data_19819 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Murine Neuroglobin, Fe3+ form, liganded to cyanide (cyanometNgB) ; _BMRB_accession_number 19819 _BMRB_flat_file_name bmr19819.str _Entry_type original _Submission_date 2014-02-26 _Accession_date 2014-02-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; ngbkcn_formA corresponds to the minor form (30%, form A), ngbkcn_formB corresponds to the major form (70%, form B). These two forms correspond to a 180 reorientation of the heme. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang 'Yin Shan' . . 2 Allemand Frederic . . 3 Guca Ewelina . . 4 Vallone Beatrice . . 5 Delbecq Stephane . . 6 Roumestand Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 579 "13C chemical shifts" 849 "15N chemical shifts" 272 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19818 metNgb stop_ _Original_release_date 2015-03-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C Backbone resonance assignments of murine met-Neuroglobin, free and in complex with cyanide. ; _Citation_status 'in preparation' _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 Yang 'Yin Shan' . . 2 Allemand Frederic . . 3 Guca Ewelina . . 4 Vallone Beatrice . . 5 Delbecq Stephane . . 6 Roumestand Christian . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'Heme orientation' 'Ligand binding' Neuroglobin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name cyanometNgb _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cyanometNgb $cyanometNgb 'cyanide ion' $entity_CYN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cyanometNgb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cyanometNgb _Molecular_mass . _Mol_thiol_state 'not present' _Details ; ngbkcn_formA corresponds to the minor form (30%, form A), ngbkcn_formB corresponds to the major form (70%, form B). These two forms correspond to a 180 reorientation of the heme. ; ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MERPESELIRQSWRVVSRSP LEHGTVLFARLFALEPSLLP LFQYNGRQFSSPEDSLSSPE FLDHIRKVMLVIDAAVTNVE DLSSLEEYLTSLGRKHRAVG VRLSSFSTVGESLLYMLEKS LGPDFTPATRTAWSRLYGAV VQAMSRGWDGE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 ARG 4 4 PRO 5 5 GLU 6 6 SER 7 7 GLU 8 8 LEU 9 9 ILE 10 10 ARG 11 11 GLN 12 12 SER 13 13 TRP 14 14 ARG 15 15 VAL 16 16 VAL 17 17 SER 18 18 ARG 19 19 SER 20 20 PRO 21 21 LEU 22 22 GLU 23 23 HIS 24 24 GLY 25 25 THR 26 26 VAL 27 27 LEU 28 28 PHE 29 29 ALA 30 30 ARG 31 31 LEU 32 32 PHE 33 33 ALA 34 34 LEU 35 35 GLU 36 36 PRO 37 37 SER 38 38 LEU 39 39 LEU 40 40 PRO 41 41 LEU 42 42 PHE 43 43 GLN 44 44 TYR 45 45 ASN 46 46 GLY 47 47 ARG 48 48 GLN 49 49 PHE 50 50 SER 51 51 SER 52 52 PRO 53 53 GLU 54 54 ASP 55 55 SER 56 56 LEU 57 57 SER 58 58 SER 59 59 PRO 60 60 GLU 61 61 PHE 62 62 LEU 63 63 ASP 64 64 HIS 65 65 ILE 66 66 ARG 67 67 LYS 68 68 VAL 69 69 MET 70 70 LEU 71 71 VAL 72 72 ILE 73 73 ASP 74 74 ALA 75 75 ALA 76 76 VAL 77 77 THR 78 78 ASN 79 79 VAL 80 80 GLU 81 81 ASP 82 82 LEU 83 83 SER 84 84 SER 85 85 LEU 86 86 GLU 87 87 GLU 88 88 TYR 89 89 LEU 90 90 THR 91 91 SER 92 92 LEU 93 93 GLY 94 94 ARG 95 95 LYS 96 96 HIS 97 97 ARG 98 98 ALA 99 99 VAL 100 100 GLY 101 101 VAL 102 102 ARG 103 103 LEU 104 104 SER 105 105 SER 106 106 PHE 107 107 SER 108 108 THR 109 109 VAL 110 110 GLY 111 111 GLU 112 112 SER 113 113 LEU 114 114 LEU 115 115 TYR 116 116 MET 117 117 LEU 118 118 GLU 119 119 LYS 120 120 SER 121 121 LEU 122 122 GLY 123 123 PRO 124 124 ASP 125 125 PHE 126 126 THR 127 127 PRO 128 128 ALA 129 129 THR 130 130 ARG 131 131 THR 132 132 ALA 133 133 TRP 134 134 SER 135 135 ARG 136 136 LEU 137 137 TYR 138 138 GLY 139 139 ALA 140 140 VAL 141 141 VAL 142 142 GLN 143 143 ALA 144 144 MET 145 145 SER 146 146 ARG 147 147 GLY 148 148 TRP 149 149 ASP 150 150 GLY 151 151 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 19818 metNgb 100.00 151 100.00 100.00 8.87e-103 PDB 1Q1F "Crystal Structure Of Murine Neuroglobin" 100.00 151 100.00 100.00 8.87e-103 PDB 1W92 "The Structure Of Carbomonoxy Murine Neuroglobin Reveals A Heme-Sliding Mechanism For Affinity Regulation" 100.00 151 100.00 100.00 8.87e-103 PDB 2VRY "Mouse Neuroglobin With Heme Iron In The Reduced Ferrous State" 100.00 154 100.00 100.00 1.14e-102 PDB 3GK9 "Crystal Structure Of Murine Ngb Under Xe Pressure" 100.00 154 100.00 100.00 1.14e-102 PDB 3GKT "Crystal Structure Of Murine Neuroglobin Under Kr Pressure" 100.00 154 100.00 100.00 1.14e-102 PDB 3GLN "Carbonmonoxy Ngb Under Xenon Pressure" 100.00 154 100.00 100.00 1.14e-102 PDB 4MU5 "Crystal Structure Of Murine Neuroglobin Mutant M144w" 100.00 154 99.34 99.34 3.27e-101 PDB 4NZI "Crystal Structure Of Murine Neuroglobin Mutant V140w" 100.00 154 99.34 99.34 2.72e-101 PDB 4O1T "Crystal Structure Of Murine Neuroglobin Mutant F106w" 100.00 154 99.34 100.00 1.41e-101 PDB 4O2G "Crystal Structure Of Carbomonoxy Murine Neuroglobin Mutant V140w" 100.00 154 99.34 99.34 2.72e-101 PDB 4O35 "Crystal Structure Of Carbomonoxy Murine Neuroglobin Mutant F106w" 100.00 154 99.34 100.00 1.41e-101 PDB 4O4T "Murine Neuroglobin Under Xenon Pressure 30 Bar" 100.00 154 100.00 100.00 1.14e-102 PDB 4O4Z "Murine Neuroglobin Under 30 Bar Pressure Nitrous Oxide" 100.00 154 100.00 100.00 1.14e-102 DBJ BAE38375 "unnamed protein product [Mus musculus]" 100.00 151 98.68 98.68 6.07e-102 EMBL CAC11135 "neuroglobin [Mus musculus]" 100.00 151 98.68 98.68 6.07e-102 EMBL CAE30466 "neuroglobin [Mus musculus]" 100.00 151 98.68 98.68 6.07e-102 GB AAH24263 "Neuroglobin [Mus musculus]" 100.00 151 98.68 98.68 6.07e-102 GB EDL02920 "neuroglobin [Mus musculus]" 100.00 151 98.68 98.68 6.07e-102 REF NP_071859 "neuroglobin isoform 2 [Mus musculus]" 100.00 151 98.68 98.68 6.07e-102 SP Q9ER97 "RecName: Full=Neuroglobin" 100.00 151 98.68 98.68 6.07e-102 stop_ save_ ############# # Ligands # ############# save_CYN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CYANIDE ION' _BMRB_code CYN _PDB_code CYN _Molecular_mass 26.017 _Mol_charge -1 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . -1 . ? N N N . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name TRIP C N ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cyanometNgb 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 $cyanometNgb 'recombinant technology' . Escherichia coli . pET15b-tev stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cyanometNgb 0.3 mM '[U-100% 13C; U-100% 15N]' 'Tris, HCl' 50 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 90 % 'natural abundance' PMSF 0.05 mM 'natural abundance' DSS 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure ambient . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'ngbkcn_formB corresponds to the major form (70%, form B)' loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cyanometNgb _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 3 3 ARG H H 8.837 0.01 1 2 3 3 ARG N N 122.82 0.01 1 3 5 5 GLU HA H 3.932 0.01 1 4 5 5 GLU C C 178.03 0.01 1 5 5 5 GLU CA C 59.55 0.01 1 6 5 5 GLU CB C 29.43 0.01 1 7 6 6 SER H H 8.184 0.01 1 8 6 6 SER HA H 3.790 0.01 1 9 6 6 SER C C 176.41 0.01 1 10 6 6 SER CA C 61.98 0.01 1 11 6 6 SER CB C 61.98 0.01 1 12 6 6 SER N N 116.62 0.01 1 13 7 7 GLU H H 7.963 0.01 1 14 7 7 GLU HA H 4.163 0.01 1 15 7 7 GLU C C 178.90 0.01 1 16 7 7 GLU CA C 58.93 0.01 1 17 7 7 GLU CB C 29.47 0.01 1 18 7 7 GLU N N 121.44 0.01 1 19 8 8 LEU H H 7.481 0.01 1 20 8 8 LEU HA H 4.191 0.01 1 21 8 8 LEU C C 181.98 0.01 1 22 8 8 LEU CA C 57.62 0.01 1 23 8 8 LEU CB C 41.50 0.01 1 24 8 8 LEU N N 118.28 0.01 1 25 9 9 ILE H H 7.768 0.01 1 26 9 9 ILE HA H 3.412 0.01 1 27 9 9 ILE C C 177.20 0.01 1 28 9 9 ILE CA C 64.04 0.01 1 29 9 9 ILE CB C 36.89 0.01 1 30 9 9 ILE N N 121.69 0.01 1 31 10 10 ARG H H 8.329 0.01 1 32 10 10 ARG HA H 3.878 0.01 1 33 10 10 ARG C C 180.00 0.01 1 34 10 10 ARG CA C 61.19 0.01 1 35 10 10 ARG CB C 30.72 0.01 1 36 10 10 ARG N N 118.98 0.01 1 37 11 11 GLN H H 8.682 0.01 1 38 11 11 GLN HA H 4.145 0.01 1 39 11 11 GLN C C 178.83 0.01 1 40 11 11 GLN CA C 59.10 0.01 1 41 11 11 GLN CB C 28.49 0.01 1 42 11 11 GLN N N 116.65 0.01 1 43 12 12 SER H H 7.841 0.01 1 44 12 12 SER HA H 4.516 0.01 1 45 12 12 SER C C 176.77 0.01 1 46 12 12 SER CA C 60.82 0.01 1 47 12 12 SER CB C 64.21 0.01 1 48 12 12 SER N N 113.35 0.01 1 49 13 13 TRP H H 9.051 0.01 1 50 13 13 TRP HA H 4.830 0.01 1 51 13 13 TRP C C 177.75 0.01 1 52 13 13 TRP CA C 58.69 0.01 1 53 13 13 TRP CB C 31.50 0.01 1 54 13 13 TRP N N 123.43 0.01 1 55 14 14 ARG H H 7.857 0.01 1 56 14 14 ARG HA H 3.910 0.01 1 57 14 14 ARG C C 178.37 0.01 1 58 14 14 ARG CA C 59.64 0.01 1 59 14 14 ARG CB C 30.10 0.01 1 60 14 14 ARG N N 118.03 0.01 1 61 15 15 VAL H H 7.048 0.01 1 62 15 15 VAL HA H 3.572 0.01 1 63 15 15 VAL C C 178.58 0.01 1 64 15 15 VAL CA C 66.18 0.01 1 65 15 15 VAL CB C 32.02 0.01 1 66 15 15 VAL N N 116.76 0.01 1 67 16 16 VAL H H 6.843 0.01 1 68 16 16 VAL HA H 2.790 0.01 1 69 16 16 VAL C C 178.01 0.01 1 70 16 16 VAL CA C 64.65 0.01 1 71 16 16 VAL CB C 31.49 0.01 1 72 16 16 VAL N N 120.38 0.01 1 73 17 17 SER H H 8.065 0.01 1 74 17 17 SER HA H 3.388 0.01 1 75 17 17 SER C C 174.42 0.01 1 76 17 17 SER CA C 60.52 0.01 1 77 17 17 SER CB C 62.72 0.01 1 78 17 17 SER N N 111.74 0.01 1 79 18 18 ARG H H 6.946 0.01 1 80 18 18 ARG HA H 4.186 0.01 1 81 18 18 ARG C C 177.74 0.01 1 82 18 18 ARG CA C 58.30 0.01 1 83 18 18 ARG CB C 30.79 0.01 1 84 18 18 ARG N N 119.65 0.01 1 85 19 19 SER H H 7.541 0.01 1 86 19 19 SER HA H 4.849 0.01 1 87 19 19 SER CA C 55.24 0.01 1 88 19 19 SER CB C 62.85 0.01 1 89 19 19 SER N N 110.11 0.01 1 90 22 22 GLU HA H 4.055 0.01 1 91 22 22 GLU C C 180.02 0.01 1 92 22 22 GLU CA C 60.17 0.01 1 93 22 22 GLU CB C 29.08 0.01 1 94 23 23 HIS H H 7.670 0.01 1 95 23 23 HIS HA H 4.597 0.01 1 96 23 23 HIS C C 178.32 0.01 1 97 23 23 HIS CA C 60.55 0.01 1 98 23 23 HIS CB C 30.06 0.01 1 99 23 23 HIS N N 117.85 0.01 1 100 24 24 GLY H H 9.191 0.01 1 101 24 24 GLY HA2 H 4.600 0.01 2 102 24 24 GLY HA3 H 4.293 0.01 2 103 24 24 GLY C C 176.60 0.01 1 104 24 24 GLY CA C 48.53 0.01 1 105 24 24 GLY N N 110.17 0.01 1 106 25 25 THR H H 8.702 0.01 1 107 25 25 THR HA H 4.575 0.01 1 108 25 25 THR C C 176.26 0.01 1 109 25 25 THR CA C 67.90 0.01 1 110 25 25 THR CB C 69.32 0.01 1 111 25 25 THR N N 115.77 0.01 1 112 26 26 VAL H H 7.498 0.01 1 113 26 26 VAL HA H 3.972 0.01 1 114 26 26 VAL C C 178.76 0.01 1 115 26 26 VAL CA C 66.88 0.01 1 116 26 26 VAL CB C 31.70 0.01 1 117 26 26 VAL N N 123.52 0.01 1 118 27 27 LEU H H 7.916 0.01 1 119 27 27 LEU HA H 4.156 0.01 1 120 27 27 LEU C C 179.65 0.01 1 121 27 27 LEU CA C 60.60 0.01 1 122 27 27 LEU CB C 42.96 0.01 1 123 27 27 LEU N N 121.39 0.01 1 124 28 28 PHE H H 8.946 0.01 1 125 28 28 PHE HA H 4.643 0.01 1 126 28 28 PHE C C 177.09 0.01 1 127 28 28 PHE CA C 64.53 0.01 1 128 28 28 PHE CB C 40.17 0.01 1 129 28 28 PHE N N 116.97 0.01 1 130 29 29 ALA H H 9.128 0.01 1 131 29 29 ALA HA H 4.431 0.01 1 132 29 29 ALA C C 181.59 0.01 1 133 29 29 ALA CA C 55.77 0.01 1 134 29 29 ALA CB C 18.18 0.01 1 135 29 29 ALA N N 121.59 0.01 1 136 30 30 ARG H H 8.085 0.01 1 137 30 30 ARG HA H 4.077 0.01 1 138 30 30 ARG C C 177.07 0.01 1 139 30 30 ARG CA C 57.14 0.01 1 140 30 30 ARG CB C 29.72 0.01 1 141 30 30 ARG N N 119.58 0.01 1 142 31 31 LEU H H 8.540 0.01 1 143 31 31 LEU HA H 3.912 0.01 1 144 31 31 LEU C C 178.89 0.01 1 145 31 31 LEU CA C 59.15 0.01 1 146 31 31 LEU CB C 42.92 0.01 1 147 31 31 LEU N N 123.07 0.01 1 148 32 32 PHE H H 8.224 0.01 1 149 32 32 PHE HA H 4.718 0.01 1 150 32 32 PHE C C 177.93 0.01 1 151 32 32 PHE CA C 57.73 0.01 1 152 32 32 PHE CB C 38.36 0.01 1 153 32 32 PHE N N 113.33 0.01 1 154 33 33 ALA H H 7.698 0.01 1 155 33 33 ALA HA H 4.326 0.01 1 156 33 33 ALA C C 180.33 0.01 1 157 33 33 ALA CA C 54.40 0.01 1 158 33 33 ALA CB C 18.61 0.01 1 159 33 33 ALA N N 121.49 0.01 1 160 34 34 LEU H H 8.173 0.01 1 161 34 34 LEU HA H 4.122 0.01 1 162 34 34 LEU C C 178.70 0.01 1 163 34 34 LEU CA C 56.91 0.01 1 164 34 34 LEU CB C 43.48 0.01 1 165 34 34 LEU N N 118.37 0.01 1 166 35 35 GLU H H 8.459 0.01 1 167 35 35 GLU HA H 4.281 0.01 1 168 35 35 GLU C C 172.41 0.01 1 169 35 35 GLU CA C 54.13 0.01 1 170 35 35 GLU CB C 31.15 0.01 1 171 35 35 GLU N N 119.27 0.01 1 172 36 36 PRO HA H 4.692 0.01 1 173 36 36 PRO C C 179.70 0.01 1 174 36 36 PRO CA C 65.17 0.01 1 175 36 36 PRO CB C 31.83 0.01 1 176 37 37 SER H H 8.082 0.01 1 177 37 37 SER HA H 4.141 0.01 1 178 37 37 SER C C 175.30 0.01 1 179 37 37 SER CA C 60.24 0.01 1 180 37 37 SER CB C 62.27 0.01 1 181 37 37 SER N N 111.87 0.01 1 182 38 38 LEU H H 8.081 0.01 1 183 38 38 LEU HA H 4.061 0.01 1 184 38 38 LEU C C 178.20 0.01 1 185 38 38 LEU CA C 55.91 0.01 1 186 38 38 LEU CB C 42.61 0.01 1 187 38 38 LEU N N 120.47 0.01 1 188 39 39 LEU H H 7.416 0.01 1 189 39 39 LEU HA H 4.113 0.01 1 190 39 39 LEU C C 176.09 0.01 1 191 39 39 LEU CA C 59.98 0.01 1 192 39 39 LEU CB C 39.81 0.01 1 193 39 39 LEU N N 119.24 0.01 1 194 40 40 PRO HA H 4.322 0.01 1 195 40 40 PRO C C 176.60 0.01 1 196 40 40 PRO CA C 65.00 0.01 1 197 40 40 PRO CB C 31.46 0.01 1 198 41 41 LEU H H 7.239 0.01 1 199 41 41 LEU HA H 3.679 0.01 1 200 41 41 LEU C C 177.20 0.01 1 201 41 41 LEU CA C 56.41 0.01 1 202 41 41 LEU CB C 41.71 0.01 1 203 41 41 LEU N N 114.44 0.01 1 204 42 42 PHE H H 7.452 0.01 1 205 42 42 PHE HA H 4.136 0.01 1 206 42 42 PHE C C 173.98 0.01 1 207 42 42 PHE CA C 57.82 0.01 1 208 42 42 PHE CB C 39.04 0.01 1 209 42 42 PHE N N 117.15 0.01 1 210 43 43 GLN H H 7.594 0.01 1 211 43 43 GLN HA H 4.409 0.01 1 212 43 43 GLN C C 174.95 0.01 1 213 43 43 GLN CA C 54.51 0.01 1 214 43 43 GLN CB C 30.52 0.01 1 215 43 43 GLN N N 120.80 0.01 1 216 44 44 TYR H H 7.792 0.01 1 217 44 44 TYR HA H 4.566 0.01 1 218 44 44 TYR C C 176.32 0.01 1 219 44 44 TYR CA C 57.24 0.01 1 220 44 44 TYR CB C 40.27 0.01 1 221 44 44 TYR N N 120.71 0.01 1 222 45 45 ASN HA H 4.346 0.01 1 223 45 45 ASN C C 175.38 0.01 1 224 45 45 ASN CA C 54.19 0.01 1 225 45 45 ASN CB C 37.85 0.01 1 226 46 46 GLY H H 8.565 0.01 1 227 46 46 GLY HA2 H 3.992 0.01 2 228 46 46 GLY HA3 H 3.592 0.01 2 229 46 46 GLY C C 173.92 0.01 1 230 46 46 GLY CA C 45.74 0.01 1 231 46 46 GLY N N 104.44 0.01 1 232 47 47 ARG H H 7.610 0.01 1 233 47 47 ARG HA H 4.646 0.01 1 234 47 47 ARG C C 175.16 0.01 1 235 47 47 ARG CA C 55.25 0.01 1 236 47 47 ARG CB C 32.44 0.01 1 237 47 47 ARG N N 119.88 0.01 1 238 48 48 GLN H H 8.338 0.01 1 239 48 48 GLN HA H 4.315 0.01 1 240 48 48 GLN C C 176.48 0.01 1 241 48 48 GLN CA C 54.29 0.01 1 242 48 48 GLN CB C 30.76 0.01 1 243 48 48 GLN N N 121.72 0.01 1 244 49 49 PHE H H 9.414 0.01 1 245 49 49 PHE HA H 4.818 0.01 1 246 49 49 PHE C C 176.62 0.01 1 247 49 49 PHE CA C 57.53 0.01 1 248 49 49 PHE CB C 39.82 0.01 1 249 49 49 PHE N N 122.95 0.01 1 250 50 50 SER H H 9.615 0.01 1 251 50 50 SER HA H 4.407 0.01 1 252 50 50 SER C C 174.22 0.01 1 253 50 50 SER CA C 59.87 0.01 1 254 50 50 SER CB C 64.09 0.01 1 255 50 50 SER N N 117.06 0.01 1 256 51 51 SER H H 7.776 0.01 1 257 51 51 SER HA H 4.869 0.01 1 258 51 51 SER C C 173.21 0.01 1 259 51 51 SER CA C 56.33 0.01 1 260 51 51 SER CB C 64.22 0.01 1 261 51 51 SER N N 114.08 0.01 1 262 52 52 PRO HA H 4.057 0.01 1 263 52 52 PRO C C 178.77 0.01 1 264 52 52 PRO CA C 65.28 0.01 1 265 52 52 PRO CB C 32.24 0.01 1 266 53 53 GLU H H 9.066 0.01 1 267 53 53 GLU HA H 3.971 0.01 1 268 53 53 GLU C C 178.87 0.01 1 269 53 53 GLU CA C 60.78 0.01 1 270 53 53 GLU CB C 28.54 0.01 1 271 53 53 GLU N N 118.33 0.01 1 272 54 54 ASP H H 7.753 0.01 1 273 54 54 ASP HA H 4.397 0.01 1 274 54 54 ASP C C 178.63 0.01 1 275 54 54 ASP CA C 56.95 0.01 1 276 54 54 ASP CB C 41.78 0.01 1 277 54 54 ASP N N 119.76 0.01 1 278 55 55 SER H H 7.232 0.01 1 279 55 55 SER HA H 2.591 0.01 1 280 55 55 SER C C 175.76 0.01 1 281 55 55 SER CA C 61.80 0.01 1 282 55 55 SER CB C 62.50 0.01 1 283 55 55 SER N N 115.55 0.01 1 284 56 56 LEU H H 7.341 0.01 1 285 56 56 LEU HA H 4.330 0.01 1 286 56 56 LEU C C 176.58 0.01 1 287 56 56 LEU CA C 56.78 0.01 1 288 56 56 LEU CB C 41.15 0.01 1 289 56 56 LEU N N 118.41 0.01 1 290 57 57 SER H H 7.348 0.01 1 291 57 57 SER HA H 4.704 0.01 1 292 57 57 SER C C 174.53 0.01 1 293 57 57 SER CA C 57.59 0.01 1 294 57 57 SER CB C 64.57 0.01 1 295 57 57 SER N N 110.07 0.01 1 296 58 58 SER H H 7.569 0.01 1 297 58 58 SER HA H 5.043 0.01 1 298 58 58 SER C C 173.58 0.01 1 299 58 58 SER CA C 55.32 0.01 1 300 58 58 SER CB C 64.41 0.01 1 301 58 58 SER N N 119.80 0.01 1 302 59 59 PRO HA H 4.256 0.01 1 303 59 59 PRO C C 179.58 0.01 1 304 59 59 PRO CA C 65.34 0.01 1 305 59 59 PRO CB C 32.05 0.01 1 306 60 60 GLU H H 8.812 0.01 1 307 60 60 GLU HA H 3.913 0.01 1 308 60 60 GLU C C 179.38 0.01 1 309 60 60 GLU CA C 60.40 0.01 1 310 60 60 GLU CB C 28.46 0.01 1 311 60 60 GLU N N 117.98 0.01 1 312 61 61 PHE H H 8.072 0.01 1 313 61 61 PHE HA H 4.540 0.01 1 314 61 61 PHE C C 178.24 0.01 1 315 61 61 PHE CA C 61.12 0.01 1 316 61 61 PHE CB C 39.64 0.01 1 317 61 61 PHE N N 123.03 0.01 1 318 62 62 LEU H H 8.625 0.01 1 319 62 62 LEU HA H 4.105 0.01 1 320 62 62 LEU C C 179.68 0.01 1 321 62 62 LEU CA C 58.75 0.01 1 322 62 62 LEU CB C 40.68 0.01 1 323 62 62 LEU N N 119.93 0.01 1 324 63 63 ASP H H 7.668 0.01 1 325 63 63 ASP HA H 4.331 0.01 1 326 63 63 ASP C C 178.08 0.01 1 327 63 63 ASP CA C 57.39 0.01 1 328 63 63 ASP CB C 40.83 0.01 1 329 63 63 ASP N N 118.35 0.01 1 330 64 64 HIS H H 7.387 0.01 1 331 64 64 HIS HA H 3.489 0.01 1 332 64 64 HIS C C 176.60 0.01 1 333 64 64 HIS CA C 60.93 0.01 1 334 64 64 HIS CB C 29.37 0.01 1 335 64 64 HIS N N 120.35 0.01 1 336 65 65 ILE H H 8.437 0.01 1 337 65 65 ILE HA H 3.777 0.01 1 338 65 65 ILE C C 178.33 0.01 1 339 65 65 ILE CA C 67.06 0.01 1 340 65 65 ILE CB C 37.68 0.01 1 341 65 65 ILE N N 118.89 0.01 1 342 66 66 ARG H H 7.831 0.01 1 343 66 66 ARG HA H 3.675 0.01 1 344 66 66 ARG C C 178.82 0.01 1 345 66 66 ARG CA C 60.22 0.01 1 346 66 66 ARG CB C 30.01 0.01 1 347 66 66 ARG N N 117.82 0.01 1 348 67 67 LYS H H 7.210 0.01 1 349 67 67 LYS HA H 3.304 0.01 1 350 67 67 LYS C C 178.80 0.01 1 351 67 67 LYS CA C 59.59 0.01 1 352 67 67 LYS CB C 31.41 0.01 1 353 67 67 LYS N N 117.81 0.01 1 354 68 68 VAL H H 7.448 0.01 1 355 68 68 VAL HA H 1.516 0.01 1 356 68 68 VAL C C 178.48 0.01 1 357 68 68 VAL CA C 67.52 0.01 1 358 68 68 VAL CB C 31.79 0.01 1 359 68 68 VAL N N 120.96 0.01 1 360 69 69 MET H H 8.351 0.01 1 361 69 69 MET HA H 4.577 0.01 1 362 69 69 MET C C 179.97 0.01 1 363 69 69 MET CA C 57.08 0.01 1 364 69 69 MET CB C 30.24 0.01 1 365 69 69 MET N N 115.90 0.01 1 366 70 70 LEU H H 7.594 0.01 1 367 70 70 LEU HA H 4.151 0.01 1 368 70 70 LEU C C 180.13 0.01 1 369 70 70 LEU CA C 57.60 0.01 1 370 70 70 LEU CB C 41.84 0.01 1 371 70 70 LEU N N 120.91 0.01 1 372 71 71 VAL H H 7.196 0.01 1 373 71 71 VAL HA H 3.411 0.01 1 374 71 71 VAL C C 177.62 0.01 1 375 71 71 VAL CA C 66.56 0.01 1 376 71 71 VAL CB C 30.35 0.01 1 377 71 71 VAL N N 122.91 0.01 1 378 72 72 ILE H H 7.514 0.01 1 379 72 72 ILE HA H 3.243 0.01 1 380 72 72 ILE C C 177.35 0.01 1 381 72 72 ILE CA C 65.37 0.01 1 382 72 72 ILE CB C 35.84 0.01 1 383 72 72 ILE N N 119.28 0.01 1 384 73 73 ASP H H 8.287 0.01 1 385 73 73 ASP HA H 3.995 0.01 1 386 73 73 ASP C C 178.14 0.01 1 387 73 73 ASP CA C 58.12 0.01 1 388 73 73 ASP CB C 43.59 0.01 1 389 73 73 ASP N N 118.57 0.01 1 390 74 74 ALA H H 7.764 0.01 1 391 74 74 ALA HA H 3.973 0.01 1 392 74 74 ALA C C 180.25 0.01 1 393 74 74 ALA CA C 55.19 0.01 1 394 74 74 ALA CB C 17.33 0.01 1 395 74 74 ALA N N 122.59 0.01 1 396 75 75 ALA H H 7.995 0.01 1 397 75 75 ALA HA H 3.619 0.01 1 398 75 75 ALA C C 177.48 0.01 1 399 75 75 ALA CA C 55.24 0.01 1 400 75 75 ALA CB C 16.44 0.01 1 401 75 75 ALA N N 123.70 0.01 1 402 76 76 VAL H H 7.903 0.01 1 403 76 76 VAL HA H 2.912 0.01 1 404 76 76 VAL C C 180.02 0.01 1 405 76 76 VAL CA C 66.82 0.01 1 406 76 76 VAL CB C 31.01 0.01 1 407 76 76 VAL N N 116.35 0.01 1 408 77 77 THR H H 8.511 0.01 1 409 77 77 THR HA H 3.785 0.01 1 410 77 77 THR C C 175.29 0.01 1 411 77 77 THR CA C 66.55 0.01 1 412 77 77 THR CB C 68.94 0.01 1 413 77 77 THR N N 116.84 0.01 1 414 78 78 ASN H H 7.400 0.01 1 415 78 78 ASN HA H 4.800 0.01 1 416 78 78 ASN C C 175.10 0.01 1 417 78 78 ASN CA C 53.76 0.01 1 418 78 78 ASN CB C 39.26 0.01 1 419 78 78 ASN N N 117.66 0.01 1 420 79 79 VAL H H 6.907 0.01 1 421 79 79 VAL HA H 3.609 0.01 1 422 79 79 VAL C C 174.91 0.01 1 423 79 79 VAL CA C 65.46 0.01 1 424 79 79 VAL CB C 31.06 0.01 1 425 79 79 VAL N N 120.46 0.01 1 426 80 80 GLU H H 8.116 0.01 1 427 80 80 GLU HA H 4.124 0.01 1 428 80 80 GLU C C 177.15 0.01 1 429 80 80 GLU CA C 58.14 0.01 1 430 80 80 GLU CB C 29.56 0.01 1 431 80 80 GLU N N 117.41 0.01 1 432 81 81 ASP H H 7.933 0.01 1 433 81 81 ASP HA H 4.663 0.01 1 434 81 81 ASP C C 176.08 0.01 1 435 81 81 ASP CA C 54.16 0.01 1 436 81 81 ASP CB C 40.22 0.01 1 437 81 81 ASP N N 116.80 0.01 1 438 82 82 LEU H H 8.930 0.01 1 439 82 82 LEU HA H 4.045 0.01 1 440 82 82 LEU C C 179.55 0.01 1 441 82 82 LEU CA C 56.64 0.01 1 442 82 82 LEU CB C 42.08 0.01 1 443 82 82 LEU N N 127.53 0.01 1 444 83 83 SER H H 8.481 0.01 1 445 83 83 SER HA H 4.197 0.01 1 446 83 83 SER C C 177.44 0.01 1 447 83 83 SER CA C 62.35 0.01 1 448 83 83 SER CB C 62.35 0.01 1 449 83 83 SER N N 117.39 0.01 1 450 84 84 SER H H 7.933 0.01 1 451 84 84 SER HA H 4.313 0.01 1 452 84 84 SER C C 175.42 0.01 1 453 84 84 SER CA C 60.86 0.01 1 454 84 84 SER CB C 63.09 0.01 1 455 84 84 SER N N 117.60 0.01 1 456 85 85 LEU H H 7.854 0.01 1 457 85 85 LEU HA H 4.688 0.01 1 458 85 85 LEU C C 176.97 0.01 1 459 85 85 LEU CA C 54.10 0.01 1 460 85 85 LEU CB C 43.84 0.01 1 461 85 85 LEU N N 120.81 0.01 1 462 86 86 GLU H H 7.546 0.01 1 463 86 86 GLU HA H 3.823 0.01 1 464 86 86 GLU C C 178.48 0.01 1 465 86 86 GLU CA C 61.75 0.01 1 466 86 86 GLU CB C 30.29 0.01 1 467 86 86 GLU N N 121.29 0.01 1 468 87 87 GLU H H 8.924 0.01 1 469 87 87 GLU HA H 4.194 0.01 1 470 87 87 GLU C C 179.42 0.01 1 471 87 87 GLU CA C 60.39 0.01 1 472 87 87 GLU CB C 29.05 0.01 1 473 87 87 GLU N N 120.69 0.01 1 474 88 88 TYR H H 8.566 0.01 1 475 88 88 TYR HA H 4.362 0.01 1 476 88 88 TYR C C 178.61 0.01 1 477 88 88 TYR CA C 61.53 0.01 1 478 88 88 TYR CB C 38.24 0.01 1 479 88 88 TYR N N 122.20 0.01 1 480 89 89 LEU H H 9.009 0.01 1 481 89 89 LEU HA H 4.136 0.01 1 482 89 89 LEU C C 180.16 0.01 1 483 89 89 LEU CA C 58.17 0.01 1 484 89 89 LEU CB C 41.89 0.01 1 485 89 89 LEU N N 119.21 0.01 1 486 90 90 THR H H 9.058 0.01 1 487 90 90 THR HA H 4.539 0.01 1 488 90 90 THR C C 177.46 0.01 1 489 90 90 THR CA C 68.40 0.01 1 490 90 90 THR CB C 68.70 0.01 1 491 90 90 THR N N 119.46 0.01 1 492 91 91 SER H H 8.372 0.01 1 493 91 91 SER HA H 4.606 0.01 1 494 91 91 SER C C 178.22 0.01 1 495 91 91 SER CA C 62.84 0.01 1 496 91 91 SER CB C 62.84 0.01 1 497 91 91 SER N N 119.23 0.01 1 498 92 92 LEU H H 9.144 0.01 1 499 92 92 LEU HA H 5.545 0.01 1 500 92 92 LEU C C 184.66 0.01 1 501 92 92 LEU CA C 58.80 0.01 1 502 92 92 LEU CB C 43.47 0.01 1 503 92 92 LEU N N 125.47 0.01 1 504 93 93 GLY H H 10.410 0.01 1 505 93 93 GLY HA2 H 6.247 0.01 2 506 93 93 GLY HA3 H 6.118 0.01 2 507 93 93 GLY C C 176.14 0.01 1 508 93 93 GLY CA C 50.42 0.01 1 509 93 93 GLY N N 116.16 0.01 1 510 94 94 ARG H H 9.412 0.01 1 511 94 94 ARG HA H 4.591 0.01 1 512 94 94 ARG C C 180.52 0.01 1 513 94 94 ARG CA C 61.24 0.01 1 514 94 94 ARG CB C 30.26 0.01 1 515 94 94 ARG N N 124.44 0.01 1 516 95 95 LYS H H 9.121 0.01 1 517 95 95 LYS HA H 5.094 0.01 1 518 95 95 LYS C C 180.67 0.01 1 519 95 95 LYS CA C 60.71 0.01 1 520 95 95 LYS CB C 33.54 0.01 1 521 95 95 LYS N N 120.69 0.01 1 522 96 96 HIS H H 10.859 0.01 1 523 96 96 HIS HA H 6.896 0.01 1 524 96 96 HIS C C 178.16 0.01 1 525 96 96 HIS CA C 70.19 0.01 1 526 96 96 HIS CB C 27.04 0.01 1 527 96 96 HIS N N 119.75 0.01 1 528 97 97 ARG H H 9.215 0.01 1 529 97 97 ARG HA H 4.068 0.01 1 530 97 97 ARG C C 180.67 0.01 1 531 97 97 ARG CA C 60.07 0.01 1 532 97 97 ARG CB C 28.99 0.01 1 533 97 97 ARG N N 124.16 0.01 1 534 98 98 ALA H H 8.392 0.01 1 535 98 98 ALA HA H 4.395 0.01 1 536 98 98 ALA C C 179.61 0.01 1 537 98 98 ALA CA C 55.38 0.01 1 538 98 98 ALA CB C 18.77 0.01 1 539 98 98 ALA N N 121.07 0.01 1 540 99 99 VAL H H 7.830 0.01 1 541 99 99 VAL HA H 4.481 0.01 1 542 99 99 VAL C C 175.70 0.01 1 543 99 99 VAL CA C 61.91 0.01 1 544 99 99 VAL CB C 31.75 0.01 1 545 99 99 VAL N N 111.53 0.01 1 546 100 100 GLY H H 7.604 0.01 1 547 100 100 GLY HA2 H 4.108 0.01 2 548 100 100 GLY HA3 H 3.624 0.01 2 549 100 100 GLY C C 174.70 0.01 1 550 100 100 GLY CA C 45.32 0.01 1 551 100 100 GLY N N 105.84 0.01 1 552 101 101 VAL H H 7.325 0.01 1 553 101 101 VAL HA H 2.773 0.01 1 554 101 101 VAL C C 174.96 0.01 1 555 101 101 VAL CA C 62.94 0.01 1 556 101 101 VAL CB C 30.80 0.01 1 557 101 101 VAL N N 120.75 0.01 1 558 102 102 ARG H H 8.769 0.01 1 559 102 102 ARG HA H 4.412 0.01 1 560 102 102 ARG C C 176.75 0.01 1 561 102 102 ARG CA C 54.27 0.01 1 562 102 102 ARG CB C 31.10 0.01 1 563 102 102 ARG N N 127.83 0.01 1 564 103 103 LEU H H 8.233 0.01 1 565 103 103 LEU HA H 3.206 0.01 1 566 103 103 LEU C C 180.22 0.01 1 567 103 103 LEU CA C 57.20 0.01 1 568 103 103 LEU CB C 41.86 0.01 1 569 103 103 LEU N N 121.90 0.01 1 570 104 104 SER H H 7.936 0.01 1 571 104 104 SER HA H 3.932 0.01 1 572 104 104 SER C C 176.76 0.01 1 573 104 104 SER CA C 60.35 0.01 1 574 104 104 SER CB C 61.99 0.01 1 575 104 104 SER N N 112.29 0.01 1 576 105 105 SER H H 7.305 0.01 1 577 105 105 SER HA H 4.258 0.01 1 578 105 105 SER C C 174.88 0.01 1 579 105 105 SER CA C 60.79 0.01 1 580 105 105 SER CB C 62.10 0.01 1 581 105 105 SER N N 117.28 0.01 1 582 106 106 PHE H H 7.478 0.01 1 583 106 106 PHE HA H 3.291 0.01 1 584 106 106 PHE C C 180.77 0.01 1 585 106 106 PHE CA C 62.69 0.01 1 586 106 106 PHE CB C 37.67 0.01 1 587 106 106 PHE N N 118.52 0.01 1 588 107 107 SER HA H 3.911 0.01 1 589 107 107 SER C C 176.14 0.01 1 590 107 107 SER CA C 61.91 0.01 1 591 107 107 SER CB C 61.91 0.01 1 592 108 108 THR H H 7.040 0.01 1 593 108 108 THR HA H 3.805 0.01 1 594 108 108 THR C C 178.12 0.01 1 595 108 108 THR CA C 65.06 0.01 1 596 108 108 THR CB C 67.65 0.01 1 597 108 108 THR N N 119.12 0.01 1 598 109 109 VAL H H 7.168 0.01 1 599 109 109 VAL HA H 3.349 0.01 1 600 109 109 VAL C C 177.20 0.01 1 601 109 109 VAL CA C 67.19 0.01 1 602 109 109 VAL CB C 30.50 0.01 1 603 109 109 VAL N N 122.78 0.01 1 604 110 110 GLY H H 7.422 0.01 1 605 110 110 GLY HA2 H 3.463 0.01 2 606 110 110 GLY HA3 H 2.429 0.01 2 607 110 110 GLY C C 175.57 0.01 1 608 110 110 GLY CA C 48.11 0.01 1 609 110 110 GLY N N 107.51 0.01 1 610 111 111 GLU H H 7.858 0.01 1 611 111 111 GLU HA H 3.952 0.01 1 612 111 111 GLU C C 180.29 0.01 1 613 111 111 GLU CA C 59.41 0.01 1 614 111 111 GLU CB C 29.34 0.01 1 615 111 111 GLU N N 119.67 0.01 1 616 112 112 SER H H 7.813 0.01 1 617 112 112 SER HA H 4.128 0.01 1 618 112 112 SER C C 175.24 0.01 1 619 112 112 SER CA C 63.02 0.01 1 620 112 112 SER CB C 63.02 0.01 1 621 112 112 SER N N 118.31 0.01 1 622 113 113 LEU H H 8.578 0.01 1 623 113 113 LEU HA H 4.039 0.01 1 624 113 113 LEU C C 177.96 0.01 1 625 113 113 LEU CA C 58.73 0.01 1 626 113 113 LEU CB C 42.06 0.01 1 627 113 113 LEU N N 125.42 0.01 1 628 114 114 LEU H H 8.006 0.01 1 629 114 114 LEU HA H 3.881 0.01 1 630 114 114 LEU C C 178.90 0.01 1 631 114 114 LEU CA C 58.50 0.01 1 632 114 114 LEU CB C 40.85 0.01 1 633 114 114 LEU N N 117.28 0.01 1 634 115 115 TYR H H 8.143 0.01 1 635 115 115 TYR HA H 4.123 0.01 1 636 115 115 TYR C C 176.63 0.01 1 637 115 115 TYR CA C 61.80 0.01 1 638 115 115 TYR CB C 38.81 0.01 1 639 115 115 TYR N N 121.18 0.01 1 640 116 116 MET H H 8.309 0.01 1 641 116 116 MET HA H 3.792 0.01 1 642 116 116 MET C C 179.05 0.01 1 643 116 116 MET CA C 59.40 0.01 1 644 116 116 MET CB C 31.88 0.01 1 645 116 116 MET N N 119.82 0.01 1 646 117 117 LEU H H 7.963 0.01 1 647 117 117 LEU HA H 3.460 0.01 1 648 117 117 LEU C C 177.53 0.01 1 649 117 117 LEU CA C 57.88 0.01 1 650 117 117 LEU CB C 42.13 0.01 1 651 117 117 LEU N N 121.66 0.01 1 652 118 118 GLU H H 7.955 0.01 1 653 118 118 GLU HA H 3.253 0.01 1 654 118 118 GLU C C 179.83 0.01 1 655 118 118 GLU CA C 59.92 0.01 1 656 118 118 GLU CB C 29.32 0.01 1 657 118 118 GLU N N 121.35 0.01 1 658 119 119 LYS H H 8.095 0.01 1 659 119 119 LYS HA H 3.885 0.01 1 660 119 119 LYS C C 178.82 0.01 1 661 119 119 LYS CA C 57.61 0.01 1 662 119 119 LYS CB C 31.46 0.01 1 663 119 119 LYS N N 118.35 0.01 1 664 120 120 SER H H 7.729 0.01 1 665 120 120 SER HA H 4.238 0.01 1 666 120 120 SER C C 176.27 0.01 1 667 120 120 SER CA C 60.52 0.01 1 668 120 120 SER CB C 63.56 0.01 1 669 120 120 SER N N 112.47 0.01 1 670 121 121 LEU H H 8.126 0.01 1 671 121 121 LEU HA H 4.415 0.01 1 672 121 121 LEU C C 179.32 0.01 1 673 121 121 LEU CA C 55.71 0.01 1 674 121 121 LEU CB C 44.31 0.01 1 675 121 121 LEU N N 118.80 0.01 1 676 122 122 GLY H H 8.197 0.01 1 677 122 122 GLY HA2 H 4.196 0.01 2 678 122 122 GLY HA3 H 3.786 0.01 2 679 122 122 GLY C C 174.95 0.01 1 680 122 122 GLY CA C 45.62 0.01 1 681 122 122 GLY N N 111.97 0.01 1 682 123 123 PRO HA H 4.461 0.01 1 683 123 123 PRO C C 177.28 0.01 1 684 123 123 PRO CA C 64.29 0.01 1 685 123 123 PRO CB C 32.03 0.01 1 686 124 124 ASP H H 7.617 0.01 1 687 124 124 ASP HA H 4.796 0.01 1 688 124 124 ASP C C 176.87 0.01 1 689 124 124 ASP CA C 55.60 0.01 1 690 124 124 ASP CB C 40.49 0.01 1 691 124 124 ASP N N 116.28 0.01 1 692 125 125 PHE H H 8.482 0.01 1 693 125 125 PHE HA H 4.816 0.01 1 694 125 125 PHE C C 173.80 0.01 1 695 125 125 PHE CA C 56.41 0.01 1 696 125 125 PHE CB C 36.97 0.01 1 697 125 125 PHE N N 125.68 0.01 1 698 126 126 THR H H 7.257 0.01 1 699 126 126 THR HA H 4.618 0.01 1 700 126 126 THR C C 173.12 0.01 1 701 126 126 THR CA C 60.23 0.01 1 702 126 126 THR CB C 68.81 0.01 1 703 126 126 THR N N 114.29 0.01 1 704 127 127 PRO HA H 4.137 0.01 1 705 127 127 PRO C C 179.07 0.01 1 706 127 127 PRO CA C 66.28 0.01 1 707 127 127 PRO CB C 31.58 0.01 1 708 128 128 ALA H H 8.283 0.01 1 709 128 128 ALA HA H 4.109 0.01 1 710 128 128 ALA C C 180.77 0.01 1 711 128 128 ALA CA C 55.22 0.01 1 712 128 128 ALA CB C 18.61 0.01 1 713 128 128 ALA N N 118.32 0.01 1 714 129 129 THR H H 7.821 0.01 1 715 129 129 THR HA H 3.793 0.01 1 716 129 129 THR C C 175.49 0.01 1 717 129 129 THR CA C 68.00 0.01 1 718 129 129 THR CB C 68.00 0.01 1 719 129 129 THR N N 119.26 0.01 1 720 130 130 ARG H H 8.089 0.01 1 721 130 130 ARG HA H 3.695 0.01 1 722 130 130 ARG C C 178.72 0.01 1 723 130 130 ARG CA C 60.20 0.01 1 724 130 130 ARG CB C 29.74 0.01 1 725 130 130 ARG N N 123.77 0.01 1 726 131 131 THR H H 8.527 0.01 1 727 131 131 THR HA H 3.841 0.01 1 728 131 131 THR C C 176.21 0.01 1 729 131 131 THR CA C 66.92 0.01 1 730 131 131 THR CB C 68.84 0.01 1 731 131 131 THR N N 117.61 0.01 1 732 132 132 ALA H H 7.925 0.01 1 733 132 132 ALA HA H 4.016 0.01 1 734 132 132 ALA C C 179.92 0.01 1 735 132 132 ALA CA C 55.87 0.01 1 736 132 132 ALA CB C 18.15 0.01 1 737 132 132 ALA N N 124.39 0.01 1 738 133 133 TRP H H 8.362 0.01 1 739 133 133 TRP HA H 4.038 0.01 1 740 133 133 TRP C C 178.95 0.01 1 741 133 133 TRP CA C 62.24 0.01 1 742 133 133 TRP CB C 29.44 0.01 1 743 133 133 TRP N N 118.35 0.01 1 744 134 134 SER H H 8.684 0.01 1 745 134 134 SER HA H 4.335 0.01 1 746 134 134 SER C C 177.70 0.01 1 747 134 134 SER CA C 62.78 0.01 1 748 134 134 SER CB C 62.78 0.01 1 749 134 134 SER N N 115.87 0.01 1 750 135 135 ARG H H 8.077 0.01 1 751 135 135 ARG HA H 4.086 0.01 1 752 135 135 ARG C C 178.91 0.01 1 753 135 135 ARG CA C 59.72 0.01 1 754 135 135 ARG CB C 29.76 0.01 1 755 135 135 ARG N N 123.71 0.01 1 756 136 136 LEU H H 8.081 0.01 1 757 136 136 LEU HA H 3.984 0.01 1 758 136 136 LEU C C 178.13 0.01 1 759 136 136 LEU CA C 58.44 0.01 1 760 136 136 LEU CB C 41.53 0.01 1 761 136 136 LEU N N 122.34 0.01 1 762 137 137 TYR H H 9.114 0.01 1 763 137 137 TYR HA H 3.823 0.01 1 764 137 137 TYR C C 177.00 0.01 1 765 137 137 TYR CA C 62.99 0.01 1 766 137 137 TYR CB C 38.21 0.01 1 767 137 137 TYR N N 118.58 0.01 1 768 138 138 GLY H H 8.204 0.01 1 769 138 138 GLY HA2 H 3.768 0.01 2 770 138 138 GLY HA3 H 3.464 0.01 2 771 138 138 GLY C C 175.97 0.01 1 772 138 138 GLY CA C 47.28 0.01 1 773 138 138 GLY N N 104.64 0.01 1 774 139 139 ALA H H 7.731 0.01 1 775 139 139 ALA HA H 3.994 0.01 1 776 139 139 ALA C C 180.84 0.01 1 777 139 139 ALA CA C 55.28 0.01 1 778 139 139 ALA CB C 18.20 0.01 1 779 139 139 ALA N N 125.35 0.01 1 780 140 140 VAL H H 7.826 0.01 1 781 140 140 VAL HA H 3.384 0.01 1 782 140 140 VAL C C 177.80 0.01 1 783 140 140 VAL CA C 66.71 0.01 1 784 140 140 VAL CB C 31.15 0.01 1 785 140 140 VAL N N 121.84 0.01 1 786 141 141 VAL H H 8.237 0.01 1 787 141 141 VAL HA H 2.641 0.01 1 788 141 141 VAL C C 179.18 0.01 1 789 141 141 VAL CA C 66.49 0.01 1 790 141 141 VAL CB C 30.87 0.01 1 791 141 141 VAL N N 119.64 0.01 1 792 142 142 GLN H H 8.203 0.01 1 793 142 142 GLN HA H 3.726 0.01 1 794 142 142 GLN C C 178.50 0.01 1 795 142 142 GLN CA C 59.47 0.01 1 796 142 142 GLN CB C 28.24 0.01 1 797 142 142 GLN N N 121.58 0.01 1 798 143 143 ALA H H 7.334 0.01 1 799 143 143 ALA HA H 4.222 0.01 1 800 143 143 ALA C C 180.47 0.01 1 801 143 143 ALA CA C 55.38 0.01 1 802 143 143 ALA CB C 19.63 0.01 1 803 143 143 ALA N N 120.17 0.01 1 804 144 144 MET H H 8.607 0.01 1 805 144 144 MET HA H 4.735 0.01 1 806 144 144 MET C C 180.68 0.01 1 807 144 144 MET CA C 60.15 0.01 1 808 144 144 MET CB C 34.66 0.01 1 809 144 144 MET N N 116.32 0.01 1 810 145 145 SER H H 8.927 0.01 1 811 145 145 SER HA H 4.620 0.01 1 812 145 145 SER C C 176.60 0.01 1 813 145 145 SER CA C 62.69 0.01 1 814 145 145 SER CB C 62.69 0.01 1 815 145 145 SER N N 114.15 0.01 1 816 146 146 ARG H H 7.688 0.01 1 817 146 146 ARG HA H 4.506 0.01 1 818 146 146 ARG C C 179.46 0.01 1 819 146 146 ARG CA C 58.91 0.01 1 820 146 146 ARG CB C 30.23 0.01 1 821 146 146 ARG N N 123.57 0.01 1 822 147 147 GLY H H 9.191 0.01 1 823 147 147 GLY HA2 H 4.495 0.01 2 824 147 147 GLY HA3 H 4.327 0.01 2 825 147 147 GLY C C 173.71 0.01 1 826 147 147 GLY CA C 47.00 0.01 1 827 147 147 GLY N N 106.99 0.01 1 828 148 148 TRP H H 8.436 0.01 1 829 148 148 TRP HA H 4.699 0.01 1 830 148 148 TRP C C 176.28 0.01 1 831 148 148 TRP CA C 60.22 0.01 1 832 148 148 TRP CB C 30.94 0.01 1 833 148 148 TRP N N 122.00 0.01 1 834 149 149 ASP H H 7.886 0.01 1 835 149 149 ASP HA H 4.868 0.01 1 836 149 149 ASP C C 176.85 0.01 1 837 149 149 ASP CA C 55.12 0.01 1 838 149 149 ASP CB C 41.60 0.01 1 839 149 149 ASP N N 120.20 0.01 1 840 150 150 GLY H H 8.446 0.01 1 841 150 150 GLY HA2 H 4.196 0.01 2 842 150 150 GLY HA3 H 4.405 0.01 2 843 150 150 GLY C C 173.59 0.01 1 844 150 150 GLY CA C 45.61 0.01 1 845 150 150 GLY N N 109.42 0.01 1 846 151 151 GLU H H 8.172 0.01 1 847 151 151 GLU HA H 4.221 0.01 1 848 151 151 GLU C C 181.68 0.01 1 849 151 151 GLU CA C 58.45 0.01 1 850 151 151 GLU CB C 31.26 0.01 1 851 151 151 GLU N N 126.03 0.01 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'ngbkcn_formA corresponds to the minor form (30%, form A)' loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cyanometNgb _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 3 3 ARG H H 8.837 0.01 1 2 3 3 ARG N N 122.82 0.01 1 3 5 5 GLU HA H 3.932 0.01 1 4 5 5 GLU C C 178.03 0.01 1 5 5 5 GLU CA C 59.55 0.01 1 6 5 5 GLU CB C 29.43 0.01 1 7 6 6 SER H H 8.184 0.01 1 8 6 6 SER HA H 3.790 0.01 1 9 6 6 SER C C 176.41 0.01 1 10 6 6 SER CA C 61.98 0.01 1 11 6 6 SER CB C 61.98 0.01 1 12 6 6 SER N N 116.62 0.01 1 13 7 7 GLU H H 7.963 0.01 1 14 7 7 GLU HA H 4.163 0.01 1 15 7 7 GLU C C 178.90 0.01 1 16 7 7 GLU CA C 58.93 0.01 1 17 7 7 GLU CB C 29.47 0.01 1 18 7 7 GLU N N 121.44 0.01 1 19 8 8 LEU H H 7.481 0.01 1 20 8 8 LEU HA H 4.191 0.01 1 21 8 8 LEU C C 181.98 0.01 1 22 8 8 LEU CA C 57.62 0.01 1 23 8 8 LEU CB C 41.50 0.01 1 24 8 8 LEU N N 118.28 0.01 1 25 9 9 ILE H H 7.768 0.01 1 26 9 9 ILE HA H 3.402 0.01 1 27 9 9 ILE C C 177.20 0.01 1 28 9 9 ILE CA C 64.04 0.01 1 29 9 9 ILE CB C 36.89 0.01 1 30 9 9 ILE N N 121.69 0.01 1 31 10 10 ARG H H 8.329 0.01 1 32 10 10 ARG HA H 3.863 0.01 1 33 10 10 ARG C C 180.00 0.01 1 34 10 10 ARG CA C 61.19 0.01 1 35 10 10 ARG CB C 30.72 0.01 1 36 10 10 ARG N N 118.98 0.01 1 37 11 11 GLN H H 8.682 0.01 1 38 11 11 GLN HA H 4.145 0.01 1 39 11 11 GLN C C 178.83 0.01 1 40 11 11 GLN CA C 59.10 0.01 1 41 11 11 GLN CB C 28.49 0.01 1 42 11 11 GLN N N 116.65 0.01 1 43 12 12 SER H H 7.841 0.01 1 44 12 12 SER HA H 4.516 0.01 1 45 12 12 SER C C 176.77 0.01 1 46 12 12 SER CA C 60.82 0.01 1 47 12 12 SER CB C 64.21 0.01 1 48 12 12 SER N N 113.35 0.01 1 49 13 13 TRP H H 9.017 0.01 1 50 13 13 TRP HA H 4.830 0.01 1 51 13 13 TRP C C 177.75 0.01 1 52 13 13 TRP CA C 58.69 0.01 1 53 13 13 TRP CB C 31.50 0.01 1 54 13 13 TRP N N 123.29 0.01 1 55 14 14 ARG H H 7.857 0.01 1 56 14 14 ARG HA H 3.883 0.01 1 57 14 14 ARG C C 178.27 0.01 1 58 14 14 ARG CA C 59.64 0.01 1 59 14 14 ARG CB C 30.10 0.01 1 60 14 14 ARG N N 118.03 0.01 1 61 15 15 VAL H H 7.048 0.01 1 62 15 15 VAL HA H 3.573 0.01 1 63 15 15 VAL C C 178.51 0.01 1 64 15 15 VAL CA C 66.18 0.01 1 65 15 15 VAL CB C 32.02 0.01 1 66 15 15 VAL N N 116.76 0.01 1 67 16 16 VAL H H 6.800 0.01 1 68 16 16 VAL HA H 2.712 0.01 1 69 16 16 VAL C C 178.01 0.01 1 70 16 16 VAL CA C 64.65 0.01 1 71 16 16 VAL CB C 31.49 0.01 1 72 16 16 VAL N N 120.20 0.01 1 73 17 17 SER H H 8.065 0.01 1 74 17 17 SER HA H 3.388 0.01 1 75 17 17 SER C C 174.42 0.01 1 76 17 17 SER CA C 60.52 0.01 1 77 17 17 SER CB C 62.72 0.01 1 78 17 17 SER N N 111.74 0.01 1 79 18 18 ARG H H 6.946 0.01 1 80 18 18 ARG HA H 4.186 0.01 1 81 18 18 ARG C C 177.74 0.01 1 82 18 18 ARG CA C 58.30 0.01 1 83 18 18 ARG CB C 30.79 0.01 1 84 18 18 ARG N N 119.65 0.01 1 85 19 19 SER H H 7.541 0.01 1 86 19 19 SER HA H 4.849 0.01 1 87 19 19 SER CA C 55.24 0.01 1 88 19 19 SER CB C 62.85 0.01 1 89 19 19 SER N N 110.11 0.01 1 90 22 22 GLU HA H 4.092 0.01 1 91 22 22 GLU C C 180.02 0.01 1 92 22 22 GLU CA C 60.17 0.01 1 93 22 22 GLU CB C 29.08 0.01 1 94 23 23 HIS H H 7.698 0.01 1 95 23 23 HIS HA H 4.585 0.01 1 96 23 23 HIS C C 178.34 0.01 1 97 23 23 HIS CA C 60.78 0.01 1 98 23 23 HIS CB C 30.06 0.01 1 99 23 23 HIS N N 117.88 0.01 1 100 24 24 GLY H H 9.241 0.01 1 101 24 24 GLY HA2 H 4.600 0.01 2 102 24 24 GLY HA3 H 4.293 0.01 2 103 24 24 GLY C C 176.60 0.01 1 104 24 24 GLY CA C 48.53 0.01 1 105 24 24 GLY N N 110.22 0.01 1 106 25 25 THR H H 8.702 0.01 1 107 25 25 THR HA H 4.575 0.01 1 108 25 25 THR C C 176.26 0.01 1 109 25 25 THR CA C 67.90 0.01 1 110 25 25 THR CB C 69.32 0.01 1 111 25 25 THR N N 115.77 0.01 1 112 26 26 VAL H H 7.531 0.01 1 113 26 26 VAL HA H 3.989 0.01 1 114 26 26 VAL C C 178.80 0.01 1 115 26 26 VAL CA C 66.92 0.01 1 116 26 26 VAL CB C 31.70 0.01 1 117 26 26 VAL N N 123.46 0.01 1 118 27 27 LEU H H 7.958 0.01 1 119 27 27 LEU HA H 4.183 0.01 1 120 27 27 LEU C C 179.66 0.01 1 121 27 27 LEU CA C 60.79 0.01 1 122 27 27 LEU CB C 43.10 0.01 1 123 27 27 LEU N N 121.39 0.01 1 124 28 28 PHE H H 9.005 0.01 1 125 28 28 PHE HA H 4.716 0.01 1 126 28 28 PHE C C 177.11 0.01 1 127 28 28 PHE CA C 64.59 0.01 1 128 28 28 PHE CB C 40.39 0.01 1 129 28 28 PHE N N 117.31 0.01 1 130 29 29 ALA H H 9.239 0.01 1 131 29 29 ALA HA H 4.456 0.01 1 132 29 29 ALA C C 181.63 0.01 1 133 29 29 ALA CA C 55.85 0.01 1 134 29 29 ALA CB C 18.19 0.01 1 135 29 29 ALA N N 121.64 0.01 1 136 30 30 ARG H H 8.143 0.01 1 137 30 30 ARG HA H 4.077 0.01 1 138 30 30 ARG C C 177.07 0.01 1 139 30 30 ARG CA C 57.14 0.01 1 140 30 30 ARG CB C 29.72 0.01 1 141 30 30 ARG N N 119.62 0.01 1 142 31 31 LEU H H 8.496 0.01 1 143 31 31 LEU HA H 3.912 0.01 1 144 31 31 LEU C C 178.69 0.01 1 145 31 31 LEU CA C 59.17 0.01 1 146 31 31 LEU CB C 42.95 0.01 1 147 31 31 LEU N N 122.96 0.01 1 148 32 32 PHE H H 8.116 0.01 1 149 32 32 PHE HA H 4.753 0.01 1 150 32 32 PHE C C 177.80 0.01 1 151 32 32 PHE CA C 57.73 0.01 1 152 32 32 PHE CB C 38.39 0.01 1 153 32 32 PHE N N 112.98 0.01 1 154 33 33 ALA H H 7.762 0.01 1 155 33 33 ALA HA H 4.341 0.01 1 156 33 33 ALA C C 180.39 0.01 1 157 33 33 ALA CA C 54.39 0.01 1 158 33 33 ALA CB C 18.68 0.01 1 159 33 33 ALA N N 121.77 0.01 1 160 34 34 LEU H H 8.256 0.01 1 161 34 34 LEU HA H 4.122 0.01 1 162 34 34 LEU C C 178.70 0.01 1 163 34 34 LEU CA C 56.91 0.01 1 164 34 34 LEU CB C 43.48 0.01 1 165 34 34 LEU N N 118.72 0.01 1 166 35 35 GLU H H 8.459 0.01 1 167 35 35 GLU HA H 4.281 0.01 1 168 35 35 GLU C C 172.41 0.01 1 169 35 35 GLU CA C 54.13 0.01 1 170 35 35 GLU CB C 31.15 0.01 1 171 35 35 GLU N N 119.27 0.01 1 172 36 36 PRO HA H 4.685 0.01 1 173 36 36 PRO C C 179.80 0.01 1 174 36 36 PRO CA C 65.23 0.01 1 175 36 36 PRO CB C 31.80 0.01 1 176 37 37 SER H H 8.193 0.01 1 177 37 37 SER HA H 4.141 0.01 1 178 37 37 SER C C 175.25 0.01 1 179 37 37 SER CA C 60.34 0.01 1 180 37 37 SER CB C 62.36 0.01 1 181 37 37 SER N N 112.04 0.01 1 182 38 38 LEU H H 8.055 0.01 1 183 38 38 LEU HA H 4.156 0.01 1 184 38 38 LEU C C 177.87 0.01 1 185 38 38 LEU CA C 55.91 0.01 1 186 38 38 LEU CB C 41.86 0.01 1 187 38 38 LEU N N 120.42 0.01 1 188 39 39 LEU H H 7.384 0.01 1 189 39 39 LEU HA H 4.164 0.01 1 190 39 39 LEU C C 175.99 0.01 1 191 39 39 LEU CA C 59.98 0.01 1 192 39 39 LEU CB C 39.90 0.01 1 193 39 39 LEU N N 119.28 0.01 1 194 40 40 PRO HA H 4.323 0.01 1 195 40 40 PRO C C 176.58 0.01 1 196 40 40 PRO CA C 65.06 0.01 1 197 40 40 PRO CB C 31.51 0.01 1 198 41 41 LEU H H 7.198 0.01 1 199 41 41 LEU HA H 3.655 0.01 1 200 41 41 LEU C C 177.12 0.01 1 201 41 41 LEU CA C 56.63 0.01 1 202 41 41 LEU CB C 41.49 0.01 1 203 41 41 LEU N N 115.16 0.01 1 204 42 42 PHE H H 7.493 0.01 1 205 42 42 PHE HA H 4.152 0.01 1 206 42 42 PHE C C 174.03 0.01 1 207 42 42 PHE CA C 57.82 0.01 1 208 42 42 PHE CB C 39.04 0.01 1 209 42 42 PHE N N 117.11 0.01 1 210 43 43 GLN H H 7.629 0.01 1 211 43 43 GLN HA H 4.407 0.01 1 212 43 43 GLN C C 174.48 0.01 1 213 43 43 GLN CA C 54.52 0.01 1 214 43 43 GLN CB C 30.56 0.01 1 215 43 43 GLN N N 120.73 0.01 1 216 44 44 TYR H H 7.795 0.01 1 217 44 44 TYR HA H 4.541 0.01 1 218 44 44 TYR C C 174.47 0.01 1 219 44 44 TYR CA C 57.35 0.01 1 220 44 44 TYR CB C 40.24 0.01 1 221 44 44 TYR N N 120.48 0.01 1 222 45 45 ASN HA H 4.342 0.01 1 223 45 45 ASN C C 175.40 0.01 1 224 45 45 ASN CA C 54.14 0.01 1 225 45 45 ASN CB C 37.83 0.01 1 226 46 46 GLY H H 8.532 0.01 1 227 46 46 GLY HA2 H 3.992 0.01 2 228 46 46 GLY HA3 H 3.592 0.01 2 229 46 46 GLY C C 173.92 0.01 1 230 46 46 GLY CA C 45.74 0.01 1 231 46 46 GLY N N 104.56 0.01 1 232 47 47 ARG H H 7.610 0.01 1 233 47 47 ARG HA H 4.646 0.01 1 234 47 47 ARG C C 175.16 0.01 1 235 47 47 ARG CA C 55.25 0.01 1 236 47 47 ARG CB C 32.44 0.01 1 237 47 47 ARG N N 119.88 0.01 1 238 48 48 GLN H H 8.338 0.01 1 239 48 48 GLN HA H 4.303 0.01 1 240 48 48 GLN C C 176.44 0.01 1 241 48 48 GLN CA C 54.41 0.01 1 242 48 48 GLN CB C 30.76 0.01 1 243 48 48 GLN N N 121.72 0.01 1 244 49 49 PHE H H 9.351 0.01 1 245 49 49 PHE HA H 4.818 0.01 1 246 49 49 PHE C C 176.62 0.01 1 247 49 49 PHE CA C 57.53 0.01 1 248 49 49 PHE CB C 39.82 0.01 1 249 49 49 PHE N N 122.85 0.01 1 250 50 50 SER H H 9.615 0.01 1 251 50 50 SER HA H 4.407 0.01 1 252 50 50 SER C C 174.22 0.01 1 253 50 50 SER CA C 59.87 0.01 1 254 50 50 SER CB C 64.09 0.01 1 255 50 50 SER N N 117.06 0.01 1 256 51 51 SER H H 7.776 0.01 1 257 51 51 SER HA H 4.869 0.01 1 258 51 51 SER C C 173.21 0.01 1 259 51 51 SER CA C 56.33 0.01 1 260 51 51 SER CB C 64.22 0.01 1 261 51 51 SER N N 114.08 0.01 1 262 52 52 PRO HA H 4.057 0.01 1 263 52 52 PRO C C 178.77 0.01 1 264 52 52 PRO CA C 65.28 0.01 1 265 52 52 PRO CB C 32.24 0.01 1 266 53 53 GLU H H 9.066 0.01 1 267 53 53 GLU HA H 3.971 0.01 1 268 53 53 GLU C C 178.87 0.01 1 269 53 53 GLU CA C 60.78 0.01 1 270 53 53 GLU CB C 28.54 0.01 1 271 53 53 GLU N N 118.33 0.01 1 272 54 54 ASP H H 7.753 0.01 1 273 54 54 ASP HA H 4.424 0.01 1 274 54 54 ASP C C 178.69 0.01 1 275 54 54 ASP CA C 56.93 0.01 1 276 54 54 ASP CB C 41.78 0.01 1 277 54 54 ASP N N 119.76 0.01 1 278 55 55 SER H H 7.314 0.01 1 279 55 55 SER HA H 2.680 0.01 1 280 55 55 SER C C 175.94 0.01 1 281 55 55 SER CA C 62.11 0.01 1 282 55 55 SER CB C 62.50 0.01 1 283 55 55 SER N N 115.59 0.01 1 284 56 56 LEU H H 7.442 0.01 1 285 56 56 LEU HA H 4.348 0.01 1 286 56 56 LEU C C 176.58 0.01 1 287 56 56 LEU CA C 56.78 0.01 1 288 56 56 LEU CB C 41.15 0.01 1 289 56 56 LEU N N 118.60 0.01 1 290 57 57 SER H H 7.348 0.01 1 291 57 57 SER HA H 4.720 0.01 1 292 57 57 SER C C 174.58 0.01 1 293 57 57 SER CA C 57.59 0.01 1 294 57 57 SER CB C 64.57 0.01 1 295 57 57 SER N N 110.07 0.01 1 296 58 58 SER H H 7.589 0.01 1 297 58 58 SER HA H 5.037 0.01 1 298 58 58 SER C C 173.92 0.01 1 299 58 58 SER CA C 55.32 0.01 1 300 58 58 SER CB C 64.41 0.01 1 301 58 58 SER N N 119.80 0.01 1 302 59 59 PRO HA H 4.268 0.01 1 303 59 59 PRO C C 179.61 0.01 1 304 59 59 PRO CA C 65.34 0.01 1 305 59 59 PRO CB C 32.04 0.01 1 306 60 60 GLU H H 8.861 0.01 1 307 60 60 GLU HA H 3.913 0.01 1 308 60 60 GLU C C 179.38 0.01 1 309 60 60 GLU CA C 60.40 0.01 1 310 60 60 GLU CB C 28.46 0.01 1 311 60 60 GLU N N 117.89 0.01 1 312 61 61 PHE H H 8.072 0.01 1 313 61 61 PHE HA H 4.570 0.01 1 314 61 61 PHE C C 178.33 0.01 1 315 61 61 PHE CA C 61.17 0.01 1 316 61 61 PHE CB C 39.67 0.01 1 317 61 61 PHE N N 123.03 0.01 1 318 62 62 LEU H H 8.674 0.01 1 319 62 62 LEU HA H 4.146 0.01 1 320 62 62 LEU C C 179.68 0.01 1 321 62 62 LEU CA C 58.75 0.01 1 322 62 62 LEU CB C 40.68 0.01 1 323 62 62 LEU N N 120.09 0.01 1 324 63 63 ASP H H 7.668 0.01 1 325 63 63 ASP HA H 4.333 0.01 1 326 63 63 ASP C C 178.06 0.01 1 327 63 63 ASP CA C 57.40 0.01 1 328 63 63 ASP CB C 40.89 0.01 1 329 63 63 ASP N N 118.35 0.01 1 330 64 64 HIS H H 7.371 0.01 1 331 64 64 HIS HA H 3.423 0.01 1 332 64 64 HIS C C 176.60 0.01 1 333 64 64 HIS CA C 60.91 0.01 1 334 64 64 HIS CB C 29.38 0.01 1 335 64 64 HIS N N 120.12 0.01 1 336 65 65 ILE H H 8.521 0.01 1 337 65 65 ILE HA H 3.921 0.01 1 338 65 65 ILE C C 178.33 0.01 1 339 65 65 ILE CA C 67.06 0.01 1 340 65 65 ILE CB C 37.68 0.01 1 341 65 65 ILE N N 118.99 0.01 1 342 66 66 ARG H H 7.831 0.01 1 343 66 66 ARG HA H 3.675 0.01 1 344 66 66 ARG C C 178.82 0.01 1 345 66 66 ARG CA C 60.22 0.01 1 346 66 66 ARG CB C 30.01 0.01 1 347 66 66 ARG N N 118.00 0.01 1 348 67 67 LYS H H 7.210 0.01 1 349 67 67 LYS HA H 3.261 0.01 1 350 67 67 LYS C C 178.80 0.01 1 351 67 67 LYS CA C 59.59 0.01 1 352 67 67 LYS CB C 31.41 0.01 1 353 67 67 LYS N N 117.81 0.01 1 354 68 68 VAL H H 7.448 0.01 1 355 68 68 VAL HA H 1.364 0.01 1 356 68 68 VAL C C 178.48 0.01 1 357 68 68 VAL CA C 67.52 0.01 1 358 68 68 VAL CB C 31.79 0.01 1 359 68 68 VAL N N 120.96 0.01 1 360 69 69 MET H H 8.351 0.01 1 361 69 69 MET HA H 4.578 0.01 1 362 69 69 MET C C 179.97 0.01 1 363 69 69 MET CA C 57.08 0.01 1 364 69 69 MET CB C 30.24 0.01 1 365 69 69 MET N N 115.90 0.01 1 366 70 70 LEU H H 7.594 0.01 1 367 70 70 LEU HA H 4.130 0.01 1 368 70 70 LEU C C 180.14 0.01 1 369 70 70 LEU CA C 57.65 0.01 1 370 70 70 LEU CB C 41.81 0.01 1 371 70 70 LEU N N 120.91 0.01 1 372 71 71 VAL H H 7.121 0.01 1 373 71 71 VAL HA H 3.365 0.01 1 374 71 71 VAL C C 177.46 0.01 1 375 71 71 VAL CA C 66.48 0.01 1 376 71 71 VAL CB C 30.28 0.01 1 377 71 71 VAL N N 122.54 0.01 1 378 72 72 ILE H H 7.402 0.01 1 379 72 72 ILE HA H 4.350 0.01 1 380 72 72 ILE C C 177.35 0.01 1 381 72 72 ILE CA C 65.37 0.01 1 382 72 72 ILE CB C 35.84 0.01 1 383 72 72 ILE N N 118.74 0.01 1 384 73 73 ASP H H 8.287 0.01 1 385 73 73 ASP HA H 3.995 0.01 1 386 73 73 ASP C C 178.14 0.01 1 387 73 73 ASP CA C 58.12 0.01 1 388 73 73 ASP CB C 43.59 0.01 1 389 73 73 ASP N N 118.57 0.01 1 390 74 74 ALA H H 7.764 0.01 1 391 74 74 ALA HA H 3.973 0.01 1 392 74 74 ALA C C 180.25 0.01 1 393 74 74 ALA CA C 55.19 0.01 1 394 74 74 ALA CB C 17.33 0.01 1 395 74 74 ALA N N 122.59 0.01 1 396 75 75 ALA H H 7.995 0.01 1 397 75 75 ALA HA H 3.619 0.01 1 398 75 75 ALA C C 177.48 0.01 1 399 75 75 ALA CA C 55.24 0.01 1 400 75 75 ALA CB C 16.44 0.01 1 401 75 75 ALA N N 123.70 0.01 1 402 76 76 VAL H H 7.903 0.01 1 403 76 76 VAL HA H 2.912 0.01 1 404 76 76 VAL C C 179.99 0.01 1 405 76 76 VAL CA C 66.82 0.01 1 406 76 76 VAL CB C 31.07 0.01 1 407 76 76 VAL N N 116.35 0.01 1 408 77 77 THR H H 8.480 0.01 1 409 77 77 THR HA H 3.785 0.01 1 410 77 77 THR C C 175.25 0.01 1 411 77 77 THR CA C 66.55 0.01 1 412 77 77 THR CB C 68.94 0.01 1 413 77 77 THR N N 116.75 0.01 1 414 78 78 ASN H H 7.370 0.01 1 415 78 78 ASN HA H 4.800 0.01 1 416 78 78 ASN C C 175.08 0.01 1 417 78 78 ASN CA C 53.76 0.01 1 418 78 78 ASN CB C 39.26 0.01 1 419 78 78 ASN N N 117.74 0.01 1 420 79 79 VAL H H 6.907 0.01 1 421 79 79 VAL HA H 3.599 0.01 1 422 79 79 VAL C C 174.91 0.01 1 423 79 79 VAL CA C 65.46 0.01 1 424 79 79 VAL CB C 31.06 0.01 1 425 79 79 VAL N N 120.46 0.01 1 426 80 80 GLU H H 8.116 0.01 1 427 80 80 GLU HA H 4.124 0.01 1 428 80 80 GLU C C 177.15 0.01 1 429 80 80 GLU CA C 58.14 0.01 1 430 80 80 GLU CB C 29.56 0.01 1 431 80 80 GLU N N 117.41 0.01 1 432 81 81 ASP H H 7.933 0.01 1 433 81 81 ASP HA H 4.663 0.01 1 434 81 81 ASP C C 176.08 0.01 1 435 81 81 ASP CA C 54.16 0.01 1 436 81 81 ASP CB C 40.22 0.01 1 437 81 81 ASP N N 116.80 0.01 1 438 82 82 LEU H H 8.930 0.01 1 439 82 82 LEU HA H 4.045 0.01 1 440 82 82 LEU C C 179.55 0.01 1 441 82 82 LEU CA C 56.64 0.01 1 442 82 82 LEU CB C 42.08 0.01 1 443 82 82 LEU N N 127.53 0.01 1 444 83 83 SER H H 8.481 0.01 1 445 83 83 SER HA H 4.197 0.01 1 446 83 83 SER C C 177.44 0.01 1 447 83 83 SER CA C 62.35 0.01 1 448 83 83 SER CB C 62.35 0.01 1 449 83 83 SER N N 117.39 0.01 1 450 84 84 SER H H 7.933 0.01 1 451 84 84 SER HA H 4.309 0.01 1 452 84 84 SER C C 175.42 0.01 1 453 84 84 SER CA C 60.84 0.01 1 454 84 84 SER CB C 63.09 0.01 1 455 84 84 SER N N 117.60 0.01 1 456 85 85 LEU H H 7.848 0.01 1 457 85 85 LEU HA H 4.627 0.01 1 458 85 85 LEU C C 177.00 0.01 1 459 85 85 LEU CA C 54.10 0.01 1 460 85 85 LEU CB C 43.84 0.01 1 461 85 85 LEU N N 120.51 0.01 1 462 86 86 GLU H H 7.546 0.01 1 463 86 86 GLU HA H 3.877 0.01 1 464 86 86 GLU C C 178.48 0.01 1 465 86 86 GLU CA C 61.75 0.01 1 466 86 86 GLU CB C 30.29 0.01 1 467 86 86 GLU N N 121.29 0.01 1 468 87 87 GLU H H 8.961 0.01 1 469 87 87 GLU HA H 4.195 0.01 1 470 87 87 GLU C C 179.42 0.01 1 471 87 87 GLU CA C 60.39 0.01 1 472 87 87 GLU CB C 29.05 0.01 1 473 87 87 GLU N N 120.92 0.01 1 474 88 88 TYR H H 8.566 0.01 1 475 88 88 TYR HA H 4.384 0.01 1 476 88 88 TYR C C 178.70 0.01 1 477 88 88 TYR CA C 61.50 0.01 1 478 88 88 TYR CB C 38.31 0.01 1 479 88 88 TYR N N 122.20 0.01 1 480 89 89 LEU H H 9.111 0.01 1 481 89 89 LEU HA H 4.137 0.01 1 482 89 89 LEU C C 180.21 0.01 1 483 89 89 LEU CA C 58.28 0.01 1 484 89 89 LEU CB C 41.88 0.01 1 485 89 89 LEU N N 119.10 0.01 1 486 90 90 THR H H 9.084 0.01 1 487 90 90 THR HA H 4.539 0.01 1 488 90 90 THR C C 177.46 0.01 1 489 90 90 THR CA C 68.40 0.01 1 490 90 90 THR CB C 68.70 0.01 1 491 90 90 THR N N 119.29 0.01 1 492 91 91 SER H H 8.372 0.01 1 493 91 91 SER HA H 4.606 0.01 1 494 91 91 SER C C 178.22 0.01 1 495 91 91 SER CA C 62.84 0.01 1 496 91 91 SER CB C 62.84 0.01 1 497 91 91 SER N N 119.23 0.01 1 498 92 92 LEU H H 9.144 0.01 1 499 92 92 LEU HA H 5.661 0.01 1 500 92 92 LEU C C 184.82 0.01 1 501 92 92 LEU CA C 58.92 0.01 1 502 92 92 LEU CB C 43.47 0.01 1 503 92 92 LEU N N 125.47 0.01 1 504 93 93 GLY H H 10.620 0.01 1 505 93 93 GLY HA2 H 6.481 0.01 2 506 93 93 GLY HA3 H 6.481 0.01 2 507 93 93 GLY C C 176.66 0.01 1 508 93 93 GLY CA C 50.60 0.01 1 509 93 93 GLY N N 116.42 0.01 1 510 94 94 ARG H H 9.575 0.01 1 511 94 94 ARG HA H 4.699 0.01 1 512 94 94 ARG C C 180.61 0.01 1 513 94 94 ARG CA C 61.36 0.01 1 514 94 94 ARG CB C 30.38 0.01 1 515 94 94 ARG N N 124.51 0.01 1 516 95 95 LYS H H 9.322 0.01 1 517 95 95 LYS HA H 5.198 0.01 1 518 95 95 LYS C C 180.84 0.01 1 519 95 95 LYS CA C 60.88 0.01 1 520 95 95 LYS CB C 33.58 0.01 1 521 95 95 LYS N N 120.93 0.01 1 522 96 96 HIS H H 11.304 0.01 1 523 96 96 HIS C C 178.31 0.01 1 524 96 96 HIS CA C 71.15 0.01 1 525 96 96 HIS CB C 27.48 0.01 1 526 96 96 HIS N N 120.04 0.01 1 527 97 97 ARG H H 9.529 0.01 1 528 97 97 ARG HA H 4.693 0.01 1 529 97 97 ARG C C 180.74 0.01 1 530 97 97 ARG CA C 60.15 0.01 1 531 97 97 ARG CB C 29.21 0.01 1 532 97 97 ARG N N 124.19 0.01 1 533 98 98 ALA H H 8.632 0.01 1 534 98 98 ALA HA H 4.445 0.01 1 535 98 98 ALA C C 179.76 0.01 1 536 98 98 ALA CA C 55.42 0.01 1 537 98 98 ALA CB C 18.87 0.01 1 538 98 98 ALA N N 121.41 0.01 1 539 99 99 VAL H H 7.937 0.01 1 540 99 99 VAL HA H 4.533 0.01 1 541 99 99 VAL C C 175.86 0.01 1 542 99 99 VAL CA C 61.91 0.01 1 543 99 99 VAL CB C 31.69 0.01 1 544 99 99 VAL N N 111.06 0.01 1 545 100 100 GLY H H 7.697 0.01 1 546 100 100 GLY HA2 H 4.105 0.01 2 547 100 100 GLY HA3 H 3.669 0.01 2 548 100 100 GLY C C 174.77 0.01 1 549 100 100 GLY CA C 45.45 0.01 1 550 100 100 GLY N N 106.26 0.01 1 551 101 101 VAL H H 7.400 0.01 1 552 101 101 VAL HA H 2.766 0.01 1 553 101 101 VAL C C 175.24 0.01 1 554 101 101 VAL CA C 63.06 0.01 1 555 101 101 VAL CB C 31.14 0.01 1 556 101 101 VAL N N 120.67 0.01 1 557 102 102 ARG H H 8.474 0.01 1 558 102 102 ARG HA H 4.412 0.01 1 559 102 102 ARG C C 176.75 0.01 1 560 102 102 ARG CA C 54.27 0.01 1 561 102 102 ARG CB C 31.10 0.01 1 562 102 102 ARG N N 126.96 0.01 1 563 103 103 LEU H H 8.233 0.01 1 564 103 103 LEU HA H 3.206 0.01 1 565 103 103 LEU C C 180.22 0.01 1 566 103 103 LEU CA C 57.20 0.01 1 567 103 103 LEU CB C 41.86 0.01 1 568 103 103 LEU N N 121.90 0.01 1 569 104 104 SER H H 7.936 0.01 1 570 104 104 SER HA H 3.905 0.01 1 571 104 104 SER C C 176.76 0.01 1 572 104 104 SER CA C 60.40 0.01 1 573 104 104 SER CB C 62.00 0.01 1 574 104 104 SER N N 112.29 0.01 1 575 105 105 SER H H 7.254 0.01 1 576 105 105 SER HA H 4.258 0.01 1 577 105 105 SER C C 174.88 0.01 1 578 105 105 SER CA C 60.79 0.01 1 579 105 105 SER CB C 62.10 0.01 1 580 105 105 SER N N 117.31 0.01 1 581 106 106 PHE H H 7.478 0.01 1 582 106 106 PHE HA H 3.291 0.01 1 583 106 106 PHE C C 180.77 0.01 1 584 106 106 PHE CA C 62.68 0.01 1 585 106 106 PHE CB C 37.67 0.01 1 586 106 106 PHE N N 118.52 0.01 1 587 107 107 SER HA H 3.869 0.01 1 588 107 107 SER C C 176.06 0.01 1 589 107 107 SER CA C 62.38 0.01 1 590 107 107 SER CB C 62.38 0.01 1 591 108 108 THR H H 6.940 0.01 1 592 108 108 THR HA H 3.766 0.01 1 593 108 108 THR C C 177.99 0.01 1 594 108 108 THR CA C 65.28 0.01 1 595 108 108 THR CB C 67.69 0.01 1 596 108 108 THR N N 119.52 0.01 1 597 109 109 VAL H H 6.842 0.01 1 598 109 109 VAL HA H 3.353 0.01 1 599 109 109 VAL C C 176.83 0.01 1 600 109 109 VAL CA C 67.36 0.01 1 601 109 109 VAL CB C 30.87 0.01 1 602 109 109 VAL N N 122.57 0.01 1 603 110 110 GLY H H 7.294 0.01 1 604 110 110 GLY HA2 H 3.212 0.01 2 605 110 110 GLY HA3 H 2.273 0.01 2 606 110 110 GLY C C 175.56 0.01 1 607 110 110 GLY CA C 47.63 0.01 1 608 110 110 GLY N N 108.43 0.01 1 609 111 111 GLU H H 7.789 0.01 1 610 111 111 GLU HA H 3.910 0.01 1 611 111 111 GLU C C 180.28 0.01 1 612 111 111 GLU CA C 59.33 0.01 1 613 111 111 GLU CB C 29.34 0.01 1 614 111 111 GLU N N 119.76 0.01 1 615 112 112 SER H H 7.726 0.01 1 616 112 112 SER HA H 4.128 0.01 1 617 112 112 SER C C 175.29 0.01 1 618 112 112 SER CA C 63.02 0.01 1 619 112 112 SER CB C 63.02 0.01 1 620 112 112 SER N N 118.38 0.01 1 621 113 113 LEU H H 8.533 0.01 1 622 113 113 LEU HA H 4.409 0.01 1 623 113 113 LEU C C 177.96 0.01 1 624 113 113 LEU CA C 58.79 0.01 1 625 113 113 LEU CB C 41.80 0.01 1 626 113 113 LEU N N 125.47 0.01 1 627 114 114 LEU H H 7.962 0.01 1 628 114 114 LEU HA H 3.869 0.01 1 629 114 114 LEU C C 178.88 0.01 1 630 114 114 LEU CA C 58.51 0.01 1 631 114 114 LEU CB C 40.85 0.01 1 632 114 114 LEU N N 117.51 0.01 1 633 115 115 TYR H H 8.110 0.01 1 634 115 115 TYR HA H 4.118 0.01 1 635 115 115 TYR C C 176.60 0.01 1 636 115 115 TYR CA C 61.78 0.01 1 637 115 115 TYR CB C 38.77 0.01 1 638 115 115 TYR N N 121.04 0.01 1 639 116 116 MET H H 8.310 0.01 1 640 116 116 MET HA H 3.802 0.01 1 641 116 116 MET C C 179.05 0.01 1 642 116 116 MET CA C 59.40 0.01 1 643 116 116 MET CB C 31.92 0.01 1 644 116 116 MET N N 119.98 0.01 1 645 117 117 LEU H H 8.007 0.01 1 646 117 117 LEU HA H 3.478 0.01 1 647 117 117 LEU C C 177.56 0.01 1 648 117 117 LEU CA C 57.89 0.01 1 649 117 117 LEU CB C 42.13 0.01 1 650 117 117 LEU N N 121.82 0.01 1 651 118 118 GLU H H 7.926 0.01 1 652 118 118 GLU HA H 3.253 0.01 1 653 118 118 GLU C C 179.83 0.01 1 654 118 118 GLU CA C 59.92 0.01 1 655 118 118 GLU CB C 29.32 0.01 1 656 118 118 GLU N N 121.35 0.01 1 657 119 119 LYS H H 8.095 0.01 1 658 119 119 LYS HA H 3.885 0.01 1 659 119 119 LYS C C 178.82 0.01 1 660 119 119 LYS CA C 57.61 0.01 1 661 119 119 LYS CB C 31.46 0.01 1 662 119 119 LYS N N 118.35 0.01 1 663 120 120 SER H H 7.729 0.01 1 664 120 120 SER HA H 4.238 0.01 1 665 120 120 SER C C 176.27 0.01 1 666 120 120 SER CA C 60.52 0.01 1 667 120 120 SER CB C 63.56 0.01 1 668 120 120 SER N N 112.47 0.01 1 669 121 121 LEU H H 8.126 0.01 1 670 121 121 LEU HA H 4.414 0.01 1 671 121 121 LEU C C 179.32 0.01 1 672 121 121 LEU CA C 55.71 0.01 1 673 121 121 LEU CB C 44.31 0.01 1 674 121 121 LEU N N 118.80 0.01 1 675 122 122 GLY H H 8.218 0.01 1 676 122 122 GLY HA2 H 4.196 0.01 2 677 122 122 GLY HA3 H 3.784 0.01 2 678 122 122 GLY C C 174.95 0.01 1 679 122 122 GLY CA C 45.62 0.01 1 680 122 122 GLY N N 111.97 0.01 1 681 123 123 PRO HA H 4.440 0.01 1 682 123 123 PRO C C 177.28 0.01 1 683 123 123 PRO CA C 64.29 0.01 1 684 123 123 PRO CB C 32.03 0.01 1 685 124 124 ASP H H 7.617 0.01 1 686 124 124 ASP HA H 4.796 0.01 1 687 124 124 ASP C C 176.87 0.01 1 688 124 124 ASP CA C 55.60 0.01 1 689 124 124 ASP CB C 40.49 0.01 1 690 124 124 ASP N N 116.28 0.01 1 691 125 125 PHE H H 8.482 0.01 1 692 125 125 PHE HA H 4.816 0.01 1 693 125 125 PHE C C 173.80 0.01 1 694 125 125 PHE CA C 56.41 0.01 1 695 125 125 PHE CB C 36.97 0.01 1 696 125 125 PHE N N 125.68 0.01 1 697 126 126 THR H H 7.257 0.01 1 698 126 126 THR HA H 4.618 0.01 1 699 126 126 THR C C 173.12 0.01 1 700 126 126 THR CA C 60.23 0.01 1 701 126 126 THR CB C 68.81 0.01 1 702 126 126 THR N N 114.29 0.01 1 703 127 127 PRO HA H 4.137 0.01 1 704 127 127 PRO C C 179.07 0.01 1 705 127 127 PRO CA C 66.28 0.01 1 706 127 127 PRO CB C 31.58 0.01 1 707 128 128 ALA H H 8.283 0.01 1 708 128 128 ALA HA H 4.109 0.01 1 709 128 128 ALA C C 180.77 0.01 1 710 128 128 ALA CA C 55.22 0.01 1 711 128 128 ALA CB C 18.61 0.01 1 712 128 128 ALA N N 118.32 0.01 1 713 129 129 THR H H 7.821 0.01 1 714 129 129 THR HA H 3.793 0.01 1 715 129 129 THR C C 175.49 0.01 1 716 129 129 THR CA C 68.00 0.01 1 717 129 129 THR CB C 68.00 0.01 1 718 129 129 THR N N 119.26 0.01 1 719 130 130 ARG H H 8.089 0.01 1 720 130 130 ARG HA H 3.691 0.01 1 721 130 130 ARG C C 178.72 0.01 1 722 130 130 ARG CA C 60.20 0.01 1 723 130 130 ARG CB C 29.74 0.01 1 724 130 130 ARG N N 123.77 0.01 1 725 131 131 THR H H 8.527 0.01 1 726 131 131 THR HA H 3.841 0.01 1 727 131 131 THR C C 176.21 0.01 1 728 131 131 THR CA C 66.92 0.01 1 729 131 131 THR CB C 68.84 0.01 1 730 131 131 THR N N 117.61 0.01 1 731 132 132 ALA H H 7.925 0.01 1 732 132 132 ALA HA H 4.016 0.01 1 733 132 132 ALA C C 179.92 0.01 1 734 132 132 ALA CA C 55.87 0.01 1 735 132 132 ALA CB C 18.15 0.01 1 736 132 132 ALA N N 124.39 0.01 1 737 133 133 TRP H H 8.362 0.01 1 738 133 133 TRP HA H 4.040 0.01 1 739 133 133 TRP C C 178.95 0.01 1 740 133 133 TRP CA C 62.24 0.01 1 741 133 133 TRP CB C 29.44 0.01 1 742 133 133 TRP N N 118.35 0.01 1 743 134 134 SER H H 8.684 0.01 1 744 134 134 SER HA H 4.335 0.01 1 745 134 134 SER C C 177.70 0.01 1 746 134 134 SER CA C 62.78 0.01 1 747 134 134 SER CB C 62.78 0.01 1 748 134 134 SER N N 115.87 0.01 1 749 135 135 ARG H H 8.077 0.01 1 750 135 135 ARG HA H 4.086 0.01 1 751 135 135 ARG C C 178.91 0.01 1 752 135 135 ARG CA C 59.72 0.01 1 753 135 135 ARG CB C 29.76 0.01 1 754 135 135 ARG N N 123.71 0.01 1 755 136 136 LEU H H 8.081 0.01 1 756 136 136 LEU HA H 3.981 0.01 1 757 136 136 LEU C C 178.00 0.01 1 758 136 136 LEU CA C 58.40 0.01 1 759 136 136 LEU CB C 41.56 0.01 1 760 136 136 LEU N N 122.34 0.01 1 761 137 137 TYR H H 9.100 0.01 1 762 137 137 TYR HA H 3.674 0.01 1 763 137 137 TYR C C 177.11 0.01 1 764 137 137 TYR CA C 63.58 0.01 1 765 137 137 TYR CB C 38.71 0.01 1 766 137 137 TYR N N 118.85 0.01 1 767 138 138 GLY H H 8.155 0.01 1 768 138 138 GLY HA2 H 3.779 0.01 2 769 138 138 GLY HA3 H 3.528 0.01 2 770 138 138 GLY C C 176.03 0.01 1 771 138 138 GLY CA C 47.31 0.01 1 772 138 138 GLY N N 103.88 0.01 1 773 139 139 ALA H H 7.853 0.01 1 774 139 139 ALA HA H 3.995 0.01 1 775 139 139 ALA C C 180.91 0.01 1 776 139 139 ALA CA C 55.33 0.01 1 777 139 139 ALA CB C 18.18 0.01 1 778 139 139 ALA N N 125.47 0.01 1 779 140 140 VAL H H 7.952 0.01 1 780 140 140 VAL HA H 3.380 0.01 1 781 140 140 VAL C C 177.84 0.01 1 782 140 140 VAL CA C 66.70 0.01 1 783 140 140 VAL CB C 31.13 0.01 1 784 140 140 VAL N N 121.69 0.01 1 785 141 141 VAL H H 8.133 0.01 1 786 141 141 VAL HA H 2.807 0.01 1 787 141 141 VAL C C 178.93 0.01 1 788 141 141 VAL CA C 66.63 0.01 1 789 141 141 VAL N N 119.68 0.01 1 790 142 142 GLN H H 8.324 0.01 1 791 142 142 GLN HA H 3.753 0.01 1 792 142 142 GLN C C 178.89 0.01 1 793 142 142 GLN CA C 59.49 0.01 1 794 142 142 GLN CB C 28.29 0.01 1 795 142 142 GLN N N 121.31 0.01 1 796 143 143 ALA H H 7.416 0.01 1 797 143 143 ALA HA H 4.223 0.01 1 798 143 143 ALA C C 180.45 0.01 1 799 143 143 ALA CA C 55.47 0.01 1 800 143 143 ALA CB C 19.36 0.01 1 801 143 143 ALA N N 121.09 0.01 1 802 144 144 MET H H 8.409 0.01 1 803 144 144 MET HA H 4.773 0.01 1 804 144 144 MET C C 180.35 0.01 1 805 144 144 MET CA C 59.91 0.01 1 806 144 144 MET CB C 34.45 0.01 1 807 144 144 MET N N 116.43 0.01 1 808 145 145 SER H H 8.861 0.01 1 809 145 145 SER HA H 4.549 0.01 1 810 145 145 SER C C 176.44 0.01 1 811 145 145 SER CA C 61.67 0.01 1 812 145 145 SER CB C 62.93 0.01 1 813 145 145 SER N N 114.25 0.01 1 814 146 146 ARG H H 7.740 0.01 1 815 146 146 ARG HA H 4.503 0.01 1 816 146 146 ARG C C 179.40 0.01 1 817 146 146 ARG CA C 58.96 0.01 1 818 146 146 ARG CB C 30.23 0.01 1 819 146 146 ARG N N 124.08 0.01 1 820 147 147 GLY H H 9.226 0.01 1 821 147 147 GLY HA2 H 4.498 0.01 2 822 147 147 GLY HA3 H 4.328 0.01 2 823 147 147 GLY C C 173.74 0.01 1 824 147 147 GLY CA C 47.00 0.01 1 825 147 147 GLY N N 107.61 0.01 1 826 148 148 TRP H H 8.436 0.01 1 827 148 148 TRP HA H 4.715 0.01 1 828 148 148 TRP C C 176.28 0.01 1 829 148 148 TRP CA C 60.13 0.01 1 830 148 148 TRP CB C 30.79 0.01 1 831 148 148 TRP N N 122.12 0.01 1 832 149 149 ASP H H 7.994 0.01 1 833 149 149 ASP HA H 4.886 0.01 1 834 149 149 ASP C C 176.84 0.01 1 835 149 149 ASP CA C 55.10 0.01 1 836 149 149 ASP CB C 41.60 0.01 1 837 149 149 ASP N N 120.31 0.01 1 838 150 150 GLY H H 8.391 0.01 1 839 150 150 GLY HA2 H 4.265 0.01 2 840 150 150 GLY HA3 H 4.085 0.01 2 841 150 150 GLY C C 173.78 0.01 1 842 150 150 GLY CA C 45.66 0.01 1 843 150 150 GLY N N 109.33 0.01 1 844 151 151 GLU H H 8.220 0.01 1 845 151 151 GLU HA H 4.260 0.01 1 846 151 151 GLU C C 181.72 0.01 1 847 151 151 GLU CA C 58.55 0.01 1 848 151 151 GLU CB C 31.36 0.01 1 849 151 151 GLU N N 126.16 0.01 1 stop_ save_