N N 119.524 0.000 1 95 . 17 GLU H H 8.231 0.000 1 96 . 17 GLU HA H 4.510 0.000 1 97 . 17 GLU HB2 H 2.093 0.000 1 98 . 17 GLU HG2 H 2.284 0.000 1 99 . 17 GLU HG3 H 2.205 0.000 1 100 . 18 LYS N N 117.476 0.000 1 101 . 18 LYS H H 8.986 0.000 1 102 . 18 LYS HA H 4.690 0.000 1 103 . 18 LYS HB2 H 2.146 0.000 1 104 . 18 LYS HB3 H 1.869 0.000 1 105 . 18 LYS HG2 H 1.473 0.000 1 106 . 19 GLY N N 109.526 0.000 1 107 . 19 GLY H H 7.633 0.000 1 108 . 19 GLY HA2 H 4.315 0.002 1 109 . 19 GLY HA3 H 4.017 0.000 1 110 . 20 ILE N N 119.753 0.000 1 111 . 20 ILE H H 7.964 0.000 1 112 . 20 ILE HA H 3.648 0.001 1 113 . 20 ILE HB H 0.949 0.000 1 114 . 20 ILE HG2 H 0.028 0.000 1 115 . 20 ILE HG12 H 0.724 0.000 1 116 . 20 ILE HG13 H 0.476 0.000 1 117 . 20 ILE HD1 H 0.226 0.000 1 118 . 21 LYS N N 126.800 0.000 1 119 . 21 LYS H H 8.153 0.008 1 120 . 21 LYS HA H 4.393 0.000 1 121 . 21 LYS HB2 H 1.846 0.000 1 122 . 21 LYS HG2 H 1.862 0.000 1 123 . 21 LYS HD2 H 1.528 0.000 1 124 . 22 GLU N N 122.726 0.000 1 125 . 22 GLU H H 8.520 0.016 1 126 . 22 GLU HA H 4.476 0.000 1 127 . 22 GLU HB2 H 2.143 0.000 1 128 . 22 GLU HG2 H 2.537 0.000 1 129 . 22 GLU HG3 H 2.374 0.000 1 130 . 23 LEU N N 123.800 0.000 1 131 . 23 LEU H H 9.284 0.000 1 132 . 23 LEU HA H 4.623 0.000 1 133 . 23 LEU HB2 H 1.771 0.000 1 134 . 23 LEU HB3 H 1.516 0.000 1 135 . 23 LEU HG H 1.035 0.000 1 136 . 23 LEU HD1 H 1.013 0.000 1 137 . 24 ASN N N 119.092 0.000 1 138 . 24 ASN H H 8.462 0.000 1 139 . 24 ASN HA H 5.251 0.000 1 140 . 24 ASN HB2 H 2.766 0.000 1 141 . 24 ASN ND2 N 112.595 0.000 1 142 . 24 ASN HD21 H 7.572 0.000 1 143 . 24 ASN HD22 H 6.891 0.000 1 144 . 25 LEU N N 124.500 0.000 1 145 . 25 LEU H H 8.204 0.000 1 146 . 25 LEU HA H 4.483 0.000 1 147 . 25 LEU HB2 H 1.346 0.000 1 148 . 25 LEU HG H 0.769 0.000 1 149 . 25 LEU HD1 H 0.474 0.000 1 150 . 25 LEU HD2 H 0.779 0.000 1 151 . 26 GLU N N 121.100 0.000 1 152 . 26 GLU H H 8.451 0.000 1 153 . 26 GLU HA H 4.902 0.000 1 154 . 26 GLU HB2 H 2.048 0.000 1 155 . 26 GLU HB3 H 1.889 0.000 1 156 . 27 LYS N N 123.000 0.000 1 157 . 27 LYS H H 8.680 0.001 1 158 . 27 LYS HA H 4.390 0.000 1 159 . 27 LYS HB2 H 1.847 0.000 1 160 . 27 LYS HG2 H 1.361 0.000 1 161 . 27 LYS HD2 H 1.616 0.000 1 162 . 28 ASP N N 124.157 0.000 1 163 . 28 ASP H H 9.050 0.000 1 164 . 28 ASP HA H 4.422 0.013 1 165 . 28 ASP HB2 H 2.895 0.000 1 166 . 29 LYS N N 113.697 0.000 1 167 . 29 LYS H H 8.459 0.000 1 168 . 29 LYS HA H 4.043 0.000 1 169 . 29 LYS HB2 H 1.986 0.000 1 170 . 29 LYS HG2 H 1.405 0.000 1 171 . 30 LYS N N 121.074 0.000 1 172 . 30 LYS H H 8.038 0.000 1 173 . 30 LYS HA H 4.257 0.000 1 174 . 30 LYS HB2 H 1.776 0.000 1 175 . 30 LYS HB3 H 1.194 0.000 1 176 . 30 LYS HG2 H 1.366 0.000 1 177 . 30 LYS HD2 H 1.628 0.000 1 178 . 31 ILE N N 120.303 0.000 1 179 . 31 ILE H H 7.815 0.006 1 180 . 31 ILE HA H 4.274 0.000 1 181 . 31 ILE HB H 1.559 0.000 1 182 . 31 ILE HG2 H 0.564 0.000 1 183 . 31 ILE HG12 H 1.220 0.000 1 184 . 31 ILE HG13 H 0.978 0.000 1 185 . 31 ILE HD1 H 0.672 0.000 1 186 . 32 PHE N N 121.074 0.000 1 187 . 32 PHE H H 8.037 0.000 1 188 . 32 PHE HA H 4.475 0.000 1 189 . 32 PHE HB2 H 3.020 0.000 1 190 . 32 PHE HD1 H 6.951 0.011 1 191 . 32 PHE HZ H 7.162 0.000 1 192 . 33 ASN N N 119.983 0.009 1 193 . 33 ASN H H 8.182 0.000 1 194 . 33 ASN HA H 4.770 0.000 1 195 . 33 ASN HB2 H 2.521 0.000 1 196 . 33 ASN HB3 H 2.377 0.014 1 197 . 33 ASN ND2 N 110.944 0.000 1 198 . 33 ASN HD21 H 6.685 0.010 1 199 . 33 ASN HD22 H 7.358 0.010 1 200 . 34 HIS N N 117.550 0.000 1 201 . 34 HIS H H 8.552 0.008 1 202 . 34 HIS HA H 4.361 0.000 1 203 . 34 HIS HB2 H 3.438 0.000 1 204 . 35 CYS N N 115.569 0.000 1 205 . 35 CYS H H 8.590 0.008 1 206 . 35 CYS HA H 5.185 0.000 1 207 . 35 CYS HB2 H 2.697 0.000 1 208 . 36 PHE N N 115.478 0.007 1 209 . 36 PHE H H 8.394 0.008 1 210 . 36 PHE HA H 5.150 0.000 1 211 . 36 PHE HB2 H 3.536 0.000 1 212 . 36 PHE HB3 H 3.040 0.000 1 213 . 36 PHE HD1 H 6.714 0.000 1 214 . 36 PHE HE1 H 6.752 0.000 1 215 . 37 THR N N 110.173 0.000 1 216 . 37 THR H H 8.957 0.007 1 217 . 37 THR HA H 5.548 0.000 1 218 . 37 THR HB H 4.798 0.000 1 219 . 37 THR HG2 H 1.165 0.000 1 220 . 38 GLY N N 107.970 0.000 1 221 . 38 GLY H H 9.483 0.008 1 222 . 38 GLY HA2 H 4.859 0.008 1 223 . 38 GLY HA3 H 4.120 0.000 1 224 . 39 ASN N N 115.715 0.000 1 225 . 39 ASN H H 8.225 0.000 1 226 . 39 ASN HA H 4.827 0.000 1 227 . 39 ASN HB2 H 2.676 0.000 1 228 . 39 ASN HB3 H 2.527 0.000 1 229 . 39 ASN ND2 N 116.066 0.000 1 230 . 39 ASN HD21 H 8.103 0.000 1 231 . 39 ASN HD22 H 7.242 0.010 1 232 . 40 CYS N N 119.700 0.000 1 233 . 40 CYS H H 7.619 0.005 1 234 . 40 CYS HA H 4.364 0.000 1 235 . 40 CYS HB2 H 3.302 0.000 1 236 . 40 CYS HB3 H 3.279 0.000 1 237 . 41 VAL N N 121.244 0.000 1 238 . 41 VAL H H 7.825 0.000 1 239 . 41 VAL HA H 3.571 0.000 1 240 . 41 VAL HB H 2.521 0.000 1 241 . 41 VAL HG1 H 0.591 0.000 1 242 . 41 VAL HG2 H 1.191 0.000 1 243 . 42 ILE N N 117.584 0.000 1 244 . 42 ILE H H 7.386 0.000 1 245 . 42 ILE HA H 3.617 0.000 1 246 . 42 ILE HB H 2.175 0.000 1 247 . 42 ILE HG2 H 0.935 0.000 1 248 . 42 ILE HG12 H 1.418 0.000 1 249 . 42 ILE HG13 H 0.777 0.000 1 250 . 42 ILE HD1 H 0.650 0.002 1 251 . 43 ASP N N 119.263 0.000 1 252 . 43 ASP H H 8.819 0.000 1 253 . 43 ASP HA H 4.259 0.000 1 254 . 43 ASP HB2 H 2.960 0.000 1 255 . 43 ASP HB3 H 2.788 0.000 1 256 . 44 TRP N N 121.438 0.000 1 257 . 44 TRP H H 8.120 0.000 1 258 . 44 TRP HA H 4.014 0.023 1 259 . 44 TRP HB2 H 3.594 0.000 1 260 . 44 TRP HB3 H 3.351 0.000 1 261 . 44 TRP NE1 N 129.773 0.000 1 262 . 44 TRP HD1 H 7.177 0.021 1 263 . 44 TRP HE3 H 7.195 0.000 1 264 . 44 TRP HE1 H 10.539 0.000 1 265 . 44 TRP HZ3 H 6.875 0.000 1 266 . 44 TRP HZ2 H 7.136 0.000 1 267 . 44 TRP HH2 H 6.948 0.000 1 268 . 45 LEU N N 119.336 0.000 1 269 . 45 LEU H H 8.236 0.000 1 270 . 45 LEU HA H 3.997 0.000 1 271 . 45 LEU HB2 H 2.212 0.000 1 272 . 45 LEU HG H 1.149 0.000 1 273 . 45 LEU HD1 H 1.363 0.000 1 274 . 45 LEU HD2 H 0.819 0.000 1 275 . 46 VAL N N 117.277 0.000 1 276 . 46 VAL H H 8.330 0.000 1 277 . 46 VAL HA H 3.641 0.000 1 278 . 46 VAL HB H 2.094 0.000 1 279 . 46 VAL HG1 H 0.815 0.000 1 280 . 47 SER N N 117.000 0.000 1 281 . 47 SER H H 8.493 0.002 1 282 . 47 SER HA H 4.093 0.075 1 283 . 47 SER HB2 H 3.846 0.000 1 284 . 48 ASN N N 116.182 0.000 1 285 . 48 ASN H H 7.637 0.000 1 286 . 48 ASN HA H 4.452 0.007 1 287 . 48 ASN HB2 H 2.068 0.000 1 288 . 48 ASN HB3 H 1.797 0.000 1 289 . 48 ASN ND2 N 111.631 0.000 1 290 . 48 ASN HD21 H 6.281 0.010 1 291 . 48 ASN HD22 H 5.539 0.000 1 292 . 49 GLN N N 112.300 0.000 1 293 . 49 GLN H H 7.837 0.002 1 294 . 49 GLN HA H 4.025 0.007 1 295 . 49 GLN HB2 H 2.238 0.000 1 296 . 49 GLN HG2 H 2.238 0.000 1 297 . 49 GLN NE2 N 111.998 0.000 1 298 . 49 GLN HE21 H 7.373 0.010 1 299 . 49 GLN HE22 H 6.775 0.000 1 300 . 50 SER N N 115.122 0.000 1 301 . 50 SER H H 8.349 0.009 1 302 . 50 SER HA H 4.241 0.005 1 303 . 50 SER HB2 H 3.835 0.011 1 304 . 51 VAL N N 108.400 0.000 1 305 . 51 VAL H H 7.140 0.007 1 306 . 51 VAL HA H 4.513 0.000 1 307 . 51 VAL HB H 2.336 0.000 1 308 . 51 VAL HG1 H 0.753 0.000 1 309 . 51 VAL HG2 H 0.523 0.000 1 310 . 52 ARG N N 118.321 0.000 1 311 . 52 ARG H H 8.946 0.008 1 312 . 52 ARG HA H 4.223 0.000 1 313 . 52 ARG HB2 H 2.075 0.000 1 314 . 52 ARG HB3 H 1.818 0.000 1 315 . 52 ARG HG2 H 1.787 0.000 1 316 . 52 ARG HD2 H 3.249 0.000 1 317 . 53 ASN N N 109.402 0.000 1 318 . 53 ASN H H 7.301 0.000 1 319 . 53 ASN HA H 4.741 0.000 1 320 . 53 ASN HB2 H 3.217 0.000 1 321 . 53 ASN ND2 N 114.322 0.000 1 322 . 53 ASN HD21 H 7.667 0.000 1 323 . 53 ASN HD22 H 7.007 0.000 1 324 . 54 ARG N N 116.449 0.000 1 325 . 54 ARG H H 8.687 0.000 1 326 . 54 ARG HA H 3.651 0.003 1 327 . 54 ARG HB2 H 2.039 0.000 1 328 . 54 ARG HB3 H 1.833 0.002 1 329 . 54 ARG HG2 H 2.011 0.000 1 330 . 54 ARG HG3 H 1.235 0.007 1 331 . 54 ARG HD2 H 3.444 0.005 1 332 . 54 ARG HD3 H 3.035 0.000 1 333 . 54 ARG NE N 112.265 0.000 1 334 . 54 ARG HE H 9.610 0.000 1 335 . 55 GLN N N 121.088 0.000 1 336 . 55 GLN H H 8.316 0.010 1 337 . 55 GLN HA H 4.104 0.000 1 338 . 55 GLN HB2 H 2.157 0.000 1 339 . 55 GLN HG2 H 2.463 0.000 1 340 . 55 GLN NE2 N 111.935 0.000 1 341 . 55 GLN HE21 H 7.577 0.000 1 342 . 55 GLN HE22 H 6.874 0.000 1 343 . 56 GLU N N 120.900 0.000 1 344 . 56 GLU H H 8.557 0.011 1 345 . 56 GLU HA H 4.096 0.000 1 346 . 56 GLU HB2 H 2.074 0.000 1 347 . 56 GLU HG2 H 2.594 0.000 1 348 . 56 GLU HG3 H 2.335 0.000 1 349 . 57 GLY N N 104.841 0.000 1 350 . 57 GLY H H 8.136 0.000 1 351 . 57 GLY HA2 H 3.684 0.000 1 352 . 57 GLY HA3 H 3.453 0.000 1 353 . 58 LEU N N 123.654 0.000 1 354 . 58 LEU H H 8.471 0.000 1 355 . 58 LEU HA H 3.802 0.000 1 356 . 58 LEU HB2 H 1.915 0.000 1 357 . 58 LEU HG H 1.719 0.000 1 358 . 58 LEU HD1 H 1.087 0.005 1 359 . 59 MET N N 120.083 0.000 1 360 . 59 MET H H 7.652 0.000 1 361 . 59 MET HA H 4.179 0.000 1 362 . 59 MET HB2 H 2.802 0.000 1 363 . 59 MET HB3 H 2.675 0.000 1 364 . 59 MET HG2 H 2.632 0.000 1 365 . 59 MET HG3 H 2.326 0.000 1 366 . 59 MET HE H 1.901 0.001 1 367 . 60 ILE N N 120.971 0.000 1 368 . 60 ILE H H 7.935 0.001 1 369 . 60 ILE HA H 3.820 0.000 1 370 . 60 ILE HB H 1.927 0.000 1 371 . 60 ILE HG2 H 0.753 0.000 1 372 . 60 ILE HG12 H 1.433 0.000 1 373 . 61 ALA N N 123.307 0.000 1 374 . 61 ALA H H 8.751 0.009 1 375 . 61 ALA HA H 3.456 0.000 1 376 . 61 ALA HB H -0.044 0.000 1 377 . 62 SER N N 112.375 0.000 1 378 . 62 SER H H 8.156 0.000 1 379 . 62 SER HA H 4.208 0.000 1 380 . 62 SER HB2 H 4.059 0.000 1 381 . 63 SER N N 119.794 0.000 1 382 . 63 SER H H 7.852 0.000 1 383 . 63 SER HA H 4.172 0.005 1 384 . 63 SER HB2 H 4.478 0.000 1 385 . 63 SER HB3 H 4.130 0.000 1 386 . 64 LEU N N 121.321 0.000 1 387 . 64 LEU H H 8.386 0.000 1 388 . 64 LEU HA H 4.132 0.010 1 389 . 64 LEU HB2 H 2.237 0.000 1 390 . 64 LEU HB3 H 1.820 0.000 1 391 . 64 LEU HG H 1.268 0.000 1 392 . 64 LEU HD1 H 0.759 0.000 1 393 . 64 LEU HD2 H 0.929 0.000 1 394 . 65 LEU N N 120.303 0.000 1 395 . 65 LEU H H 8.169 0.000 1 396 . 65 LEU HA H 4.548 0.000 1 397 . 65 LEU HB2 H 2.238 0.000 1 398 . 65 LEU HB3 H 1.817 0.000 1 399 . 65 LEU HG H 1.706 0.000 1 400 . 65 LEU HD1 H 1.089 0.000 1 401 . 66 ASN N N 119.643 0.000 1 402 . 66 ASN H H 8.894 0.000 1 403 . 66 ASN HA H 4.512 0.003 1 404 . 66 ASN HB2 H 3.076 0.000 1 405 . 66 ASN HB3 H 2.969 0.000 1 406 . 66 ASN ND2 N 110.944 0.000 1 407 . 66 ASN HD21 H 6.911 0.001 1 408 . 66 ASN HD22 H 7.619 0.000 1 409 . 67 GLU N N 115.348 0.000 1 410 . 67 GLU H H 8.078 0.000 1 411 . 67 GLU HA H 4.376 0.000 1 412 . 67 GLU HB2 H 2.268 0.000 1 413 . 67 GLU HB3 H 1.923 0.000 1 414 . 67 GLU HG2 H 2.445 0.000 1 415 . 68 GLY N N 106.139 0.000 1 416 . 68 GLY H H 7.796 0.009 1 417 . 68 GLY HA2 H 4.067 0.003 1 418 . 68 GLY HA3 H 3.772 0.000 1 419 . 69 TYR N N 118.211 0.000 1 420 . 69 TYR H H 8.068 0.000 1 421 . 69 TYR HA H 3.994 0.000 1 422 . 69 TYR HB2 H 2.900 0.000 1 423 . 69 TYR HB3 H 2.619 0.000 1 424 . 69 TYR HD1 H 6.336 0.000 1 425 . 69 TYR HE1 H 6.623 0.000 1 426 . 70 LEU N N 110.834 0.000 1 427 . 70 LEU H H 7.027 0.000 1 428 . 70 LEU HA H 5.083 0.000 1 429 . 70 LEU HB2 H 1.394 0.000 1 430 . 70 LEU HG H 1.639 0.000 1 431 . 70 LEU HD1 H 0.763 0.000 1 432 . 70 LEU HD2 H 1.057 0.000 1 433 . 71 GLN N N 117.900 0.000 1 434 . 71 GLN H H 8.690 0.001 1 435 . 71 GLN HA H 4.872 0.000 1 436 . 71 GLN HB2 H 1.084 0.000 1 437 . 71 GLN HG2 H 1.833 0.000 1 438 . 71 GLN HG3 H 0.741 0.000 1 439 . 71 GLN NE2 N 112.595 0.000 1 440 . 71 GLN HE21 H 7.138 0.009 1 441 . 71 GLN HE22 H 7.563 0.000 1 442 . 72 PRO HA H 4.605 0.000 1 443 . 72 PRO HB2 H 1.997 0.000 1 444 . 72 PRO HG2 H 1.815 0.000 1 445 . 72 PRO HG3 H 2.118 0.000 1 446 . 73 ALA N N 124.800 0.000 1 447 . 73 ALA H H 8.097 0.007 1 448 . 73 ALA HA H 4.600 0.000 1 449 . 73 ALA HB H 1.157 0.000 1 450 . 74 GLY N N 107.420 0.000 1 451 . 74 GLY H H 8.269 0.000 1 452 . 74 GLY HA2 H 4.000 0.000 1 453 . 74 GLY HA3 H 3.888 0.000 1 454 . 75 ASP N N 117.110 0.000 1 455 . 75 ASP H H 8.218 0.001 1 456 . 75 ASP HA H 4.372 0.000 1 457 . 75 ASP HB2 H 2.681 0.000 1 458 . 75 ASP HB3 H 2.576 0.006 1 459 . 76 MET N N 120.744 0.000 1 460 . 76 MET H H 8.436 0.000 1 461 . 76 MET HA H 4.186 0.000 1 462 . 76 MET HB2 H 2.058 0.000 1 463 . 76 MET HB3 H 1.981 0.000 1 464 . 76 MET HG2 H 2.371 0.000 1 465 . 76 MET HG3 H 1.936 0.000 1 466 . 76 MET HE H 1.959 0.000 1 467 . 77 SER N N 115.789 0.000 1 468 . 77 SER H H 8.911 0.001 1 469 . 77 SER HA H 4.168 0.001 1 470 . 77 SER HB2 H 3.598 0.000 1 471 . 77 SER HB3 H 3.444 0.000 1 472 . 78 LYS N N 121.735 0.000 1 473 . 78 LYS H H 7.940 0.010 1 474 . 78 LYS HA H 4.064 0.000 1 475 . 78 LYS HB2 H 1.844 0.000 1 476 . 78 LYS HG2 H 1.355 0.000 1 477 . 78 LYS HG3 H 1.108 0.000 1 478 . 78 LYS HD2 H 1.570 0.000 1 479 . 79 SER N N 114.908 0.000 1 480 . 79 SER H H 8.186 0.001 1 481 . 79 SER HA H 4.332 0.000 1 482 . 79 SER HB2 H 3.979 0.000 1 483 . 80 ALA N N 123.277 0.000 1 484 . 80 ALA H H 7.495 0.010 1 485 . 80 ALA HA H 4.363 0.000 1 486 . 80 ALA HB H 1.497 0.000 1 487 . 81 VAL N N 116.340 0.000 1 488 . 81 VAL H H 7.455 0.010 1 489 . 81 VAL HA H 4.095 0.012 1 490 . 81 VAL HB H 2.298 0.005 1 491 . 81 VAL HG1 H 1.084 0.002 1 492 . 82 ASP N N 120.971 0.000 1 493 . 82 ASP H H 7.950 0.010 1 494 . 82 ASP HA H 4.767 0.000 1 495 . 82 ASP HB2 H 2.763 0.000 1 496 . 83 GLY N N 108.500 0.000 1 497 . 83 GLY H H 8.129 0.000 1 498 . 83 GLY HA2 H 4.093 0.000 1 499 . 84 THR N N 112.400 0.000 1 500 . 84 THR H H 8.194 0.010 1 501 . 84 THR HA H 4.381 0.000 1 502 . 84 THR HG2 H 1.233 0.000 1 503 . 85 ALA N N 125.603 0.000 1 504 . 85 ALA H H 8.311 0.000 1 505 . 85 ALA HA H 4.378 0.000 1 506 . 85 ALA HB H 1.437 0.000 1 507 . 86 GLU N N 120.080 0.000 1 508 . 86 GLU H H 8.488 0.010 1 509 . 86 GLU HA H 4.179 0.000 1 510 . 86 GLU HB2 H 2.016 0.000 1 511 . 86 GLU HG2 H 2.300 0.000 1 512 . 87 ASN N N 116.670 0.000 1 513 . 87 ASN H H 8.252 0.007 1 514 . 87 ASN HA H 5.174 0.000 1 515 . 87 ASN HB2 H 2.769 0.000 1 516 . 87 ASN ND2 N 113.239 0.000 1 517 . 87 ASN HD21 H 7.706 0.011 1 518 . 87 ASN HD22 H 6.845 0.011 1 519 . 88 PRO HA H 4.468 0.000 1 520 . 88 PRO HB2 H 2.278 0.000 1 521 . 88 PRO HB3 H 1.982 0.000 1 522 . 89 PHE N N 120.400 0.000 1 523 . 89 PHE H H 7.677 0.000 1 524 . 89 PHE HA H 3.945 0.000 1 525 . 89 PHE HB2 H 2.795 0.000 1 526 . 89 PHE HB3 H 2.508 0.000 1 527 . 89 PHE HD1 H 6.577 0.000 1 528 . 90 LEU N N 125.148 0.000 1 529 . 90 LEU H H 6.923 0.000 1 530 . 90 LEU HA H 4.457 0.000 1 531 . 90 LEU HB2 H 1.670 0.000 1 532 . 90 LEU HB3 H 0.957 0.002 1 533 . 90 LEU HG H 1.458 0.000 1 534 . 90 LEU HD1 H 0.744 0.000 1 535 . 91 ASP N N 122.499 0.000 1 536 . 91 ASP H H 8.509 0.008 1 537 . 91 ASP HA H 4.412 0.000 1 538 . 91 ASP HB2 H 3.014 0.000 1 539 . 91 ASP HB3 H 2.373 0.000 1 540 . 92 ASN N N 119.753 0.000 1 541 . 92 ASN H H 7.254 0.007 1 542 . 92 ASN HA H 5.161 0.000 1 543 . 92 ASN HB2 H 2.540 0.000 1 544 . 92 ASN ND2 N 113.613 0.000 1 545 . 92 ASN HD21 H 7.764 0.011 1 546 . 92 ASN HD22 H 7.014 0.011 1 547 . 93 PRO HB2 H 1.936 0.000 1 548 . 93 PRO HB3 H 2.072 0.000 1 549 . 93 PRO HD2 H 3.749 0.000 1 550 . 94 ASP N N 116.119 0.000 1 551 . 94 ASP H H 8.551 0.009 1 552 . 94 ASP HA H 4.724 0.000 1 553 . 94 ASP HB2 H 2.675 0.000 1 554 . 94 ASP HB3 H 2.421 0.000 1 555 . 95 ALA N N 122.946 0.000 1 556 . 95 ALA H H 7.142 0.010 1 557 . 95 ALA HA H 4.357 0.000 1 558 . 95 ALA HB H 1.352 0.000 1 559 . 96 PHE N N 120.964 0.000 1 560 . 96 PHE H H 7.912 0.001 1 561 . 96 PHE HA H 5.215 0.007 1 562 . 96 PHE HB2 H 2.881 0.000 1 563 . 96 PHE HB3 H 2.526 0.000 1 564 . 96 PHE HD1 H 6.520 0.000 1 565 . 97 TYR N N 119.982 0.000 1 566 . 97 TYR H H 9.258 0.009 1 567 . 97 TYR HA H 5.213 0.000 1 568 . 97 TYR HB2 H 2.881 0.000 1 569 . 97 TYR HB3 H 2.336 0.000 1 570 . 97 TYR HD1 H 6.637 0.009 1 571 . 97 TYR HE1 H 6.399 0.003 1 572 . 97 TYR HH H 9.743 0.000 1 573 . 98 TYR N N 113.000 0.000 1 574 . 98 TYR H H 8.694 0.007 1 575 . 98 TYR HA H 4.444 0.000 1 576 . 98 TYR HB2 H 3.225 0.000 1 577 . 98 TYR HB3 H 3.039 0.000 1 578 . 98 TYR HD1 H 6.920 0.000 1 579 . 98 TYR HE1 H 6.645 0.007 1 580 . 99 PHE N N 119.000 0.000 1 581 . 99 PHE H H 9.122 0.001 1 582 . 99 PHE HA H 5.699 0.000 1 583 . 99 PHE HB3 H 3.290 0.000 1 584 . 99 PHE HD1 H 7.895 0.000 1 585 . 99 PHE HZ H 6.613 0.000 1 586 . 100 PRO HA H 4.588 0.000 1 587 . 100 PRO HD2 H 3.643 0.000 1 588 . 100 PRO HD3 H 3.641 0.000 1 589 . 101 ASP N N 119.973 0.000 1 590 . 101 ASP H H 8.523 0.000 1 591 . 101 ASP HA H 4.778 0.000 1 592 . 101 ASP HB2 H 2.833 0.000 1 593 . 101 ASP HB3 H 2.770 0.000 1 594 . 102 SER N N 116.560 0.000 1 595 . 102 SER H H 8.332 0.008 1 596 . 102 SER HA H 4.579 0.000 1 597 . 102 SER HB2 H 4.014 0.000 1 598 . 103 GLY N N 116.890 0.000 1 599 . 103 GLY H H 8.213 0.000 1 600 . 103 GLY HA2 H 3.813 0.000 1 stop_ save_ ######################## # Coupling constants # ######################## save_JCOUPLING _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Spectrometer_frequency_1H . _Mol_system_component_name 'DEP monomer' _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 6 LEU H 6 LEU HA 5.66 . . 1.00 2 3JHNHA 9 LEU H 9 LEU HA 5.66 . . 1.00 3 3JHNHA 10 TYR H 10 TYR HA 3.49 . . 1.00 4 3JHNHA 11 LEU H 11 LEU HA 4.30 . . 1.00 5 3JHNHA 12 SER H 12 SER HA 4.82 . . 1.00 6 3JHNHA 13 MET H 13 MET HA 4.76 . . 1.00 7 3JHNHA 14 LYS H 14 LYS HA 4.76 . . 1.00 8 3JHNHA 15 ASP H 15 ASP HA 4.76 . . 1.00 9 3JHNHA 16 THR H 16 THR HA 4.76 . . 1.00 10 3JHNHA 17 GLU H 17 GLU HA 4.76 . . 1.00 11 3JHNHA 18 LYS H 18 LYS HA 4.76 . . 1.00 12 3JHNHA 19 GLY H 19 GLY HA 4.76 . . 1.00 13 3JHNHA 20 ILE H 20 ILE HA 4.76 . . 1.00 14 3JHNHA 21 LYS H 21 LYS HA 9.58 . . 1.00 15 3JHNHA 22 GLU H 22 GLU HA 9.58 . . 1.00 16 3JHNHA 23 LEU H 23 LEU HA 9.58 . . 1.00 17 3JHNHA 24 ASN H 24 ASN HA 9.58 . . 1.00 18 3JHNHA 25 LEU H 25 LEU HA 9.58 . . 1.00 19 3JHNHA 26 GLU H 26 GLU HA 9.58 . . 1.00 20 3JHNHA 27 LYS H 27 LYS HA 12.39 . . 1.00 21 3JHNHA 28 ASP H 28 ASP HA 12.39 . . 1.00 22 3JHNHA 29 LYS H 29 LYS HA 12.39 . . 1.00 23 3JHNHA 30 LYS H 30 LYS HA 12.39 . . 1.00 24 3JHNHA 34 HIS H 34 HIS HA 12.00 . . 1.00 25 3JHNHA 35 CYS H 35 CYS HA 12.00 . . 1.00 26 3JHNHA 36 PHE H 36 PHE HA 7.62 . . 1.00 27 3JHNHA 37 THR H 37 THR HA 5.66 . . 1.00 28 3JHNHA 40 CYS H 40 CYS HA 3.43 . . 1.00 29 3JHNHA 41 VAL H 41 VAL HA 3.34 . . 1.00 30 3JHNHA 42 ILE H 42 ILE HA 3.12 . . 1.00 31 3JHNHA 43 ASP H 43 ASP HA 3.01 . . 1.00 32 3JHNHA 44 TRP H 44 TRP HA 3.81 . . 1.00 33 3JHNHA 47 SER H 47 SER HA 3.81 . . 1.00 34 3JHNHA 48 ASN H 48 ASN HA 3.81 . . 1.00 35 3JHNHA 49 GLN H 49 GLN HA 3.81 . . 1.00 36 3JHNHA 50 SER H 50 SER HA 3.81 . . 1.00 37 3JHNHA 53 ASN H 53 ASN HA 3.81 . . 1.00 38 3JHNHA 54 ARG H 54 ARG HA 3.81 . . 1.00 39 3JHNHA 58 LEU H 58 LEU HA 4.24 . . 1.00 40 3JHNHA 59 MET H 59 MET HA 3.62 . . 1.00 41 3JHNHA 61 ALA H 61 ALA HA 4.48 . . 1.00 42 3JHNHA 62 SER H 62 SER HA 3.16 . . 1.00 43 3JHNHA 63 SER H 63 SER HA 3.21 . . 1.00 44 3JHNHA 64 LEU H 64 LEU HA 3.95 . . 1.00 45 3JHNHA 65 LEU H 65 LEU HA 1.04 . . 1.00 46 3JHNHA 66 ASN H 66 ASN HA 4.59 . . 1.00 47 3JHNHA 69 TYR H 69 TYR HA 4.59 . . 1.00 48 3JHNHA 70 LEU H 70 LEU HA 10.26 . . 1.00 49 3JHNHA 71 GLN H 71 GLN HA 10.25 . . 1.00 50 3JHNHA 73 ALA H 73 ALA HA 9.85 . . 1.00 51 3JHNHA 75 ASP H 75 ASP HA 3.90 . . 1.00 52 3JHNHA 76 MET H 76 MET HA 3.90 . . 1.00 53 3JHNHA 77 SER H 77 SER HA 3.90 . . 1.00 54 3JHNHA 78 LYS H 78 LYS HA 3.90 . . 1.00 55 3JHNHA 79 SER H 79 SER HA 3.90 . . 1.00 56 3JHNHA 80 ALA H 80 ALA HA 3.90 . . 1.00 57 3JHNHA 81 VAL H 81 VAL HA 3.90 . . 1.00 58 3JHNHA 82 ASP H 82 ASP HA 3.90 . . 1.00 59 3JHNHA 83 GLY H 83 GLY HA 3.90 . . 1.00 60 3JHNHA 84 THR H 84 THR HA 3.90 . . 1.00 61 3JHNHA 85 ALA H 85 ALA HA 3.90 . . 1.00 62 3JHNHA 87 ASN H 87 ASN HA 10.20 . . 1.00 63 3JHNHA 89 PHE H 89 PHE HA 8.61 . . 1.00 64 3JHNHA 90 LEU H 90 LEU HA 10.61 . . 1.00 65 3JHNHA 91 ASP H 91 ASP HA 8.25 . . 1.00 66 3JHNHA 92 ASN H 92 ASN HA 10.51 . . 1.00 67 3JHNHA 94 ASP H 94 ASP HA 10.51 . . 1.00 68 3JHNHA 96 PHE H 96 PHE HA 8.49 . . 1.00 69 3JHNHA 97 TYR H 97 TYR HA 10.43 . . 1.00 70 3JHNHA 98 TYR H 98 TYR HA 9.04 . . 1.00 71 3JHNHA 99 PHE H 99 PHE HA 9.75 . . 1.00 stop_ save_