data_17447 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17447 _Entry.Title ; 1H, 15N and 13C resonance assignment of a common Major Urinary Protein of the mouse ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-07 _Entry.Accession_date 2011-02-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marie Phelan . M. . 17447 2 Lynn McLean . . . 17447 3 Deborah Simpson . . . 17447 4 Jane Hurst . L. . 17447 5 Robert Beynon . J. . 17447 6 Lu-Yun Lian . . . 17447 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17447 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'NMR Centre for Structural Biology' . 17447 2 . 'Proteomics & Functional Genomics Group' . 17447 3 . 'Mammalian Behaviour & Evolution Group' . 17447 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17447 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 714 17447 '15N chemical shifts' 170 17447 '1H chemical shifts' 1074 17447 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-07-14 2011-02-07 update BMRB 'update entry citation' 17447 1 . . 2012-08-30 2011-02-07 original author 'original release' 17447 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17447 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-010-9253-6 _Citation.PubMed_ID 20703836 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C resonance assignment of darcin, a mouse major urinary protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 239 _Citation.Page_last 241 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marie Phelan M. M. . 17447 1 2 Lynn McLean L. . . 17447 1 3 Deborah Simpson D. M. . 17447 1 4 Jane Hurst J. L. . 17447 1 5 Robert Beynon R. J. . 17447 1 6 Lu-Yun Lian L. Y. . 17447 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 18694Da 17447 1 lipocalin 17447 1 'Major urinary protein (MUP)' 17447 1 MUP11 17447 1 MUP15 17447 1 MUP18 17447 1 MUP18694 17447 1 MUP19 17447 1 MUP9 17447 1 NMR 17447 1 'Resonance Assignment' 17447 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17447 _Assembly.ID 1 _Assembly.Name MUP11 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20336.5 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MUP11 1 $MUP11 A . yes native no no . . . 17447 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 171 171 SG . . 83 CYS SG . . 176 CYS SG 17447 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MUP11 _Entity.Sf_category entity _Entity.Sf_framecode MUP11 _Entity.Entry_ID 17447 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MUP11 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHIEGREEASST GRNFNVEKINGEWHTIILAS DKREKIEDNGNFRLFLEQIH VLENSLVLKFHTVRDEECSE LSMVADKTEKAGEYSVTYDG FNTFTIPKTDYDNFLMAHLI NEKDGETFQLMGLYGREPDL SSDIKERFAQLCEEHGILRE NIIDLSNANRCLQARE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 6 M 7 G ..... 179 A 180 R 181 E ; _Entity.Polymer_author_seq_details ; residues 20 to 181 correspond to the native MUP residues 6 to 19 correspond to the cloning and purification tag ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20336.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9CXU6 . Mup11 . . . . . . . . . . . . . . 17447 1 2 yes MGI 3709617 . Mup11 . . . . . . . . . . . . . . 17447 1 3 no BMRB 4340 . "Mouse major urinary protein" . . . . . 92.05 162 99.38 99.38 1.85e-113 . . . . 17447 1 4 no PDB 1DF3 . "Solution Structure Of A Recombinant Mouse Major Urinary Protein" . . . . . 92.05 162 99.38 99.38 1.85e-113 . . . . 17447 1 5 no PDB 1I04 . "Crystal Structure Of Mouse Major Urinary Protein-I From Mouse Liver" . . . . . 92.05 180 100.00 100.00 6.31e-114 . . . . 17447 1 6 no PDB 1I05 . "Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Hydroxy-Methyl-Heptanone" . . . . . 92.05 180 100.00 100.00 6.31e-114 . . . . 17447 1 7 no PDB 1I06 . "Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Sec-Butyl-Thiazoline" . . . . . 92.05 180 100.00 100.00 6.31e-114 . . . . 17447 1 8 no PDB 1JV4 . "Crystal Structure Of Recombinant Major Mouse Urinary Protein (Rmup) At 1.75 A Resolution" . . . . . 92.05 162 99.38 99.38 1.85e-113 . . . . 17447 1 9 no PDB 1MUP . "Pheromone Binding To Two Rodent Urinary Proteins Revealed By X-Ray Crystallography" . . . . . 92.05 166 100.00 100.00 5.60e-114 . . . . 17447 1 10 no PDB 2LB6 . "Structure Of 18694da Mup, Typical To The Major Urinary Protein Family: Mup9, Mup11, Mup15, Mup18 & Mup19" . . . . . 100.00 176 100.00 100.00 8.98e-126 . . . . 17447 1 11 no DBJ BAB28753 . "unnamed protein product [Mus musculus]" . . . . . 92.05 180 100.00 100.00 6.31e-114 . . . . 17447 1 12 no DBJ BAB29093 . "unnamed protein product [Mus musculus]" . . . . . 92.05 181 98.77 100.00 4.72e-113 . . . . 17447 1 13 no EMBL CAA26953 . "major urinary protein [Mus musculus]" . . . . . 92.05 180 99.38 99.38 3.51e-113 . . . . 17447 1 14 no EMBL CAA27227 . "MUP [Mus musculus]" . . . . . 85.23 151 100.00 100.00 4.84e-105 . . . . 17447 1 15 no EMBL CAA27729 . "MUP [Mus musculus]" . . . . . 77.27 136 97.79 98.53 1.32e-91 . . . . 17447 1 16 no EMBL CAC34259 . "Major Urinary Protein [Mus musculus]" . . . . . 92.05 180 99.38 99.38 3.15e-113 . . . . 17447 1 17 no EMBL CAQ11104 . "novel member of the major urinary protein (Mup) gene family [Mus musculus]" . . . . . 92.05 180 98.15 98.15 3.16e-111 . . . . 17447 1 18 no GB AAA39764 . "major urinary protein [Mus musculus]" . . . . . 92.05 178 98.15 98.77 1.53e-111 . . . . 17447 1 19 no GB AAA39765 . "major urinary protein, partial [Mus musculus]" . . . . . 85.23 151 100.00 100.00 4.84e-105 . . . . 17447 1 20 no GB AAA39767 . "major urinary protein I [Mus musculus domesticus]" . . . . . 92.05 180 99.38 100.00 1.82e-113 . . . . 17447 1 21 no GB AAA39768 . "major urinary protein II [Mus musculus domesticus]" . . . . . 92.05 180 98.77 99.38 1.39e-112 . . . . 17447 1 22 no GB AAB47130 . "uMUP-VIII=18.695 kda major urinary protein [mice, Balb/c, urine, Peptide, 162 aa]" . . . . . 92.05 162 100.00 100.00 3.37e-114 . . . . 17447 1 23 no REF NP_001039015 . "major urinary protein 2 isoform 1 precursor [Mus musculus]" . . . . . 92.05 180 99.38 100.00 1.11e-113 . . . . 17447 1 24 no REF NP_001116119 . "major urinary protein 10 precursor [Mus musculus]" . . . . . 92.05 180 99.38 99.38 2.73e-113 . . . . 17447 1 25 no REF NP_001128116 . "major urinary protein LOC100048885 precursor [Mus musculus]" . . . . . 92.05 180 98.15 98.15 3.16e-111 . . . . 17447 1 26 no REF NP_001128146 . "major urinary protein 13 precursor [Mus musculus]" . . . . . 87.50 235 97.40 99.35 3.44e-103 . . . . 17447 1 27 no REF NP_001128147 . "major urinary protein 7 precursor [Mus musculus]" . . . . . 87.50 235 98.70 99.35 9.52e-105 . . . . 17447 1 28 no SP B5X0G2 . "RecName: Full=Major urinary protein 17; Short=MUP 17; Flags: Precursor" . . . . . 92.05 180 98.15 99.38 2.16e-111 . . . . 17447 1 29 no SP P02762 . "RecName: Full=Major urinary protein 6; Short=MUP 6; AltName: Full=Alpha-2U-globulin; AltName: Full=Group 1, BS6; AltName: Aller" . . . . . 92.05 180 100.00 100.00 6.31e-114 . . . . 17447 1 30 no SP P04938 . "RecName: Full=Major urinary proteins 11 and 8; AltName: Full=MUP11 and MUP8" . . . . . 85.23 151 100.00 100.00 4.84e-105 . . . . 17447 1 31 no SP P11588 . "RecName: Full=Major urinary protein 1; Short=MUP 1; Flags: Precursor" . . . . . 92.05 180 99.38 100.00 1.82e-113 . . . . 17447 1 32 no SP P11589 . "RecName: Full=Major urinary protein 2; Short=MUP 2; Flags: Precursor" . . . . . 92.05 180 98.77 99.38 1.39e-112 . . . . 17447 1 33 no TPG DAA06299 . "TPA_inf: major urinary protein 3 [Mus musculus]" . . . . . 92.05 180 98.77 99.38 1.35e-112 . . . . 17447 1 34 no TPG DAA06300 . "TPA_inf: major urinary protein 4 [Mus musculus]" . . . . . 92.05 180 99.38 100.00 1.11e-113 . . . . 17447 1 35 no TPG DAA06301 . "TPA_inf: major urinary protein 5 [Mus musculus]" . . . . . 92.05 180 98.77 98.77 3.33e-112 . . . . 17447 1 36 no TPG DAA06302 . "TPA_inf: major urinary protein 6 [Mus musculus]" . . . . . 92.05 180 100.00 100.00 6.31e-114 . . . . 17447 1 37 no TPG DAA06303 . "TPA_inf: major urinary protein 7 [Mus musculus]" . . . . . 92.05 180 99.38 100.00 1.62e-113 . . . . 17447 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'pheromone binding' 17447 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 6 MET . 17447 1 2 7 GLY . 17447 1 3 8 SER . 17447 1 4 9 SER . 17447 1 5 10 HIS . 17447 1 6 11 HIS . 17447 1 7 12 HIS . 17447 1 8 13 HIS . 17447 1 9 14 HIS . 17447 1 10 15 HIS . 17447 1 11 16 ILE . 17447 1 12 17 GLU . 17447 1 13 18 GLY . 17447 1 14 19 ARG . 17447 1 15 20 GLU . 17447 1 16 21 GLU . 17447 1 17 22 ALA . 17447 1 18 23 SER . 17447 1 19 24 SER . 17447 1 20 25 THR . 17447 1 21 26 GLY . 17447 1 22 27 ARG . 17447 1 23 28 ASN . 17447 1 24 29 PHE . 17447 1 25 30 ASN . 17447 1 26 31 VAL . 17447 1 27 32 GLU . 17447 1 28 33 LYS . 17447 1 29 34 ILE . 17447 1 30 35 ASN . 17447 1 31 36 GLY . 17447 1 32 37 GLU . 17447 1 33 38 TRP . 17447 1 34 39 HIS . 17447 1 35 40 THR . 17447 1 36 41 ILE . 17447 1 37 42 ILE . 17447 1 38 43 LEU . 17447 1 39 44 ALA . 17447 1 40 45 SER . 17447 1 41 46 ASP . 17447 1 42 47 LYS . 17447 1 43 48 ARG . 17447 1 44 49 GLU . 17447 1 45 50 LYS . 17447 1 46 51 ILE . 17447 1 47 52 GLU . 17447 1 48 53 ASP . 17447 1 49 54 ASN . 17447 1 50 55 GLY . 17447 1 51 56 ASN . 17447 1 52 57 PHE . 17447 1 53 58 ARG . 17447 1 54 59 LEU . 17447 1 55 60 PHE . 17447 1 56 61 LEU . 17447 1 57 62 GLU . 17447 1 58 63 GLN . 17447 1 59 64 ILE . 17447 1 60 65 HIS . 17447 1 61 66 VAL . 17447 1 62 67 LEU . 17447 1 63 68 GLU . 17447 1 64 69 ASN . 17447 1 65 70 SER . 17447 1 66 71 LEU . 17447 1 67 72 VAL . 17447 1 68 73 LEU . 17447 1 69 74 LYS . 17447 1 70 75 PHE . 17447 1 71 76 HIS . 17447 1 72 77 THR . 17447 1 73 78 VAL . 17447 1 74 79 ARG . 17447 1 75 80 ASP . 17447 1 76 81 GLU . 17447 1 77 82 GLU . 17447 1 78 83 CYS . 17447 1 79 84 SER . 17447 1 80 85 GLU . 17447 1 81 86 LEU . 17447 1 82 87 SER . 17447 1 83 88 MET . 17447 1 84 89 VAL . 17447 1 85 90 ALA . 17447 1 86 91 ASP . 17447 1 87 92 LYS . 17447 1 88 93 THR . 17447 1 89 94 GLU . 17447 1 90 95 LYS . 17447 1 91 96 ALA . 17447 1 92 97 GLY . 17447 1 93 98 GLU . 17447 1 94 99 TYR . 17447 1 95 100 SER . 17447 1 96 101 VAL . 17447 1 97 102 THR . 17447 1 98 103 TYR . 17447 1 99 104 ASP . 17447 1 100 105 GLY . 17447 1 101 106 PHE . 17447 1 102 107 ASN . 17447 1 103 108 THR . 17447 1 104 109 PHE . 17447 1 105 110 THR . 17447 1 106 111 ILE . 17447 1 107 112 PRO . 17447 1 108 113 LYS . 17447 1 109 114 THR . 17447 1 110 115 ASP . 17447 1 111 116 TYR . 17447 1 112 117 ASP . 17447 1 113 118 ASN . 17447 1 114 119 PHE . 17447 1 115 120 LEU . 17447 1 116 121 MET . 17447 1 117 122 ALA . 17447 1 118 123 HIS . 17447 1 119 124 LEU . 17447 1 120 125 ILE . 17447 1 121 126 ASN . 17447 1 122 127 GLU . 17447 1 123 128 LYS . 17447 1 124 129 ASP . 17447 1 125 130 GLY . 17447 1 126 131 GLU . 17447 1 127 132 THR . 17447 1 128 133 PHE . 17447 1 129 134 GLN . 17447 1 130 135 LEU . 17447 1 131 136 MET . 17447 1 132 137 GLY . 17447 1 133 138 LEU . 17447 1 134 139 TYR . 17447 1 135 140 GLY . 17447 1 136 141 ARG . 17447 1 137 142 GLU . 17447 1 138 143 PRO . 17447 1 139 144 ASP . 17447 1 140 145 LEU . 17447 1 141 146 SER . 17447 1 142 147 SER . 17447 1 143 148 ASP . 17447 1 144 149 ILE . 17447 1 145 150 LYS . 17447 1 146 151 GLU . 17447 1 147 152 ARG . 17447 1 148 153 PHE . 17447 1 149 154 ALA . 17447 1 150 155 GLN . 17447 1 151 156 LEU . 17447 1 152 157 CYS . 17447 1 153 158 GLU . 17447 1 154 159 GLU . 17447 1 155 160 HIS . 17447 1 156 161 GLY . 17447 1 157 162 ILE . 17447 1 158 163 LEU . 17447 1 159 164 ARG . 17447 1 160 165 GLU . 17447 1 161 166 ASN . 17447 1 162 167 ILE . 17447 1 163 168 ILE . 17447 1 164 169 ASP . 17447 1 165 170 LEU . 17447 1 166 171 SER . 17447 1 167 172 ASN . 17447 1 168 173 ALA . 17447 1 169 174 ASN . 17447 1 170 175 ARG . 17447 1 171 176 CYS . 17447 1 172 177 LEU . 17447 1 173 178 GLN . 17447 1 174 179 ALA . 17447 1 175 180 ARG . 17447 1 176 181 GLU . 17447 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17447 1 . GLY 2 2 17447 1 . SER 3 3 17447 1 . SER 4 4 17447 1 . HIS 5 5 17447 1 . HIS 6 6 17447 1 . HIS 7 7 17447 1 . HIS 8 8 17447 1 . HIS 9 9 17447 1 . HIS 10 10 17447 1 . ILE 11 11 17447 1 . GLU 12 12 17447 1 . GLY 13 13 17447 1 . ARG 14 14 17447 1 . GLU 15 15 17447 1 . GLU 16 16 17447 1 . ALA 17 17 17447 1 . SER 18 18 17447 1 . SER 19 19 17447 1 . THR 20 20 17447 1 . GLY 21 21 17447 1 . ARG 22 22 17447 1 . ASN 23 23 17447 1 . PHE 24 24 17447 1 . ASN 25 25 17447 1 . VAL 26 26 17447 1 . GLU 27 27 17447 1 . LYS 28 28 17447 1 . ILE 29 29 17447 1 . ASN 30 30 17447 1 . GLY 31 31 17447 1 . GLU 32 32 17447 1 . TRP 33 33 17447 1 . HIS 34 34 17447 1 . THR 35 35 17447 1 . ILE 36 36 17447 1 . ILE 37 37 17447 1 . LEU 38 38 17447 1 . ALA 39 39 17447 1 . SER 40 40 17447 1 . ASP 41 41 17447 1 . LYS 42 42 17447 1 . ARG 43 43 17447 1 . GLU 44 44 17447 1 . LYS 45 45 17447 1 . ILE 46 46 17447 1 . GLU 47 47 17447 1 . ASP 48 48 17447 1 . ASN 49 49 17447 1 . GLY 50 50 17447 1 . ASN 51 51 17447 1 . PHE 52 52 17447 1 . ARG 53 53 17447 1 . LEU 54 54 17447 1 . PHE 55 55 17447 1 . LEU 56 56 17447 1 . GLU 57 57 17447 1 . GLN 58 58 17447 1 . ILE 59 59 17447 1 . HIS 60 60 17447 1 . VAL 61 61 17447 1 . LEU 62 62 17447 1 . GLU 63 63 17447 1 . ASN 64 64 17447 1 . SER 65 65 17447 1 . LEU 66 66 17447 1 . VAL 67 67 17447 1 . LEU 68 68 17447 1 . LYS 69 69 17447 1 . PHE 70 70 17447 1 . HIS 71 71 17447 1 . THR 72 72 17447 1 . VAL 73 73 17447 1 . ARG 74 74 17447 1 . ASP 75 75 17447 1 . GLU 76 76 17447 1 . GLU 77 77 17447 1 . CYS 78 78 17447 1 . SER 79 79 17447 1 . GLU 80 80 17447 1 . LEU 81 81 17447 1 . SER 82 82 17447 1 . MET 83 83 17447 1 . VAL 84 84 17447 1 . ALA 85 85 17447 1 . ASP 86 86 17447 1 . LYS 87 87 17447 1 . THR 88 88 17447 1 . GLU 89 89 17447 1 . LYS 90 90 17447 1 . ALA 91 91 17447 1 . GLY 92 92 17447 1 . GLU 93 93 17447 1 . TYR 94 94 17447 1 . SER 95 95 17447 1 . VAL 96 96 17447 1 . THR 97 97 17447 1 . TYR 98 98 17447 1 . ASP 99 99 17447 1 . GLY 100 100 17447 1 . PHE 101 101 17447 1 . ASN 102 102 17447 1 . THR 103 103 17447 1 . PHE 104 104 17447 1 . THR 105 105 17447 1 . ILE 106 106 17447 1 . PRO 107 107 17447 1 . LYS 108 108 17447 1 . THR 109 109 17447 1 . ASP 110 110 17447 1 . TYR 111 111 17447 1 . ASP 112 112 17447 1 . ASN 113 113 17447 1 . PHE 114 114 17447 1 . LEU 115 115 17447 1 . MET 116 116 17447 1 . ALA 117 117 17447 1 . HIS 118 118 17447 1 . LEU 119 119 17447 1 . ILE 120 120 17447 1 . ASN 121 121 17447 1 . GLU 122 122 17447 1 . LYS 123 123 17447 1 . ASP 124 124 17447 1 . GLY 125 125 17447 1 . GLU 126 126 17447 1 . THR 127 127 17447 1 . PHE 128 128 17447 1 . GLN 129 129 17447 1 . LEU 130 130 17447 1 . MET 131 131 17447 1 . GLY 132 132 17447 1 . LEU 133 133 17447 1 . TYR 134 134 17447 1 . GLY 135 135 17447 1 . ARG 136 136 17447 1 . GLU 137 137 17447 1 . PRO 138 138 17447 1 . ASP 139 139 17447 1 . LEU 140 140 17447 1 . SER 141 141 17447 1 . SER 142 142 17447 1 . ASP 143 143 17447 1 . ILE 144 144 17447 1 . LYS 145 145 17447 1 . GLU 146 146 17447 1 . ARG 147 147 17447 1 . PHE 148 148 17447 1 . ALA 149 149 17447 1 . GLN 150 150 17447 1 . LEU 151 151 17447 1 . CYS 152 152 17447 1 . GLU 153 153 17447 1 . GLU 154 154 17447 1 . HIS 155 155 17447 1 . GLY 156 156 17447 1 . ILE 157 157 17447 1 . LEU 158 158 17447 1 . ARG 159 159 17447 1 . GLU 160 160 17447 1 . ASN 161 161 17447 1 . ILE 162 162 17447 1 . ILE 163 163 17447 1 . ASP 164 164 17447 1 . LEU 165 165 17447 1 . SER 166 166 17447 1 . ASN 167 167 17447 1 . ALA 168 168 17447 1 . ASN 169 169 17447 1 . ARG 170 170 17447 1 . CYS 171 171 17447 1 . LEU 172 172 17447 1 . GLN 173 173 17447 1 . ALA 174 174 17447 1 . ARG 175 175 17447 1 . GLU 176 176 17447 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17447 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MUP11 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus C57BL . . . . . . . . . . . . . . . . . . . . 17447 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17447 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MUP11 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b . . . 'incoporates a N terminal His-tag' . . 17447 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17447 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MUP11 '[U-98% 13C; U-98% 15N]' . . 1 $MUP11 . . 1 . . mM . . . . 17447 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17447 1 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17447 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17447 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17447 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17447 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MUP11 '[U-98% 13C; U-98% 15N]' . . 1 $MUP11 . . 1 . . mM . . . . 17447 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17447 2 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17447 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17447 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17447 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 17447 1 pH 6.8 . pH 17447 1 pressure 1 . atm 17447 1 temperature 300 . K 17447 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 17447 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1.5 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 17447 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17447 1 'data analysis' 17447 1 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 17447 _Software.ID 2 _Software.Name DANGLE _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 17447 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Secondary structure calculation' 17447 2 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 17447 _Software.ID 3 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 17447 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17447 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17447 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17447 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17447 4 refinement 17447 4 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 17447 _Software.ID 5 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David Wishart, Brian Sykes' . . 17447 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Secondary structure calculation' 17447 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17447 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17447 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17447 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'equipped with cryoprobe' . . 17447 1 2 spectrometer_2 Bruker Avance . 600 'equipped with cryoprobe' . . 17447 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17447 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 6 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 9 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 10 '2D 1H-13C HSQC (aromatic)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17447 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17447 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17447 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17447 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17447 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17447 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17447 1 2 '2D 1H-13C HSQC' . . . 17447 1 3 '3D CBCA(CO)NH' . . . 17447 1 4 '3D HNCACB' . . . 17447 1 5 '3D HBHA(CO)NH' . . . 17447 1 6 '3D HBHANH' . . . 17447 1 7 '3D HNCO' . . . 17447 1 8 '3D HN(CA)CO' . . . 17447 1 9 '2D (HB)CB(CGCD)HD' . . . 17447 1 10 '2D 1H-13C HSQC (aromatic)' . . . 17447 1 11 '3D HCCH-TOCSY' . . . 17447 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 10 10 HIS HA H 1 4.552 0.003 . 1 . . . . 15 His HA . 17447 1 2 . 1 1 10 10 HIS HB2 H 1 3.008 0.009 . 2 . . . . 15 His HB2 . 17447 1 3 . 1 1 10 10 HIS HB3 H 1 3.035 0.001 . 2 . . . . 15 His HB3 . 17447 1 4 . 1 1 10 10 HIS C C 13 175.691 0.001 . 1 . . . . 15 His C . 17447 1 5 . 1 1 10 10 HIS CA C 13 56.165 0.012 . 1 . . . . 15 His CA . 17447 1 6 . 1 1 10 10 HIS CB C 13 30.464 0.032 . 1 . . . . 15 His CB . 17447 1 7 . 1 1 11 11 ILE H H 1 8.112 0.001 . 1 . . . . 16 Ile H . 17447 1 8 . 1 1 11 11 ILE HA H 1 4.057 0.002 . 1 . . . . 16 Ile HA . 17447 1 9 . 1 1 11 11 ILE HB H 1 1.727 0.003 . 1 . . . . 16 Ile HB . 17447 1 10 . 1 1 11 11 ILE HG12 H 1 1.049 0.003 . 2 . . . . 16 Ile HG12 . 17447 1 11 . 1 1 11 11 ILE HG13 H 1 1.343 0.002 . 2 . . . . 16 Ile HG13 . 17447 1 12 . 1 1 11 11 ILE HG21 H 1 0.805 0.003 . 1 . . . . 16 Ile HG21 . 17447 1 13 . 1 1 11 11 ILE HG22 H 1 0.805 0.003 . 1 . . . . 16 Ile HG22 . 17447 1 14 . 1 1 11 11 ILE HG23 H 1 0.805 0.003 . 1 . . . . 16 Ile HG23 . 17447 1 15 . 1 1 11 11 ILE HD11 H 1 0.769 0.005 . 1 . . . . 16 Ile HD11 . 17447 1 16 . 1 1 11 11 ILE HD12 H 1 0.769 0.005 . 1 . . . . 16 Ile HD12 . 17447 1 17 . 1 1 11 11 ILE HD13 H 1 0.769 0.005 . 1 . . . . 16 Ile HD13 . 17447 1 18 . 1 1 11 11 ILE C C 13 174.577 0.001 . 1 . . . . 16 Ile C . 17447 1 19 . 1 1 11 11 ILE CA C 13 60.914 0.006 . 1 . . . . 16 Ile CA . 17447 1 20 . 1 1 11 11 ILE CB C 13 38.776 0.074 . 1 . . . . 16 Ile CB . 17447 1 21 . 1 1 11 11 ILE CG1 C 13 27.155 0.041 . 1 . . . . 16 Ile CG1 . 17447 1 22 . 1 1 11 11 ILE CG2 C 13 17.432 0.019 . 1 . . . . 16 Ile CG2 . 17447 1 23 . 1 1 11 11 ILE CD1 C 13 12.879 0.016 . 1 . . . . 16 Ile CD1 . 17447 1 24 . 1 1 11 11 ILE N N 15 123.453 0.011 . 1 . . . . 16 Ile N . 17447 1 25 . 1 1 12 12 GLU H H 1 8.488 0.001 . 1 . . . . 17 Glu H . 17447 1 26 . 1 1 12 12 GLU HA H 1 4.223 0.003 . 1 . . . . 17 Glu HA . 17447 1 27 . 1 1 12 12 GLU HB2 H 1 1.905 0.002 . 2 . . . . 17 Glu HB2 . 17447 1 28 . 1 1 12 12 GLU HB3 H 1 2.011 0.008 . 2 . . . . 17 Glu HB3 . 17447 1 29 . 1 1 12 12 GLU HG2 H 1 2.237 0.002 . 2 . . . . 17 Glu HG2 . 17447 1 30 . 1 1 12 12 GLU C C 13 173.554 0.001 . 1 . . . . 17 Glu C . 17447 1 31 . 1 1 12 12 GLU CA C 13 56.684 0.029 . 1 . . . . 17 Glu CA . 17447 1 32 . 1 1 12 12 GLU CB C 13 30.257 0.054 . 1 . . . . 17 Glu CB . 17447 1 33 . 1 1 12 12 GLU CG C 13 36.206 0.040 . 1 . . . . 17 Glu CG . 17447 1 34 . 1 1 12 12 GLU N N 15 125.224 0.008 . 1 . . . . 17 Glu N . 17447 1 35 . 1 1 13 13 GLY H H 1 8.491 0.001 . 1 . . . . 18 Gly H . 17447 1 36 . 1 1 13 13 GLY HA2 H 1 3.940 0.001 . 2 . . . . 18 Gly HA2 . 17447 1 37 . 1 1 13 13 GLY C C 13 176.383 0.006 . 1 . . . . 18 Gly C . 17447 1 38 . 1 1 13 13 GLY CA C 13 45.424 0.027 . 1 . . . . 18 Gly CA . 17447 1 39 . 1 1 13 13 GLY N N 15 110.569 0.007 . 1 . . . . 18 Gly N . 17447 1 40 . 1 1 14 14 ARG H H 1 8.154 0.001 . 1 . . . . 19 Arg H . 17447 1 41 . 1 1 14 14 ARG HA H 1 4.409 0.004 . 1 . . . . 19 Arg HA . 17447 1 42 . 1 1 14 14 ARG HB2 H 1 1.805 0.005 . 2 . . . . 19 Arg HB2 . 17447 1 43 . 1 1 14 14 ARG HB3 H 1 1.917 0.002 . 2 . . . . 19 Arg HB3 . 17447 1 44 . 1 1 14 14 ARG HG2 H 1 1.655 0.011 . 2 . . . . 19 Arg HG2 . 17447 1 45 . 1 1 14 14 ARG HD3 H 1 3.251 0.010 . 2 . . . . 19 Arg HD3 . 17447 1 46 . 1 1 14 14 ARG C C 13 174.431 0.003 . 1 . . . . 19 Arg C . 17447 1 47 . 1 1 14 14 ARG CA C 13 55.843 0.025 . 1 . . . . 19 Arg CA . 17447 1 48 . 1 1 14 14 ARG CB C 13 31.000 0.053 . 1 . . . . 19 Arg CB . 17447 1 49 . 1 1 14 14 ARG CG C 13 27.159 0.033 . 1 . . . . 19 Arg CG . 17447 1 50 . 1 1 14 14 ARG CD C 13 43.328 0.006 . 1 . . . . 19 Arg CD . 17447 1 51 . 1 1 14 14 ARG N N 15 120.713 0.007 . 1 . . . . 19 Arg N . 17447 1 52 . 1 1 15 15 GLU H H 1 8.564 0.001 . 1 . . . . 20 Glu H . 17447 1 53 . 1 1 15 15 GLU HA H 1 4.350 0.003 . 1 . . . . 20 Glu HA . 17447 1 54 . 1 1 15 15 GLU HB2 H 1 2.047 0.001 . 2 . . . . 20 Glu HB2 . 17447 1 55 . 1 1 15 15 GLU HB3 H 1 1.972 0.008 . 2 . . . . 20 Glu HB3 . 17447 1 56 . 1 1 15 15 GLU HG2 H 1 2.257 0.001 . 2 . . . . 20 Glu HG2 . 17447 1 57 . 1 1 15 15 GLU C C 13 174.984 0.004 . 1 . . . . 20 Glu C . 17447 1 58 . 1 1 15 15 GLU CA C 13 56.375 0.085 . 1 . . . . 20 Glu CA . 17447 1 59 . 1 1 15 15 GLU CB C 13 30.930 0.015 . 1 . . . . 20 Glu CB . 17447 1 60 . 1 1 15 15 GLU CG C 13 36.250 0.002 . 1 . . . . 20 Glu CG . 17447 1 61 . 1 1 15 15 GLU N N 15 123.011 0.010 . 1 . . . . 20 Glu N . 17447 1 62 . 1 1 16 16 GLU H H 1 8.231 0.001 . 1 . . . . 21 Glu H . 17447 1 63 . 1 1 16 16 GLU HA H 1 4.598 0.007 . 1 . . . . 21 Glu HA . 17447 1 64 . 1 1 16 16 GLU HB2 H 1 1.874 0.010 . 2 . . . . 21 Glu HB2 . 17447 1 65 . 1 1 16 16 GLU HG2 H 1 2.342 0.003 . 2 . . . . 21 Glu HG2 . 17447 1 66 . 1 1 16 16 GLU C C 13 174.976 0.007 . 1 . . . . 21 Glu C . 17447 1 67 . 1 1 16 16 GLU CA C 13 55.293 0.008 . 1 . . . . 21 Glu CA . 17447 1 68 . 1 1 16 16 GLU CB C 13 32.021 0.013 . 1 . . . . 21 Glu CB . 17447 1 69 . 1 1 16 16 GLU CG C 13 36.937 0.020 . 1 . . . . 21 Glu CG . 17447 1 70 . 1 1 16 16 GLU N N 15 121.008 0.010 . 1 . . . . 21 Glu N . 17447 1 71 . 1 1 17 17 ALA H H 1 8.686 0.002 . 1 . . . . 22 Ala H . 17447 1 72 . 1 1 17 17 ALA HA H 1 4.788 0.003 . 1 . . . . 22 Ala HA . 17447 1 73 . 1 1 17 17 ALA HB1 H 1 1.392 0.002 . 1 . . . . 22 Ala HB1 . 17447 1 74 . 1 1 17 17 ALA HB2 H 1 1.392 0.002 . 1 . . . . 22 Ala HB2 . 17447 1 75 . 1 1 17 17 ALA HB3 H 1 1.392 0.002 . 1 . . . . 22 Ala HB3 . 17447 1 76 . 1 1 17 17 ALA C C 13 175.206 0.009 . 1 . . . . 22 Ala C . 17447 1 77 . 1 1 17 17 ALA CA C 13 51.239 0.026 . 1 . . . . 22 Ala CA . 17447 1 78 . 1 1 17 17 ALA CB C 13 23.255 0.027 . 1 . . . . 22 Ala CB . 17447 1 79 . 1 1 17 17 ALA N N 15 125.015 0.010 . 1 . . . . 22 Ala N . 17447 1 80 . 1 1 18 18 SER H H 1 8.044 0.001 . 1 . . . . 23 Ser H . 17447 1 81 . 1 1 18 18 SER HA H 1 4.825 0.007 . 1 . . . . 23 Ser HA . 17447 1 82 . 1 1 18 18 SER HB2 H 1 3.812 0.002 . 2 . . . . 23 Ser HB2 . 17447 1 83 . 1 1 18 18 SER HB3 H 1 3.654 0.007 . 2 . . . . 23 Ser HB3 . 17447 1 84 . 1 1 18 18 SER C C 13 173.952 0.005 . 1 . . . . 23 Ser C . 17447 1 85 . 1 1 18 18 SER CA C 13 55.000 0.034 . 1 . . . . 23 Ser CA . 17447 1 86 . 1 1 18 18 SER CB C 13 66.147 0.011 . 1 . . . . 23 Ser CB . 17447 1 87 . 1 1 18 18 SER N N 15 111.655 0.017 . 1 . . . . 23 Ser N . 17447 1 88 . 1 1 19 19 SER H H 1 9.246 0.004 . 1 . . . . 24 Ser H . 17447 1 89 . 1 1 19 19 SER HA H 1 3.620 0.003 . 1 . . . . 24 Ser HA . 17447 1 90 . 1 1 19 19 SER HB2 H 1 3.063 0.007 . 2 . . . . 24 Ser HB2 . 17447 1 91 . 1 1 19 19 SER HB3 H 1 2.256 0.003 . 2 . . . . 24 Ser HB3 . 17447 1 92 . 1 1 19 19 SER C C 13 176.259 0.001 . 1 . . . . 24 Ser C . 17447 1 93 . 1 1 19 19 SER CA C 13 60.466 0.045 . 1 . . . . 24 Ser CA . 17447 1 94 . 1 1 19 19 SER CB C 13 60.507 0.044 . 1 . . . . 24 Ser CB . 17447 1 95 . 1 1 19 19 SER N N 15 120.672 0.038 . 1 . . . . 24 Ser N . 17447 1 96 . 1 1 20 20 THR H H 1 7.131 0.003 . 1 . . . . 25 Thr H . 17447 1 97 . 1 1 20 20 THR HA H 1 3.968 0.004 . 1 . . . . 25 Thr HA . 17447 1 98 . 1 1 20 20 THR HB H 1 4.390 0.003 . 1 . . . . 25 Thr HB . 17447 1 99 . 1 1 20 20 THR HG21 H 1 1.123 0.003 . 1 . . . . 25 Thr HG21 . 17447 1 100 . 1 1 20 20 THR HG22 H 1 1.123 0.003 . 1 . . . . 25 Thr HG22 . 17447 1 101 . 1 1 20 20 THR HG23 H 1 1.123 0.003 . 1 . . . . 25 Thr HG23 . 17447 1 102 . 1 1 20 20 THR C C 13 175.411 0.007 . 1 . . . . 25 Thr C . 17447 1 103 . 1 1 20 20 THR CA C 13 61.251 0.027 . 1 . . . . 25 Thr CA . 17447 1 104 . 1 1 20 20 THR CB C 13 68.594 0.047 . 1 . . . . 25 Thr CB . 17447 1 105 . 1 1 20 20 THR CG2 C 13 21.074 0.028 . 1 . . . . 25 Thr CG2 . 17447 1 106 . 1 1 20 20 THR N N 15 108.567 0.040 . 1 . . . . 25 Thr N . 17447 1 107 . 1 1 21 21 GLY H H 1 7.610 0.002 . 1 . . . . 26 Gly H . 17447 1 108 . 1 1 21 21 GLY HA2 H 1 3.830 0.001 . 2 . . . . 26 Gly HA2 . 17447 1 109 . 1 1 21 21 GLY HA3 H 1 4.345 0.001 . 2 . . . . 26 Gly HA3 . 17447 1 110 . 1 1 21 21 GLY C C 13 175.740 0.004 . 1 . . . . 26 Gly C . 17447 1 111 . 1 1 21 21 GLY CA C 13 44.207 0.007 . 1 . . . . 26 Gly CA . 17447 1 112 . 1 1 21 21 GLY N N 15 110.597 0.027 . 1 . . . . 26 Gly N . 17447 1 113 . 1 1 22 22 ARG H H 1 8.618 0.004 . 1 . . . . 27 Arg H . 17447 1 114 . 1 1 22 22 ARG HA H 1 4.213 0.001 . 1 . . . . 27 Arg HA . 17447 1 115 . 1 1 22 22 ARG HB2 H 1 1.807 0.001 . 2 . . . . 27 Arg HB2 . 17447 1 116 . 1 1 22 22 ARG HB3 H 1 1.823 0.002 . 2 . . . . 27 Arg HB3 . 17447 1 117 . 1 1 22 22 ARG HG2 H 1 1.684 0.001 . 2 . . . . 27 Arg HG2 . 17447 1 118 . 1 1 22 22 ARG HD2 H 1 3.196 0.002 . 2 . . . . 27 Arg HD2 . 17447 1 119 . 1 1 22 22 ARG C C 13 173.482 0.001 . 1 . . . . 27 Arg C . 17447 1 120 . 1 1 22 22 ARG CA C 13 57.388 0.015 . 1 . . . . 27 Arg CA . 17447 1 121 . 1 1 22 22 ARG CB C 13 30.397 0.062 . 1 . . . . 27 Arg CB . 17447 1 122 . 1 1 22 22 ARG CG C 13 27.310 0.022 . 1 . . . . 27 Arg CG . 17447 1 123 . 1 1 22 22 ARG CD C 13 43.184 0.048 . 1 . . . . 27 Arg CD . 17447 1 124 . 1 1 22 22 ARG N N 15 120.283 0.053 . 1 . . . . 27 Arg N . 17447 1 125 . 1 1 23 23 ASN H H 1 8.636 0.002 . 1 . . . . 28 Asn H . 17447 1 126 . 1 1 23 23 ASN HA H 1 4.685 0.001 . 1 . . . . 28 Asn HA . 17447 1 127 . 1 1 23 23 ASN HB3 H 1 2.892 0.003 . 2 . . . . 28 Asn HB3 . 17447 1 128 . 1 1 23 23 ASN HD21 H 1 7.713 0.002 . 2 . . . . 28 Asn HD21 . 17447 1 129 . 1 1 23 23 ASN HD22 H 1 6.938 0.002 . 2 . . . . 28 Asn HD22 . 17447 1 130 . 1 1 23 23 ASN C C 13 175.592 0.012 . 1 . . . . 28 Asn C . 17447 1 131 . 1 1 23 23 ASN CA C 13 52.851 0.031 . 1 . . . . 28 Asn CA . 17447 1 132 . 1 1 23 23 ASN CB C 13 37.844 0.015 . 1 . . . . 28 Asn CB . 17447 1 133 . 1 1 23 23 ASN N N 15 112.867 0.002 . 1 . . . . 28 Asn N . 17447 1 134 . 1 1 24 24 PHE H H 1 7.817 0.001 . 1 . . . . 29 Phe H . 17447 1 135 . 1 1 24 24 PHE HA H 1 4.248 0.001 . 1 . . . . 29 Phe HA . 17447 1 136 . 1 1 24 24 PHE HB2 H 1 3.537 0.003 . 2 . . . . 29 Phe HB2 . 17447 1 137 . 1 1 24 24 PHE HB3 H 1 2.931 0.001 . 2 . . . . 29 Phe HB3 . 17447 1 138 . 1 1 24 24 PHE HD1 H 1 7.219 0.003 . 3 . . . . 29 Phe HD1 . 17447 1 139 . 1 1 24 24 PHE HD2 H 1 7.219 0.003 . 3 . . . . 29 Phe HD2 . 17447 1 140 . 1 1 24 24 PHE HE1 H 1 7.155 0.002 . 3 . . . . 29 Phe HE1 . 17447 1 141 . 1 1 24 24 PHE HE2 H 1 7.155 0.002 . 3 . . . . 29 Phe HE2 . 17447 1 142 . 1 1 24 24 PHE HZ H 1 7.058 0.003 . 1 . . . . 29 Phe HZ . 17447 1 143 . 1 1 24 24 PHE C C 13 175.510 0.017 . 1 . . . . 29 Phe C . 17447 1 144 . 1 1 24 24 PHE CA C 13 58.388 0.010 . 1 . . . . 29 Phe CA . 17447 1 145 . 1 1 24 24 PHE CB C 13 39.674 0.031 . 1 . . . . 29 Phe CB . 17447 1 146 . 1 1 24 24 PHE CD1 C 13 133.094 0.031 . 3 . . . . 29 Phe CD1 . 17447 1 147 . 1 1 24 24 PHE CD2 C 13 133.094 0.031 . 3 . . . . 29 Phe CD2 . 17447 1 148 . 1 1 24 24 PHE CE1 C 13 130.536 0.031 . 3 . . . . 29 Phe CE1 . 17447 1 149 . 1 1 24 24 PHE CE2 C 13 130.536 0.031 . 3 . . . . 29 Phe CE2 . 17447 1 150 . 1 1 24 24 PHE CZ C 13 128.097 0.052 . 1 . . . . 29 Phe CZ . 17447 1 151 . 1 1 24 24 PHE N N 15 121.649 0.006 . 1 . . . . 29 Phe N . 17447 1 152 . 1 1 25 25 ASN H H 1 7.689 0.002 . 1 . . . . 30 Asn H . 17447 1 153 . 1 1 25 25 ASN HA H 1 4.727 0.010 . 1 . . . . 30 Asn HA . 17447 1 154 . 1 1 25 25 ASN HB2 H 1 2.210 0.005 . 2 . . . . 30 Asn HB2 . 17447 1 155 . 1 1 25 25 ASN HB3 H 1 2.458 0.008 . 2 . . . . 30 Asn HB3 . 17447 1 156 . 1 1 25 25 ASN HD21 H 1 6.780 0.002 . 2 . . . . 30 Asn HD21 . 17447 1 157 . 1 1 25 25 ASN HD22 H 1 7.266 0.002 . 2 . . . . 30 Asn HD22 . 17447 1 158 . 1 1 25 25 ASN C C 13 176.420 0.002 . 1 . . . . 30 Asn C . 17447 1 159 . 1 1 25 25 ASN CA C 13 50.717 0.024 . 1 . . . . 30 Asn CA . 17447 1 160 . 1 1 25 25 ASN CB C 13 38.146 0.018 . 1 . . . . 30 Asn CB . 17447 1 161 . 1 1 25 25 ASN N N 15 127.589 0.021 . 1 . . . . 30 Asn N . 17447 1 162 . 1 1 25 25 ASN ND2 N 15 110.144 0.001 . 1 . . . . 30 Asn ND2 . 17447 1 163 . 1 1 26 26 VAL H H 1 8.115 0.002 . 1 . . . . 31 Val H . 17447 1 164 . 1 1 26 26 VAL HA H 1 3.159 0.003 . 1 . . . . 31 Val HA . 17447 1 165 . 1 1 26 26 VAL HB H 1 2.084 0.004 . 1 . . . . 31 Val HB . 17447 1 166 . 1 1 26 26 VAL HG11 H 1 0.937 0.003 . 2 . . . . 31 Val HG11 . 17447 1 167 . 1 1 26 26 VAL HG12 H 1 0.937 0.003 . 2 . . . . 31 Val HG12 . 17447 1 168 . 1 1 26 26 VAL HG13 H 1 0.937 0.003 . 2 . . . . 31 Val HG13 . 17447 1 169 . 1 1 26 26 VAL HG21 H 1 1.119 0.004 . 2 . . . . 31 Val HG21 . 17447 1 170 . 1 1 26 26 VAL HG22 H 1 1.119 0.004 . 2 . . . . 31 Val HG22 . 17447 1 171 . 1 1 26 26 VAL HG23 H 1 1.119 0.004 . 2 . . . . 31 Val HG23 . 17447 1 172 . 1 1 26 26 VAL C C 13 175.150 0.011 . 1 . . . . 31 Val C . 17447 1 173 . 1 1 26 26 VAL CA C 13 64.319 0.024 . 1 . . . . 31 Val CA . 17447 1 174 . 1 1 26 26 VAL CB C 13 31.709 0.045 . 1 . . . . 31 Val CB . 17447 1 175 . 1 1 26 26 VAL CG1 C 13 19.214 0.021 . 2 . . . . 31 Val CG1 . 17447 1 176 . 1 1 26 26 VAL CG2 C 13 21.889 0.044 . 2 . . . . 31 Val CG2 . 17447 1 177 . 1 1 26 26 VAL N N 15 123.347 0.026 . 1 . . . . 31 Val N . 17447 1 178 . 1 1 27 27 GLU H H 1 8.053 0.002 . 1 . . . . 32 Glu H . 17447 1 179 . 1 1 27 27 GLU HA H 1 3.742 0.003 . 1 . . . . 32 Glu HA . 17447 1 180 . 1 1 27 27 GLU HB2 H 1 1.865 0.007 . 2 . . . . 32 Glu HB2 . 17447 1 181 . 1 1 27 27 GLU HB3 H 1 1.842 0.001 . 2 . . . . 32 Glu HB3 . 17447 1 182 . 1 1 27 27 GLU HG2 H 1 2.185 0.001 . 2 . . . . 32 Glu HG2 . 17447 1 183 . 1 1 27 27 GLU HG3 H 1 2.104 0.001 . 2 . . . . 32 Glu HG3 . 17447 1 184 . 1 1 27 27 GLU C C 13 171.193 0.001 . 1 . . . . 32 Glu C . 17447 1 185 . 1 1 27 27 GLU CA C 13 59.483 0.033 . 1 . . . . 32 Glu CA . 17447 1 186 . 1 1 27 27 GLU CB C 13 28.476 0.070 . 1 . . . . 32 Glu CB . 17447 1 187 . 1 1 27 27 GLU CG C 13 36.527 0.007 . 1 . . . . 32 Glu CG . 17447 1 188 . 1 1 27 27 GLU N N 15 118.279 0.006 . 1 . . . . 32 Glu N . 17447 1 189 . 1 1 28 28 LYS H H 1 7.294 0.002 . 1 . . . . 33 Lys H . 17447 1 190 . 1 1 28 28 LYS HA H 1 3.953 0.003 . 1 . . . . 33 Lys HA . 17447 1 191 . 1 1 28 28 LYS HB2 H 1 0.939 0.012 . 2 . . . . 33 Lys HB2 . 17447 1 192 . 1 1 28 28 LYS HB3 H 1 1.290 0.005 . 2 . . . . 33 Lys HB3 . 17447 1 193 . 1 1 28 28 LYS HG2 H 1 0.950 0.002 . 2 . . . . 33 Lys HG2 . 17447 1 194 . 1 1 28 28 LYS HD2 H 1 1.069 0.003 . 2 . . . . 33 Lys HD2 . 17447 1 195 . 1 1 28 28 LYS HD3 H 1 0.961 0.001 . 2 . . . . 33 Lys HD3 . 17447 1 196 . 1 1 28 28 LYS HE2 H 1 2.553 0.005 . 2 . . . . 33 Lys HE2 . 17447 1 197 . 1 1 28 28 LYS HE3 H 1 2.520 0.001 . 2 . . . . 33 Lys HE3 . 17447 1 198 . 1 1 28 28 LYS C C 13 172.217 0.013 . 1 . . . . 33 Lys C . 17447 1 199 . 1 1 28 28 LYS CA C 13 57.508 0.009 . 1 . . . . 33 Lys CA . 17447 1 200 . 1 1 28 28 LYS CB C 13 31.501 0.023 . 1 . . . . 33 Lys CB . 17447 1 201 . 1 1 28 28 LYS CG C 13 25.611 0.044 . 1 . . . . 33 Lys CG . 17447 1 202 . 1 1 28 28 LYS CD C 13 28.672 0.002 . 1 . . . . 33 Lys CD . 17447 1 203 . 1 1 28 28 LYS CE C 13 41.407 0.023 . 1 . . . . 33 Lys CE . 17447 1 204 . 1 1 28 28 LYS N N 15 114.915 0.036 . 1 . . . . 33 Lys N . 17447 1 205 . 1 1 29 29 ILE H H 1 7.611 0.010 . 1 . . . . 34 Ile H . 17447 1 206 . 1 1 29 29 ILE HA H 1 4.920 0.005 . 1 . . . . 34 Ile HA . 17447 1 207 . 1 1 29 29 ILE HB H 1 2.268 0.003 . 1 . . . . 34 Ile HB . 17447 1 208 . 1 1 29 29 ILE HG12 H 1 2.017 0.009 . 2 . . . . 34 Ile HG12 . 17447 1 209 . 1 1 29 29 ILE HG13 H 1 1.068 0.001 . 2 . . . . 34 Ile HG13 . 17447 1 210 . 1 1 29 29 ILE HG21 H 1 1.071 0.003 . 1 . . . . 34 Ile HG21 . 17447 1 211 . 1 1 29 29 ILE HG22 H 1 1.071 0.003 . 1 . . . . 34 Ile HG22 . 17447 1 212 . 1 1 29 29 ILE HG23 H 1 1.071 0.003 . 1 . . . . 34 Ile HG23 . 17447 1 213 . 1 1 29 29 ILE HD11 H 1 0.702 0.005 . 1 . . . . 34 Ile HD11 . 17447 1 214 . 1 1 29 29 ILE HD12 H 1 0.702 0.005 . 1 . . . . 34 Ile HD12 . 17447 1 215 . 1 1 29 29 ILE HD13 H 1 0.702 0.005 . 1 . . . . 34 Ile HD13 . 17447 1 216 . 1 1 29 29 ILE C C 13 175.838 0.003 . 1 . . . . 34 Ile C . 17447 1 217 . 1 1 29 29 ILE CA C 13 61.924 0.019 . 1 . . . . 34 Ile CA . 17447 1 218 . 1 1 29 29 ILE CB C 13 37.829 0.064 . 1 . . . . 34 Ile CB . 17447 1 219 . 1 1 29 29 ILE CG1 C 13 24.851 0.078 . 1 . . . . 34 Ile CG1 . 17447 1 220 . 1 1 29 29 ILE CG2 C 13 18.326 0.057 . 1 . . . . 34 Ile CG2 . 17447 1 221 . 1 1 29 29 ILE CD1 C 13 14.456 0.009 . 1 . . . . 34 Ile CD1 . 17447 1 222 . 1 1 29 29 ILE N N 15 110.147 0.037 . 1 . . . . 34 Ile N . 17447 1 223 . 1 1 30 30 ASN H H 1 7.062 0.002 . 1 . . . . 35 Asn H . 17447 1 224 . 1 1 30 30 ASN HA H 1 4.381 0.001 . 1 . . . . 35 Asn HA . 17447 1 225 . 1 1 30 30 ASN HB2 H 1 2.730 0.002 . 2 . . . . 35 Asn HB2 . 17447 1 226 . 1 1 30 30 ASN HB3 H 1 2.686 0.011 . 2 . . . . 35 Asn HB3 . 17447 1 227 . 1 1 30 30 ASN HD21 H 1 7.755 0.002 . 2 . . . . 35 Asn HD21 . 17447 1 228 . 1 1 30 30 ASN HD22 H 1 7.202 0.004 . 2 . . . . 35 Asn HD22 . 17447 1 229 . 1 1 30 30 ASN C C 13 173.504 0.001 . 1 . . . . 35 Asn C . 17447 1 230 . 1 1 30 30 ASN CA C 13 55.040 0.012 . 1 . . . . 35 Asn CA . 17447 1 231 . 1 1 30 30 ASN CB C 13 41.311 0.045 . 1 . . . . 35 Asn CB . 17447 1 232 . 1 1 30 30 ASN N N 15 115.624 0.029 . 1 . . . . 35 Asn N . 17447 1 233 . 1 1 31 31 GLY H H 1 9.344 0.002 . 1 . . . . 36 Gly H . 17447 1 234 . 1 1 31 31 GLY HA2 H 1 4.364 0.001 . 2 . . . . 36 Gly HA2 . 17447 1 235 . 1 1 31 31 GLY HA3 H 1 3.770 0.001 . 2 . . . . 36 Gly HA3 . 17447 1 236 . 1 1 31 31 GLY C C 13 178.128 0.004 . 1 . . . . 36 Gly C . 17447 1 237 . 1 1 31 31 GLY CA C 13 44.574 0.013 . 1 . . . . 36 Gly CA . 17447 1 238 . 1 1 31 31 GLY N N 15 111.970 0.025 . 1 . . . . 36 Gly N . 17447 1 239 . 1 1 32 32 GLU H H 1 8.349 0.001 . 1 . . . . 37 Glu H . 17447 1 240 . 1 1 32 32 GLU HA H 1 4.480 0.005 . 1 . . . . 37 Glu HA . 17447 1 241 . 1 1 32 32 GLU HB2 H 1 1.786 0.007 . 2 . . . . 37 Glu HB2 . 17447 1 242 . 1 1 32 32 GLU HB3 H 1 2.205 0.018 . 2 . . . . 37 Glu HB3 . 17447 1 243 . 1 1 32 32 GLU HG2 H 1 2.217 0.001 . 2 . . . . 37 Glu HG2 . 17447 1 244 . 1 1 32 32 GLU HG3 H 1 1.959 0.001 . 2 . . . . 37 Glu HG3 . 17447 1 245 . 1 1 32 32 GLU C C 13 174.662 0.001 . 1 . . . . 37 Glu C . 17447 1 246 . 1 1 32 32 GLU CA C 13 57.046 0.016 . 1 . . . . 37 Glu CA . 17447 1 247 . 1 1 32 32 GLU CB C 13 30.399 0.054 . 1 . . . . 37 Glu CB . 17447 1 248 . 1 1 32 32 GLU CG C 13 36.536 0.044 . 1 . . . . 37 Glu CG . 17447 1 249 . 1 1 32 32 GLU N N 15 121.275 0.029 . 1 . . . . 37 Glu N . 17447 1 250 . 1 1 33 33 TRP H H 1 7.462 0.002 . 1 . . . . 38 Trp H . 17447 1 251 . 1 1 33 33 TRP HA H 1 4.780 0.003 . 1 . . . . 38 Trp HA . 17447 1 252 . 1 1 33 33 TRP HB2 H 1 2.025 0.003 . 2 . . . . 38 Trp HB2 . 17447 1 253 . 1 1 33 33 TRP HB3 H 1 3.039 0.005 . 2 . . . . 38 Trp HB3 . 17447 1 254 . 1 1 33 33 TRP HD1 H 1 6.684 0.001 . 1 . . . . 38 Trp HD1 . 17447 1 255 . 1 1 33 33 TRP HZ2 H 1 7.085 0.002 . 1 . . . . 38 Trp HZ2 . 17447 1 256 . 1 1 33 33 TRP HZ3 H 1 6.523 0.012 . 1 . . . . 38 Trp HZ3 . 17447 1 257 . 1 1 33 33 TRP HH2 H 1 6.466 0.004 . 1 . . . . 38 Trp HH2 . 17447 1 258 . 1 1 33 33 TRP C C 13 177.477 0.001 . 1 . . . . 38 Trp C . 17447 1 259 . 1 1 33 33 TRP CA C 13 55.715 0.046 . 1 . . . . 38 Trp CA . 17447 1 260 . 1 1 33 33 TRP CB C 13 37.318 0.020 . 1 . . . . 38 Trp CB . 17447 1 261 . 1 1 33 33 TRP CD1 C 13 126.849 0.001 . 1 . . . . 38 Trp CD1 . 17447 1 262 . 1 1 33 33 TRP CZ2 C 13 113.584 0.020 . 1 . . . . 38 Trp CZ2 . 17447 1 263 . 1 1 33 33 TRP CZ3 C 13 121.281 0.028 . 1 . . . . 38 Trp CZ3 . 17447 1 264 . 1 1 33 33 TRP CH2 C 13 123.481 0.034 . 1 . . . . 38 Trp CH2 . 17447 1 265 . 1 1 33 33 TRP N N 15 122.430 0.025 . 1 . . . . 38 Trp N . 17447 1 266 . 1 1 34 34 HIS H H 1 8.997 0.002 . 1 . . . . 39 His H . 17447 1 267 . 1 1 34 34 HIS HA H 1 5.137 0.003 . 1 . . . . 39 His HA . 17447 1 268 . 1 1 34 34 HIS HB2 H 1 2.840 0.005 . 2 . . . . 39 His HB2 . 17447 1 269 . 1 1 34 34 HIS HB3 H 1 2.971 0.001 . 2 . . . . 39 His HB3 . 17447 1 270 . 1 1 34 34 HIS HD2 H 1 6.554 0.001 . 1 . . . . 39 His HD2 . 17447 1 271 . 1 1 34 34 HIS C C 13 173.129 0.004 . 1 . . . . 39 His C . 17447 1 272 . 1 1 34 34 HIS CA C 13 55.220 0.033 . 1 . . . . 39 His CA . 17447 1 273 . 1 1 34 34 HIS CB C 13 33.618 0.034 . 1 . . . . 39 His CB . 17447 1 274 . 1 1 34 34 HIS N N 15 113.445 0.022 . 1 . . . . 39 His N . 17447 1 275 . 1 1 35 35 THR H H 1 10.433 0.004 . 1 . . . . 40 Thr H . 17447 1 276 . 1 1 35 35 THR HA H 1 4.326 0.003 . 1 . . . . 40 Thr HA . 17447 1 277 . 1 1 35 35 THR HB H 1 4.485 0.003 . 1 . . . . 40 Thr HB . 17447 1 278 . 1 1 35 35 THR HG21 H 1 1.004 0.003 . 1 . . . . 40 Thr HG21 . 17447 1 279 . 1 1 35 35 THR HG22 H 1 1.004 0.003 . 1 . . . . 40 Thr HG22 . 17447 1 280 . 1 1 35 35 THR HG23 H 1 1.004 0.003 . 1 . . . . 40 Thr HG23 . 17447 1 281 . 1 1 35 35 THR C C 13 177.829 0.003 . 1 . . . . 40 Thr C . 17447 1 282 . 1 1 35 35 THR CA C 13 65.085 0.033 . 1 . . . . 40 Thr CA . 17447 1 283 . 1 1 35 35 THR CB C 13 69.828 0.030 . 1 . . . . 40 Thr CB . 17447 1 284 . 1 1 35 35 THR CG2 C 13 22.459 0.074 . 1 . . . . 40 Thr CG2 . 17447 1 285 . 1 1 35 35 THR N N 15 121.982 0.034 . 1 . . . . 40 Thr N . 17447 1 286 . 1 1 36 36 ILE H H 1 8.975 0.003 . 1 . . . . 41 Ile H . 17447 1 287 . 1 1 36 36 ILE HA H 1 4.098 0.006 . 1 . . . . 41 Ile HA . 17447 1 288 . 1 1 36 36 ILE HB H 1 1.605 0.011 . 1 . . . . 41 Ile HB . 17447 1 289 . 1 1 36 36 ILE HG12 H 1 1.673 0.001 . 2 . . . . 41 Ile HG12 . 17447 1 290 . 1 1 36 36 ILE HG13 H 1 1.098 0.007 . 2 . . . . 41 Ile HG13 . 17447 1 291 . 1 1 36 36 ILE HG21 H 1 0.913 0.002 . 1 . . . . 41 Ile HG21 . 17447 1 292 . 1 1 36 36 ILE HG22 H 1 0.913 0.002 . 1 . . . . 41 Ile HG22 . 17447 1 293 . 1 1 36 36 ILE HG23 H 1 0.913 0.002 . 1 . . . . 41 Ile HG23 . 17447 1 294 . 1 1 36 36 ILE HD11 H 1 0.615 0.004 . 1 . . . . 41 Ile HD11 . 17447 1 295 . 1 1 36 36 ILE HD12 H 1 0.615 0.004 . 1 . . . . 41 Ile HD12 . 17447 1 296 . 1 1 36 36 ILE HD13 H 1 0.615 0.004 . 1 . . . . 41 Ile HD13 . 17447 1 297 . 1 1 36 36 ILE C C 13 175.940 0.008 . 1 . . . . 41 Ile C . 17447 1 298 . 1 1 36 36 ILE CA C 13 61.018 0.061 . 1 . . . . 41 Ile CA . 17447 1 299 . 1 1 36 36 ILE CB C 13 37.148 0.075 . 1 . . . . 41 Ile CB . 17447 1 300 . 1 1 36 36 ILE CG1 C 13 26.792 0.077 . 1 . . . . 41 Ile CG1 . 17447 1 301 . 1 1 36 36 ILE CG2 C 13 18.184 0.023 . 1 . . . . 41 Ile CG2 . 17447 1 302 . 1 1 36 36 ILE CD1 C 13 9.384 0.015 . 1 . . . . 41 Ile CD1 . 17447 1 303 . 1 1 36 36 ILE N N 15 127.642 0.022 . 1 . . . . 41 Ile N . 17447 1 304 . 1 1 37 37 ILE H H 1 7.448 0.002 . 1 . . . . 42 Ile H . 17447 1 305 . 1 1 37 37 ILE HA H 1 4.842 0.005 . 1 . . . . 42 Ile HA . 17447 1 306 . 1 1 37 37 ILE HB H 1 1.081 0.008 . 1 . . . . 42 Ile HB . 17447 1 307 . 1 1 37 37 ILE HG12 H 1 1.057 0.004 . 2 . . . . 42 Ile HG12 . 17447 1 308 . 1 1 37 37 ILE HG13 H 1 1.397 0.007 . 2 . . . . 42 Ile HG13 . 17447 1 309 . 1 1 37 37 ILE HG21 H 1 0.830 0.004 . 1 . . . . 42 Ile HG21 . 17447 1 310 . 1 1 37 37 ILE HG22 H 1 0.830 0.004 . 1 . . . . 42 Ile HG22 . 17447 1 311 . 1 1 37 37 ILE HG23 H 1 0.830 0.004 . 1 . . . . 42 Ile HG23 . 17447 1 312 . 1 1 37 37 ILE HD11 H 1 0.717 0.007 . 1 . . . . 42 Ile HD11 . 17447 1 313 . 1 1 37 37 ILE HD12 H 1 0.717 0.007 . 1 . . . . 42 Ile HD12 . 17447 1 314 . 1 1 37 37 ILE HD13 H 1 0.717 0.007 . 1 . . . . 42 Ile HD13 . 17447 1 315 . 1 1 37 37 ILE C C 13 175.989 0.012 . 1 . . . . 42 Ile C . 17447 1 316 . 1 1 37 37 ILE CA C 13 59.557 0.064 . 1 . . . . 42 Ile CA . 17447 1 317 . 1 1 37 37 ILE CB C 13 41.589 0.058 . 1 . . . . 42 Ile CB . 17447 1 318 . 1 1 37 37 ILE CG1 C 13 27.996 0.070 . 1 . . . . 42 Ile CG1 . 17447 1 319 . 1 1 37 37 ILE CG2 C 13 21.081 0.026 . 1 . . . . 42 Ile CG2 . 17447 1 320 . 1 1 37 37 ILE CD1 C 13 13.162 0.013 . 1 . . . . 42 Ile CD1 . 17447 1 321 . 1 1 37 37 ILE N N 15 114.652 0.017 . 1 . . . . 42 Ile N . 17447 1 322 . 1 1 38 38 LEU H H 1 8.260 0.002 . 1 . . . . 43 Leu H . 17447 1 323 . 1 1 38 38 LEU HA H 1 5.241 0.009 . 1 . . . . 43 Leu HA . 17447 1 324 . 1 1 38 38 LEU HB2 H 1 1.554 0.009 . 2 . . . . 43 Leu HB2 . 17447 1 325 . 1 1 38 38 LEU HB3 H 1 1.342 0.008 . 2 . . . . 43 Leu HB3 . 17447 1 326 . 1 1 38 38 LEU HG H 1 1.358 0.014 . 1 . . . . 43 Leu HG . 17447 1 327 . 1 1 38 38 LEU HD11 H 1 0.921 0.005 . 2 . . . . 43 Leu HD11 . 17447 1 328 . 1 1 38 38 LEU HD12 H 1 0.921 0.005 . 2 . . . . 43 Leu HD12 . 17447 1 329 . 1 1 38 38 LEU HD13 H 1 0.921 0.005 . 2 . . . . 43 Leu HD13 . 17447 1 330 . 1 1 38 38 LEU HD21 H 1 1.128 0.003 . 2 . . . . 43 Leu HD21 . 17447 1 331 . 1 1 38 38 LEU HD22 H 1 1.128 0.003 . 2 . . . . 43 Leu HD22 . 17447 1 332 . 1 1 38 38 LEU HD23 H 1 1.128 0.003 . 2 . . . . 43 Leu HD23 . 17447 1 333 . 1 1 38 38 LEU C C 13 176.477 0.002 . 1 . . . . 43 Leu C . 17447 1 334 . 1 1 38 38 LEU CA C 13 53.534 0.006 . 1 . . . . 43 Leu CA . 17447 1 335 . 1 1 38 38 LEU CB C 13 47.160 0.033 . 1 . . . . 43 Leu CB . 17447 1 336 . 1 1 38 38 LEU CG C 13 26.839 0.062 . 1 . . . . 43 Leu CG . 17447 1 337 . 1 1 38 38 LEU CD1 C 13 25.780 0.015 . 2 . . . . 43 Leu CD1 . 17447 1 338 . 1 1 38 38 LEU CD2 C 13 23.212 0.048 . 2 . . . . 43 Leu CD2 . 17447 1 339 . 1 1 38 38 LEU N N 15 122.911 0.019 . 1 . . . . 43 Leu N . 17447 1 340 . 1 1 39 39 ALA H H 1 9.053 0.002 . 1 . . . . 44 Ala H . 17447 1 341 . 1 1 39 39 ALA HA H 1 5.389 0.002 . 1 . . . . 44 Ala HA . 17447 1 342 . 1 1 39 39 ALA HB1 H 1 1.394 0.002 . 1 . . . . 44 Ala HB1 . 17447 1 343 . 1 1 39 39 ALA HB2 H 1 1.394 0.002 . 1 . . . . 44 Ala HB2 . 17447 1 344 . 1 1 39 39 ALA HB3 H 1 1.394 0.002 . 1 . . . . 44 Ala HB3 . 17447 1 345 . 1 1 39 39 ALA C C 13 174.415 0.008 . 1 . . . . 44 Ala C . 17447 1 346 . 1 1 39 39 ALA CA C 13 50.673 0.021 . 1 . . . . 44 Ala CA . 17447 1 347 . 1 1 39 39 ALA CB C 13 26.559 0.013 . 1 . . . . 44 Ala CB . 17447 1 348 . 1 1 39 39 ALA N N 15 122.360 0.027 . 1 . . . . 44 Ala N . 17447 1 349 . 1 1 40 40 SER H H 1 7.278 0.003 . 1 . . . . 45 Ser H . 17447 1 350 . 1 1 40 40 SER HA H 1 5.324 0.003 . 1 . . . . 45 Ser HA . 17447 1 351 . 1 1 40 40 SER HB2 H 1 3.907 0.005 . 2 . . . . 45 Ser HB2 . 17447 1 352 . 1 1 40 40 SER HB3 H 1 3.041 0.001 . 2 . . . . 45 Ser HB3 . 17447 1 353 . 1 1 40 40 SER C C 13 176.837 0.003 . 1 . . . . 45 Ser C . 17447 1 354 . 1 1 40 40 SER CA C 13 56.180 0.016 . 1 . . . . 45 Ser CA . 17447 1 355 . 1 1 40 40 SER CB C 13 66.397 0.022 . 1 . . . . 45 Ser CB . 17447 1 356 . 1 1 40 40 SER N N 15 112.270 0.022 . 1 . . . . 45 Ser N . 17447 1 357 . 1 1 41 41 ASP H H 1 8.679 0.001 . 1 . . . . 46 Asp H . 17447 1 358 . 1 1 41 41 ASP HA H 1 4.688 0.001 . 1 . . . . 46 Asp HA . 17447 1 359 . 1 1 41 41 ASP HB2 H 1 3.109 0.002 . 2 . . . . 46 Asp HB2 . 17447 1 360 . 1 1 41 41 ASP HB3 H 1 2.564 0.001 . 2 . . . . 46 Asp HB3 . 17447 1 361 . 1 1 41 41 ASP C C 13 174.195 0.007 . 1 . . . . 46 Asp C . 17447 1 362 . 1 1 41 41 ASP CA C 13 54.858 0.024 . 1 . . . . 46 Asp CA . 17447 1 363 . 1 1 41 41 ASP CB C 13 39.751 0.021 . 1 . . . . 46 Asp CB . 17447 1 364 . 1 1 41 41 ASP N N 15 122.808 0.022 . 1 . . . . 46 Asp N . 17447 1 365 . 1 1 42 42 LYS H H 1 8.203 0.002 . 1 . . . . 47 Lys H . 17447 1 366 . 1 1 42 42 LYS HA H 1 4.517 0.004 . 1 . . . . 47 Lys HA . 17447 1 367 . 1 1 42 42 LYS HB2 H 1 1.161 0.008 . 2 . . . . 47 Lys HB2 . 17447 1 368 . 1 1 42 42 LYS HB3 H 1 1.356 0.005 . 2 . . . . 47 Lys HB3 . 17447 1 369 . 1 1 42 42 LYS HG2 H 1 1.259 0.003 . 2 . . . . 47 Lys HG2 . 17447 1 370 . 1 1 42 42 LYS HG3 H 1 1.132 0.009 . 2 . . . . 47 Lys HG3 . 17447 1 371 . 1 1 42 42 LYS HD2 H 1 1.422 0.004 . 2 . . . . 47 Lys HD2 . 17447 1 372 . 1 1 42 42 LYS HE2 H 1 2.937 0.002 . 2 . . . . 47 Lys HE2 . 17447 1 373 . 1 1 42 42 LYS C C 13 174.602 0.008 . 1 . . . . 47 Lys C . 17447 1 374 . 1 1 42 42 LYS CA C 13 55.443 0.053 . 1 . . . . 47 Lys CA . 17447 1 375 . 1 1 42 42 LYS CB C 13 32.553 0.072 . 1 . . . . 47 Lys CB . 17447 1 376 . 1 1 42 42 LYS CG C 13 25.352 0.071 . 1 . . . . 47 Lys CG . 17447 1 377 . 1 1 42 42 LYS CD C 13 29.501 0.035 . 1 . . . . 47 Lys CD . 17447 1 378 . 1 1 42 42 LYS CE C 13 42.126 0.019 . 1 . . . . 47 Lys CE . 17447 1 379 . 1 1 42 42 LYS N N 15 122.501 0.019 . 1 . . . . 47 Lys N . 17447 1 380 . 1 1 43 43 ARG H H 1 8.600 0.003 . 1 . . . . 48 Arg H . 17447 1 381 . 1 1 43 43 ARG HA H 1 3.360 0.002 . 1 . . . . 48 Arg HA . 17447 1 382 . 1 1 43 43 ARG HB2 H 1 1.661 0.001 . 2 . . . . 48 Arg HB2 . 17447 1 383 . 1 1 43 43 ARG HB3 H 1 1.637 0.008 . 2 . . . . 48 Arg HB3 . 17447 1 384 . 1 1 43 43 ARG HG2 H 1 1.248 0.006 . 2 . . . . 48 Arg HG2 . 17447 1 385 . 1 1 43 43 ARG HG3 H 1 1.855 0.002 . 2 . . . . 48 Arg HG3 . 17447 1 386 . 1 1 43 43 ARG HD2 H 1 3.254 0.003 . 2 . . . . 48 Arg HD2 . 17447 1 387 . 1 1 43 43 ARG HD3 H 1 3.139 0.001 . 2 . . . . 48 Arg HD3 . 17447 1 388 . 1 1 43 43 ARG C C 13 173.220 0.001 . 1 . . . . 48 Arg C . 17447 1 389 . 1 1 43 43 ARG CA C 13 60.455 0.016 . 1 . . . . 48 Arg CA . 17447 1 390 . 1 1 43 43 ARG CB C 13 30.576 0.066 . 1 . . . . 48 Arg CB . 17447 1 391 . 1 1 43 43 ARG CG C 13 29.175 0.030 . 1 . . . . 48 Arg CG . 17447 1 392 . 1 1 43 43 ARG CD C 13 43.269 0.020 . 1 . . . . 48 Arg CD . 17447 1 393 . 1 1 43 43 ARG N N 15 127.140 0.020 . 1 . . . . 48 Arg N . 17447 1 394 . 1 1 44 44 GLU H H 1 9.343 0.001 . 1 . . . . 49 Glu H . 17447 1 395 . 1 1 44 44 GLU HA H 1 4.019 0.001 . 1 . . . . 49 Glu HA . 17447 1 396 . 1 1 44 44 GLU HB3 H 1 1.909 0.002 . 2 . . . . 49 Glu HB3 . 17447 1 397 . 1 1 44 44 GLU HG2 H 1 2.118 0.002 . 2 . . . . 49 Glu HG2 . 17447 1 398 . 1 1 44 44 GLU HG3 H 1 1.973 0.005 . 2 . . . . 49 Glu HG3 . 17447 1 399 . 1 1 44 44 GLU C C 13 171.973 0.006 . 1 . . . . 49 Glu C . 17447 1 400 . 1 1 44 44 GLU CA C 13 58.790 0.034 . 1 . . . . 49 Glu CA . 17447 1 401 . 1 1 44 44 GLU CB C 13 27.981 0.077 . 1 . . . . 49 Glu CB . 17447 1 402 . 1 1 44 44 GLU CG C 13 35.509 0.010 . 1 . . . . 49 Glu CG . 17447 1 403 . 1 1 44 44 GLU N N 15 114.782 0.011 . 1 . . . . 49 Glu N . 17447 1 404 . 1 1 45 45 LYS H H 1 7.435 0.002 . 1 . . . . 50 Lys H . 17447 1 405 . 1 1 45 45 LYS HA H 1 4.082 0.004 . 1 . . . . 50 Lys HA . 17447 1 406 . 1 1 45 45 LYS HB2 H 1 1.511 0.005 . 2 . . . . 50 Lys HB2 . 17447 1 407 . 1 1 45 45 LYS HB3 H 1 1.438 0.001 . 2 . . . . 50 Lys HB3 . 17447 1 408 . 1 1 45 45 LYS HG2 H 1 1.112 0.003 . 2 . . . . 50 Lys HG2 . 17447 1 409 . 1 1 45 45 LYS HG3 H 1 1.260 0.003 . 2 . . . . 50 Lys HG3 . 17447 1 410 . 1 1 45 45 LYS HD2 H 1 1.445 0.001 . 2 . . . . 50 Lys HD2 . 17447 1 411 . 1 1 45 45 LYS HD3 H 1 1.508 0.001 . 2 . . . . 50 Lys HD3 . 17447 1 412 . 1 1 45 45 LYS HE2 H 1 2.718 0.013 . 2 . . . . 50 Lys HE2 . 17447 1 413 . 1 1 45 45 LYS HE3 H 1 2.756 0.005 . 2 . . . . 50 Lys HE3 . 17447 1 414 . 1 1 45 45 LYS C C 13 173.244 0.004 . 1 . . . . 50 Lys C . 17447 1 415 . 1 1 45 45 LYS CA C 13 56.773 0.028 . 1 . . . . 50 Lys CA . 17447 1 416 . 1 1 45 45 LYS CB C 13 31.898 0.072 . 1 . . . . 50 Lys CB . 17447 1 417 . 1 1 45 45 LYS CG C 13 24.962 0.033 . 1 . . . . 50 Lys CG . 17447 1 418 . 1 1 45 45 LYS CD C 13 29.278 0.007 . 1 . . . . 50 Lys CD . 17447 1 419 . 1 1 45 45 LYS CE C 13 41.886 0.016 . 1 . . . . 50 Lys CE . 17447 1 420 . 1 1 45 45 LYS N N 15 116.319 0.022 . 1 . . . . 50 Lys N . 17447 1 421 . 1 1 46 46 ILE H H 1 7.458 0.003 . 1 . . . . 51 Ile H . 17447 1 422 . 1 1 46 46 ILE HA H 1 4.257 0.004 . 1 . . . . 51 Ile HA . 17447 1 423 . 1 1 46 46 ILE HB H 1 1.976 0.006 . 1 . . . . 51 Ile HB . 17447 1 424 . 1 1 46 46 ILE HG12 H 1 0.833 0.003 . 2 . . . . 51 Ile HG12 . 17447 1 425 . 1 1 46 46 ILE HG13 H 1 1.404 0.002 . 2 . . . . 51 Ile HG13 . 17447 1 426 . 1 1 46 46 ILE HG21 H 1 0.621 0.003 . 1 . . . . 51 Ile HG21 . 17447 1 427 . 1 1 46 46 ILE HG22 H 1 0.621 0.003 . 1 . . . . 51 Ile HG22 . 17447 1 428 . 1 1 46 46 ILE HG23 H 1 0.621 0.003 . 1 . . . . 51 Ile HG23 . 17447 1 429 . 1 1 46 46 ILE HD11 H 1 0.678 0.003 . 1 . . . . 51 Ile HD11 . 17447 1 430 . 1 1 46 46 ILE HD12 H 1 0.678 0.003 . 1 . . . . 51 Ile HD12 . 17447 1 431 . 1 1 46 46 ILE HD13 H 1 0.678 0.003 . 1 . . . . 51 Ile HD13 . 17447 1 432 . 1 1 46 46 ILE C C 13 175.225 0.003 . 1 . . . . 51 Ile C . 17447 1 433 . 1 1 46 46 ILE CA C 13 60.878 0.011 . 1 . . . . 51 Ile CA . 17447 1 434 . 1 1 46 46 ILE CB C 13 38.762 0.062 . 1 . . . . 51 Ile CB . 17447 1 435 . 1 1 46 46 ILE CG2 C 13 19.306 0.025 . 1 . . . . 51 Ile CG2 . 17447 1 436 . 1 1 46 46 ILE CD1 C 13 14.938 0.013 . 1 . . . . 51 Ile CD1 . 17447 1 437 . 1 1 46 46 ILE N N 15 106.276 0.027 . 1 . . . . 51 Ile N . 17447 1 438 . 1 1 47 47 GLU H H 1 6.566 0.001 . 1 . . . . 52 Glu H . 17447 1 439 . 1 1 47 47 GLU HA H 1 4.055 0.002 . 1 . . . . 52 Glu HA . 17447 1 440 . 1 1 47 47 GLU HB2 H 1 1.801 0.004 . 2 . . . . 52 Glu HB2 . 17447 1 441 . 1 1 47 47 GLU HB3 H 1 2.165 0.007 . 2 . . . . 52 Glu HB3 . 17447 1 442 . 1 1 47 47 GLU HG2 H 1 2.153 0.001 . 2 . . . . 52 Glu HG2 . 17447 1 443 . 1 1 47 47 GLU HG3 H 1 2.560 0.003 . 2 . . . . 52 Glu HG3 . 17447 1 444 . 1 1 47 47 GLU C C 13 175.081 0.011 . 1 . . . . 52 Glu C . 17447 1 445 . 1 1 47 47 GLU CA C 13 56.491 0.025 . 1 . . . . 52 Glu CA . 17447 1 446 . 1 1 47 47 GLU CB C 13 31.203 0.025 . 1 . . . . 52 Glu CB . 17447 1 447 . 1 1 47 47 GLU CG C 13 37.216 0.023 . 1 . . . . 52 Glu CG . 17447 1 448 . 1 1 47 47 GLU N N 15 121.230 0.017 . 1 . . . . 52 Glu N . 17447 1 449 . 1 1 48 48 ASP H H 1 8.372 0.002 . 1 . . . . 53 Asp H . 17447 1 450 . 1 1 48 48 ASP HA H 1 4.051 0.001 . 1 . . . . 53 Asp HA . 17447 1 451 . 1 1 48 48 ASP HB2 H 1 2.498 0.002 . 2 . . . . 53 Asp HB2 . 17447 1 452 . 1 1 48 48 ASP C C 13 173.230 0.005 . 1 . . . . 53 Asp C . 17447 1 453 . 1 1 48 48 ASP CA C 13 57.740 0.023 . 1 . . . . 53 Asp CA . 17447 1 454 . 1 1 48 48 ASP CB C 13 40.804 0.024 . 1 . . . . 53 Asp CB . 17447 1 455 . 1 1 48 48 ASP N N 15 118.027 0.017 . 1 . . . . 53 Asp N . 17447 1 456 . 1 1 49 49 ASN H H 1 8.915 0.002 . 1 . . . . 54 Asn H . 17447 1 457 . 1 1 49 49 ASN HA H 1 4.598 0.006 . 1 . . . . 54 Asn HA . 17447 1 458 . 1 1 49 49 ASN HB2 H 1 2.946 0.005 . 2 . . . . 54 Asn HB2 . 17447 1 459 . 1 1 49 49 ASN HD21 H 1 7.464 0.001 . 2 . . . . 54 Asn HD21 . 17447 1 460 . 1 1 49 49 ASN HD22 H 1 6.962 0.001 . 2 . . . . 54 Asn HD22 . 17447 1 461 . 1 1 49 49 ASN C C 13 175.181 0.004 . 1 . . . . 54 Asn C . 17447 1 462 . 1 1 49 49 ASN CA C 13 54.304 0.019 . 1 . . . . 54 Asn CA . 17447 1 463 . 1 1 49 49 ASN CB C 13 37.741 0.030 . 1 . . . . 54 Asn CB . 17447 1 464 . 1 1 49 49 ASN N N 15 116.880 0.022 . 1 . . . . 54 Asn N . 17447 1 465 . 1 1 50 50 GLY H H 1 8.767 0.001 . 1 . . . . 55 Gly H . 17447 1 466 . 1 1 50 50 GLY HA2 H 1 4.046 0.001 . 2 . . . . 55 Gly HA2 . 17447 1 467 . 1 1 50 50 GLY HA3 H 1 3.568 0.001 . 2 . . . . 55 Gly HA3 . 17447 1 468 . 1 1 50 50 GLY C C 13 173.789 0.008 . 1 . . . . 55 Gly C . 17447 1 469 . 1 1 50 50 GLY CA C 13 45.278 0.002 . 1 . . . . 55 Gly CA . 17447 1 470 . 1 1 50 50 GLY N N 15 109.843 0.009 . 1 . . . . 55 Gly N . 17447 1 471 . 1 1 51 51 ASN H H 1 9.302 0.003 . 1 . . . . 56 Asn H . 17447 1 472 . 1 1 51 51 ASN HA H 1 4.412 0.002 . 1 . . . . 56 Asn HA . 17447 1 473 . 1 1 51 51 ASN HB2 H 1 2.663 0.004 . 2 . . . . 56 Asn HB2 . 17447 1 474 . 1 1 51 51 ASN HB3 H 1 2.433 0.003 . 2 . . . . 56 Asn HB3 . 17447 1 475 . 1 1 51 51 ASN HD21 H 1 7.332 0.003 . 2 . . . . 56 Asn HD21 . 17447 1 476 . 1 1 51 51 ASN HD22 H 1 6.926 0.005 . 2 . . . . 56 Asn HD22 . 17447 1 477 . 1 1 51 51 ASN C C 13 174.915 0.003 . 1 . . . . 56 Asn C . 17447 1 478 . 1 1 51 51 ASN CA C 13 54.471 0.060 . 1 . . . . 56 Asn CA . 17447 1 479 . 1 1 51 51 ASN CB C 13 36.879 0.071 . 1 . . . . 56 Asn CB . 17447 1 480 . 1 1 51 51 ASN N N 15 121.375 0.031 . 1 . . . . 56 Asn N . 17447 1 481 . 1 1 51 51 ASN ND2 N 15 111.302 0.058 . 1 . . . . 56 Asn ND2 . 17447 1 482 . 1 1 52 52 PHE H H 1 8.534 0.002 . 1 . . . . 57 Phe H . 17447 1 483 . 1 1 52 52 PHE HA H 1 4.283 0.001 . 1 . . . . 57 Phe HA . 17447 1 484 . 1 1 52 52 PHE HB2 H 1 2.431 0.001 . 2 . . . . 57 Phe HB2 . 17447 1 485 . 1 1 52 52 PHE HB3 H 1 3.280 0.001 . 2 . . . . 57 Phe HB3 . 17447 1 486 . 1 1 52 52 PHE HD1 H 1 7.020 0.007 . 3 . . . . 57 Phe HD1 . 17447 1 487 . 1 1 52 52 PHE HD2 H 1 7.020 0.007 . 3 . . . . 57 Phe HD2 . 17447 1 488 . 1 1 52 52 PHE HE1 H 1 7.535 0.001 . 3 . . . . 57 Phe HE1 . 17447 1 489 . 1 1 52 52 PHE HE2 H 1 7.535 0.001 . 3 . . . . 57 Phe HE2 . 17447 1 490 . 1 1 52 52 PHE C C 13 175.998 0.013 . 1 . . . . 57 Phe C . 17447 1 491 . 1 1 52 52 PHE CA C 13 58.179 0.017 . 1 . . . . 57 Phe CA . 17447 1 492 . 1 1 52 52 PHE CB C 13 37.527 0.058 . 1 . . . . 57 Phe CB . 17447 1 493 . 1 1 52 52 PHE CD1 C 13 130.890 0.056 . 3 . . . . 57 Phe CD1 . 17447 1 494 . 1 1 52 52 PHE CD2 C 13 130.890 0.056 . 3 . . . . 57 Phe CD2 . 17447 1 495 . 1 1 52 52 PHE CE1 C 13 132.359 0.001 . 3 . . . . 57 Phe CE1 . 17447 1 496 . 1 1 52 52 PHE CE2 C 13 132.359 0.001 . 3 . . . . 57 Phe CE2 . 17447 1 497 . 1 1 52 52 PHE N N 15 115.203 0.016 . 1 . . . . 57 Phe N . 17447 1 498 . 1 1 53 53 ARG H H 1 7.080 0.002 . 1 . . . . 58 Arg H . 17447 1 499 . 1 1 53 53 ARG HA H 1 3.888 0.003 . 1 . . . . 58 Arg HA . 17447 1 500 . 1 1 53 53 ARG HB2 H 1 1.152 0.001 . 2 . . . . 58 Arg HB2 . 17447 1 501 . 1 1 53 53 ARG HB3 H 1 1.887 0.003 . 2 . . . . 58 Arg HB3 . 17447 1 502 . 1 1 53 53 ARG C C 13 177.669 0.011 . 1 . . . . 58 Arg C . 17447 1 503 . 1 1 53 53 ARG CA C 13 54.995 0.040 . 1 . . . . 58 Arg CA . 17447 1 504 . 1 1 53 53 ARG CB C 13 27.761 0.059 . 1 . . . . 58 Arg CB . 17447 1 505 . 1 1 53 53 ARG N N 15 124.147 0.017 . 1 . . . . 58 Arg N . 17447 1 506 . 1 1 54 54 LEU H H 1 6.610 0.003 . 1 . . . . 59 Leu H . 17447 1 507 . 1 1 54 54 LEU HA H 1 4.173 0.002 . 1 . . . . 59 Leu HA . 17447 1 508 . 1 1 54 54 LEU HB2 H 1 1.044 0.004 . 2 . . . . 59 Leu HB2 . 17447 1 509 . 1 1 54 54 LEU HB3 H 1 0.523 0.004 . 2 . . . . 59 Leu HB3 . 17447 1 510 . 1 1 54 54 LEU HG H 1 0.630 0.010 . 1 . . . . 59 Leu HG . 17447 1 511 . 1 1 54 54 LEU HD11 H 1 -0.415 0.002 . 2 . . . . 59 Leu HD11 . 17447 1 512 . 1 1 54 54 LEU HD12 H 1 -0.415 0.002 . 2 . . . . 59 Leu HD12 . 17447 1 513 . 1 1 54 54 LEU HD13 H 1 -0.415 0.002 . 2 . . . . 59 Leu HD13 . 17447 1 514 . 1 1 54 54 LEU HD21 H 1 -0.013 0.002 . 2 . . . . 59 Leu HD21 . 17447 1 515 . 1 1 54 54 LEU HD22 H 1 -0.013 0.002 . 2 . . . . 59 Leu HD22 . 17447 1 516 . 1 1 54 54 LEU HD23 H 1 -0.013 0.002 . 2 . . . . 59 Leu HD23 . 17447 1 517 . 1 1 54 54 LEU C C 13 174.188 0.005 . 1 . . . . 59 Leu C . 17447 1 518 . 1 1 54 54 LEU CA C 13 53.199 0.036 . 1 . . . . 59 Leu CA . 17447 1 519 . 1 1 54 54 LEU CB C 13 45.020 0.026 . 1 . . . . 59 Leu CB . 17447 1 520 . 1 1 54 54 LEU CG C 13 25.849 0.079 . 1 . . . . 59 Leu CG . 17447 1 521 . 1 1 54 54 LEU CD1 C 13 23.777 0.037 . 2 . . . . 59 Leu CD1 . 17447 1 522 . 1 1 54 54 LEU CD2 C 13 22.824 0.011 . 2 . . . . 59 Leu CD2 . 17447 1 523 . 1 1 54 54 LEU N N 15 124.004 0.033 . 1 . . . . 59 Leu N . 17447 1 524 . 1 1 55 55 PHE H H 1 8.630 0.006 . 1 . . . . 60 Phe H . 17447 1 525 . 1 1 55 55 PHE C C 13 175.359 0.018 . 1 . . . . 60 Phe C . 17447 1 526 . 1 1 55 55 PHE N N 15 124.251 0.029 . 1 . . . . 60 Phe N . 17447 1 527 . 1 1 56 56 LEU H H 1 8.424 0.003 . 1 . . . . 61 Leu H . 17447 1 528 . 1 1 56 56 LEU HA H 1 3.821 0.005 . 1 . . . . 61 Leu HA . 17447 1 529 . 1 1 56 56 LEU HB2 H 1 1.536 0.002 . 2 . . . . 61 Leu HB2 . 17447 1 530 . 1 1 56 56 LEU HB3 H 1 1.011 0.010 . 2 . . . . 61 Leu HB3 . 17447 1 531 . 1 1 56 56 LEU HG H 1 0.954 0.001 . 1 . . . . 61 Leu HG . 17447 1 532 . 1 1 56 56 LEU HD11 H 1 -0.338 0.005 . 2 . . . . 61 Leu HD11 . 17447 1 533 . 1 1 56 56 LEU HD12 H 1 -0.338 0.005 . 2 . . . . 61 Leu HD12 . 17447 1 534 . 1 1 56 56 LEU HD13 H 1 -0.338 0.005 . 2 . . . . 61 Leu HD13 . 17447 1 535 . 1 1 56 56 LEU HD21 H 1 -0.186 0.005 . 2 . . . . 61 Leu HD21 . 17447 1 536 . 1 1 56 56 LEU HD22 H 1 -0.186 0.005 . 2 . . . . 61 Leu HD22 . 17447 1 537 . 1 1 56 56 LEU HD23 H 1 -0.186 0.005 . 2 . . . . 61 Leu HD23 . 17447 1 538 . 1 1 56 56 LEU C C 13 175.801 0.009 . 1 . . . . 61 Leu C . 17447 1 539 . 1 1 56 56 LEU CA C 13 56.313 0.024 . 1 . . . . 61 Leu CA . 17447 1 540 . 1 1 56 56 LEU CB C 13 42.799 0.073 . 1 . . . . 61 Leu CB . 17447 1 541 . 1 1 56 56 LEU CG C 13 26.776 0.028 . 1 . . . . 61 Leu CG . 17447 1 542 . 1 1 56 56 LEU CD1 C 13 25.192 0.035 . 2 . . . . 61 Leu CD1 . 17447 1 543 . 1 1 56 56 LEU CD2 C 13 21.271 0.036 . 2 . . . . 61 Leu CD2 . 17447 1 544 . 1 1 56 56 LEU N N 15 129.428 0.038 . 1 . . . . 61 Leu N . 17447 1 545 . 1 1 57 57 GLU H H 1 8.996 0.003 . 1 . . . . 62 Glu H . 17447 1 546 . 1 1 57 57 GLU HA H 1 4.892 0.010 . 1 . . . . 62 Glu HA . 17447 1 547 . 1 1 57 57 GLU HB2 H 1 1.692 0.010 . 2 . . . . 62 Glu HB2 . 17447 1 548 . 1 1 57 57 GLU HB3 H 1 1.939 0.006 . 2 . . . . 62 Glu HB3 . 17447 1 549 . 1 1 57 57 GLU HG2 H 1 2.266 0.004 . 2 . . . . 62 Glu HG2 . 17447 1 550 . 1 1 57 57 GLU HG3 H 1 2.359 0.010 . 2 . . . . 62 Glu HG3 . 17447 1 551 . 1 1 57 57 GLU C C 13 173.370 0.010 . 1 . . . . 62 Glu C . 17447 1 552 . 1 1 57 57 GLU CA C 13 56.115 0.048 . 1 . . . . 62 Glu CA . 17447 1 553 . 1 1 57 57 GLU CB C 13 32.588 0.066 . 1 . . . . 62 Glu CB . 17447 1 554 . 1 1 57 57 GLU CG C 13 35.476 0.068 . 1 . . . . 62 Glu CG . 17447 1 555 . 1 1 57 57 GLU N N 15 121.283 0.028 . 1 . . . . 62 Glu N . 17447 1 556 . 1 1 58 58 GLN H H 1 7.298 0.003 . 1 . . . . 63 Gln H . 17447 1 557 . 1 1 58 58 GLN HA H 1 5.140 0.002 . 1 . . . . 63 Gln HA . 17447 1 558 . 1 1 58 58 GLN HB2 H 1 2.031 0.005 . 2 . . . . 63 Gln HB2 . 17447 1 559 . 1 1 58 58 GLN HG2 H 1 1.659 0.002 . 2 . . . . 63 Gln HG2 . 17447 1 560 . 1 1 58 58 GLN HG3 H 1 1.758 0.004 . 2 . . . . 63 Gln HG3 . 17447 1 561 . 1 1 58 58 GLN HE21 H 1 7.583 0.003 . 2 . . . . 63 Gln HE21 . 17447 1 562 . 1 1 58 58 GLN HE22 H 1 6.678 0.001 . 2 . . . . 63 Gln HE22 . 17447 1 563 . 1 1 58 58 GLN C C 13 176.622 0.002 . 1 . . . . 63 Gln C . 17447 1 564 . 1 1 58 58 GLN CA C 13 54.550 0.009 . 1 . . . . 63 Gln CA . 17447 1 565 . 1 1 58 58 GLN CB C 13 33.689 0.031 . 1 . . . . 63 Gln CB . 17447 1 566 . 1 1 58 58 GLN CG C 13 33.740 0.014 . 1 . . . . 63 Gln CG . 17447 1 567 . 1 1 58 58 GLN N N 15 114.556 0.040 . 1 . . . . 63 Gln N . 17447 1 568 . 1 1 58 58 GLN NE2 N 15 111.153 0.016 . 1 . . . . 63 Gln NE2 . 17447 1 569 . 1 1 59 59 ILE H H 1 8.750 0.002 . 1 . . . . 64 Ile H . 17447 1 570 . 1 1 59 59 ILE HA H 1 4.547 0.005 . 1 . . . . 64 Ile HA . 17447 1 571 . 1 1 59 59 ILE HB H 1 1.871 0.002 . 1 . . . . 64 Ile HB . 17447 1 572 . 1 1 59 59 ILE HG12 H 1 1.351 0.003 . 2 . . . . 64 Ile HG12 . 17447 1 573 . 1 1 59 59 ILE HG21 H 1 0.491 0.005 . 1 . . . . 64 Ile HG21 . 17447 1 574 . 1 1 59 59 ILE HG22 H 1 0.491 0.005 . 1 . . . . 64 Ile HG22 . 17447 1 575 . 1 1 59 59 ILE HG23 H 1 0.491 0.005 . 1 . . . . 64 Ile HG23 . 17447 1 576 . 1 1 59 59 ILE HD11 H 1 0.052 0.003 . 1 . . . . 64 Ile HD11 . 17447 1 577 . 1 1 59 59 ILE HD12 H 1 0.052 0.003 . 1 . . . . 64 Ile HD12 . 17447 1 578 . 1 1 59 59 ILE HD13 H 1 0.052 0.003 . 1 . . . . 64 Ile HD13 . 17447 1 579 . 1 1 59 59 ILE C C 13 175.211 0.008 . 1 . . . . 64 Ile C . 17447 1 580 . 1 1 59 59 ILE CA C 13 60.944 0.018 . 1 . . . . 64 Ile CA . 17447 1 581 . 1 1 59 59 ILE CB C 13 40.015 0.070 . 1 . . . . 64 Ile CB . 17447 1 582 . 1 1 59 59 ILE CG1 C 13 27.455 0.001 . 1 . . . . 64 Ile CG1 . 17447 1 583 . 1 1 59 59 ILE CG2 C 13 17.362 0.038 . 1 . . . . 64 Ile CG2 . 17447 1 584 . 1 1 59 59 ILE CD1 C 13 11.537 0.032 . 1 . . . . 64 Ile CD1 . 17447 1 585 . 1 1 59 59 ILE N N 15 120.603 0.027 . 1 . . . . 64 Ile N . 17447 1 586 . 1 1 60 60 HIS H H 1 9.349 0.002 . 1 . . . . 65 His H . 17447 1 587 . 1 1 60 60 HIS HA H 1 5.366 0.014 . 1 . . . . 65 His HA . 17447 1 588 . 1 1 60 60 HIS HB2 H 1 2.894 0.003 . 2 . . . . 65 His HB2 . 17447 1 589 . 1 1 60 60 HIS HB3 H 1 3.053 0.013 . 2 . . . . 65 His HB3 . 17447 1 590 . 1 1 60 60 HIS HD2 H 1 6.776 0.001 . 1 . . . . 65 His HD2 . 17447 1 591 . 1 1 60 60 HIS C C 13 176.117 0.007 . 1 . . . . 65 His C . 17447 1 592 . 1 1 60 60 HIS CA C 13 53.485 0.049 . 1 . . . . 65 His CA . 17447 1 593 . 1 1 60 60 HIS CB C 13 31.556 0.065 . 1 . . . . 65 His CB . 17447 1 594 . 1 1 60 60 HIS CD2 C 13 119.068 0.001 . 1 . . . . 65 His CD2 . 17447 1 595 . 1 1 60 60 HIS N N 15 127.463 0.014 . 1 . . . . 65 His N . 17447 1 596 . 1 1 61 61 VAL H H 1 8.730 0.004 . 1 . . . . 66 Val H . 17447 1 597 . 1 1 61 61 VAL HA H 1 3.903 0.005 . 1 . . . . 66 Val HA . 17447 1 598 . 1 1 61 61 VAL HB H 1 1.941 0.003 . 1 . . . . 66 Val HB . 17447 1 599 . 1 1 61 61 VAL HG11 H 1 0.839 0.004 . 2 . . . . 66 Val HG11 . 17447 1 600 . 1 1 61 61 VAL HG12 H 1 0.839 0.004 . 2 . . . . 66 Val HG12 . 17447 1 601 . 1 1 61 61 VAL HG13 H 1 0.839 0.004 . 2 . . . . 66 Val HG13 . 17447 1 602 . 1 1 61 61 VAL C C 13 175.379 0.008 . 1 . . . . 66 Val C . 17447 1 603 . 1 1 61 61 VAL CA C 13 63.780 0.041 . 1 . . . . 66 Val CA . 17447 1 604 . 1 1 61 61 VAL CB C 13 31.985 0.045 . 1 . . . . 66 Val CB . 17447 1 605 . 1 1 61 61 VAL CG1 C 13 22.175 0.078 . 2 . . . . 66 Val CG1 . 17447 1 606 . 1 1 61 61 VAL N N 15 127.266 0.045 . 1 . . . . 66 Val N . 17447 1 607 . 1 1 62 62 LEU H H 1 8.141 0.001 . 1 . . . . 67 Leu H . 17447 1 608 . 1 1 62 62 LEU HA H 1 4.687 0.003 . 1 . . . . 67 Leu HA . 17447 1 609 . 1 1 62 62 LEU HB2 H 1 1.632 0.008 . 2 . . . . 67 Leu HB2 . 17447 1 610 . 1 1 62 62 LEU HG H 1 1.385 0.004 . 1 . . . . 67 Leu HG . 17447 1 611 . 1 1 62 62 LEU HD11 H 1 0.733 0.005 . 2 . . . . 67 Leu HD11 . 17447 1 612 . 1 1 62 62 LEU HD12 H 1 0.733 0.005 . 2 . . . . 67 Leu HD12 . 17447 1 613 . 1 1 62 62 LEU HD13 H 1 0.733 0.005 . 2 . . . . 67 Leu HD13 . 17447 1 614 . 1 1 62 62 LEU HD21 H 1 0.735 0.002 . 2 . . . . 67 Leu HD21 . 17447 1 615 . 1 1 62 62 LEU HD22 H 1 0.735 0.002 . 2 . . . . 67 Leu HD22 . 17447 1 616 . 1 1 62 62 LEU HD23 H 1 0.735 0.002 . 2 . . . . 67 Leu HD23 . 17447 1 617 . 1 1 62 62 LEU C C 13 174.100 0.011 . 1 . . . . 67 Leu C . 17447 1 618 . 1 1 62 62 LEU CA C 13 53.450 0.033 . 1 . . . . 67 Leu CA . 17447 1 619 . 1 1 62 62 LEU CB C 13 43.150 0.082 . 1 . . . . 67 Leu CB . 17447 1 620 . 1 1 62 62 LEU CG C 13 27.580 0.045 . 1 . . . . 67 Leu CG . 17447 1 621 . 1 1 62 62 LEU CD1 C 13 23.394 0.035 . 2 . . . . 67 Leu CD1 . 17447 1 622 . 1 1 62 62 LEU CD2 C 13 25.215 0.033 . 2 . . . . 67 Leu CD2 . 17447 1 623 . 1 1 62 62 LEU N N 15 130.129 0.015 . 1 . . . . 67 Leu N . 17447 1 624 . 1 1 63 63 GLU H H 1 8.369 0.002 . 1 . . . . 68 Glu H . 17447 1 625 . 1 1 63 63 GLU HA H 1 3.898 0.002 . 1 . . . . 68 Glu HA . 17447 1 626 . 1 1 63 63 GLU HB2 H 1 1.901 0.006 . 2 . . . . 68 Glu HB2 . 17447 1 627 . 1 1 63 63 GLU HB3 H 1 2.020 0.009 . 2 . . . . 68 Glu HB3 . 17447 1 628 . 1 1 63 63 GLU HG2 H 1 2.222 0.002 . 2 . . . . 68 Glu HG2 . 17447 1 629 . 1 1 63 63 GLU C C 13 172.901 0.004 . 1 . . . . 68 Glu C . 17447 1 630 . 1 1 63 63 GLU CA C 13 60.109 0.020 . 1 . . . . 68 Glu CA . 17447 1 631 . 1 1 63 63 GLU CB C 13 29.313 0.074 . 1 . . . . 68 Glu CB . 17447 1 632 . 1 1 63 63 GLU CG C 13 36.157 0.001 . 1 . . . . 68 Glu CG . 17447 1 633 . 1 1 63 63 GLU N N 15 119.757 0.028 . 1 . . . . 68 Glu N . 17447 1 634 . 1 1 64 64 ASN H H 1 8.613 0.001 . 1 . . . . 69 Asn H . 17447 1 635 . 1 1 64 64 ASN HA H 1 4.980 0.004 . 1 . . . . 69 Asn HA . 17447 1 636 . 1 1 64 64 ASN HB2 H 1 3.045 0.003 . 2 . . . . 69 Asn HB2 . 17447 1 637 . 1 1 64 64 ASN HB3 H 1 2.699 0.001 . 2 . . . . 69 Asn HB3 . 17447 1 638 . 1 1 64 64 ASN HD21 H 1 7.635 0.001 . 2 . . . . 69 Asn HD21 . 17447 1 639 . 1 1 64 64 ASN HD22 H 1 6.932 0.002 . 2 . . . . 69 Asn HD22 . 17447 1 640 . 1 1 64 64 ASN C C 13 176.326 0.001 . 1 . . . . 69 Asn C . 17447 1 641 . 1 1 64 64 ASN CA C 13 52.909 0.019 . 1 . . . . 69 Asn CA . 17447 1 642 . 1 1 64 64 ASN CB C 13 40.389 0.038 . 1 . . . . 69 Asn CB . 17447 1 643 . 1 1 64 64 ASN N N 15 114.566 0.024 . 1 . . . . 69 Asn N . 17447 1 644 . 1 1 64 64 ASN ND2 N 15 114.573 0.006 . 1 . . . . 69 Asn ND2 . 17447 1 645 . 1 1 65 65 SER H H 1 7.391 0.001 . 1 . . . . 70 Ser H . 17447 1 646 . 1 1 65 65 SER HA H 1 5.438 0.005 . 1 . . . . 70 Ser HA . 17447 1 647 . 1 1 65 65 SER HB2 H 1 4.046 0.003 . 2 . . . . 70 Ser HB2 . 17447 1 648 . 1 1 65 65 SER HB3 H 1 3.609 0.001 . 2 . . . . 70 Ser HB3 . 17447 1 649 . 1 1 65 65 SER C C 13 178.147 0.003 . 1 . . . . 70 Ser C . 17447 1 650 . 1 1 65 65 SER CA C 13 57.526 0.019 . 1 . . . . 70 Ser CA . 17447 1 651 . 1 1 65 65 SER CB C 13 66.518 0.022 . 1 . . . . 70 Ser CB . 17447 1 652 . 1 1 65 65 SER N N 15 112.029 0.020 . 1 . . . . 70 Ser N . 17447 1 653 . 1 1 66 66 LEU H H 1 9.070 0.001 . 1 . . . . 71 Leu H . 17447 1 654 . 1 1 66 66 LEU HA H 1 4.976 0.007 . 1 . . . . 71 Leu HA . 17447 1 655 . 1 1 66 66 LEU HB2 H 1 1.330 0.006 . 2 . . . . 71 Leu HB2 . 17447 1 656 . 1 1 66 66 LEU HB3 H 1 0.934 0.013 . 2 . . . . 71 Leu HB3 . 17447 1 657 . 1 1 66 66 LEU HG H 1 1.080 0.004 . 1 . . . . 71 Leu HG . 17447 1 658 . 1 1 66 66 LEU HD11 H 1 -0.023 0.010 . 2 . . . . 71 Leu HD11 . 17447 1 659 . 1 1 66 66 LEU HD12 H 1 -0.023 0.010 . 2 . . . . 71 Leu HD12 . 17447 1 660 . 1 1 66 66 LEU HD13 H 1 -0.023 0.010 . 2 . . . . 71 Leu HD13 . 17447 1 661 . 1 1 66 66 LEU HD21 H 1 0.629 0.004 . 2 . . . . 71 Leu HD21 . 17447 1 662 . 1 1 66 66 LEU HD22 H 1 0.629 0.004 . 2 . . . . 71 Leu HD22 . 17447 1 663 . 1 1 66 66 LEU HD23 H 1 0.629 0.004 . 2 . . . . 71 Leu HD23 . 17447 1 664 . 1 1 66 66 LEU C C 13 175.015 0.002 . 1 . . . . 71 Leu C . 17447 1 665 . 1 1 66 66 LEU CA C 13 53.281 0.014 . 1 . . . . 71 Leu CA . 17447 1 666 . 1 1 66 66 LEU CB C 13 45.540 0.041 . 1 . . . . 71 Leu CB . 17447 1 667 . 1 1 66 66 LEU CG C 13 26.795 0.032 . 1 . . . . 71 Leu CG . 17447 1 668 . 1 1 66 66 LEU CD1 C 13 24.178 0.063 . 2 . . . . 71 Leu CD1 . 17447 1 669 . 1 1 66 66 LEU CD2 C 13 24.726 0.058 . 2 . . . . 71 Leu CD2 . 17447 1 670 . 1 1 66 66 LEU N N 15 119.018 0.021 . 1 . . . . 71 Leu N . 17447 1 671 . 1 1 67 67 VAL H H 1 9.132 0.003 . 1 . . . . 72 Val H . 17447 1 672 . 1 1 67 67 VAL HA H 1 4.597 0.006 . 1 . . . . 72 Val HA . 17447 1 673 . 1 1 67 67 VAL HB H 1 2.027 0.002 . 1 . . . . 72 Val HB . 17447 1 674 . 1 1 67 67 VAL HG11 H 1 0.755 0.004 . 2 . . . . 72 Val HG11 . 17447 1 675 . 1 1 67 67 VAL HG12 H 1 0.755 0.004 . 2 . . . . 72 Val HG12 . 17447 1 676 . 1 1 67 67 VAL HG13 H 1 0.755 0.004 . 2 . . . . 72 Val HG13 . 17447 1 677 . 1 1 67 67 VAL HG21 H 1 0.914 0.002 . 2 . . . . 72 Val HG21 . 17447 1 678 . 1 1 67 67 VAL HG22 H 1 0.914 0.002 . 2 . . . . 72 Val HG22 . 17447 1 679 . 1 1 67 67 VAL HG23 H 1 0.914 0.002 . 2 . . . . 72 Val HG23 . 17447 1 680 . 1 1 67 67 VAL C C 13 175.093 0.009 . 1 . . . . 72 Val C . 17447 1 681 . 1 1 67 67 VAL CA C 13 62.151 0.041 . 1 . . . . 72 Val CA . 17447 1 682 . 1 1 67 67 VAL CB C 13 32.600 0.010 . 1 . . . . 72 Val CB . 17447 1 683 . 1 1 67 67 VAL CG1 C 13 20.834 0.011 . 2 . . . . 72 Val CG1 . 17447 1 684 . 1 1 67 67 VAL CG2 C 13 21.144 0.074 . 2 . . . . 72 Val CG2 . 17447 1 685 . 1 1 67 67 VAL N N 15 122.248 0.020 . 1 . . . . 72 Val N . 17447 1 686 . 1 1 68 68 LEU H H 1 9.034 0.003 . 1 . . . . 73 Leu H . 17447 1 687 . 1 1 68 68 LEU HA H 1 4.535 0.006 . 1 . . . . 73 Leu HA . 17447 1 688 . 1 1 68 68 LEU HB2 H 1 1.471 0.005 . 2 . . . . 73 Leu HB2 . 17447 1 689 . 1 1 68 68 LEU HB3 H 1 0.638 0.008 . 2 . . . . 73 Leu HB3 . 17447 1 690 . 1 1 68 68 LEU HG H 1 1.262 0.001 . 1 . . . . 73 Leu HG . 17447 1 691 . 1 1 68 68 LEU HD11 H 1 0.260 0.003 . 2 . . . . 73 Leu HD11 . 17447 1 692 . 1 1 68 68 LEU HD12 H 1 0.260 0.003 . 2 . . . . 73 Leu HD12 . 17447 1 693 . 1 1 68 68 LEU HD13 H 1 0.260 0.003 . 2 . . . . 73 Leu HD13 . 17447 1 694 . 1 1 68 68 LEU HD21 H 1 0.460 0.004 . 2 . . . . 73 Leu HD21 . 17447 1 695 . 1 1 68 68 LEU HD22 H 1 0.460 0.004 . 2 . . . . 73 Leu HD22 . 17447 1 696 . 1 1 68 68 LEU HD23 H 1 0.460 0.004 . 2 . . . . 73 Leu HD23 . 17447 1 697 . 1 1 68 68 LEU C C 13 176.384 0.011 . 1 . . . . 73 Leu C . 17447 1 698 . 1 1 68 68 LEU CA C 13 53.791 0.021 . 1 . . . . 73 Leu CA . 17447 1 699 . 1 1 68 68 LEU CB C 13 43.775 0.022 . 1 . . . . 73 Leu CB . 17447 1 700 . 1 1 68 68 LEU CG C 13 27.503 0.004 . 1 . . . . 73 Leu CG . 17447 1 701 . 1 1 68 68 LEU CD1 C 13 24.460 0.062 . 2 . . . . 73 Leu CD1 . 17447 1 702 . 1 1 68 68 LEU CD2 C 13 25.433 0.034 . 2 . . . . 73 Leu CD2 . 17447 1 703 . 1 1 68 68 LEU N N 15 128.625 0.030 . 1 . . . . 73 Leu N . 17447 1 704 . 1 1 69 69 LYS H H 1 8.094 0.005 . 1 . . . . 74 Lys H . 17447 1 705 . 1 1 69 69 LYS HA H 1 4.808 0.004 . 1 . . . . 74 Lys HA . 17447 1 706 . 1 1 69 69 LYS HB2 H 1 1.535 0.011 . 2 . . . . 74 Lys HB2 . 17447 1 707 . 1 1 69 69 LYS HB3 H 1 1.680 0.006 . 2 . . . . 74 Lys HB3 . 17447 1 708 . 1 1 69 69 LYS HG2 H 1 1.107 0.006 . 2 . . . . 74 Lys HG2 . 17447 1 709 . 1 1 69 69 LYS HG3 H 1 1.257 0.002 . 2 . . . . 74 Lys HG3 . 17447 1 710 . 1 1 69 69 LYS HD2 H 1 1.439 0.005 . 2 . . . . 74 Lys HD2 . 17447 1 711 . 1 1 69 69 LYS HE2 H 1 2.737 0.003 . 2 . . . . 74 Lys HE2 . 17447 1 712 . 1 1 69 69 LYS C C 13 176.119 0.003 . 1 . . . . 74 Lys C . 17447 1 713 . 1 1 69 69 LYS CA C 13 55.111 0.014 . 1 . . . . 74 Lys CA . 17447 1 714 . 1 1 69 69 LYS CB C 13 34.404 0.080 . 1 . . . . 74 Lys CB . 17447 1 715 . 1 1 69 69 LYS CD C 13 29.129 0.001 . 1 . . . . 74 Lys CD . 17447 1 716 . 1 1 69 69 LYS CE C 13 41.902 0.022 . 1 . . . . 74 Lys CE . 17447 1 717 . 1 1 69 69 LYS N N 15 122.489 0.044 . 1 . . . . 74 Lys N . 17447 1 718 . 1 1 70 70 PHE H H 1 9.146 0.003 . 1 . . . . 75 Phe H . 17447 1 719 . 1 1 70 70 PHE HA H 1 5.562 0.003 . 1 . . . . 75 Phe HA . 17447 1 720 . 1 1 70 70 PHE HB2 H 1 2.683 0.004 . 2 . . . . 75 Phe HB2 . 17447 1 721 . 1 1 70 70 PHE HB3 H 1 2.558 0.002 . 2 . . . . 75 Phe HB3 . 17447 1 722 . 1 1 70 70 PHE HD1 H 1 6.598 0.008 . 3 . . . . 75 Phe HD1 . 17447 1 723 . 1 1 70 70 PHE HD2 H 1 6.598 0.008 . 3 . . . . 75 Phe HD2 . 17447 1 724 . 1 1 70 70 PHE HE1 H 1 6.918 0.003 . 3 . . . . 75 Phe HE1 . 17447 1 725 . 1 1 70 70 PHE HE2 H 1 6.918 0.003 . 3 . . . . 75 Phe HE2 . 17447 1 726 . 1 1 70 70 PHE HZ H 1 6.503 0.015 . 1 . . . . 75 Phe HZ . 17447 1 727 . 1 1 70 70 PHE C C 13 173.792 0.010 . 1 . . . . 75 Phe C . 17447 1 728 . 1 1 70 70 PHE CA C 13 55.746 0.049 . 1 . . . . 75 Phe CA . 17447 1 729 . 1 1 70 70 PHE CB C 13 44.474 0.026 . 1 . . . . 75 Phe CB . 17447 1 730 . 1 1 70 70 PHE CD1 C 13 132.174 0.060 . 3 . . . . 75 Phe CD1 . 17447 1 731 . 1 1 70 70 PHE CD2 C 13 132.174 0.060 . 3 . . . . 75 Phe CD2 . 17447 1 732 . 1 1 70 70 PHE CE1 C 13 131.911 0.006 . 3 . . . . 75 Phe CE1 . 17447 1 733 . 1 1 70 70 PHE CE2 C 13 131.911 0.006 . 3 . . . . 75 Phe CE2 . 17447 1 734 . 1 1 70 70 PHE CZ C 13 128.384 0.034 . 1 . . . . 75 Phe CZ . 17447 1 735 . 1 1 70 70 PHE N N 15 122.674 0.025 . 1 . . . . 75 Phe N . 17447 1 736 . 1 1 71 71 HIS H H 1 8.969 0.003 . 1 . . . . 76 His H . 17447 1 737 . 1 1 71 71 HIS HA H 1 5.740 0.006 . 1 . . . . 76 His HA . 17447 1 738 . 1 1 71 71 HIS HB2 H 1 3.154 0.010 . 2 . . . . 76 His HB2 . 17447 1 739 . 1 1 71 71 HIS HB3 H 1 3.258 0.005 . 2 . . . . 76 His HB3 . 17447 1 740 . 1 1 71 71 HIS HD2 H 1 6.720 0.001 . 1 . . . . 76 His HD2 . 17447 1 741 . 1 1 71 71 HIS C C 13 176.162 0.006 . 1 . . . . 76 His C . 17447 1 742 . 1 1 71 71 HIS CA C 13 56.655 0.043 . 1 . . . . 76 His CA . 17447 1 743 . 1 1 71 71 HIS CB C 13 33.018 0.035 . 1 . . . . 76 His CB . 17447 1 744 . 1 1 71 71 HIS CD2 C 13 119.538 0.001 . 1 . . . . 76 His CD2 . 17447 1 745 . 1 1 71 71 HIS N N 15 114.149 0.036 . 1 . . . . 76 His N . 17447 1 746 . 1 1 72 72 THR H H 1 9.017 0.002 . 1 . . . . 77 Thr H . 17447 1 747 . 1 1 72 72 THR HA H 1 4.789 0.002 . 1 . . . . 77 Thr HA . 17447 1 748 . 1 1 72 72 THR HB H 1 4.106 0.003 . 1 . . . . 77 Thr HB . 17447 1 749 . 1 1 72 72 THR HG21 H 1 0.922 0.003 . 1 . . . . 77 Thr HG21 . 17447 1 750 . 1 1 72 72 THR HG22 H 1 0.922 0.003 . 1 . . . . 77 Thr HG22 . 17447 1 751 . 1 1 72 72 THR HG23 H 1 0.922 0.003 . 1 . . . . 77 Thr HG23 . 17447 1 752 . 1 1 72 72 THR C C 13 177.851 0.013 . 1 . . . . 77 Thr C . 17447 1 753 . 1 1 72 72 THR CA C 13 59.923 0.018 . 1 . . . . 77 Thr CA . 17447 1 754 . 1 1 72 72 THR CB C 13 70.955 0.022 . 1 . . . . 77 Thr CB . 17447 1 755 . 1 1 72 72 THR CG2 C 13 20.634 0.070 . 1 . . . . 77 Thr CG2 . 17447 1 756 . 1 1 72 72 THR N N 15 112.750 0.020 . 1 . . . . 77 Thr N . 17447 1 757 . 1 1 73 73 VAL H H 1 9.064 0.003 . 1 . . . . 78 Val H . 17447 1 758 . 1 1 73 73 VAL HA H 1 4.805 0.003 . 1 . . . . 78 Val HA . 17447 1 759 . 1 1 73 73 VAL HB H 1 1.999 0.001 . 1 . . . . 78 Val HB . 17447 1 760 . 1 1 73 73 VAL HG11 H 1 0.885 0.003 . 2 . . . . 78 Val HG11 . 17447 1 761 . 1 1 73 73 VAL HG12 H 1 0.885 0.003 . 2 . . . . 78 Val HG12 . 17447 1 762 . 1 1 73 73 VAL HG13 H 1 0.885 0.003 . 2 . . . . 78 Val HG13 . 17447 1 763 . 1 1 73 73 VAL HG21 H 1 0.788 0.002 . 2 . . . . 78 Val HG21 . 17447 1 764 . 1 1 73 73 VAL HG22 H 1 0.788 0.002 . 2 . . . . 78 Val HG22 . 17447 1 765 . 1 1 73 73 VAL HG23 H 1 0.788 0.002 . 2 . . . . 78 Val HG23 . 17447 1 766 . 1 1 73 73 VAL C C 13 175.183 0.007 . 1 . . . . 78 Val C . 17447 1 767 . 1 1 73 73 VAL CA C 13 61.377 0.016 . 1 . . . . 78 Val CA . 17447 1 768 . 1 1 73 73 VAL CB C 13 33.875 0.066 . 1 . . . . 78 Val CB . 17447 1 769 . 1 1 73 73 VAL CG1 C 13 22.205 0.067 . 2 . . . . 78 Val CG1 . 17447 1 770 . 1 1 73 73 VAL CG2 C 13 21.095 0.072 . 2 . . . . 78 Val CG2 . 17447 1 771 . 1 1 73 73 VAL N N 15 122.678 0.033 . 1 . . . . 78 Val N . 17447 1 772 . 1 1 74 74 ARG H H 1 8.382 0.001 . 1 . . . . 79 Arg H . 17447 1 773 . 1 1 74 74 ARG HA H 1 4.591 0.003 . 1 . . . . 79 Arg HA . 17447 1 774 . 1 1 74 74 ARG HB2 H 1 1.696 0.003 . 2 . . . . 79 Arg HB2 . 17447 1 775 . 1 1 74 74 ARG HG2 H 1 1.469 0.004 . 2 . . . . 79 Arg HG2 . 17447 1 776 . 1 1 74 74 ARG HG3 H 1 1.547 0.003 . 2 . . . . 79 Arg HG3 . 17447 1 777 . 1 1 74 74 ARG HD2 H 1 3.133 0.004 . 2 . . . . 79 Arg HD2 . 17447 1 778 . 1 1 74 74 ARG C C 13 174.496 0.004 . 1 . . . . 79 Arg C . 17447 1 779 . 1 1 74 74 ARG CA C 13 55.038 0.010 . 1 . . . . 79 Arg CA . 17447 1 780 . 1 1 74 74 ARG CB C 13 31.972 0.037 . 1 . . . . 79 Arg CB . 17447 1 781 . 1 1 74 74 ARG CG C 13 26.990 0.075 . 1 . . . . 79 Arg CG . 17447 1 782 . 1 1 74 74 ARG CD C 13 43.250 0.059 . 1 . . . . 79 Arg CD . 17447 1 783 . 1 1 74 74 ARG N N 15 127.672 0.006 . 1 . . . . 79 Arg N . 17447 1 784 . 1 1 75 75 ASP H H 1 9.441 0.001 . 1 . . . . 80 Asp H . 17447 1 785 . 1 1 75 75 ASP HA H 1 4.211 0.002 . 1 . . . . 80 Asp HA . 17447 1 786 . 1 1 75 75 ASP HB2 H 1 2.679 0.001 . 2 . . . . 80 Asp HB2 . 17447 1 787 . 1 1 75 75 ASP HB3 H 1 2.806 0.001 . 2 . . . . 80 Asp HB3 . 17447 1 788 . 1 1 75 75 ASP C C 13 175.428 0.008 . 1 . . . . 80 Asp C . 17447 1 789 . 1 1 75 75 ASP CA C 13 56.275 0.010 . 1 . . . . 80 Asp CA . 17447 1 790 . 1 1 75 75 ASP CB C 13 39.312 0.012 . 1 . . . . 80 Asp CB . 17447 1 791 . 1 1 75 75 ASP N N 15 127.611 0.011 . 1 . . . . 80 Asp N . 17447 1 792 . 1 1 76 76 GLU H H 1 8.373 0.001 . 1 . . . . 81 Glu H . 17447 1 793 . 1 1 76 76 GLU HA H 1 3.724 0.002 . 1 . . . . 81 Glu HA . 17447 1 794 . 1 1 76 76 GLU HB2 H 1 2.183 0.001 . 2 . . . . 81 Glu HB2 . 17447 1 795 . 1 1 76 76 GLU HG2 H 1 2.066 0.001 . 2 . . . . 81 Glu HG2 . 17447 1 796 . 1 1 76 76 GLU C C 13 175.254 0.020 . 1 . . . . 81 Glu C . 17447 1 797 . 1 1 76 76 GLU CA C 13 57.770 0.030 . 1 . . . . 81 Glu CA . 17447 1 798 . 1 1 76 76 GLU CB C 13 28.234 0.057 . 1 . . . . 81 Glu CB . 17447 1 799 . 1 1 76 76 GLU CG C 13 36.679 0.058 . 1 . . . . 81 Glu CG . 17447 1 800 . 1 1 76 76 GLU N N 15 110.300 0.010 . 1 . . . . 81 Glu N . 17447 1 801 . 1 1 77 77 GLU H H 1 7.968 0.002 . 1 . . . . 82 Glu H . 17447 1 802 . 1 1 77 77 GLU HA H 1 4.569 0.005 . 1 . . . . 82 Glu HA . 17447 1 803 . 1 1 77 77 GLU HB2 H 1 2.038 0.004 . 2 . . . . 82 Glu HB2 . 17447 1 804 . 1 1 77 77 GLU HB3 H 1 1.935 0.005 . 2 . . . . 82 Glu HB3 . 17447 1 805 . 1 1 77 77 GLU HG2 H 1 2.251 0.001 . 2 . . . . 82 Glu HG2 . 17447 1 806 . 1 1 77 77 GLU HG3 H 1 2.132 0.005 . 2 . . . . 82 Glu HG3 . 17447 1 807 . 1 1 77 77 GLU C C 13 174.258 0.008 . 1 . . . . 82 Glu C . 17447 1 808 . 1 1 77 77 GLU CA C 13 55.252 0.025 . 1 . . . . 82 Glu CA . 17447 1 809 . 1 1 77 77 GLU CB C 13 31.911 0.076 . 1 . . . . 82 Glu CB . 17447 1 810 . 1 1 77 77 GLU CG C 13 35.997 0.009 . 1 . . . . 82 Glu CG . 17447 1 811 . 1 1 77 77 GLU N N 15 120.357 0.042 . 1 . . . . 82 Glu N . 17447 1 812 . 1 1 78 78 CYS H H 1 8.957 0.002 . 1 . . . . 83 Cys H . 17447 1 813 . 1 1 78 78 CYS HA H 1 5.349 0.005 . 1 . . . . 83 Cys HA . 17447 1 814 . 1 1 78 78 CYS HB2 H 1 3.170 0.004 . 2 . . . . 83 Cys HB2 . 17447 1 815 . 1 1 78 78 CYS HB3 H 1 2.770 0.003 . 2 . . . . 83 Cys HB3 . 17447 1 816 . 1 1 78 78 CYS C C 13 175.737 0.010 . 1 . . . . 83 Cys C . 17447 1 817 . 1 1 78 78 CYS CA C 13 56.584 0.013 . 1 . . . . 83 Cys CA . 17447 1 818 . 1 1 78 78 CYS CB C 13 45.295 0.004 . 1 . . . . 83 Cys CB . 17447 1 819 . 1 1 78 78 CYS N N 15 124.533 0.050 . 1 . . . . 83 Cys N . 17447 1 820 . 1 1 79 79 SER H H 1 8.913 0.003 . 1 . . . . 84 Ser H . 17447 1 821 . 1 1 79 79 SER HA H 1 4.787 0.005 . 1 . . . . 84 Ser HA . 17447 1 822 . 1 1 79 79 SER HB2 H 1 3.767 0.001 . 2 . . . . 84 Ser HB2 . 17447 1 823 . 1 1 79 79 SER HB3 H 1 3.636 0.002 . 2 . . . . 84 Ser HB3 . 17447 1 824 . 1 1 79 79 SER C C 13 177.501 0.010 . 1 . . . . 84 Ser C . 17447 1 825 . 1 1 79 79 SER CA C 13 57.737 0.038 . 1 . . . . 84 Ser CA . 17447 1 826 . 1 1 79 79 SER CB C 13 65.213 0.012 . 1 . . . . 84 Ser CB . 17447 1 827 . 1 1 79 79 SER N N 15 118.407 0.018 . 1 . . . . 84 Ser N . 17447 1 828 . 1 1 80 80 GLU H H 1 8.661 0.002 . 1 . . . . 85 Glu H . 17447 1 829 . 1 1 80 80 GLU HA H 1 4.692 0.004 . 1 . . . . 85 Glu HA . 17447 1 830 . 1 1 80 80 GLU HB2 H 1 1.935 0.003 . 2 . . . . 85 Glu HB2 . 17447 1 831 . 1 1 80 80 GLU HG2 H 1 2.085 0.001 . 2 . . . . 85 Glu HG2 . 17447 1 832 . 1 1 80 80 GLU HG3 H 1 2.168 0.001 . 2 . . . . 85 Glu HG3 . 17447 1 833 . 1 1 80 80 GLU C C 13 174.737 0.014 . 1 . . . . 85 Glu C . 17447 1 834 . 1 1 80 80 GLU CA C 13 56.229 0.036 . 1 . . . . 85 Glu CA . 17447 1 835 . 1 1 80 80 GLU CB C 13 31.908 0.032 . 1 . . . . 85 Glu CB . 17447 1 836 . 1 1 80 80 GLU CG C 13 36.449 0.014 . 1 . . . . 85 Glu CG . 17447 1 837 . 1 1 80 80 GLU N N 15 123.959 0.024 . 1 . . . . 85 Glu N . 17447 1 838 . 1 1 81 81 LEU H H 1 8.562 0.003 . 1 . . . . 86 Leu H . 17447 1 839 . 1 1 81 81 LEU HA H 1 4.563 0.002 . 1 . . . . 86 Leu HA . 17447 1 840 . 1 1 81 81 LEU HB2 H 1 1.386 0.001 . 2 . . . . 86 Leu HB2 . 17447 1 841 . 1 1 81 81 LEU HG H 1 1.230 0.002 . 1 . . . . 86 Leu HG . 17447 1 842 . 1 1 81 81 LEU HD11 H 1 0.412 0.003 . 2 . . . . 86 Leu HD11 . 17447 1 843 . 1 1 81 81 LEU HD12 H 1 0.412 0.003 . 2 . . . . 86 Leu HD12 . 17447 1 844 . 1 1 81 81 LEU HD13 H 1 0.412 0.003 . 2 . . . . 86 Leu HD13 . 17447 1 845 . 1 1 81 81 LEU HD21 H 1 0.639 0.002 . 2 . . . . 86 Leu HD21 . 17447 1 846 . 1 1 81 81 LEU HD22 H 1 0.639 0.002 . 2 . . . . 86 Leu HD22 . 17447 1 847 . 1 1 81 81 LEU HD23 H 1 0.639 0.002 . 2 . . . . 86 Leu HD23 . 17447 1 848 . 1 1 81 81 LEU C C 13 176.223 0.005 . 1 . . . . 86 Leu C . 17447 1 849 . 1 1 81 81 LEU CA C 13 55.263 0.029 . 1 . . . . 86 Leu CA . 17447 1 850 . 1 1 81 81 LEU CB C 13 45.437 0.063 . 1 . . . . 86 Leu CB . 17447 1 851 . 1 1 81 81 LEU CG C 13 27.347 0.019 . 1 . . . . 86 Leu CG . 17447 1 852 . 1 1 81 81 LEU CD1 C 13 25.823 0.032 . 2 . . . . 86 Leu CD1 . 17447 1 853 . 1 1 81 81 LEU CD2 C 13 24.772 0.052 . 2 . . . . 86 Leu CD2 . 17447 1 854 . 1 1 81 81 LEU N N 15 125.300 0.027 . 1 . . . . 86 Leu N . 17447 1 855 . 1 1 82 82 SER H H 1 8.551 0.002 . 1 . . . . 87 Ser H . 17447 1 856 . 1 1 82 82 SER HA H 1 5.607 0.004 . 1 . . . . 87 Ser HA . 17447 1 857 . 1 1 82 82 SER HB2 H 1 3.580 0.002 . 2 . . . . 87 Ser HB2 . 17447 1 858 . 1 1 82 82 SER C C 13 176.909 0.023 . 1 . . . . 87 Ser C . 17447 1 859 . 1 1 82 82 SER CA C 13 56.829 0.034 . 1 . . . . 87 Ser CA . 17447 1 860 . 1 1 82 82 SER CB C 13 65.299 0.037 . 1 . . . . 87 Ser CB . 17447 1 861 . 1 1 82 82 SER N N 15 119.170 0.019 . 1 . . . . 87 Ser N . 17447 1 862 . 1 1 83 83 MET H H 1 9.076 0.002 . 1 . . . . 88 Met H . 17447 1 863 . 1 1 83 83 MET HA H 1 4.724 0.001 . 1 . . . . 88 Met HA . 17447 1 864 . 1 1 83 83 MET HB2 H 1 1.750 0.005 . 2 . . . . 88 Met HB2 . 17447 1 865 . 1 1 83 83 MET HB3 H 1 1.900 0.001 . 2 . . . . 88 Met HB3 . 17447 1 866 . 1 1 83 83 MET HG2 H 1 1.993 0.008 . 2 . . . . 88 Met HG2 . 17447 1 867 . 1 1 83 83 MET HG3 H 1 2.377 0.009 . 2 . . . . 88 Met HG3 . 17447 1 868 . 1 1 83 83 MET C C 13 177.000 0.004 . 1 . . . . 88 Met C . 17447 1 869 . 1 1 83 83 MET CA C 13 54.708 0.023 . 1 . . . . 88 Met CA . 17447 1 870 . 1 1 83 83 MET CB C 13 36.841 0.087 . 1 . . . . 88 Met CB . 17447 1 871 . 1 1 83 83 MET CG C 13 32.151 0.029 . 1 . . . . 88 Met CG . 17447 1 872 . 1 1 83 83 MET N N 15 121.512 0.011 . 1 . . . . 88 Met N . 17447 1 873 . 1 1 84 84 VAL H H 1 8.543 0.002 . 1 . . . . 89 Val H . 17447 1 874 . 1 1 84 84 VAL HA H 1 4.567 0.004 . 1 . . . . 89 Val HA . 17447 1 875 . 1 1 84 84 VAL HB H 1 1.970 0.001 . 1 . . . . 89 Val HB . 17447 1 876 . 1 1 84 84 VAL HG11 H 1 0.844 0.002 . 2 . . . . 89 Val HG11 . 17447 1 877 . 1 1 84 84 VAL HG12 H 1 0.844 0.002 . 2 . . . . 89 Val HG12 . 17447 1 878 . 1 1 84 84 VAL HG13 H 1 0.844 0.002 . 2 . . . . 89 Val HG13 . 17447 1 879 . 1 1 84 84 VAL HG21 H 1 0.903 0.006 . 2 . . . . 89 Val HG21 . 17447 1 880 . 1 1 84 84 VAL HG22 H 1 0.903 0.006 . 2 . . . . 89 Val HG22 . 17447 1 881 . 1 1 84 84 VAL HG23 H 1 0.903 0.006 . 2 . . . . 89 Val HG23 . 17447 1 882 . 1 1 84 84 VAL C C 13 176.218 0.002 . 1 . . . . 89 Val C . 17447 1 883 . 1 1 84 84 VAL CA C 13 61.855 0.012 . 1 . . . . 89 Val CA . 17447 1 884 . 1 1 84 84 VAL CB C 13 32.754 0.015 . 1 . . . . 89 Val CB . 17447 1 885 . 1 1 84 84 VAL CG1 C 13 21.405 0.027 . 2 . . . . 89 Val CG1 . 17447 1 886 . 1 1 84 84 VAL CG2 C 13 21.267 0.021 . 2 . . . . 89 Val CG2 . 17447 1 887 . 1 1 84 84 VAL N N 15 122.424 0.029 . 1 . . . . 89 Val N . 17447 1 888 . 1 1 85 85 ALA H H 1 9.447 0.002 . 1 . . . . 90 Ala H . 17447 1 889 . 1 1 85 85 ALA HA H 1 5.334 0.001 . 1 . . . . 90 Ala HA . 17447 1 890 . 1 1 85 85 ALA HB1 H 1 1.112 0.001 . 1 . . . . 90 Ala HB1 . 17447 1 891 . 1 1 85 85 ALA HB2 H 1 1.112 0.001 . 1 . . . . 90 Ala HB2 . 17447 1 892 . 1 1 85 85 ALA HB3 H 1 1.112 0.001 . 1 . . . . 90 Ala HB3 . 17447 1 893 . 1 1 85 85 ALA C C 13 174.257 0.004 . 1 . . . . 90 Ala C . 17447 1 894 . 1 1 85 85 ALA CA C 13 49.119 0.030 . 1 . . . . 90 Ala CA . 17447 1 895 . 1 1 85 85 ALA CB C 13 21.259 0.044 . 1 . . . . 90 Ala CB . 17447 1 896 . 1 1 85 85 ALA N N 15 131.013 0.035 . 1 . . . . 90 Ala N . 17447 1 897 . 1 1 86 86 ASP H H 1 8.857 0.001 . 1 . . . . 91 Asp H . 17447 1 898 . 1 1 86 86 ASP HA H 1 5.140 0.004 . 1 . . . . 91 Asp HA . 17447 1 899 . 1 1 86 86 ASP HB2 H 1 2.713 0.001 . 2 . . . . 91 Asp HB2 . 17447 1 900 . 1 1 86 86 ASP HB3 H 1 2.451 0.003 . 2 . . . . 91 Asp HB3 . 17447 1 901 . 1 1 86 86 ASP C C 13 174.146 0.053 . 1 . . . . 91 Asp C . 17447 1 902 . 1 1 86 86 ASP CA C 13 53.985 0.029 . 1 . . . . 91 Asp CA . 17447 1 903 . 1 1 86 86 ASP CB C 13 44.053 0.009 . 1 . . . . 91 Asp CB . 17447 1 904 . 1 1 86 86 ASP N N 15 123.363 0.023 . 1 . . . . 91 Asp N . 17447 1 905 . 1 1 87 87 LYS H H 1 8.123 0.011 . 1 . . . . 92 Lys H . 17447 1 906 . 1 1 87 87 LYS HA H 1 3.914 0.003 . 1 . . . . 92 Lys HA . 17447 1 907 . 1 1 87 87 LYS HB2 H 1 1.860 0.007 . 2 . . . . 92 Lys HB2 . 17447 1 908 . 1 1 87 87 LYS HB3 H 1 1.595 0.012 . 2 . . . . 92 Lys HB3 . 17447 1 909 . 1 1 87 87 LYS HG2 H 1 1.221 0.007 . 2 . . . . 92 Lys HG2 . 17447 1 910 . 1 1 87 87 LYS HG3 H 1 1.329 0.003 . 2 . . . . 92 Lys HG3 . 17447 1 911 . 1 1 87 87 LYS HD2 H 1 1.614 0.005 . 2 . . . . 92 Lys HD2 . 17447 1 912 . 1 1 87 87 LYS HE2 H 1 2.965 0.003 . 2 . . . . 92 Lys HE2 . 17447 1 913 . 1 1 87 87 LYS C C 13 172.478 0.013 . 1 . . . . 92 Lys C . 17447 1 914 . 1 1 87 87 LYS CA C 13 57.822 0.007 . 1 . . . . 92 Lys CA . 17447 1 915 . 1 1 87 87 LYS CB C 13 33.242 0.053 . 1 . . . . 92 Lys CB . 17447 1 916 . 1 1 87 87 LYS CG C 13 25.651 0.034 . 1 . . . . 92 Lys CG . 17447 1 917 . 1 1 87 87 LYS CD C 13 29.532 0.063 . 1 . . . . 92 Lys CD . 17447 1 918 . 1 1 87 87 LYS CE C 13 42.247 0.022 . 1 . . . . 92 Lys CE . 17447 1 919 . 1 1 87 87 LYS N N 15 120.861 0.009 . 1 . . . . 92 Lys N . 17447 1 920 . 1 1 88 88 THR H H 1 7.835 0.001 . 1 . . . . 93 Thr H . 17447 1 921 . 1 1 88 88 THR HA H 1 4.688 0.003 . 1 . . . . 93 Thr HA . 17447 1 922 . 1 1 88 88 THR HB H 1 4.550 0.008 . 1 . . . . 93 Thr HB . 17447 1 923 . 1 1 88 88 THR HG21 H 1 1.082 0.003 . 1 . . . . 93 Thr HG21 . 17447 1 924 . 1 1 88 88 THR HG22 H 1 1.082 0.003 . 1 . . . . 93 Thr HG22 . 17447 1 925 . 1 1 88 88 THR HG23 H 1 1.082 0.003 . 1 . . . . 93 Thr HG23 . 17447 1 926 . 1 1 88 88 THR C C 13 175.959 0.003 . 1 . . . . 93 Thr C . 17447 1 927 . 1 1 88 88 THR CA C 13 60.175 0.007 . 1 . . . . 93 Thr CA . 17447 1 928 . 1 1 88 88 THR CB C 13 69.506 0.031 . 1 . . . . 93 Thr CB . 17447 1 929 . 1 1 88 88 THR CG2 C 13 21.731 0.075 . 1 . . . . 93 Thr CG2 . 17447 1 930 . 1 1 88 88 THR N N 15 114.561 0.009 . 1 . . . . 93 Thr N . 17447 1 931 . 1 1 89 89 GLU H H 1 8.626 0.003 . 1 . . . . 94 Glu H . 17447 1 932 . 1 1 89 89 GLU HA H 1 4.147 0.002 . 1 . . . . 94 Glu HA . 17447 1 933 . 1 1 89 89 GLU HB2 H 1 2.065 0.002 . 2 . . . . 94 Glu HB2 . 17447 1 934 . 1 1 89 89 GLU HB3 H 1 1.902 0.001 . 2 . . . . 94 Glu HB3 . 17447 1 935 . 1 1 89 89 GLU HG2 H 1 2.158 0.003 . 2 . . . . 94 Glu HG2 . 17447 1 936 . 1 1 89 89 GLU HG3 H 1 2.264 0.003 . 2 . . . . 94 Glu HG3 . 17447 1 937 . 1 1 89 89 GLU C C 13 173.838 0.012 . 1 . . . . 94 Glu C . 17447 1 938 . 1 1 89 89 GLU CA C 13 57.353 0.018 . 1 . . . . 94 Glu CA . 17447 1 939 . 1 1 89 89 GLU CB C 13 29.103 0.062 . 1 . . . . 94 Glu CB . 17447 1 940 . 1 1 89 89 GLU CG C 13 36.424 0.010 . 1 . . . . 94 Glu CG . 17447 1 941 . 1 1 89 89 GLU N N 15 116.783 0.020 . 1 . . . . 94 Glu N . 17447 1 942 . 1 1 90 90 LYS H H 1 7.971 0.002 . 1 . . . . 95 Lys H . 17447 1 943 . 1 1 90 90 LYS HA H 1 4.224 0.004 . 1 . . . . 95 Lys HA . 17447 1 944 . 1 1 90 90 LYS HB2 H 1 1.364 0.003 . 2 . . . . 95 Lys HB2 . 17447 1 945 . 1 1 90 90 LYS HB3 H 1 1.496 0.008 . 2 . . . . 95 Lys HB3 . 17447 1 946 . 1 1 90 90 LYS HG2 H 1 1.087 0.004 . 2 . . . . 95 Lys HG2 . 17447 1 947 . 1 1 90 90 LYS HG3 H 1 1.242 0.003 . 2 . . . . 95 Lys HG3 . 17447 1 948 . 1 1 90 90 LYS HD2 H 1 1.527 0.010 . 2 . . . . 95 Lys HD2 . 17447 1 949 . 1 1 90 90 LYS HE2 H 1 2.826 0.003 . 2 . . . . 95 Lys HE2 . 17447 1 950 . 1 1 90 90 LYS C C 13 174.859 0.012 . 1 . . . . 95 Lys C . 17447 1 951 . 1 1 90 90 LYS CA C 13 55.117 0.017 . 1 . . . . 95 Lys CA . 17447 1 952 . 1 1 90 90 LYS CB C 13 32.859 0.074 . 1 . . . . 95 Lys CB . 17447 1 953 . 1 1 90 90 LYS CG C 13 24.951 0.058 . 1 . . . . 95 Lys CG . 17447 1 954 . 1 1 90 90 LYS CD C 13 28.972 0.067 . 1 . . . . 95 Lys CD . 17447 1 955 . 1 1 90 90 LYS CE C 13 42.069 0.022 . 1 . . . . 95 Lys CE . 17447 1 956 . 1 1 90 90 LYS N N 15 122.147 0.017 . 1 . . . . 95 Lys N . 17447 1 957 . 1 1 91 91 ALA H H 1 8.271 0.002 . 1 . . . . 96 Ala H . 17447 1 958 . 1 1 91 91 ALA HA H 1 3.918 0.001 . 1 . . . . 96 Ala HA . 17447 1 959 . 1 1 91 91 ALA HB1 H 1 1.270 0.001 . 1 . . . . 96 Ala HB1 . 17447 1 960 . 1 1 91 91 ALA HB2 H 1 1.270 0.001 . 1 . . . . 96 Ala HB2 . 17447 1 961 . 1 1 91 91 ALA HB3 H 1 1.270 0.001 . 1 . . . . 96 Ala HB3 . 17447 1 962 . 1 1 91 91 ALA C C 13 171.978 0.004 . 1 . . . . 96 Ala C . 17447 1 963 . 1 1 91 91 ALA CA C 13 53.429 0.020 . 1 . . . . 96 Ala CA . 17447 1 964 . 1 1 91 91 ALA CB C 13 17.964 0.004 . 1 . . . . 96 Ala CB . 17447 1 965 . 1 1 91 91 ALA N N 15 127.802 0.026 . 1 . . . . 96 Ala N . 17447 1 966 . 1 1 92 92 GLY H H 1 8.375 0.002 . 1 . . . . 97 Gly H . 17447 1 967 . 1 1 92 92 GLY HA2 H 1 3.332 0.001 . 2 . . . . 97 Gly HA2 . 17447 1 968 . 1 1 92 92 GLY HA3 H 1 3.600 0.001 . 2 . . . . 97 Gly HA3 . 17447 1 969 . 1 1 92 92 GLY C C 13 178.102 0.005 . 1 . . . . 97 Gly C . 17447 1 970 . 1 1 92 92 GLY CA C 13 46.366 0.005 . 1 . . . . 97 Gly CA . 17447 1 971 . 1 1 92 92 GLY N N 15 108.262 0.016 . 1 . . . . 97 Gly N . 17447 1 972 . 1 1 93 93 GLU H H 1 7.281 0.001 . 1 . . . . 98 Glu H . 17447 1 973 . 1 1 93 93 GLU HA H 1 4.891 0.010 . 1 . . . . 98 Glu HA . 17447 1 974 . 1 1 93 93 GLU HB2 H 1 1.961 0.003 . 2 . . . . 98 Glu HB2 . 17447 1 975 . 1 1 93 93 GLU HB3 H 1 1.160 0.004 . 2 . . . . 98 Glu HB3 . 17447 1 976 . 1 1 93 93 GLU HG2 H 1 1.842 0.010 . 2 . . . . 98 Glu HG2 . 17447 1 977 . 1 1 93 93 GLU HG3 H 1 1.870 0.012 . 2 . . . . 98 Glu HG3 . 17447 1 978 . 1 1 93 93 GLU C C 13 176.281 0.001 . 1 . . . . 98 Glu C . 17447 1 979 . 1 1 93 93 GLU CA C 13 54.319 0.023 . 1 . . . . 98 Glu CA . 17447 1 980 . 1 1 93 93 GLU CB C 13 32.527 0.035 . 1 . . . . 98 Glu CB . 17447 1 981 . 1 1 93 93 GLU CG C 13 37.865 0.040 . 1 . . . . 98 Glu CG . 17447 1 982 . 1 1 93 93 GLU N N 15 120.137 0.027 . 1 . . . . 98 Glu N . 17447 1 983 . 1 1 94 94 TYR H H 1 8.585 0.003 . 1 . . . . 99 Tyr H . 17447 1 984 . 1 1 94 94 TYR HA H 1 5.105 0.001 . 1 . . . . 99 Tyr HA . 17447 1 985 . 1 1 94 94 TYR HB2 H 1 2.240 0.001 . 2 . . . . 99 Tyr HB2 . 17447 1 986 . 1 1 94 94 TYR HB3 H 1 1.322 0.001 . 2 . . . . 99 Tyr HB3 . 17447 1 987 . 1 1 94 94 TYR HD1 H 1 6.467 0.003 . 3 . . . . 99 Tyr HD1 . 17447 1 988 . 1 1 94 94 TYR HD2 H 1 6.467 0.003 . 3 . . . . 99 Tyr HD2 . 17447 1 989 . 1 1 94 94 TYR HE1 H 1 6.335 0.001 . 3 . . . . 99 Tyr HE1 . 17447 1 990 . 1 1 94 94 TYR HE2 H 1 6.335 0.001 . 3 . . . . 99 Tyr HE2 . 17447 1 991 . 1 1 94 94 TYR C C 13 176.085 0.062 . 1 . . . . 99 Tyr C . 17447 1 992 . 1 1 94 94 TYR CA C 13 56.236 0.006 . 1 . . . . 99 Tyr CA . 17447 1 993 . 1 1 94 94 TYR CB C 13 42.387 0.064 . 1 . . . . 99 Tyr CB . 17447 1 994 . 1 1 94 94 TYR CD1 C 13 132.774 0.035 . 3 . . . . 99 Tyr CD1 . 17447 1 995 . 1 1 94 94 TYR CD2 C 13 132.774 0.035 . 3 . . . . 99 Tyr CD2 . 17447 1 996 . 1 1 94 94 TYR CE1 C 13 117.110 0.001 . 3 . . . . 99 Tyr CE1 . 17447 1 997 . 1 1 94 94 TYR CE2 C 13 117.110 0.001 . 3 . . . . 99 Tyr CE2 . 17447 1 998 . 1 1 94 94 TYR N N 15 125.568 0.014 . 1 . . . . 99 Tyr N . 17447 1 999 . 1 1 95 95 SER H H 1 9.573 0.002 . 1 . . . . 100 Ser H . 17447 1 1000 . 1 1 95 95 SER HA H 1 5.582 0.001 . 1 . . . . 100 Ser HA . 17447 1 1001 . 1 1 95 95 SER HB2 H 1 3.502 0.003 . 2 . . . . 100 Ser HB2 . 17447 1 1002 . 1 1 95 95 SER HB3 H 1 3.895 0.003 . 2 . . . . 100 Ser HB3 . 17447 1 1003 . 1 1 95 95 SER C C 13 176.739 0.005 . 1 . . . . 100 Ser C . 17447 1 1004 . 1 1 95 95 SER CA C 13 55.816 0.023 . 1 . . . . 100 Ser CA . 17447 1 1005 . 1 1 95 95 SER CB C 13 67.245 0.022 . 1 . . . . 100 Ser CB . 17447 1 1006 . 1 1 95 95 SER N N 15 114.730 0.025 . 1 . . . . 100 Ser N . 17447 1 1007 . 1 1 96 96 VAL H H 1 8.592 0.001 . 1 . . . . 101 Val H . 17447 1 1008 . 1 1 96 96 VAL HA H 1 4.720 0.002 . 1 . . . . 101 Val HA . 17447 1 1009 . 1 1 96 96 VAL HB H 1 2.099 0.007 . 1 . . . . 101 Val HB . 17447 1 1010 . 1 1 96 96 VAL HG11 H 1 0.857 0.004 . 2 . . . . 101 Val HG11 . 17447 1 1011 . 1 1 96 96 VAL HG12 H 1 0.857 0.004 . 2 . . . . 101 Val HG12 . 17447 1 1012 . 1 1 96 96 VAL HG13 H 1 0.857 0.004 . 2 . . . . 101 Val HG13 . 17447 1 1013 . 1 1 96 96 VAL HG21 H 1 0.913 0.011 . 2 . . . . 101 Val HG21 . 17447 1 1014 . 1 1 96 96 VAL HG22 H 1 0.913 0.011 . 2 . . . . 101 Val HG22 . 17447 1 1015 . 1 1 96 96 VAL HG23 H 1 0.913 0.011 . 2 . . . . 101 Val HG23 . 17447 1 1016 . 1 1 96 96 VAL C C 13 175.426 0.005 . 1 . . . . 101 Val C . 17447 1 1017 . 1 1 96 96 VAL CA C 13 60.719 0.020 . 1 . . . . 101 Val CA . 17447 1 1018 . 1 1 96 96 VAL CB C 13 35.706 0.065 . 1 . . . . 101 Val CB . 17447 1 1019 . 1 1 96 96 VAL CG1 C 13 19.644 0.072 . 2 . . . . 101 Val CG1 . 17447 1 1020 . 1 1 96 96 VAL CG2 C 13 21.618 0.061 . 2 . . . . 101 Val CG2 . 17447 1 1021 . 1 1 96 96 VAL N N 15 117.769 0.013 . 1 . . . . 101 Val N . 17447 1 1022 . 1 1 97 97 THR H H 1 9.344 0.001 . 1 . . . . 102 Thr H . 17447 1 1023 . 1 1 97 97 THR HA H 1 4.793 0.001 . 1 . . . . 102 Thr HA . 17447 1 1024 . 1 1 97 97 THR HB H 1 4.205 0.002 . 1 . . . . 102 Thr HB . 17447 1 1025 . 1 1 97 97 THR HG21 H 1 1.253 0.004 . 1 . . . . 102 Thr HG21 . 17447 1 1026 . 1 1 97 97 THR HG22 H 1 1.253 0.004 . 1 . . . . 102 Thr HG22 . 17447 1 1027 . 1 1 97 97 THR HG23 H 1 1.253 0.004 . 1 . . . . 102 Thr HG23 . 17447 1 1028 . 1 1 97 97 THR C C 13 176.064 0.004 . 1 . . . . 102 Thr C . 17447 1 1029 . 1 1 97 97 THR CA C 13 63.352 0.041 . 1 . . . . 102 Thr CA . 17447 1 1030 . 1 1 97 97 THR CB C 13 68.665 0.020 . 1 . . . . 102 Thr CB . 17447 1 1031 . 1 1 97 97 THR CG2 C 13 21.346 0.050 . 1 . . . . 102 Thr CG2 . 17447 1 1032 . 1 1 97 97 THR N N 15 128.595 0.023 . 1 . . . . 102 Thr N . 17447 1 1033 . 1 1 98 98 TYR H H 1 8.565 0.002 . 1 . . . . 103 Tyr H . 17447 1 1034 . 1 1 98 98 TYR HA H 1 4.163 0.001 . 1 . . . . 103 Tyr HA . 17447 1 1035 . 1 1 98 98 TYR HB2 H 1 3.354 0.001 . 2 . . . . 103 Tyr HB2 . 17447 1 1036 . 1 1 98 98 TYR HB3 H 1 2.180 0.001 . 2 . . . . 103 Tyr HB3 . 17447 1 1037 . 1 1 98 98 TYR HD1 H 1 6.625 0.004 . 3 . . . . 103 Tyr HD1 . 17447 1 1038 . 1 1 98 98 TYR HD2 H 1 6.625 0.004 . 3 . . . . 103 Tyr HD2 . 17447 1 1039 . 1 1 98 98 TYR HE1 H 1 5.720 0.007 . 3 . . . . 103 Tyr HE1 . 17447 1 1040 . 1 1 98 98 TYR HE2 H 1 5.720 0.007 . 3 . . . . 103 Tyr HE2 . 17447 1 1041 . 1 1 98 98 TYR C C 13 177.832 0.011 . 1 . . . . 103 Tyr C . 17447 1 1042 . 1 1 98 98 TYR CA C 13 59.992 0.004 . 1 . . . . 103 Tyr CA . 17447 1 1043 . 1 1 98 98 TYR CB C 13 38.632 0.035 . 1 . . . . 103 Tyr CB . 17447 1 1044 . 1 1 98 98 TYR CD1 C 13 133.415 0.075 . 3 . . . . 103 Tyr CD1 . 17447 1 1045 . 1 1 98 98 TYR CD2 C 13 133.415 0.075 . 3 . . . . 103 Tyr CD2 . 17447 1 1046 . 1 1 98 98 TYR CE1 C 13 116.774 0.043 . 3 . . . . 103 Tyr CE1 . 17447 1 1047 . 1 1 98 98 TYR CE2 C 13 116.774 0.043 . 3 . . . . 103 Tyr CE2 . 17447 1 1048 . 1 1 98 98 TYR N N 15 128.513 0.020 . 1 . . . . 103 Tyr N . 17447 1 1049 . 1 1 99 99 ASP H H 1 8.542 0.003 . 1 . . . . 104 Asp H . 17447 1 1050 . 1 1 99 99 ASP HA H 1 3.852 0.002 . 1 . . . . 104 Asp HA . 17447 1 1051 . 1 1 99 99 ASP HB2 H 1 2.879 0.014 . 2 . . . . 104 Asp HB2 . 17447 1 1052 . 1 1 99 99 ASP HB3 H 1 1.129 0.001 . 2 . . . . 104 Asp HB3 . 17447 1 1053 . 1 1 99 99 ASP C C 13 175.869 0.002 . 1 . . . . 104 Asp C . 17447 1 1054 . 1 1 99 99 ASP CA C 13 54.520 0.034 . 1 . . . . 104 Asp CA . 17447 1 1055 . 1 1 99 99 ASP CB C 13 39.705 0.001 . 1 . . . . 104 Asp CB . 17447 1 1056 . 1 1 99 99 ASP N N 15 129.818 0.019 . 1 . . . . 104 Asp N . 17447 1 1057 . 1 1 100 100 GLY H H 1 7.749 0.002 . 1 . . . . 105 Gly H . 17447 1 1058 . 1 1 100 100 GLY HA2 H 1 3.593 0.001 . 2 . . . . 105 Gly HA2 . 17447 1 1059 . 1 1 100 100 GLY HA3 H 1 4.667 0.001 . 2 . . . . 105 Gly HA3 . 17447 1 1060 . 1 1 100 100 GLY C C 13 178.013 0.001 . 1 . . . . 105 Gly C . 17447 1 1061 . 1 1 100 100 GLY CA C 13 42.624 0.008 . 1 . . . . 105 Gly CA . 17447 1 1062 . 1 1 100 100 GLY N N 15 102.735 0.013 . 1 . . . . 105 Gly N . 17447 1 1063 . 1 1 101 101 PHE H H 1 8.739 0.002 . 1 . . . . 106 Phe H . 17447 1 1064 . 1 1 101 101 PHE HA H 1 4.902 0.001 . 1 . . . . 106 Phe HA . 17447 1 1065 . 1 1 101 101 PHE HB2 H 1 3.034 0.001 . 2 . . . . 106 Phe HB2 . 17447 1 1066 . 1 1 101 101 PHE HD1 H 1 7.239 0.001 . 3 . . . . 106 Phe HD1 . 17447 1 1067 . 1 1 101 101 PHE HD2 H 1 7.239 0.001 . 3 . . . . 106 Phe HD2 . 17447 1 1068 . 1 1 101 101 PHE C C 13 175.754 0.007 . 1 . . . . 106 Phe C . 17447 1 1069 . 1 1 101 101 PHE CA C 13 57.629 0.029 . 1 . . . . 106 Phe CA . 17447 1 1070 . 1 1 101 101 PHE CB C 13 41.310 0.040 . 1 . . . . 106 Phe CB . 17447 1 1071 . 1 1 101 101 PHE CD1 C 13 131.914 0.001 . 3 . . . . 106 Phe CD1 . 17447 1 1072 . 1 1 101 101 PHE CD2 C 13 131.914 0.001 . 3 . . . . 106 Phe CD2 . 17447 1 1073 . 1 1 101 101 PHE N N 15 120.339 0.023 . 1 . . . . 106 Phe N . 17447 1 1074 . 1 1 102 102 ASN H H 1 7.991 0.004 . 1 . . . . 107 Asn H . 17447 1 1075 . 1 1 102 102 ASN HA H 1 6.182 0.002 . 1 . . . . 107 Asn HA . 17447 1 1076 . 1 1 102 102 ASN HB2 H 1 2.873 0.004 . 2 . . . . 107 Asn HB2 . 17447 1 1077 . 1 1 102 102 ASN HB3 H 1 2.137 0.003 . 2 . . . . 107 Asn HB3 . 17447 1 1078 . 1 1 102 102 ASN C C 13 175.369 0.005 . 1 . . . . 107 Asn C . 17447 1 1079 . 1 1 102 102 ASN CA C 13 51.937 0.025 . 1 . . . . 107 Asn CA . 17447 1 1080 . 1 1 102 102 ASN CB C 13 42.695 0.021 . 1 . . . . 107 Asn CB . 17447 1 1081 . 1 1 102 102 ASN N N 15 122.990 0.040 . 1 . . . . 107 Asn N . 17447 1 1082 . 1 1 103 103 THR H H 1 8.702 0.001 . 1 . . . . 108 Thr H . 17447 1 1083 . 1 1 103 103 THR HA H 1 5.278 0.003 . 1 . . . . 108 Thr HA . 17447 1 1084 . 1 1 103 103 THR HB H 1 3.883 0.002 . 1 . . . . 108 Thr HB . 17447 1 1085 . 1 1 103 103 THR HG21 H 1 1.012 0.003 . 1 . . . . 108 Thr HG21 . 17447 1 1086 . 1 1 103 103 THR HG22 H 1 1.012 0.003 . 1 . . . . 108 Thr HG22 . 17447 1 1087 . 1 1 103 103 THR HG23 H 1 1.012 0.003 . 1 . . . . 108 Thr HG23 . 17447 1 1088 . 1 1 103 103 THR C C 13 176.653 0.010 . 1 . . . . 108 Thr C . 17447 1 1089 . 1 1 103 103 THR CA C 13 60.001 0.012 . 1 . . . . 108 Thr CA . 17447 1 1090 . 1 1 103 103 THR CB C 13 70.982 0.047 . 1 . . . . 108 Thr CB . 17447 1 1091 . 1 1 103 103 THR CG2 C 13 21.836 0.026 . 1 . . . . 108 Thr CG2 . 17447 1 1092 . 1 1 103 103 THR N N 15 113.434 0.024 . 1 . . . . 108 Thr N . 17447 1 1093 . 1 1 104 104 PHE H H 1 9.345 0.002 . 1 . . . . 109 Phe H . 17447 1 1094 . 1 1 104 104 PHE HA H 1 5.876 0.004 . 1 . . . . 109 Phe HA . 17447 1 1095 . 1 1 104 104 PHE HB2 H 1 2.923 0.003 . 2 . . . . 109 Phe HB2 . 17447 1 1096 . 1 1 104 104 PHE HB3 H 1 2.781 0.004 . 2 . . . . 109 Phe HB3 . 17447 1 1097 . 1 1 104 104 PHE HD1 H 1 6.699 0.001 . 3 . . . . 109 Phe HD1 . 17447 1 1098 . 1 1 104 104 PHE HD2 H 1 6.699 0.001 . 3 . . . . 109 Phe HD2 . 17447 1 1099 . 1 1 104 104 PHE HE1 H 1 6.577 0.007 . 3 . . . . 109 Phe HE1 . 17447 1 1100 . 1 1 104 104 PHE HE2 H 1 6.577 0.007 . 3 . . . . 109 Phe HE2 . 17447 1 1101 . 1 1 104 104 PHE HZ H 1 6.414 0.005 . 1 . . . . 109 Phe HZ . 17447 1 1102 . 1 1 104 104 PHE C C 13 177.404 0.001 . 1 . . . . 109 Phe C . 17447 1 1103 . 1 1 104 104 PHE CA C 13 56.441 0.042 . 1 . . . . 109 Phe CA . 17447 1 1104 . 1 1 104 104 PHE CB C 13 42.956 0.060 . 1 . . . . 109 Phe CB . 17447 1 1105 . 1 1 104 104 PHE CD1 C 13 131.485 0.001 . 3 . . . . 109 Phe CD1 . 17447 1 1106 . 1 1 104 104 PHE CD2 C 13 131.485 0.001 . 3 . . . . 109 Phe CD2 . 17447 1 1107 . 1 1 104 104 PHE CE1 C 13 129.686 0.060 . 3 . . . . 109 Phe CE1 . 17447 1 1108 . 1 1 104 104 PHE CE2 C 13 129.686 0.060 . 3 . . . . 109 Phe CE2 . 17447 1 1109 . 1 1 104 104 PHE CZ C 13 128.255 0.072 . 1 . . . . 109 Phe CZ . 17447 1 1110 . 1 1 104 104 PHE N N 15 120.104 0.032 . 1 . . . . 109 Phe N . 17447 1 1111 . 1 1 105 105 THR H H 1 8.667 0.002 . 1 . . . . 110 Thr H . 17447 1 1112 . 1 1 105 105 THR HA H 1 4.769 0.004 . 1 . . . . 110 Thr HA . 17447 1 1113 . 1 1 105 105 THR HB H 1 3.860 0.005 . 1 . . . . 110 Thr HB . 17447 1 1114 . 1 1 105 105 THR HG21 H 1 1.088 0.002 . 1 . . . . 110 Thr HG21 . 17447 1 1115 . 1 1 105 105 THR HG22 H 1 1.088 0.002 . 1 . . . . 110 Thr HG22 . 17447 1 1116 . 1 1 105 105 THR HG23 H 1 1.088 0.002 . 1 . . . . 110 Thr HG23 . 17447 1 1117 . 1 1 105 105 THR C C 13 177.033 0.003 . 1 . . . . 110 Thr C . 17447 1 1118 . 1 1 105 105 THR CA C 13 59.279 0.032 . 1 . . . . 110 Thr CA . 17447 1 1119 . 1 1 105 105 THR CB C 13 73.502 0.019 . 1 . . . . 110 Thr CB . 17447 1 1120 . 1 1 105 105 THR CG2 C 13 21.330 0.038 . 1 . . . . 110 Thr CG2 . 17447 1 1121 . 1 1 105 105 THR N N 15 110.532 0.026 . 1 . . . . 110 Thr N . 17447 1 1122 . 1 1 106 106 ILE H H 1 8.130 0.002 . 1 . . . . 111 Ile H . 17447 1 1123 . 1 1 106 106 ILE HA H 1 5.221 0.004 . 1 . . . . 111 Ile HA . 17447 1 1124 . 1 1 106 106 ILE HB H 1 1.561 0.007 . 1 . . . . 111 Ile HB . 17447 1 1125 . 1 1 106 106 ILE HG12 H 1 1.443 0.001 . 2 . . . . 111 Ile HG12 . 17447 1 1126 . 1 1 106 106 ILE HG13 H 1 0.969 0.001 . 2 . . . . 111 Ile HG13 . 17447 1 1127 . 1 1 106 106 ILE HG21 H 1 0.897 0.006 . 1 . . . . 111 Ile HG21 . 17447 1 1128 . 1 1 106 106 ILE HG22 H 1 0.897 0.006 . 1 . . . . 111 Ile HG22 . 17447 1 1129 . 1 1 106 106 ILE HG23 H 1 0.897 0.006 . 1 . . . . 111 Ile HG23 . 17447 1 1130 . 1 1 106 106 ILE HD11 H 1 0.818 0.005 . 1 . . . . 111 Ile HD11 . 17447 1 1131 . 1 1 106 106 ILE HD12 H 1 0.818 0.005 . 1 . . . . 111 Ile HD12 . 17447 1 1132 . 1 1 106 106 ILE HD13 H 1 0.818 0.005 . 1 . . . . 111 Ile HD13 . 17447 1 1133 . 1 1 106 106 ILE C C 13 176.472 0.001 . 1 . . . . 111 Ile C . 17447 1 1134 . 1 1 106 106 ILE CA C 13 56.931 0.034 . 1 . . . . 111 Ile CA . 17447 1 1135 . 1 1 106 106 ILE CB C 13 40.294 0.015 . 1 . . . . 111 Ile CB . 17447 1 1136 . 1 1 106 106 ILE CG2 C 13 17.211 0.025 . 1 . . . . 111 Ile CG2 . 17447 1 1137 . 1 1 106 106 ILE CD1 C 13 13.927 0.018 . 1 . . . . 111 Ile CD1 . 17447 1 1138 . 1 1 106 106 ILE N N 15 118.987 0.022 . 1 . . . . 111 Ile N . 17447 1 1139 . 1 1 107 107 PRO HA H 1 4.474 0.009 . 1 . . . . 112 Pro HA . 17447 1 1140 . 1 1 107 107 PRO HB2 H 1 1.752 0.005 . 2 . . . . 112 Pro HB2 . 17447 1 1141 . 1 1 107 107 PRO HB3 H 1 2.499 0.005 . 2 . . . . 112 Pro HB3 . 17447 1 1142 . 1 1 107 107 PRO HG2 H 1 1.605 0.006 . 2 . . . . 112 Pro HG2 . 17447 1 1143 . 1 1 107 107 PRO HG3 H 1 1.878 0.005 . 2 . . . . 112 Pro HG3 . 17447 1 1144 . 1 1 107 107 PRO HD2 H 1 4.153 0.013 . 2 . . . . 112 Pro HD2 . 17447 1 1145 . 1 1 107 107 PRO HD3 H 1 3.592 0.012 . 2 . . . . 112 Pro HD3 . 17447 1 1146 . 1 1 107 107 PRO C C 13 173.343 0.001 . 1 . . . . 112 Pro C . 17447 1 1147 . 1 1 107 107 PRO CA C 13 64.179 0.007 . 1 . . . . 112 Pro CA . 17447 1 1148 . 1 1 107 107 PRO CB C 13 32.619 0.069 . 1 . . . . 112 Pro CB . 17447 1 1149 . 1 1 107 107 PRO CG C 13 27.370 0.074 . 1 . . . . 112 Pro CG . 17447 1 1150 . 1 1 107 107 PRO CD C 13 51.134 0.036 . 1 . . . . 112 Pro CD . 17447 1 1151 . 1 1 108 108 LYS H H 1 6.873 0.001 . 1 . . . . 113 Lys H . 17447 1 1152 . 1 1 108 108 LYS HA H 1 4.830 0.003 . 1 . . . . 113 Lys HA . 17447 1 1153 . 1 1 108 108 LYS HB2 H 1 1.968 0.004 . 2 . . . . 113 Lys HB2 . 17447 1 1154 . 1 1 108 108 LYS HB3 H 1 1.872 0.006 . 2 . . . . 113 Lys HB3 . 17447 1 1155 . 1 1 108 108 LYS HG2 H 1 1.390 0.005 . 2 . . . . 113 Lys HG2 . 17447 1 1156 . 1 1 108 108 LYS HG3 H 1 1.513 0.003 . 2 . . . . 113 Lys HG3 . 17447 1 1157 . 1 1 108 108 LYS HD2 H 1 1.693 0.007 . 2 . . . . 113 Lys HD2 . 17447 1 1158 . 1 1 108 108 LYS HD3 H 1 1.881 0.006 . 2 . . . . 113 Lys HD3 . 17447 1 1159 . 1 1 108 108 LYS HE2 H 1 2.901 0.003 . 2 . . . . 113 Lys HE2 . 17447 1 1160 . 1 1 108 108 LYS HE3 H 1 3.015 0.002 . 2 . . . . 113 Lys HE3 . 17447 1 1161 . 1 1 108 108 LYS C C 13 176.083 0.001 . 1 . . . . 113 Lys C . 17447 1 1162 . 1 1 108 108 LYS CA C 13 56.201 0.036 . 1 . . . . 113 Lys CA . 17447 1 1163 . 1 1 108 108 LYS CB C 13 37.137 0.072 . 1 . . . . 113 Lys CB . 17447 1 1164 . 1 1 108 108 LYS CG C 13 25.088 0.033 . 1 . . . . 113 Lys CG . 17447 1 1165 . 1 1 108 108 LYS CD C 13 28.244 0.069 . 1 . . . . 113 Lys CD . 17447 1 1166 . 1 1 108 108 LYS CE C 13 41.396 0.031 . 1 . . . . 113 Lys CE . 17447 1 1167 . 1 1 108 108 LYS N N 15 111.254 0.014 . 1 . . . . 113 Lys N . 17447 1 1168 . 1 1 109 109 THR H H 1 8.713 0.002 . 1 . . . . 114 Thr H . 17447 1 1169 . 1 1 109 109 THR HA H 1 4.144 0.013 . 1 . . . . 114 Thr HA . 17447 1 1170 . 1 1 109 109 THR HB H 1 4.125 0.003 . 1 . . . . 114 Thr HB . 17447 1 1171 . 1 1 109 109 THR HG21 H 1 0.616 0.002 . 1 . . . . 114 Thr HG21 . 17447 1 1172 . 1 1 109 109 THR HG22 H 1 0.616 0.002 . 1 . . . . 114 Thr HG22 . 17447 1 1173 . 1 1 109 109 THR HG23 H 1 0.616 0.002 . 1 . . . . 114 Thr HG23 . 17447 1 1174 . 1 1 109 109 THR C C 13 180.807 0.005 . 1 . . . . 114 Thr C . 17447 1 1175 . 1 1 109 109 THR CA C 13 59.955 0.026 . 1 . . . . 114 Thr CA . 17447 1 1176 . 1 1 109 109 THR CB C 13 70.118 0.033 . 1 . . . . 114 Thr CB . 17447 1 1177 . 1 1 109 109 THR CG2 C 13 17.995 0.004 . 1 . . . . 114 Thr CG2 . 17447 1 1178 . 1 1 109 109 THR N N 15 118.337 0.020 . 1 . . . . 114 Thr N . 17447 1 1179 . 1 1 110 110 ASP H H 1 6.833 0.002 . 1 . . . . 115 Asp H . 17447 1 1180 . 1 1 110 110 ASP HA H 1 4.828 0.003 . 1 . . . . 115 Asp HA . 17447 1 1181 . 1 1 110 110 ASP HB2 H 1 3.099 0.002 . 2 . . . . 115 Asp HB2 . 17447 1 1182 . 1 1 110 110 ASP HB3 H 1 2.175 0.002 . 2 . . . . 115 Asp HB3 . 17447 1 1183 . 1 1 110 110 ASP C C 13 171.276 0.002 . 1 . . . . 115 Asp C . 17447 1 1184 . 1 1 110 110 ASP CA C 13 52.332 0.029 . 1 . . . . 115 Asp CA . 17447 1 1185 . 1 1 110 110 ASP CB C 13 42.398 0.001 . 1 . . . . 115 Asp CB . 17447 1 1186 . 1 1 110 110 ASP N N 15 124.626 0.008 . 1 . . . . 115 Asp N . 17447 1 1187 . 1 1 111 111 TYR H H 1 8.732 0.002 . 1 . . . . 116 Tyr H . 17447 1 1188 . 1 1 111 111 TYR HA H 1 3.803 0.001 . 1 . . . . 116 Tyr HA . 17447 1 1189 . 1 1 111 111 TYR HB2 H 1 3.605 0.001 . 2 . . . . 116 Tyr HB2 . 17447 1 1190 . 1 1 111 111 TYR HB3 H 1 2.896 0.001 . 2 . . . . 116 Tyr HB3 . 17447 1 1191 . 1 1 111 111 TYR HD1 H 1 6.789 0.001 . 3 . . . . 116 Tyr HD1 . 17447 1 1192 . 1 1 111 111 TYR HD2 H 1 6.789 0.001 . 3 . . . . 116 Tyr HD2 . 17447 1 1193 . 1 1 111 111 TYR HE1 H 1 6.418 0.002 . 3 . . . . 116 Tyr HE1 . 17447 1 1194 . 1 1 111 111 TYR HE2 H 1 6.418 0.002 . 3 . . . . 116 Tyr HE2 . 17447 1 1195 . 1 1 111 111 TYR C C 13 173.308 0.007 . 1 . . . . 116 Tyr C . 17447 1 1196 . 1 1 111 111 TYR CA C 13 64.335 0.005 . 1 . . . . 116 Tyr CA . 17447 1 1197 . 1 1 111 111 TYR CB C 13 37.216 0.070 . 1 . . . . 116 Tyr CB . 17447 1 1198 . 1 1 111 111 TYR CD1 C 13 132.973 0.034 . 3 . . . . 116 Tyr CD1 . 17447 1 1199 . 1 1 111 111 TYR CD2 C 13 132.973 0.034 . 3 . . . . 116 Tyr CD2 . 17447 1 1200 . 1 1 111 111 TYR CE1 C 13 117.907 0.008 . 3 . . . . 116 Tyr CE1 . 17447 1 1201 . 1 1 111 111 TYR CE2 C 13 117.907 0.008 . 3 . . . . 116 Tyr CE2 . 17447 1 1202 . 1 1 111 111 TYR N N 15 115.669 0.029 . 1 . . . . 116 Tyr N . 17447 1 1203 . 1 1 112 112 ASP H H 1 9.248 0.002 . 1 . . . . 117 Asp H . 17447 1 1204 . 1 1 112 112 ASP HA H 1 4.524 0.001 . 1 . . . . 117 Asp HA . 17447 1 1205 . 1 1 112 112 ASP HB2 H 1 2.757 0.001 . 2 . . . . 117 Asp HB2 . 17447 1 1206 . 1 1 112 112 ASP HB3 H 1 2.374 0.001 . 2 . . . . 117 Asp HB3 . 17447 1 1207 . 1 1 112 112 ASP C C 13 174.621 0.003 . 1 . . . . 117 Asp C . 17447 1 1208 . 1 1 112 112 ASP CA C 13 55.007 0.008 . 1 . . . . 117 Asp CA . 17447 1 1209 . 1 1 112 112 ASP CB C 13 42.806 0.006 . 1 . . . . 117 Asp CB . 17447 1 1210 . 1 1 112 112 ASP N N 15 119.574 0.032 . 1 . . . . 117 Asp N . 17447 1 1211 . 1 1 113 113 ASN H H 1 8.964 0.002 . 1 . . . . 118 Asn H . 17447 1 1212 . 1 1 113 113 ASN HA H 1 5.119 0.001 . 1 . . . . 118 Asn HA . 17447 1 1213 . 1 1 113 113 ASN HB2 H 1 3.030 0.001 . 2 . . . . 118 Asn HB2 . 17447 1 1214 . 1 1 113 113 ASN HB3 H 1 3.552 0.002 . 2 . . . . 118 Asn HB3 . 17447 1 1215 . 1 1 113 113 ASN HD21 H 1 8.572 0.002 . 2 . . . . 118 Asn HD21 . 17447 1 1216 . 1 1 113 113 ASN HD22 H 1 6.998 0.005 . 2 . . . . 118 Asn HD22 . 17447 1 1217 . 1 1 113 113 ASN C C 13 176.177 0.005 . 1 . . . . 118 Asn C . 17447 1 1218 . 1 1 113 113 ASN CA C 13 56.574 0.011 . 1 . . . . 118 Asn CA . 17447 1 1219 . 1 1 113 113 ASN CB C 13 41.934 0.025 . 1 . . . . 118 Asn CB . 17447 1 1220 . 1 1 113 113 ASN N N 15 116.928 0.013 . 1 . . . . 118 Asn N . 17447 1 1221 . 1 1 113 113 ASN ND2 N 15 116.273 0.013 . 1 . . . . 118 Asn ND2 . 17447 1 1222 . 1 1 114 114 PHE H H 1 9.793 0.002 . 1 . . . . 119 Phe H . 17447 1 1223 . 1 1 114 114 PHE HA H 1 6.545 0.005 . 1 . . . . 119 Phe HA . 17447 1 1224 . 1 1 114 114 PHE HB2 H 1 3.135 0.005 . 2 . . . . 119 Phe HB2 . 17447 1 1225 . 1 1 114 114 PHE HB3 H 1 2.890 0.005 . 2 . . . . 119 Phe HB3 . 17447 1 1226 . 1 1 114 114 PHE HD1 H 1 7.043 0.006 . 3 . . . . 119 Phe HD1 . 17447 1 1227 . 1 1 114 114 PHE HD2 H 1 7.043 0.006 . 3 . . . . 119 Phe HD2 . 17447 1 1228 . 1 1 114 114 PHE HE1 H 1 7.134 0.002 . 3 . . . . 119 Phe HE1 . 17447 1 1229 . 1 1 114 114 PHE HE2 H 1 7.134 0.002 . 3 . . . . 119 Phe HE2 . 17447 1 1230 . 1 1 114 114 PHE C C 13 176.855 0.001 . 1 . . . . 119 Phe C . 17447 1 1231 . 1 1 114 114 PHE CA C 13 56.191 0.025 . 1 . . . . 119 Phe CA . 17447 1 1232 . 1 1 114 114 PHE CB C 13 45.527 0.069 . 1 . . . . 119 Phe CB . 17447 1 1233 . 1 1 114 114 PHE CD1 C 13 132.310 0.020 . 3 . . . . 119 Phe CD1 . 17447 1 1234 . 1 1 114 114 PHE CD2 C 13 132.310 0.020 . 3 . . . . 119 Phe CD2 . 17447 1 1235 . 1 1 114 114 PHE CE1 C 13 130.883 0.001 . 3 . . . . 119 Phe CE1 . 17447 1 1236 . 1 1 114 114 PHE CE2 C 13 130.883 0.001 . 3 . . . . 119 Phe CE2 . 17447 1 1237 . 1 1 114 114 PHE N N 15 117.749 0.025 . 1 . . . . 119 Phe N . 17447 1 1238 . 1 1 115 115 LEU H H 1 9.272 0.002 . 1 . . . . 120 Leu H . 17447 1 1239 . 1 1 115 115 LEU HA H 1 4.158 0.008 . 1 . . . . 120 Leu HA . 17447 1 1240 . 1 1 115 115 LEU HB2 H 1 0.928 0.008 . 2 . . . . 120 Leu HB2 . 17447 1 1241 . 1 1 115 115 LEU HB3 H 1 0.556 0.013 . 2 . . . . 120 Leu HB3 . 17447 1 1242 . 1 1 115 115 LEU HG H 1 1.144 0.008 . 1 . . . . 120 Leu HG . 17447 1 1243 . 1 1 115 115 LEU HD11 H 1 0.049 0.003 . 2 . . . . 120 Leu HD11 . 17447 1 1244 . 1 1 115 115 LEU HD12 H 1 0.049 0.003 . 2 . . . . 120 Leu HD12 . 17447 1 1245 . 1 1 115 115 LEU HD13 H 1 0.049 0.003 . 2 . . . . 120 Leu HD13 . 17447 1 1246 . 1 1 115 115 LEU HD21 H 1 0.193 0.003 . 2 . . . . 120 Leu HD21 . 17447 1 1247 . 1 1 115 115 LEU HD22 H 1 0.193 0.003 . 2 . . . . 120 Leu HD22 . 17447 1 1248 . 1 1 115 115 LEU HD23 H 1 0.193 0.003 . 2 . . . . 120 Leu HD23 . 17447 1 1249 . 1 1 115 115 LEU C C 13 176.781 0.003 . 1 . . . . 120 Leu C . 17447 1 1250 . 1 1 115 115 LEU CA C 13 56.805 0.037 . 1 . . . . 120 Leu CA . 17447 1 1251 . 1 1 115 115 LEU CB C 13 45.008 0.073 . 1 . . . . 120 Leu CB . 17447 1 1252 . 1 1 115 115 LEU CG C 13 27.200 0.075 . 1 . . . . 120 Leu CG . 17447 1 1253 . 1 1 115 115 LEU CD1 C 13 24.952 0.036 . 2 . . . . 120 Leu CD1 . 17447 1 1254 . 1 1 115 115 LEU CD2 C 13 26.367 0.006 . 2 . . . . 120 Leu CD2 . 17447 1 1255 . 1 1 115 115 LEU N N 15 126.184 0.020 . 1 . . . . 120 Leu N . 17447 1 1256 . 1 1 116 116 MET H H 1 9.067 0.003 . 1 . . . . 121 Met H . 17447 1 1257 . 1 1 116 116 MET HA H 1 5.865 0.009 . 1 . . . . 121 Met HA . 17447 1 1258 . 1 1 116 116 MET HB2 H 1 1.786 0.010 . 2 . . . . 121 Met HB2 . 17447 1 1259 . 1 1 116 116 MET HG2 H 1 2.774 0.009 . 2 . . . . 121 Met HG2 . 17447 1 1260 . 1 1 116 116 MET C C 13 177.050 0.008 . 1 . . . . 121 Met C . 17447 1 1261 . 1 1 116 116 MET CA C 13 54.738 0.034 . 1 . . . . 121 Met CA . 17447 1 1262 . 1 1 116 116 MET CB C 13 33.598 0.006 . 1 . . . . 121 Met CB . 17447 1 1263 . 1 1 116 116 MET CG C 13 33.960 0.014 . 1 . . . . 121 Met CG . 17447 1 1264 . 1 1 116 116 MET N N 15 125.331 0.038 . 1 . . . . 121 Met N . 17447 1 1265 . 1 1 117 117 ALA H H 1 9.297 0.002 . 1 . . . . 122 Ala H . 17447 1 1266 . 1 1 117 117 ALA HA H 1 5.330 0.001 . 1 . . . . 122 Ala HA . 17447 1 1267 . 1 1 117 117 ALA HB1 H 1 1.190 0.002 . 1 . . . . 122 Ala HB1 . 17447 1 1268 . 1 1 117 117 ALA HB2 H 1 1.190 0.002 . 1 . . . . 122 Ala HB2 . 17447 1 1269 . 1 1 117 117 ALA HB3 H 1 1.190 0.002 . 1 . . . . 122 Ala HB3 . 17447 1 1270 . 1 1 117 117 ALA C C 13 175.060 0.001 . 1 . . . . 122 Ala C . 17447 1 1271 . 1 1 117 117 ALA CA C 13 50.255 0.015 . 1 . . . . 122 Ala CA . 17447 1 1272 . 1 1 117 117 ALA CB C 13 22.485 0.004 . 1 . . . . 122 Ala CB . 17447 1 1273 . 1 1 117 117 ALA N N 15 122.753 0.014 . 1 . . . . 122 Ala N . 17447 1 1274 . 1 1 118 118 HIS H H 1 8.548 0.002 . 1 . . . . 123 His H . 17447 1 1275 . 1 1 118 118 HIS HA H 1 5.385 0.006 . 1 . . . . 123 His HA . 17447 1 1276 . 1 1 118 118 HIS HB2 H 1 3.012 0.004 . 2 . . . . 123 His HB2 . 17447 1 1277 . 1 1 118 118 HIS HB3 H 1 2.408 0.006 . 2 . . . . 123 His HB3 . 17447 1 1278 . 1 1 118 118 HIS HD2 H 1 6.704 0.002 . 1 . . . . 123 His HD2 . 17447 1 1279 . 1 1 118 118 HIS C C 13 178.193 0.001 . 1 . . . . 123 His C . 17447 1 1280 . 1 1 118 118 HIS CA C 13 54.503 0.016 . 1 . . . . 123 His CA . 17447 1 1281 . 1 1 118 118 HIS CB C 13 34.596 0.068 . 1 . . . . 123 His CB . 17447 1 1282 . 1 1 118 118 HIS CD2 C 13 115.939 0.001 . 1 . . . . 123 His CD2 . 17447 1 1283 . 1 1 118 118 HIS N N 15 121.425 0.021 . 1 . . . . 123 His N . 17447 1 1284 . 1 1 119 119 LEU H H 1 9.561 0.002 . 1 . . . . 124 Leu H . 17447 1 1285 . 1 1 119 119 LEU HA H 1 5.381 0.008 . 1 . . . . 124 Leu HA . 17447 1 1286 . 1 1 119 119 LEU HB2 H 1 1.624 0.013 . 2 . . . . 124 Leu HB2 . 17447 1 1287 . 1 1 119 119 LEU HB3 H 1 1.317 0.004 . 2 . . . . 124 Leu HB3 . 17447 1 1288 . 1 1 119 119 LEU HG H 1 1.309 0.006 . 1 . . . . 124 Leu HG . 17447 1 1289 . 1 1 119 119 LEU HD11 H 1 0.620 0.005 . 2 . . . . 124 Leu HD11 . 17447 1 1290 . 1 1 119 119 LEU HD12 H 1 0.620 0.005 . 2 . . . . 124 Leu HD12 . 17447 1 1291 . 1 1 119 119 LEU HD13 H 1 0.620 0.005 . 2 . . . . 124 Leu HD13 . 17447 1 1292 . 1 1 119 119 LEU HD21 H 1 0.636 0.009 . 2 . . . . 124 Leu HD21 . 17447 1 1293 . 1 1 119 119 LEU HD22 H 1 0.636 0.009 . 2 . . . . 124 Leu HD22 . 17447 1 1294 . 1 1 119 119 LEU HD23 H 1 0.636 0.009 . 2 . . . . 124 Leu HD23 . 17447 1 1295 . 1 1 119 119 LEU C C 13 176.683 0.001 . 1 . . . . 124 Leu C . 17447 1 1296 . 1 1 119 119 LEU CA C 13 53.619 0.050 . 1 . . . . 124 Leu CA . 17447 1 1297 . 1 1 119 119 LEU CB C 13 46.231 0.043 . 1 . . . . 124 Leu CB . 17447 1 1298 . 1 1 119 119 LEU CG C 13 24.828 0.007 . 1 . . . . 124 Leu CG . 17447 1 1299 . 1 1 119 119 LEU CD1 C 13 25.328 0.040 . 2 . . . . 124 Leu CD1 . 17447 1 1300 . 1 1 119 119 LEU CD2 C 13 24.474 0.066 . 2 . . . . 124 Leu CD2 . 17447 1 1301 . 1 1 119 119 LEU N N 15 131.709 0.024 . 1 . . . . 124 Leu N . 17447 1 1302 . 1 1 120 120 ILE H H 1 8.972 0.003 . 1 . . . . 125 Ile H . 17447 1 1303 . 1 1 120 120 ILE HA H 1 4.415 0.008 . 1 . . . . 125 Ile HA . 17447 1 1304 . 1 1 120 120 ILE HB H 1 1.599 0.003 . 1 . . . . 125 Ile HB . 17447 1 1305 . 1 1 120 120 ILE HG12 H 1 1.150 0.005 . 2 . . . . 125 Ile HG12 . 17447 1 1306 . 1 1 120 120 ILE HG13 H 1 0.808 0.005 . 2 . . . . 125 Ile HG13 . 17447 1 1307 . 1 1 120 120 ILE HG21 H 1 0.679 0.006 . 1 . . . . 125 Ile HG21 . 17447 1 1308 . 1 1 120 120 ILE HG22 H 1 0.679 0.006 . 1 . . . . 125 Ile HG22 . 17447 1 1309 . 1 1 120 120 ILE HG23 H 1 0.679 0.006 . 1 . . . . 125 Ile HG23 . 17447 1 1310 . 1 1 120 120 ILE HD11 H 1 0.597 0.005 . 1 . . . . 125 Ile HD11 . 17447 1 1311 . 1 1 120 120 ILE HD12 H 1 0.597 0.005 . 1 . . . . 125 Ile HD12 . 17447 1 1312 . 1 1 120 120 ILE HD13 H 1 0.597 0.005 . 1 . . . . 125 Ile HD13 . 17447 1 1313 . 1 1 120 120 ILE C C 13 175.536 0.004 . 1 . . . . 125 Ile C . 17447 1 1314 . 1 1 120 120 ILE CA C 13 60.328 0.024 . 1 . . . . 125 Ile CA . 17447 1 1315 . 1 1 120 120 ILE CB C 13 40.029 0.033 . 1 . . . . 125 Ile CB . 17447 1 1316 . 1 1 120 120 ILE CG1 C 13 27.776 0.080 . 1 . . . . 125 Ile CG1 . 17447 1 1317 . 1 1 120 120 ILE CG2 C 13 17.563 0.030 . 1 . . . . 125 Ile CG2 . 17447 1 1318 . 1 1 120 120 ILE CD1 C 13 13.389 0.019 . 1 . . . . 125 Ile CD1 . 17447 1 1319 . 1 1 120 120 ILE N N 15 125.098 0.038 . 1 . . . . 125 Ile N . 17447 1 1320 . 1 1 121 121 ASN H H 1 8.299 0.002 . 1 . . . . 126 Asn H . 17447 1 1321 . 1 1 121 121 ASN HA H 1 5.045 0.012 . 1 . . . . 126 Asn HA . 17447 1 1322 . 1 1 121 121 ASN HB2 H 1 1.066 0.002 . 2 . . . . 126 Asn HB2 . 17447 1 1323 . 1 1 121 121 ASN HB3 H 1 1.939 0.002 . 2 . . . . 126 Asn HB3 . 17447 1 1324 . 1 1 121 121 ASN C C 13 177.161 0.008 . 1 . . . . 126 Asn C . 17447 1 1325 . 1 1 121 121 ASN CA C 13 52.673 0.121 . 1 . . . . 126 Asn CA . 17447 1 1326 . 1 1 121 121 ASN CB C 13 43.341 0.027 . 1 . . . . 126 Asn CB . 17447 1 1327 . 1 1 121 121 ASN N N 15 128.495 0.021 . 1 . . . . 126 Asn N . 17447 1 1328 . 1 1 122 122 GLU H H 1 8.786 0.004 . 1 . . . . 127 Glu H . 17447 1 1329 . 1 1 122 122 GLU HA H 1 5.001 0.003 . 1 . . . . 127 Glu HA . 17447 1 1330 . 1 1 122 122 GLU HB2 H 1 2.077 0.006 . 2 . . . . 127 Glu HB2 . 17447 1 1331 . 1 1 122 122 GLU HB3 H 1 1.872 0.004 . 2 . . . . 127 Glu HB3 . 17447 1 1332 . 1 1 122 122 GLU HG2 H 1 2.125 0.005 . 2 . . . . 127 Glu HG2 . 17447 1 1333 . 1 1 122 122 GLU HG3 H 1 2.000 0.004 . 2 . . . . 127 Glu HG3 . 17447 1 1334 . 1 1 122 122 GLU C C 13 175.209 0.008 . 1 . . . . 127 Glu C . 17447 1 1335 . 1 1 122 122 GLU CA C 13 55.008 0.035 . 1 . . . . 127 Glu CA . 17447 1 1336 . 1 1 122 122 GLU CB C 13 32.843 0.075 . 1 . . . . 127 Glu CB . 17447 1 1337 . 1 1 122 122 GLU CG C 13 36.431 0.045 . 1 . . . . 127 Glu CG . 17447 1 1338 . 1 1 122 122 GLU N N 15 124.014 0.037 . 1 . . . . 127 Glu N . 17447 1 1339 . 1 1 123 123 LYS H H 1 8.632 0.002 . 1 . . . . 128 Lys H . 17447 1 1340 . 1 1 123 123 LYS HA H 1 4.408 0.005 . 1 . . . . 128 Lys HA . 17447 1 1341 . 1 1 123 123 LYS HB2 H 1 2.025 0.009 . 2 . . . . 128 Lys HB2 . 17447 1 1342 . 1 1 123 123 LYS HB3 H 1 1.792 0.003 . 2 . . . . 128 Lys HB3 . 17447 1 1343 . 1 1 123 123 LYS HG2 H 1 1.232 0.008 . 2 . . . . 128 Lys HG2 . 17447 1 1344 . 1 1 123 123 LYS HG3 H 1 1.083 0.005 . 2 . . . . 128 Lys HG3 . 17447 1 1345 . 1 1 123 123 LYS HD2 H 1 1.422 0.003 . 2 . . . . 128 Lys HD2 . 17447 1 1346 . 1 1 123 123 LYS HD3 H 1 1.526 0.005 . 2 . . . . 128 Lys HD3 . 17447 1 1347 . 1 1 123 123 LYS HE2 H 1 2.779 0.007 . 2 . . . . 128 Lys HE2 . 17447 1 1348 . 1 1 123 123 LYS HE3 H 1 2.857 0.006 . 2 . . . . 128 Lys HE3 . 17447 1 1349 . 1 1 123 123 LYS C C 13 174.412 0.001 . 1 . . . . 128 Lys C . 17447 1 1350 . 1 1 123 123 LYS CA C 13 56.985 0.037 . 1 . . . . 128 Lys CA . 17447 1 1351 . 1 1 123 123 LYS CB C 13 34.675 0.040 . 1 . . . . 128 Lys CB . 17447 1 1352 . 1 1 123 123 LYS CG C 13 25.401 0.031 . 1 . . . . 128 Lys CG . 17447 1 1353 . 1 1 123 123 LYS CD C 13 28.991 0.043 . 1 . . . . 128 Lys CD . 17447 1 1354 . 1 1 123 123 LYS CE C 13 42.364 0.037 . 1 . . . . 128 Lys CE . 17447 1 1355 . 1 1 123 123 LYS N N 15 126.235 0.013 . 1 . . . . 128 Lys N . 17447 1 1356 . 1 1 124 124 ASP H H 1 9.473 0.001 . 1 . . . . 129 Asp H . 17447 1 1357 . 1 1 124 124 ASP HA H 1 4.272 0.002 . 1 . . . . 129 Asp HA . 17447 1 1358 . 1 1 124 124 ASP HB2 H 1 2.904 0.002 . 2 . . . . 129 Asp HB2 . 17447 1 1359 . 1 1 124 124 ASP HB3 H 1 2.607 0.002 . 2 . . . . 129 Asp HB3 . 17447 1 1360 . 1 1 124 124 ASP C C 13 174.830 0.005 . 1 . . . . 129 Asp C . 17447 1 1361 . 1 1 124 124 ASP CA C 13 55.691 0.017 . 1 . . . . 129 Asp CA . 17447 1 1362 . 1 1 124 124 ASP CB C 13 39.705 0.013 . 1 . . . . 129 Asp CB . 17447 1 1363 . 1 1 124 124 ASP N N 15 128.972 0.012 . 1 . . . . 129 Asp N . 17447 1 1364 . 1 1 125 125 GLY H H 1 8.785 0.001 . 1 . . . . 130 Gly H . 17447 1 1365 . 1 1 125 125 GLY HA2 H 1 3.611 0.001 . 2 . . . . 130 Gly HA2 . 17447 1 1366 . 1 1 125 125 GLY HA3 H 1 4.145 0.001 . 2 . . . . 130 Gly HA3 . 17447 1 1367 . 1 1 125 125 GLY C C 13 176.377 0.007 . 1 . . . . 130 Gly C . 17447 1 1368 . 1 1 125 125 GLY CA C 13 45.522 0.020 . 1 . . . . 130 Gly CA . 17447 1 1369 . 1 1 125 125 GLY N N 15 104.567 0.013 . 1 . . . . 130 Gly N . 17447 1 1370 . 1 1 126 126 GLU H H 1 7.910 0.001 . 1 . . . . 131 Glu H . 17447 1 1371 . 1 1 126 126 GLU HA H 1 4.750 0.003 . 1 . . . . 131 Glu HA . 17447 1 1372 . 1 1 126 126 GLU HB2 H 1 2.080 0.008 . 2 . . . . 131 Glu HB2 . 17447 1 1373 . 1 1 126 126 GLU HB3 H 1 2.013 0.010 . 2 . . . . 131 Glu HB3 . 17447 1 1374 . 1 1 126 126 GLU HG2 H 1 2.172 0.004 . 2 . . . . 131 Glu HG2 . 17447 1 1375 . 1 1 126 126 GLU HG3 H 1 2.290 0.006 . 2 . . . . 131 Glu HG3 . 17447 1 1376 . 1 1 126 126 GLU C C 13 173.961 0.003 . 1 . . . . 131 Glu C . 17447 1 1377 . 1 1 126 126 GLU CA C 13 54.757 0.036 . 1 . . . . 131 Glu CA . 17447 1 1378 . 1 1 126 126 GLU CB C 13 32.362 0.059 . 1 . . . . 131 Glu CB . 17447 1 1379 . 1 1 126 126 GLU CG C 13 36.526 0.035 . 1 . . . . 131 Glu CG . 17447 1 1380 . 1 1 126 126 GLU N N 15 120.453 0.008 . 1 . . . . 131 Glu N . 17447 1 1381 . 1 1 127 127 THR H H 1 8.693 0.001 . 1 . . . . 132 Thr H . 17447 1 1382 . 1 1 127 127 THR HA H 1 5.913 0.003 . 1 . . . . 132 Thr HA . 17447 1 1383 . 1 1 127 127 THR HB H 1 3.945 0.003 . 1 . . . . 132 Thr HB . 17447 1 1384 . 1 1 127 127 THR HG21 H 1 1.051 0.001 . 1 . . . . 132 Thr HG21 . 17447 1 1385 . 1 1 127 127 THR HG22 H 1 1.051 0.001 . 1 . . . . 132 Thr HG22 . 17447 1 1386 . 1 1 127 127 THR HG23 H 1 1.051 0.001 . 1 . . . . 132 Thr HG23 . 17447 1 1387 . 1 1 127 127 THR C C 13 176.410 0.008 . 1 . . . . 132 Thr C . 17447 1 1388 . 1 1 127 127 THR CA C 13 59.673 0.023 . 1 . . . . 132 Thr CA . 17447 1 1389 . 1 1 127 127 THR CB C 13 72.187 0.010 . 1 . . . . 132 Thr CB . 17447 1 1390 . 1 1 127 127 THR CG2 C 13 20.337 0.042 . 1 . . . . 132 Thr CG2 . 17447 1 1391 . 1 1 127 127 THR N N 15 117.612 0.013 . 1 . . . . 132 Thr N . 17447 1 1392 . 1 1 128 128 PHE H H 1 8.400 0.002 . 1 . . . . 133 Phe H . 17447 1 1393 . 1 1 128 128 PHE HA H 1 5.008 0.001 . 1 . . . . 133 Phe HA . 17447 1 1394 . 1 1 128 128 PHE HB2 H 1 3.432 0.003 . 2 . . . . 133 Phe HB2 . 17447 1 1395 . 1 1 128 128 PHE HB3 H 1 2.892 0.002 . 2 . . . . 133 Phe HB3 . 17447 1 1396 . 1 1 128 128 PHE HD1 H 1 7.068 0.007 . 3 . . . . 133 Phe HD1 . 17447 1 1397 . 1 1 128 128 PHE HD2 H 1 7.068 0.007 . 3 . . . . 133 Phe HD2 . 17447 1 1398 . 1 1 128 128 PHE HE1 H 1 6.596 0.008 . 3 . . . . 133 Phe HE1 . 17447 1 1399 . 1 1 128 128 PHE HE2 H 1 6.596 0.008 . 3 . . . . 133 Phe HE2 . 17447 1 1400 . 1 1 128 128 PHE HZ H 1 5.289 0.006 . 1 . . . . 133 Phe HZ . 17447 1 1401 . 1 1 128 128 PHE C C 13 179.045 0.004 . 1 . . . . 133 Phe C . 17447 1 1402 . 1 1 128 128 PHE CA C 13 56.930 0.019 . 1 . . . . 133 Phe CA . 17447 1 1403 . 1 1 128 128 PHE CB C 13 41.294 0.038 . 1 . . . . 133 Phe CB . 17447 1 1404 . 1 1 128 128 PHE CD1 C 13 132.714 0.024 . 3 . . . . 133 Phe CD1 . 17447 1 1405 . 1 1 128 128 PHE CD2 C 13 132.714 0.024 . 3 . . . . 133 Phe CD2 . 17447 1 1406 . 1 1 128 128 PHE CE1 C 13 130.496 0.022 . 3 . . . . 133 Phe CE1 . 17447 1 1407 . 1 1 128 128 PHE CE2 C 13 130.496 0.022 . 3 . . . . 133 Phe CE2 . 17447 1 1408 . 1 1 128 128 PHE CZ C 13 128.629 0.035 . 1 . . . . 133 Phe CZ . 17447 1 1409 . 1 1 128 128 PHE N N 15 120.658 0.021 . 1 . . . . 133 Phe N . 17447 1 1410 . 1 1 129 129 GLN H H 1 9.958 0.002 . 1 . . . . 134 Gln H . 17447 1 1411 . 1 1 129 129 GLN HA H 1 5.223 0.010 . 1 . . . . 134 Gln HA . 17447 1 1412 . 1 1 129 129 GLN HB2 H 1 2.451 0.006 . 2 . . . . 134 Gln HB2 . 17447 1 1413 . 1 1 129 129 GLN HB3 H 1 2.208 0.008 . 2 . . . . 134 Gln HB3 . 17447 1 1414 . 1 1 129 129 GLN HG2 H 1 1.919 0.006 . 2 . . . . 134 Gln HG2 . 17447 1 1415 . 1 1 129 129 GLN HG3 H 1 1.841 0.006 . 2 . . . . 134 Gln HG3 . 17447 1 1416 . 1 1 129 129 GLN C C 13 176.278 0.003 . 1 . . . . 134 Gln C . 17447 1 1417 . 1 1 129 129 GLN CA C 13 53.706 0.036 . 1 . . . . 134 Gln CA . 17447 1 1418 . 1 1 129 129 GLN CB C 13 34.603 0.115 . 1 . . . . 134 Gln CB . 17447 1 1419 . 1 1 129 129 GLN CG C 13 34.494 0.037 . 1 . . . . 134 Gln CG . 17447 1 1420 . 1 1 129 129 GLN N N 15 118.225 0.021 . 1 . . . . 134 Gln N . 17447 1 1421 . 1 1 130 130 LEU H H 1 9.529 0.002 . 1 . . . . 135 Leu H . 17447 1 1422 . 1 1 130 130 LEU HA H 1 5.314 0.004 . 1 . . . . 135 Leu HA . 17447 1 1423 . 1 1 130 130 LEU HB2 H 1 1.741 0.008 . 2 . . . . 135 Leu HB2 . 17447 1 1424 . 1 1 130 130 LEU HB3 H 1 1.418 0.007 . 2 . . . . 135 Leu HB3 . 17447 1 1425 . 1 1 130 130 LEU HG H 1 1.752 0.002 . 1 . . . . 135 Leu HG . 17447 1 1426 . 1 1 130 130 LEU HD11 H 1 0.873 0.002 . 2 . . . . 135 Leu HD11 . 17447 1 1427 . 1 1 130 130 LEU HD12 H 1 0.873 0.002 . 2 . . . . 135 Leu HD12 . 17447 1 1428 . 1 1 130 130 LEU HD13 H 1 0.873 0.002 . 2 . . . . 135 Leu HD13 . 17447 1 1429 . 1 1 130 130 LEU HD21 H 1 0.994 0.003 . 2 . . . . 135 Leu HD21 . 17447 1 1430 . 1 1 130 130 LEU HD22 H 1 0.994 0.003 . 2 . . . . 135 Leu HD22 . 17447 1 1431 . 1 1 130 130 LEU HD23 H 1 0.994 0.003 . 2 . . . . 135 Leu HD23 . 17447 1 1432 . 1 1 130 130 LEU C C 13 175.678 0.005 . 1 . . . . 135 Leu C . 17447 1 1433 . 1 1 130 130 LEU CA C 13 53.292 0.010 . 1 . . . . 135 Leu CA . 17447 1 1434 . 1 1 130 130 LEU CB C 13 46.918 0.046 . 1 . . . . 135 Leu CB . 17447 1 1435 . 1 1 130 130 LEU CG C 13 27.248 0.007 . 1 . . . . 135 Leu CG . 17447 1 1436 . 1 1 130 130 LEU CD1 C 13 25.546 0.023 . 2 . . . . 135 Leu CD1 . 17447 1 1437 . 1 1 130 130 LEU CD2 C 13 27.156 0.023 . 2 . . . . 135 Leu CD2 . 17447 1 1438 . 1 1 130 130 LEU N N 15 125.826 0.039 . 1 . . . . 135 Leu N . 17447 1 1439 . 1 1 131 131 MET H H 1 9.402 0.002 . 1 . . . . 136 Met H . 17447 1 1440 . 1 1 131 131 MET HA H 1 5.612 0.010 . 1 . . . . 136 Met HA . 17447 1 1441 . 1 1 131 131 MET HB2 H 1 1.653 0.004 . 2 . . . . 136 Met HB2 . 17447 1 1442 . 1 1 131 131 MET HB3 H 1 2.124 0.008 . 2 . . . . 136 Met HB3 . 17447 1 1443 . 1 1 131 131 MET HG2 H 1 2.245 0.003 . 2 . . . . 136 Met HG2 . 17447 1 1444 . 1 1 131 131 MET C C 13 175.717 0.003 . 1 . . . . 136 Met C . 17447 1 1445 . 1 1 131 131 MET CA C 13 53.786 0.050 . 1 . . . . 136 Met CA . 17447 1 1446 . 1 1 131 131 MET CB C 13 36.813 0.073 . 1 . . . . 136 Met CB . 17447 1 1447 . 1 1 131 131 MET CG C 13 34.014 0.033 . 1 . . . . 136 Met CG . 17447 1 1448 . 1 1 131 131 MET N N 15 124.812 0.044 . 1 . . . . 136 Met N . 17447 1 1449 . 1 1 132 132 GLY H H 1 8.924 0.002 . 1 . . . . 137 Gly H . 17447 1 1450 . 1 1 132 132 GLY HA2 H 1 5.040 0.001 . 2 . . . . 137 Gly HA2 . 17447 1 1451 . 1 1 132 132 GLY HA3 H 1 3.438 0.001 . 2 . . . . 137 Gly HA3 . 17447 1 1452 . 1 1 132 132 GLY C C 13 180.193 0.007 . 1 . . . . 137 Gly C . 17447 1 1453 . 1 1 132 132 GLY CA C 13 44.335 0.010 . 1 . . . . 137 Gly CA . 17447 1 1454 . 1 1 132 132 GLY N N 15 108.955 0.024 . 1 . . . . 137 Gly N . 17447 1 1455 . 1 1 133 133 LEU H H 1 8.274 0.002 . 1 . . . . 138 Leu H . 17447 1 1456 . 1 1 133 133 LEU HA H 1 4.574 0.013 . 1 . . . . 138 Leu HA . 17447 1 1457 . 1 1 133 133 LEU HB2 H 1 0.829 0.008 . 2 . . . . 138 Leu HB2 . 17447 1 1458 . 1 1 133 133 LEU HB3 H 1 -0.723 0.007 . 2 . . . . 138 Leu HB3 . 17447 1 1459 . 1 1 133 133 LEU HG H 1 0.975 0.002 . 1 . . . . 138 Leu HG . 17447 1 1460 . 1 1 133 133 LEU HD11 H 1 0.699 0.007 . 2 . . . . 138 Leu HD11 . 17447 1 1461 . 1 1 133 133 LEU HD12 H 1 0.699 0.007 . 2 . . . . 138 Leu HD12 . 17447 1 1462 . 1 1 133 133 LEU HD13 H 1 0.699 0.007 . 2 . . . . 138 Leu HD13 . 17447 1 1463 . 1 1 133 133 LEU HD21 H 1 0.410 0.005 . 2 . . . . 138 Leu HD21 . 17447 1 1464 . 1 1 133 133 LEU HD22 H 1 0.410 0.005 . 2 . . . . 138 Leu HD22 . 17447 1 1465 . 1 1 133 133 LEU HD23 H 1 0.410 0.005 . 2 . . . . 138 Leu HD23 . 17447 1 1466 . 1 1 133 133 LEU C C 13 177.170 0.012 . 1 . . . . 138 Leu C . 17447 1 1467 . 1 1 133 133 LEU CA C 13 52.553 0.012 . 1 . . . . 138 Leu CA . 17447 1 1468 . 1 1 133 133 LEU CB C 13 42.312 0.052 . 1 . . . . 138 Leu CB . 17447 1 1469 . 1 1 133 133 LEU CG C 13 27.151 0.020 . 1 . . . . 138 Leu CG . 17447 1 1470 . 1 1 133 133 LEU CD1 C 13 23.780 0.016 . 2 . . . . 138 Leu CD1 . 17447 1 1471 . 1 1 133 133 LEU CD2 C 13 26.299 0.037 . 2 . . . . 138 Leu CD2 . 17447 1 1472 . 1 1 133 133 LEU N N 15 124.131 0.018 . 1 . . . . 138 Leu N . 17447 1 1473 . 1 1 134 134 TYR H H 1 9.364 0.004 . 1 . . . . 139 Tyr H . 17447 1 1474 . 1 1 134 134 TYR HA H 1 5.639 0.001 . 1 . . . . 139 Tyr HA . 17447 1 1475 . 1 1 134 134 TYR HB2 H 1 2.386 0.004 . 2 . . . . 139 Tyr HB2 . 17447 1 1476 . 1 1 134 134 TYR HB3 H 1 2.964 0.001 . 2 . . . . 139 Tyr HB3 . 17447 1 1477 . 1 1 134 134 TYR HD1 H 1 6.740 0.004 . 3 . . . . 139 Tyr HD1 . 17447 1 1478 . 1 1 134 134 TYR HD2 H 1 6.740 0.004 . 3 . . . . 139 Tyr HD2 . 17447 1 1479 . 1 1 134 134 TYR HE1 H 1 6.561 0.003 . 3 . . . . 139 Tyr HE1 . 17447 1 1480 . 1 1 134 134 TYR HE2 H 1 6.561 0.003 . 3 . . . . 139 Tyr HE2 . 17447 1 1481 . 1 1 134 134 TYR C C 13 175.352 0.001 . 1 . . . . 139 Tyr C . 17447 1 1482 . 1 1 134 134 TYR CA C 13 55.894 0.024 . 1 . . . . 139 Tyr CA . 17447 1 1483 . 1 1 134 134 TYR CB C 13 40.602 0.073 . 1 . . . . 139 Tyr CB . 17447 1 1484 . 1 1 134 134 TYR CD1 C 13 134.058 0.012 . 3 . . . . 139 Tyr CD1 . 17447 1 1485 . 1 1 134 134 TYR CD2 C 13 134.058 0.012 . 3 . . . . 139 Tyr CD2 . 17447 1 1486 . 1 1 134 134 TYR CE1 C 13 116.865 0.096 . 3 . . . . 139 Tyr CE1 . 17447 1 1487 . 1 1 134 134 TYR CE2 C 13 116.865 0.096 . 3 . . . . 139 Tyr CE2 . 17447 1 1488 . 1 1 134 134 TYR N N 15 126.458 0.016 . 1 . . . . 139 Tyr N . 17447 1 1489 . 1 1 135 135 GLY H H 1 9.564 0.002 . 1 . . . . 140 Gly H . 17447 1 1490 . 1 1 135 135 GLY HA2 H 1 4.213 0.001 . 2 . . . . 140 Gly HA2 . 17447 1 1491 . 1 1 135 135 GLY HA3 H 1 3.929 0.001 . 2 . . . . 140 Gly HA3 . 17447 1 1492 . 1 1 135 135 GLY C C 13 175.551 0.016 . 1 . . . . 140 Gly C . 17447 1 1493 . 1 1 135 135 GLY CA C 13 43.964 0.040 . 1 . . . . 140 Gly CA . 17447 1 1494 . 1 1 135 135 GLY N N 15 108.224 0.036 . 1 . . . . 140 Gly N . 17447 1 1495 . 1 1 136 136 ARG H H 1 8.319 0.002 . 1 . . . . 141 Arg H . 17447 1 1496 . 1 1 136 136 ARG HA H 1 3.829 0.008 . 1 . . . . 141 Arg HA . 17447 1 1497 . 1 1 136 136 ARG HB2 H 1 1.922 0.005 . 2 . . . . 141 Arg HB2 . 17447 1 1498 . 1 1 136 136 ARG HB3 H 1 1.724 0.006 . 2 . . . . 141 Arg HB3 . 17447 1 1499 . 1 1 136 136 ARG HG2 H 1 1.165 0.006 . 2 . . . . 141 Arg HG2 . 17447 1 1500 . 1 1 136 136 ARG HD2 H 1 3.148 0.001 . 2 . . . . 141 Arg HD2 . 17447 1 1501 . 1 1 136 136 ARG HD3 H 1 3.048 0.003 . 2 . . . . 141 Arg HD3 . 17447 1 1502 . 1 1 136 136 ARG C C 13 172.958 0.003 . 1 . . . . 141 Arg C . 17447 1 1503 . 1 1 136 136 ARG CA C 13 56.420 0.032 . 1 . . . . 141 Arg CA . 17447 1 1504 . 1 1 136 136 ARG CB C 13 30.774 0.054 . 1 . . . . 141 Arg CB . 17447 1 1505 . 1 1 136 136 ARG CG C 13 25.355 0.010 . 1 . . . . 141 Arg CG . 17447 1 1506 . 1 1 136 136 ARG CD C 13 43.109 0.012 . 1 . . . . 141 Arg CD . 17447 1 1507 . 1 1 136 136 ARG N N 15 121.894 0.037 . 1 . . . . 141 Arg N . 17447 1 1508 . 1 1 137 137 GLU H H 1 8.349 0.002 . 1 . . . . 142 Glu H . 17447 1 1509 . 1 1 137 137 GLU HA H 1 4.508 0.005 . 1 . . . . 142 Glu HA . 17447 1 1510 . 1 1 137 137 GLU HB2 H 1 2.167 0.013 . 2 . . . . 142 Glu HB2 . 17447 1 1511 . 1 1 137 137 GLU HB3 H 1 1.943 0.003 . 2 . . . . 142 Glu HB3 . 17447 1 1512 . 1 1 137 137 GLU HG2 H 1 2.173 0.003 . 2 . . . . 142 Glu HG2 . 17447 1 1513 . 1 1 137 137 GLU HG3 H 1 2.310 0.004 . 2 . . . . 142 Glu HG3 . 17447 1 1514 . 1 1 137 137 GLU C C 13 176.344 0.001 . 1 . . . . 142 Glu C . 17447 1 1515 . 1 1 137 137 GLU CA C 13 53.508 0.033 . 1 . . . . 142 Glu CA . 17447 1 1516 . 1 1 137 137 GLU CB C 13 30.544 0.057 . 1 . . . . 142 Glu CB . 17447 1 1517 . 1 1 137 137 GLU CG C 13 36.272 0.017 . 1 . . . . 142 Glu CG . 17447 1 1518 . 1 1 137 137 GLU N N 15 118.495 0.028 . 1 . . . . 142 Glu N . 17447 1 1519 . 1 1 138 138 PRO HA H 1 3.613 0.005 . 1 . . . . 143 Pro HA . 17447 1 1520 . 1 1 138 138 PRO HB2 H 1 1.813 0.003 . 2 . . . . 143 Pro HB2 . 17447 1 1521 . 1 1 138 138 PRO HB3 H 1 1.701 0.004 . 2 . . . . 143 Pro HB3 . 17447 1 1522 . 1 1 138 138 PRO HG2 H 1 1.705 0.003 . 2 . . . . 143 Pro HG2 . 17447 1 1523 . 1 1 138 138 PRO HG3 H 1 1.136 0.004 . 2 . . . . 143 Pro HG3 . 17447 1 1524 . 1 1 138 138 PRO HD2 H 1 3.462 0.005 . 2 . . . . 143 Pro HD2 . 17447 1 1525 . 1 1 138 138 PRO HD3 H 1 3.124 0.003 . 2 . . . . 143 Pro HD3 . 17447 1 1526 . 1 1 138 138 PRO C C 13 175.982 0.001 . 1 . . . . 143 Pro C . 17447 1 1527 . 1 1 138 138 PRO CA C 13 63.485 0.009 . 1 . . . . 143 Pro CA . 17447 1 1528 . 1 1 138 138 PRO CB C 13 31.191 0.046 . 1 . . . . 143 Pro CB . 17447 1 1529 . 1 1 138 138 PRO CG C 13 26.962 0.054 . 1 . . . . 143 Pro CG . 17447 1 1530 . 1 1 138 138 PRO CD C 13 50.076 0.046 . 1 . . . . 143 Pro CD . 17447 1 1531 . 1 1 139 139 ASP H H 1 7.127 0.001 . 1 . . . . 144 Asp H . 17447 1 1532 . 1 1 139 139 ASP HA H 1 4.828 0.001 . 1 . . . . 144 Asp HA . 17447 1 1533 . 1 1 139 139 ASP HB2 H 1 2.342 0.005 . 2 . . . . 144 Asp HB2 . 17447 1 1534 . 1 1 139 139 ASP HB3 H 1 2.523 0.004 . 2 . . . . 144 Asp HB3 . 17447 1 1535 . 1 1 139 139 ASP C C 13 175.813 0.012 . 1 . . . . 144 Asp C . 17447 1 1536 . 1 1 139 139 ASP CA C 13 52.253 0.025 . 1 . . . . 144 Asp CA . 17447 1 1537 . 1 1 139 139 ASP CB C 13 43.662 0.015 . 1 . . . . 144 Asp CB . 17447 1 1538 . 1 1 139 139 ASP N N 15 114.018 0.016 . 1 . . . . 144 Asp N . 17447 1 1539 . 1 1 140 140 LEU H H 1 8.420 0.002 . 1 . . . . 145 Leu H . 17447 1 1540 . 1 1 140 140 LEU HA H 1 4.754 0.003 . 1 . . . . 145 Leu HA . 17447 1 1541 . 1 1 140 140 LEU HB2 H 1 1.539 0.006 . 2 . . . . 145 Leu HB2 . 17447 1 1542 . 1 1 140 140 LEU HB3 H 1 1.190 0.008 . 2 . . . . 145 Leu HB3 . 17447 1 1543 . 1 1 140 140 LEU HG H 1 1.523 0.004 . 1 . . . . 145 Leu HG . 17447 1 1544 . 1 1 140 140 LEU HD11 H 1 1.247 0.001 . 2 . . . . 145 Leu HD11 . 17447 1 1545 . 1 1 140 140 LEU HD12 H 1 1.247 0.001 . 2 . . . . 145 Leu HD12 . 17447 1 1546 . 1 1 140 140 LEU HD13 H 1 1.247 0.001 . 2 . . . . 145 Leu HD13 . 17447 1 1547 . 1 1 140 140 LEU HD21 H 1 0.837 0.002 . 2 . . . . 145 Leu HD21 . 17447 1 1548 . 1 1 140 140 LEU HD22 H 1 0.837 0.002 . 2 . . . . 145 Leu HD22 . 17447 1 1549 . 1 1 140 140 LEU HD23 H 1 0.837 0.002 . 2 . . . . 145 Leu HD23 . 17447 1 1550 . 1 1 140 140 LEU C C 13 174.835 0.003 . 1 . . . . 145 Leu C . 17447 1 1551 . 1 1 140 140 LEU CA C 13 52.715 0.064 . 1 . . . . 145 Leu CA . 17447 1 1552 . 1 1 140 140 LEU CB C 13 49.165 0.042 . 1 . . . . 145 Leu CB . 17447 1 1553 . 1 1 140 140 LEU CG C 13 26.797 0.066 . 1 . . . . 145 Leu CG . 17447 1 1554 . 1 1 140 140 LEU CD1 C 13 24.278 0.003 . 2 . . . . 145 Leu CD1 . 17447 1 1555 . 1 1 140 140 LEU CD2 C 13 27.809 0.043 . 2 . . . . 145 Leu CD2 . 17447 1 1556 . 1 1 140 140 LEU N N 15 119.251 0.007 . 1 . . . . 145 Leu N . 17447 1 1557 . 1 1 141 141 SER H H 1 8.138 0.001 . 1 . . . . 146 Ser H . 17447 1 1558 . 1 1 141 141 SER HA H 1 4.232 0.009 . 1 . . . . 146 Ser HA . 17447 1 1559 . 1 1 141 141 SER HB2 H 1 3.933 0.007 . 2 . . . . 146 Ser HB2 . 17447 1 1560 . 1 1 141 141 SER HB3 H 1 4.209 0.001 . 2 . . . . 146 Ser HB3 . 17447 1 1561 . 1 1 141 141 SER C C 13 174.852 0.001 . 1 . . . . 146 Ser C . 17447 1 1562 . 1 1 141 141 SER CA C 13 58.129 0.012 . 1 . . . . 146 Ser CA . 17447 1 1563 . 1 1 141 141 SER CB C 13 64.253 0.020 . 1 . . . . 146 Ser CB . 17447 1 1564 . 1 1 141 141 SER N N 15 114.303 0.005 . 1 . . . . 146 Ser N . 17447 1 1565 . 1 1 142 142 SER H H 1 8.938 0.001 . 1 . . . . 147 Ser H . 17447 1 1566 . 1 1 142 142 SER HA H 1 3.886 0.001 . 1 . . . . 147 Ser HA . 17447 1 1567 . 1 1 142 142 SER HB2 H 1 3.918 0.001 . 2 . . . . 147 Ser HB2 . 17447 1 1568 . 1 1 142 142 SER C C 13 174.077 0.001 . 1 . . . . 147 Ser C . 17447 1 1569 . 1 1 142 142 SER CA C 13 61.823 0.061 . 1 . . . . 147 Ser CA . 17447 1 1570 . 1 1 142 142 SER CB C 13 62.494 0.054 . 1 . . . . 147 Ser CB . 17447 1 1571 . 1 1 142 142 SER N N 15 117.880 0.017 . 1 . . . . 147 Ser N . 17447 1 1572 . 1 1 143 143 ASP H H 1 8.503 0.005 . 1 . . . . 148 Asp H . 17447 1 1573 . 1 1 143 143 ASP HA H 1 4.281 0.001 . 1 . . . . 148 Asp HA . 17447 1 1574 . 1 1 143 143 ASP HB2 H 1 2.502 0.001 . 2 . . . . 148 Asp HB2 . 17447 1 1575 . 1 1 143 143 ASP HB3 H 1 2.589 0.001 . 2 . . . . 148 Asp HB3 . 17447 1 1576 . 1 1 143 143 ASP C C 13 171.799 0.007 . 1 . . . . 148 Asp C . 17447 1 1577 . 1 1 143 143 ASP CA C 13 56.962 0.019 . 1 . . . . 148 Asp CA . 17447 1 1578 . 1 1 143 143 ASP CB C 13 39.826 0.030 . 1 . . . . 148 Asp CB . 17447 1 1579 . 1 1 143 143 ASP N N 15 120.661 0.022 . 1 . . . . 148 Asp N . 17447 1 1580 . 1 1 144 144 ILE H H 1 7.338 0.001 . 1 . . . . 149 Ile H . 17447 1 1581 . 1 1 144 144 ILE HA H 1 3.339 0.003 . 1 . . . . 149 Ile HA . 17447 1 1582 . 1 1 144 144 ILE HB H 1 1.704 0.004 . 1 . . . . 149 Ile HB . 17447 1 1583 . 1 1 144 144 ILE HG12 H 1 1.364 0.004 . 2 . . . . 149 Ile HG12 . 17447 1 1584 . 1 1 144 144 ILE HG13 H 1 0.752 0.007 . 2 . . . . 149 Ile HG13 . 17447 1 1585 . 1 1 144 144 ILE HG21 H 1 0.353 0.003 . 1 . . . . 149 Ile HG21 . 17447 1 1586 . 1 1 144 144 ILE HG22 H 1 0.353 0.003 . 1 . . . . 149 Ile HG22 . 17447 1 1587 . 1 1 144 144 ILE HG23 H 1 0.353 0.003 . 1 . . . . 149 Ile HG23 . 17447 1 1588 . 1 1 144 144 ILE HD11 H 1 0.681 0.005 . 1 . . . . 149 Ile HD11 . 17447 1 1589 . 1 1 144 144 ILE HD12 H 1 0.681 0.005 . 1 . . . . 149 Ile HD12 . 17447 1 1590 . 1 1 144 144 ILE HD13 H 1 0.681 0.005 . 1 . . . . 149 Ile HD13 . 17447 1 1591 . 1 1 144 144 ILE C C 13 172.557 0.002 . 1 . . . . 149 Ile C . 17447 1 1592 . 1 1 144 144 ILE CA C 13 63.953 0.020 . 1 . . . . 149 Ile CA . 17447 1 1593 . 1 1 144 144 ILE CB C 13 36.893 0.075 . 1 . . . . 149 Ile CB . 17447 1 1594 . 1 1 144 144 ILE CG1 C 13 28.773 0.061 . 1 . . . . 149 Ile CG1 . 17447 1 1595 . 1 1 144 144 ILE CG2 C 13 18.496 0.009 . 1 . . . . 149 Ile CG2 . 17447 1 1596 . 1 1 144 144 ILE CD1 C 13 12.940 0.020 . 1 . . . . 149 Ile CD1 . 17447 1 1597 . 1 1 144 144 ILE N N 15 121.580 0.012 . 1 . . . . 149 Ile N . 17447 1 1598 . 1 1 145 145 LYS H H 1 7.514 0.002 . 1 . . . . 150 Lys H . 17447 1 1599 . 1 1 145 145 LYS HA H 1 3.586 0.006 . 1 . . . . 150 Lys HA . 17447 1 1600 . 1 1 145 145 LYS HB2 H 1 1.707 0.002 . 2 . . . . 150 Lys HB2 . 17447 1 1601 . 1 1 145 145 LYS HB3 H 1 1.905 0.001 . 2 . . . . 150 Lys HB3 . 17447 1 1602 . 1 1 145 145 LYS HG2 H 1 0.662 0.004 . 2 . . . . 150 Lys HG2 . 17447 1 1603 . 1 1 145 145 LYS HD2 H 1 1.507 0.001 . 2 . . . . 150 Lys HD2 . 17447 1 1604 . 1 1 145 145 LYS C C 13 171.426 0.005 . 1 . . . . 150 Lys C . 17447 1 1605 . 1 1 145 145 LYS CA C 13 61.189 0.020 . 1 . . . . 150 Lys CA . 17447 1 1606 . 1 1 145 145 LYS CB C 13 31.642 0.068 . 1 . . . . 150 Lys CB . 17447 1 1607 . 1 1 145 145 LYS CG C 13 26.874 0.021 . 1 . . . . 150 Lys CG . 17447 1 1608 . 1 1 145 145 LYS N N 15 119.131 0.043 . 1 . . . . 150 Lys N . 17447 1 1609 . 1 1 146 146 GLU H H 1 8.159 0.002 . 1 . . . . 151 Glu H . 17447 1 1610 . 1 1 146 146 GLU HA H 1 4.285 0.005 . 1 . . . . 151 Glu HA . 17447 1 1611 . 1 1 146 146 GLU HB2 H 1 1.906 0.005 . 2 . . . . 151 Glu HB2 . 17447 1 1612 . 1 1 146 146 GLU HB3 H 1 2.062 0.004 . 2 . . . . 151 Glu HB3 . 17447 1 1613 . 1 1 146 146 GLU HG2 H 1 2.134 0.010 . 2 . . . . 151 Glu HG2 . 17447 1 1614 . 1 1 146 146 GLU HG3 H 1 2.334 0.004 . 2 . . . . 151 Glu HG3 . 17447 1 1615 . 1 1 146 146 GLU C C 13 171.961 0.007 . 1 . . . . 151 Glu C . 17447 1 1616 . 1 1 146 146 GLU CA C 13 58.402 0.025 . 1 . . . . 151 Glu CA . 17447 1 1617 . 1 1 146 146 GLU CB C 13 28.357 0.093 . 1 . . . . 151 Glu CB . 17447 1 1618 . 1 1 146 146 GLU CG C 13 34.994 0.010 . 1 . . . . 151 Glu CG . 17447 1 1619 . 1 1 146 146 GLU N N 15 120.618 0.023 . 1 . . . . 151 Glu N . 17447 1 1620 . 1 1 147 147 ARG H H 1 7.733 0.001 . 1 . . . . 152 Arg H . 17447 1 1621 . 1 1 147 147 ARG HA H 1 3.924 0.005 . 1 . . . . 152 Arg HA . 17447 1 1622 . 1 1 147 147 ARG HB2 H 1 1.699 0.004 . 2 . . . . 152 Arg HB2 . 17447 1 1623 . 1 1 147 147 ARG HG2 H 1 1.817 0.006 . 2 . . . . 152 Arg HG2 . 17447 1 1624 . 1 1 147 147 ARG HG3 H 1 1.480 0.009 . 2 . . . . 152 Arg HG3 . 17447 1 1625 . 1 1 147 147 ARG HD2 H 1 2.817 0.006 . 2 . . . . 152 Arg HD2 . 17447 1 1626 . 1 1 147 147 ARG HD3 H 1 3.074 0.008 . 2 . . . . 152 Arg HD3 . 17447 1 1627 . 1 1 147 147 ARG C C 13 170.518 0.004 . 1 . . . . 152 Arg C . 17447 1 1628 . 1 1 147 147 ARG CA C 13 59.551 0.032 . 1 . . . . 152 Arg CA . 17447 1 1629 . 1 1 147 147 ARG CB C 13 30.048 0.082 . 1 . . . . 152 Arg CB . 17447 1 1630 . 1 1 147 147 ARG CG C 13 27.465 0.120 . 1 . . . . 152 Arg CG . 17447 1 1631 . 1 1 147 147 ARG CD C 13 43.826 0.021 . 1 . . . . 152 Arg CD . 17447 1 1632 . 1 1 147 147 ARG N N 15 120.585 0.009 . 1 . . . . 152 Arg N . 17447 1 1633 . 1 1 148 148 PHE H H 1 8.349 0.002 . 1 . . . . 153 Phe H . 17447 1 1634 . 1 1 148 148 PHE HA H 1 4.158 0.006 . 1 . . . . 153 Phe HA . 17447 1 1635 . 1 1 148 148 PHE HB2 H 1 2.929 0.005 . 2 . . . . 153 Phe HB2 . 17447 1 1636 . 1 1 148 148 PHE HB3 H 1 3.256 0.001 . 2 . . . . 153 Phe HB3 . 17447 1 1637 . 1 1 148 148 PHE C C 13 174.017 0.009 . 1 . . . . 153 Phe C . 17447 1 1638 . 1 1 148 148 PHE CA C 13 61.215 0.030 . 1 . . . . 153 Phe CA . 17447 1 1639 . 1 1 148 148 PHE CB C 13 39.561 0.007 . 1 . . . . 153 Phe CB . 17447 1 1640 . 1 1 148 148 PHE N N 15 120.102 0.057 . 1 . . . . 153 Phe N . 17447 1 1641 . 1 1 149 149 ALA H H 1 8.167 0.002 . 1 . . . . 154 Ala H . 17447 1 1642 . 1 1 149 149 ALA HA H 1 3.684 0.001 . 1 . . . . 154 Ala HA . 17447 1 1643 . 1 1 149 149 ALA HB1 H 1 1.407 0.001 . 1 . . . . 154 Ala HB1 . 17447 1 1644 . 1 1 149 149 ALA HB2 H 1 1.407 0.001 . 1 . . . . 154 Ala HB2 . 17447 1 1645 . 1 1 149 149 ALA HB3 H 1 1.407 0.001 . 1 . . . . 154 Ala HB3 . 17447 1 1646 . 1 1 149 149 ALA C C 13 170.912 0.008 . 1 . . . . 154 Ala C . 17447 1 1647 . 1 1 149 149 ALA CA C 13 55.916 0.023 . 1 . . . . 154 Ala CA . 17447 1 1648 . 1 1 149 149 ALA CB C 13 17.428 0.030 . 1 . . . . 154 Ala CB . 17447 1 1649 . 1 1 149 149 ALA N N 15 124.035 0.008 . 1 . . . . 154 Ala N . 17447 1 1650 . 1 1 150 150 GLN H H 1 7.939 0.001 . 1 . . . . 155 Gln H . 17447 1 1651 . 1 1 150 150 GLN HA H 1 3.963 0.003 . 1 . . . . 155 Gln HA . 17447 1 1652 . 1 1 150 150 GLN HB2 H 1 2.019 0.004 . 2 . . . . 155 Gln HB2 . 17447 1 1653 . 1 1 150 150 GLN HG2 H 1 2.253 0.004 . 2 . . . . 155 Gln HG2 . 17447 1 1654 . 1 1 150 150 GLN HG3 H 1 2.501 0.005 . 2 . . . . 155 Gln HG3 . 17447 1 1655 . 1 1 150 150 GLN HE21 H 1 7.949 0.002 . 2 . . . . 155 Gln HE21 . 17447 1 1656 . 1 1 150 150 GLN HE22 H 1 6.664 0.003 . 2 . . . . 155 Gln HE22 . 17447 1 1657 . 1 1 150 150 GLN C C 13 171.808 0.008 . 1 . . . . 155 Gln C . 17447 1 1658 . 1 1 150 150 GLN CA C 13 58.859 0.008 . 1 . . . . 155 Gln CA . 17447 1 1659 . 1 1 150 150 GLN CB C 13 27.786 0.046 . 1 . . . . 155 Gln CB . 17447 1 1660 . 1 1 150 150 GLN CG C 13 33.738 0.060 . 1 . . . . 155 Gln CG . 17447 1 1661 . 1 1 150 150 GLN N N 15 116.545 0.008 . 1 . . . . 155 Gln N . 17447 1 1662 . 1 1 150 150 GLN NE2 N 15 112.205 0.005 . 1 . . . . 155 Gln NE2 . 17447 1 1663 . 1 1 151 151 LEU H H 1 7.486 0.001 . 1 . . . . 156 Leu H . 17447 1 1664 . 1 1 151 151 LEU HA H 1 4.083 0.003 . 1 . . . . 156 Leu HA . 17447 1 1665 . 1 1 151 151 LEU HB2 H 1 1.446 0.009 . 2 . . . . 156 Leu HB2 . 17447 1 1666 . 1 1 151 151 LEU HB3 H 1 1.825 0.005 . 2 . . . . 156 Leu HB3 . 17447 1 1667 . 1 1 151 151 LEU HG H 1 1.388 0.003 . 1 . . . . 156 Leu HG . 17447 1 1668 . 1 1 151 151 LEU HD11 H 1 0.903 0.004 . 2 . . . . 156 Leu HD11 . 17447 1 1669 . 1 1 151 151 LEU HD12 H 1 0.903 0.004 . 2 . . . . 156 Leu HD12 . 17447 1 1670 . 1 1 151 151 LEU HD13 H 1 0.903 0.004 . 2 . . . . 156 Leu HD13 . 17447 1 1671 . 1 1 151 151 LEU HD21 H 1 0.792 0.004 . 2 . . . . 156 Leu HD21 . 17447 1 1672 . 1 1 151 151 LEU HD22 H 1 0.792 0.004 . 2 . . . . 156 Leu HD22 . 17447 1 1673 . 1 1 151 151 LEU HD23 H 1 0.792 0.004 . 2 . . . . 156 Leu HD23 . 17447 1 1674 . 1 1 151 151 LEU C C 13 170.636 0.001 . 1 . . . . 156 Leu C . 17447 1 1675 . 1 1 151 151 LEU CA C 13 57.803 0.018 . 1 . . . . 156 Leu CA . 17447 1 1676 . 1 1 151 151 LEU CB C 13 41.438 0.052 . 1 . . . . 156 Leu CB . 17447 1 1677 . 1 1 151 151 LEU CG C 13 27.334 0.018 . 1 . . . . 156 Leu CG . 17447 1 1678 . 1 1 151 151 LEU CD1 C 13 23.991 0.048 . 2 . . . . 156 Leu CD1 . 17447 1 1679 . 1 1 151 151 LEU CD2 C 13 26.518 0.041 . 2 . . . . 156 Leu CD2 . 17447 1 1680 . 1 1 151 151 LEU N N 15 122.582 0.015 . 1 . . . . 156 Leu N . 17447 1 1681 . 1 1 152 152 CYS H H 1 7.960 0.002 . 1 . . . . 157 Cys H . 17447 1 1682 . 1 1 152 152 CYS HA H 1 3.751 0.005 . 1 . . . . 157 Cys HA . 17447 1 1683 . 1 1 152 152 CYS HB2 H 1 3.055 0.001 . 2 . . . . 157 Cys HB2 . 17447 1 1684 . 1 1 152 152 CYS HB3 H 1 2.141 0.006 . 2 . . . . 157 Cys HB3 . 17447 1 1685 . 1 1 152 152 CYS C C 13 172.551 0.008 . 1 . . . . 157 Cys C . 17447 1 1686 . 1 1 152 152 CYS CA C 13 64.499 0.029 . 1 . . . . 157 Cys CA . 17447 1 1687 . 1 1 152 152 CYS CB C 13 25.642 0.025 . 1 . . . . 157 Cys CB . 17447 1 1688 . 1 1 152 152 CYS N N 15 118.453 0.016 . 1 . . . . 157 Cys N . 17447 1 1689 . 1 1 153 153 GLU H H 1 7.981 0.002 . 1 . . . . 158 Glu H . 17447 1 1690 . 1 1 153 153 GLU HA H 1 3.936 0.001 . 1 . . . . 158 Glu HA . 17447 1 1691 . 1 1 153 153 GLU HB2 H 1 2.134 0.008 . 2 . . . . 158 Glu HB2 . 17447 1 1692 . 1 1 153 153 GLU HB3 H 1 1.947 0.002 . 2 . . . . 158 Glu HB3 . 17447 1 1693 . 1 1 153 153 GLU HG2 H 1 2.143 0.012 . 2 . . . . 158 Glu HG2 . 17447 1 1694 . 1 1 153 153 GLU HG3 H 1 2.376 0.004 . 2 . . . . 158 Glu HG3 . 17447 1 1695 . 1 1 153 153 GLU C C 13 169.347 0.004 . 1 . . . . 158 Glu C . 17447 1 1696 . 1 1 153 153 GLU CA C 13 59.913 0.025 . 1 . . . . 158 Glu CA . 17447 1 1697 . 1 1 153 153 GLU CB C 13 29.437 0.111 . 1 . . . . 158 Glu CB . 17447 1 1698 . 1 1 153 153 GLU CG C 13 37.049 0.053 . 1 . . . . 158 Glu CG . 17447 1 1699 . 1 1 153 153 GLU N N 15 121.306 0.014 . 1 . . . . 158 Glu N . 17447 1 1700 . 1 1 154 154 GLU H H 1 7.958 0.002 . 1 . . . . 159 Glu H . 17447 1 1701 . 1 1 154 154 GLU HA H 1 3.905 0.002 . 1 . . . . 159 Glu HA . 17447 1 1702 . 1 1 154 154 GLU HB2 H 1 2.100 0.002 . 2 . . . . 159 Glu HB2 . 17447 1 1703 . 1 1 154 154 GLU HB3 H 1 1.900 0.003 . 2 . . . . 159 Glu HB3 . 17447 1 1704 . 1 1 154 154 GLU HG2 H 1 1.995 0.003 . 2 . . . . 159 Glu HG2 . 17447 1 1705 . 1 1 154 154 GLU HG3 H 1 2.292 0.004 . 2 . . . . 159 Glu HG3 . 17447 1 1706 . 1 1 154 154 GLU C C 13 172.754 0.006 . 1 . . . . 159 Glu C . 17447 1 1707 . 1 1 154 154 GLU CA C 13 58.848 0.012 . 1 . . . . 159 Glu CA . 17447 1 1708 . 1 1 154 154 GLU CB C 13 29.202 0.047 . 1 . . . . 159 Glu CB . 17447 1 1709 . 1 1 154 154 GLU CG C 13 36.334 0.040 . 1 . . . . 159 Glu CG . 17447 1 1710 . 1 1 154 154 GLU N N 15 121.058 0.019 . 1 . . . . 159 Glu N . 17447 1 1711 . 1 1 155 155 HIS H H 1 7.399 0.002 . 1 . . . . 160 His H . 17447 1 1712 . 1 1 155 155 HIS HA H 1 4.395 0.001 . 1 . . . . 160 His HA . 17447 1 1713 . 1 1 155 155 HIS HB2 H 1 3.631 0.002 . 2 . . . . 160 His HB2 . 17447 1 1714 . 1 1 155 155 HIS HB3 H 1 2.614 0.004 . 2 . . . . 160 His HB3 . 17447 1 1715 . 1 1 155 155 HIS HD2 H 1 6.908 0.008 . 1 . . . . 160 His HD2 . 17447 1 1716 . 1 1 155 155 HIS C C 13 176.337 0.003 . 1 . . . . 160 His C . 17447 1 1717 . 1 1 155 155 HIS CA C 13 56.686 0.079 . 1 . . . . 160 His CA . 17447 1 1718 . 1 1 155 155 HIS CB C 13 28.853 0.028 . 1 . . . . 160 His CB . 17447 1 1719 . 1 1 155 155 HIS CD2 C 13 122.746 0.001 . 1 . . . . 160 His CD2 . 17447 1 1720 . 1 1 155 155 HIS N N 15 115.468 0.012 . 1 . . . . 160 His N . 17447 1 1721 . 1 1 156 156 GLY H H 1 7.758 0.002 . 1 . . . . 161 Gly H . 17447 1 1722 . 1 1 156 156 GLY HA2 H 1 4.076 0.001 . 2 . . . . 161 Gly HA2 . 17447 1 1723 . 1 1 156 156 GLY HA3 H 1 3.639 0.001 . 2 . . . . 161 Gly HA3 . 17447 1 1724 . 1 1 156 156 GLY C C 13 176.247 0.022 . 1 . . . . 161 Gly C . 17447 1 1725 . 1 1 156 156 GLY CA C 13 45.729 0.028 . 1 . . . . 161 Gly CA . 17447 1 1726 . 1 1 156 156 GLY N N 15 106.844 0.013 . 1 . . . . 161 Gly N . 17447 1 1727 . 1 1 157 157 ILE H H 1 7.863 0.003 . 1 . . . . 162 Ile H . 17447 1 1728 . 1 1 157 157 ILE HA H 1 3.883 0.002 . 1 . . . . 162 Ile HA . 17447 1 1729 . 1 1 157 157 ILE HB H 1 1.248 0.005 . 1 . . . . 162 Ile HB . 17447 1 1730 . 1 1 157 157 ILE HG12 H 1 1.363 0.001 . 2 . . . . 162 Ile HG12 . 17447 1 1731 . 1 1 157 157 ILE HG13 H 1 0.525 0.001 . 2 . . . . 162 Ile HG13 . 17447 1 1732 . 1 1 157 157 ILE HG21 H 1 0.563 0.002 . 1 . . . . 162 Ile HG21 . 17447 1 1733 . 1 1 157 157 ILE HG22 H 1 0.563 0.002 . 1 . . . . 162 Ile HG22 . 17447 1 1734 . 1 1 157 157 ILE HG23 H 1 0.563 0.002 . 1 . . . . 162 Ile HG23 . 17447 1 1735 . 1 1 157 157 ILE HD11 H 1 0.530 0.002 . 1 . . . . 162 Ile HD11 . 17447 1 1736 . 1 1 157 157 ILE HD12 H 1 0.530 0.002 . 1 . . . . 162 Ile HD12 . 17447 1 1737 . 1 1 157 157 ILE HD13 H 1 0.530 0.002 . 1 . . . . 162 Ile HD13 . 17447 1 1738 . 1 1 157 157 ILE C C 13 176.533 0.007 . 1 . . . . 162 Ile C . 17447 1 1739 . 1 1 157 157 ILE CA C 13 60.837 0.020 . 1 . . . . 162 Ile CA . 17447 1 1740 . 1 1 157 157 ILE CB C 13 38.042 0.053 . 1 . . . . 162 Ile CB . 17447 1 1741 . 1 1 157 157 ILE CG1 C 13 27.650 0.020 . 1 . . . . 162 Ile CG1 . 17447 1 1742 . 1 1 157 157 ILE CG2 C 13 17.483 0.004 . 1 . . . . 162 Ile CG2 . 17447 1 1743 . 1 1 157 157 ILE CD1 C 13 13.649 0.012 . 1 . . . . 162 Ile CD1 . 17447 1 1744 . 1 1 157 157 ILE N N 15 122.960 0.021 . 1 . . . . 162 Ile N . 17447 1 1745 . 1 1 158 158 LEU H H 1 7.986 0.001 . 1 . . . . 163 Leu H . 17447 1 1746 . 1 1 158 158 LEU HA H 1 4.203 0.002 . 1 . . . . 163 Leu HA . 17447 1 1747 . 1 1 158 158 LEU HB2 H 1 1.728 0.012 . 2 . . . . 163 Leu HB2 . 17447 1 1748 . 1 1 158 158 LEU HB3 H 1 1.491 0.004 . 2 . . . . 163 Leu HB3 . 17447 1 1749 . 1 1 158 158 LEU HG H 1 1.761 0.005 . 1 . . . . 163 Leu HG . 17447 1 1750 . 1 1 158 158 LEU HD11 H 1 0.879 0.001 . 2 . . . . 163 Leu HD11 . 17447 1 1751 . 1 1 158 158 LEU HD12 H 1 0.879 0.001 . 2 . . . . 163 Leu HD12 . 17447 1 1752 . 1 1 158 158 LEU HD13 H 1 0.879 0.001 . 2 . . . . 163 Leu HD13 . 17447 1 1753 . 1 1 158 158 LEU HD21 H 1 0.825 0.003 . 2 . . . . 163 Leu HD21 . 17447 1 1754 . 1 1 158 158 LEU HD22 H 1 0.825 0.003 . 2 . . . . 163 Leu HD22 . 17447 1 1755 . 1 1 158 158 LEU HD23 H 1 0.825 0.003 . 2 . . . . 163 Leu HD23 . 17447 1 1756 . 1 1 158 158 LEU C C 13 171.373 0.002 . 1 . . . . 163 Leu C . 17447 1 1757 . 1 1 158 158 LEU CA C 13 54.518 0.015 . 1 . . . . 163 Leu CA . 17447 1 1758 . 1 1 158 158 LEU CB C 13 42.434 0.067 . 1 . . . . 163 Leu CB . 17447 1 1759 . 1 1 158 158 LEU CG C 13 27.144 0.037 . 1 . . . . 163 Leu CG . 17447 1 1760 . 1 1 158 158 LEU CD1 C 13 25.272 0.047 . 2 . . . . 163 Leu CD1 . 17447 1 1761 . 1 1 158 158 LEU CD2 C 13 22.345 0.058 . 2 . . . . 163 Leu CD2 . 17447 1 1762 . 1 1 158 158 LEU N N 15 124.903 0.020 . 1 . . . . 163 Leu N . 17447 1 1763 . 1 1 159 159 ARG H H 1 8.636 0.001 . 1 . . . . 164 Arg H . 17447 1 1764 . 1 1 159 159 ARG HA H 1 3.813 0.004 . 1 . . . . 164 Arg HA . 17447 1 1765 . 1 1 159 159 ARG HB2 H 1 1.741 0.004 . 2 . . . . 164 Arg HB2 . 17447 1 1766 . 1 1 159 159 ARG HB3 H 1 1.518 0.002 . 2 . . . . 164 Arg HB3 . 17447 1 1767 . 1 1 159 159 ARG HG2 H 1 1.746 0.002 . 2 . . . . 164 Arg HG2 . 17447 1 1768 . 1 1 159 159 ARG HD2 H 1 3.149 0.002 . 2 . . . . 164 Arg HD2 . 17447 1 1769 . 1 1 159 159 ARG HD3 H 1 3.057 0.002 . 2 . . . . 164 Arg HD3 . 17447 1 1770 . 1 1 159 159 ARG C C 13 171.619 0.009 . 1 . . . . 164 Arg C . 17447 1 1771 . 1 1 159 159 ARG CA C 13 59.445 0.021 . 1 . . . . 164 Arg CA . 17447 1 1772 . 1 1 159 159 ARG CB C 13 29.103 0.015 . 1 . . . . 164 Arg CB . 17447 1 1773 . 1 1 159 159 ARG CG C 13 29.262 0.018 . 1 . . . . 164 Arg CG . 17447 1 1774 . 1 1 159 159 ARG CD C 13 43.115 0.005 . 1 . . . . 164 Arg CD . 17447 1 1775 . 1 1 159 159 ARG N N 15 119.745 0.022 . 1 . . . . 164 Arg N . 17447 1 1776 . 1 1 160 160 GLU H H 1 8.712 0.001 . 1 . . . . 165 Glu H . 17447 1 1777 . 1 1 160 160 GLU HA H 1 4.206 0.004 . 1 . . . . 165 Glu HA . 17447 1 1778 . 1 1 160 160 GLU HB2 H 1 2.000 0.004 . 2 . . . . 165 Glu HB2 . 17447 1 1779 . 1 1 160 160 GLU HB3 H 1 1.909 0.001 . 2 . . . . 165 Glu HB3 . 17447 1 1780 . 1 1 160 160 GLU HG2 H 1 2.166 0.001 . 2 . . . . 165 Glu HG2 . 17447 1 1781 . 1 1 160 160 GLU C C 13 174.232 0.012 . 1 . . . . 165 Glu C . 17447 1 1782 . 1 1 160 160 GLU CA C 13 58.160 0.018 . 1 . . . . 165 Glu CA . 17447 1 1783 . 1 1 160 160 GLU CB C 13 28.661 0.019 . 1 . . . . 165 Glu CB . 17447 1 1784 . 1 1 160 160 GLU CG C 13 36.017 0.001 . 1 . . . . 165 Glu CG . 17447 1 1785 . 1 1 160 160 GLU N N 15 116.551 0.006 . 1 . . . . 165 Glu N . 17447 1 1786 . 1 1 161 161 ASN H H 1 8.158 0.004 . 1 . . . . 166 Asn H . 17447 1 1787 . 1 1 161 161 ASN HA H 1 4.618 0.006 . 1 . . . . 166 Asn HA . 17447 1 1788 . 1 1 161 161 ASN HB2 H 1 2.739 0.002 . 2 . . . . 166 Asn HB2 . 17447 1 1789 . 1 1 161 161 ASN HB3 H 1 3.948 0.002 . 2 . . . . 166 Asn HB3 . 17447 1 1790 . 1 1 161 161 ASN HD21 H 1 7.202 0.006 . 2 . . . . 166 Asn HD21 . 17447 1 1791 . 1 1 161 161 ASN HD22 H 1 6.840 0.001 . 2 . . . . 166 Asn HD22 . 17447 1 1792 . 1 1 161 161 ASN C C 13 178.385 0.001 . 1 . . . . 166 Asn C . 17447 1 1793 . 1 1 161 161 ASN CA C 13 52.598 0.029 . 1 . . . . 166 Asn CA . 17447 1 1794 . 1 1 161 161 ASN CB C 13 38.069 0.017 . 1 . . . . 166 Asn CB . 17447 1 1795 . 1 1 161 161 ASN N N 15 109.120 0.023 . 1 . . . . 166 Asn N . 17447 1 1796 . 1 1 162 162 ILE H H 1 7.034 0.001 . 1 . . . . 167 Ile H . 17447 1 1797 . 1 1 162 162 ILE HA H 1 4.216 0.002 . 1 . . . . 167 Ile HA . 17447 1 1798 . 1 1 162 162 ILE HB H 1 1.932 0.003 . 1 . . . . 167 Ile HB . 17447 1 1799 . 1 1 162 162 ILE HG12 H 1 1.792 0.011 . 2 . . . . 167 Ile HG12 . 17447 1 1800 . 1 1 162 162 ILE HG21 H 1 0.846 0.003 . 1 . . . . 167 Ile HG21 . 17447 1 1801 . 1 1 162 162 ILE HG22 H 1 0.846 0.003 . 1 . . . . 167 Ile HG22 . 17447 1 1802 . 1 1 162 162 ILE HG23 H 1 0.846 0.003 . 1 . . . . 167 Ile HG23 . 17447 1 1803 . 1 1 162 162 ILE HD11 H 1 0.787 0.003 . 1 . . . . 167 Ile HD11 . 17447 1 1804 . 1 1 162 162 ILE HD12 H 1 0.787 0.003 . 1 . . . . 167 Ile HD12 . 17447 1 1805 . 1 1 162 162 ILE HD13 H 1 0.787 0.003 . 1 . . . . 167 Ile HD13 . 17447 1 1806 . 1 1 162 162 ILE C C 13 174.438 0.001 . 1 . . . . 167 Ile C . 17447 1 1807 . 1 1 162 162 ILE CA C 13 61.980 0.018 . 1 . . . . 167 Ile CA . 17447 1 1808 . 1 1 162 162 ILE CB C 13 38.413 0.065 . 1 . . . . 167 Ile CB . 17447 1 1809 . 1 1 162 162 ILE CG1 C 13 26.408 0.044 . 1 . . . . 167 Ile CG1 . 17447 1 1810 . 1 1 162 162 ILE CG2 C 13 18.189 0.024 . 1 . . . . 167 Ile CG2 . 17447 1 1811 . 1 1 162 162 ILE CD1 C 13 14.442 0.022 . 1 . . . . 167 Ile CD1 . 17447 1 1812 . 1 1 162 162 ILE N N 15 118.141 0.013 . 1 . . . . 167 Ile N . 17447 1 1813 . 1 1 163 163 ILE H H 1 9.366 0.008 . 1 . . . . 168 Ile H . 17447 1 1814 . 1 1 163 163 ILE HA H 1 4.224 0.006 . 1 . . . . 168 Ile HA . 17447 1 1815 . 1 1 163 163 ILE HB H 1 1.704 0.003 . 1 . . . . 168 Ile HB . 17447 1 1816 . 1 1 163 163 ILE HG12 H 1 0.871 0.008 . 2 . . . . 168 Ile HG12 . 17447 1 1817 . 1 1 163 163 ILE HG13 H 1 1.433 0.010 . 2 . . . . 168 Ile HG13 . 17447 1 1818 . 1 1 163 163 ILE HG21 H 1 0.750 0.004 . 1 . . . . 168 Ile HG21 . 17447 1 1819 . 1 1 163 163 ILE HG22 H 1 0.750 0.004 . 1 . . . . 168 Ile HG22 . 17447 1 1820 . 1 1 163 163 ILE HG23 H 1 0.750 0.004 . 1 . . . . 168 Ile HG23 . 17447 1 1821 . 1 1 163 163 ILE HD11 H 1 0.636 0.003 . 1 . . . . 168 Ile HD11 . 17447 1 1822 . 1 1 163 163 ILE HD12 H 1 0.636 0.003 . 1 . . . . 168 Ile HD12 . 17447 1 1823 . 1 1 163 163 ILE HD13 H 1 0.636 0.003 . 1 . . . . 168 Ile HD13 . 17447 1 1824 . 1 1 163 163 ILE C C 13 176.728 0.001 . 1 . . . . 168 Ile C . 17447 1 1825 . 1 1 163 163 ILE CA C 13 61.400 0.036 . 1 . . . . 168 Ile CA . 17447 1 1826 . 1 1 163 163 ILE CB C 13 40.192 0.074 . 1 . . . . 168 Ile CB . 17447 1 1827 . 1 1 163 163 ILE CG1 C 13 26.555 0.031 . 1 . . . . 168 Ile CG1 . 17447 1 1828 . 1 1 163 163 ILE CG2 C 13 17.215 0.017 . 1 . . . . 168 Ile CG2 . 17447 1 1829 . 1 1 163 163 ILE CD1 C 13 13.611 0.032 . 1 . . . . 168 Ile CD1 . 17447 1 1830 . 1 1 163 163 ILE N N 15 128.620 0.048 . 1 . . . . 168 Ile N . 17447 1 1831 . 1 1 164 164 ASP H H 1 8.682 0.002 . 1 . . . . 169 Asp H . 17447 1 1832 . 1 1 164 164 ASP HA H 1 4.756 0.007 . 1 . . . . 169 Asp HA . 17447 1 1833 . 1 1 164 164 ASP HB2 H 1 2.955 0.001 . 2 . . . . 169 Asp HB2 . 17447 1 1834 . 1 1 164 164 ASP HB3 H 1 2.400 0.001 . 2 . . . . 169 Asp HB3 . 17447 1 1835 . 1 1 164 164 ASP C C 13 173.625 0.006 . 1 . . . . 169 Asp C . 17447 1 1836 . 1 1 164 164 ASP CA C 13 54.508 0.053 . 1 . . . . 169 Asp CA . 17447 1 1837 . 1 1 164 164 ASP CB C 13 40.578 0.043 . 1 . . . . 169 Asp CB . 17447 1 1838 . 1 1 164 164 ASP N N 15 127.229 0.018 . 1 . . . . 169 Asp N . 17447 1 1839 . 1 1 165 165 LEU H H 1 8.924 0.002 . 1 . . . . 170 Leu H . 17447 1 1840 . 1 1 165 165 LEU HA H 1 4.577 0.004 . 1 . . . . 170 Leu HA . 17447 1 1841 . 1 1 165 165 LEU HB2 H 1 1.132 0.010 . 2 . . . . 170 Leu HB2 . 17447 1 1842 . 1 1 165 165 LEU HB3 H 1 1.907 0.005 . 2 . . . . 170 Leu HB3 . 17447 1 1843 . 1 1 165 165 LEU HG H 1 1.593 0.002 . 1 . . . . 170 Leu HG . 17447 1 1844 . 1 1 165 165 LEU HD11 H 1 0.630 0.004 . 2 . . . . 170 Leu HD11 . 17447 1 1845 . 1 1 165 165 LEU HD12 H 1 0.630 0.004 . 2 . . . . 170 Leu HD12 . 17447 1 1846 . 1 1 165 165 LEU HD13 H 1 0.630 0.004 . 2 . . . . 170 Leu HD13 . 17447 1 1847 . 1 1 165 165 LEU HD21 H 1 0.830 0.001 . 2 . . . . 170 Leu HD21 . 17447 1 1848 . 1 1 165 165 LEU HD22 H 1 0.830 0.001 . 2 . . . . 170 Leu HD22 . 17447 1 1849 . 1 1 165 165 LEU HD23 H 1 0.830 0.001 . 2 . . . . 170 Leu HD23 . 17447 1 1850 . 1 1 165 165 LEU C C 13 172.947 0.030 . 1 . . . . 170 Leu C . 17447 1 1851 . 1 1 165 165 LEU CA C 13 54.335 0.031 . 1 . . . . 170 Leu CA . 17447 1 1852 . 1 1 165 165 LEU CB C 13 42.713 0.066 . 1 . . . . 170 Leu CB . 17447 1 1853 . 1 1 165 165 LEU CG C 13 26.350 0.035 . 1 . . . . 170 Leu CG . 17447 1 1854 . 1 1 165 165 LEU CD1 C 13 26.517 0.060 . 2 . . . . 170 Leu CD1 . 17447 1 1855 . 1 1 165 165 LEU CD2 C 13 23.341 0.021 . 2 . . . . 170 Leu CD2 . 17447 1 1856 . 1 1 165 165 LEU N N 15 130.352 0.020 . 1 . . . . 170 Leu N . 17447 1 1857 . 1 1 166 166 SER H H 1 8.972 0.003 . 1 . . . . 171 Ser H . 17447 1 1858 . 1 1 166 166 SER HA H 1 4.117 0.005 . 1 . . . . 171 Ser HA . 17447 1 1859 . 1 1 166 166 SER HB2 H 1 3.953 0.012 . 2 . . . . 171 Ser HB2 . 17447 1 1860 . 1 1 166 166 SER C C 13 175.405 0.001 . 1 . . . . 171 Ser C . 17447 1 1861 . 1 1 166 166 SER CA C 13 61.890 0.004 . 1 . . . . 171 Ser CA . 17447 1 1862 . 1 1 166 166 SER CB C 13 63.306 0.034 . 1 . . . . 171 Ser CB . 17447 1 1863 . 1 1 166 166 SER N N 15 118.711 0.032 . 1 . . . . 171 Ser N . 17447 1 1864 . 1 1 167 167 ASN H H 1 8.393 0.004 . 1 . . . . 172 Asn H . 17447 1 1865 . 1 1 167 167 ASN HA H 1 4.840 0.003 . 1 . . . . 172 Asn HA . 17447 1 1866 . 1 1 167 167 ASN HB2 H 1 2.805 0.005 . 2 . . . . 172 Asn HB2 . 17447 1 1867 . 1 1 167 167 ASN HB3 H 1 2.684 0.004 . 2 . . . . 172 Asn HB3 . 17447 1 1868 . 1 1 167 167 ASN HD21 H 1 7.456 0.001 . 2 . . . . 172 Asn HD21 . 17447 1 1869 . 1 1 167 167 ASN HD22 H 1 6.753 0.001 . 1 . . . . 172 Asn HD22 . 17447 1 1870 . 1 1 167 167 ASN C C 13 175.184 0.008 . 1 . . . . 172 Asn C . 17447 1 1871 . 1 1 167 167 ASN CA C 13 53.004 0.031 . 1 . . . . 172 Asn CA . 17447 1 1872 . 1 1 167 167 ASN CB C 13 38.726 0.022 . 1 . . . . 172 Asn CB . 17447 1 1873 . 1 1 167 167 ASN N N 15 117.464 0.050 . 1 . . . . 172 Asn N . 17447 1 1874 . 1 1 167 167 ASN ND2 N 15 112.880 0.007 . 1 . . . . 172 Asn ND2 . 17447 1 1875 . 1 1 168 168 ALA H H 1 7.772 0.002 . 1 . . . . 173 Ala H . 17447 1 1876 . 1 1 168 168 ALA HA H 1 4.543 0.006 . 1 . . . . 173 Ala HA . 17447 1 1877 . 1 1 168 168 ALA HB1 H 1 1.395 0.001 . 1 . . . . 173 Ala HB1 . 17447 1 1878 . 1 1 168 168 ALA HB2 H 1 1.395 0.001 . 1 . . . . 173 Ala HB2 . 17447 1 1879 . 1 1 168 168 ALA HB3 H 1 1.395 0.001 . 1 . . . . 173 Ala HB3 . 17447 1 1880 . 1 1 168 168 ALA C C 13 173.565 0.002 . 1 . . . . 173 Ala C . 17447 1 1881 . 1 1 168 168 ALA CA C 13 51.539 0.023 . 1 . . . . 173 Ala CA . 17447 1 1882 . 1 1 168 168 ALA CB C 13 20.228 0.028 . 1 . . . . 173 Ala CB . 17447 1 1883 . 1 1 168 168 ALA N N 15 122.446 0.007 . 1 . . . . 173 Ala N . 17447 1 1884 . 1 1 169 169 ASN H H 1 8.042 0.004 . 1 . . . . 174 Asn H . 17447 1 1885 . 1 1 169 169 ASN HA H 1 4.229 0.004 . 1 . . . . 174 Asn HA . 17447 1 1886 . 1 1 169 169 ASN HB2 H 1 2.988 0.007 . 2 . . . . 174 Asn HB2 . 17447 1 1887 . 1 1 169 169 ASN CA C 13 53.024 0.001 . 1 . . . . 174 Asn CA . 17447 1 1888 . 1 1 169 169 ASN CB C 13 37.715 0.004 . 1 . . . . 174 Asn CB . 17447 1 1889 . 1 1 169 169 ASN N N 15 117.114 0.031 . 1 . . . . 174 Asn N . 17447 1 1890 . 1 1 171 171 CYS HA H 1 4.257 0.001 . 1 . . . . 176 Cys HA . 17447 1 1891 . 1 1 171 171 CYS HB2 H 1 2.779 0.009 . 2 . . . . 176 Cys HB2 . 17447 1 1892 . 1 1 171 171 CYS HB3 H 1 2.611 0.008 . 2 . . . . 176 Cys HB3 . 17447 1 1893 . 1 1 171 171 CYS C C 13 175.760 0.001 . 1 . . . . 176 Cys C . 17447 1 1894 . 1 1 171 171 CYS CA C 13 55.632 0.035 . 1 . . . . 176 Cys CA . 17447 1 1895 . 1 1 171 171 CYS CB C 13 41.083 0.026 . 1 . . . . 176 Cys CB . 17447 1 1896 . 1 1 172 172 LEU H H 1 7.927 0.004 . 1 . . . . 177 Leu H . 17447 1 1897 . 1 1 172 172 LEU HA H 1 4.093 0.005 . 1 . . . . 177 Leu HA . 17447 1 1898 . 1 1 172 172 LEU HB2 H 1 1.504 0.001 . 2 . . . . 177 Leu HB2 . 17447 1 1899 . 1 1 172 172 LEU HB3 H 1 1.567 0.005 . 2 . . . . 177 Leu HB3 . 17447 1 1900 . 1 1 172 172 LEU HG H 1 1.502 0.012 . 1 . . . . 177 Leu HG . 17447 1 1901 . 1 1 172 172 LEU HD11 H 1 0.826 0.004 . 2 . . . . 177 Leu HD11 . 17447 1 1902 . 1 1 172 172 LEU HD12 H 1 0.826 0.004 . 2 . . . . 177 Leu HD12 . 17447 1 1903 . 1 1 172 172 LEU HD13 H 1 0.826 0.004 . 2 . . . . 177 Leu HD13 . 17447 1 1904 . 1 1 172 172 LEU HD21 H 1 0.880 0.003 . 2 . . . . 177 Leu HD21 . 17447 1 1905 . 1 1 172 172 LEU HD22 H 1 0.880 0.003 . 2 . . . . 177 Leu HD22 . 17447 1 1906 . 1 1 172 172 LEU HD23 H 1 0.880 0.003 . 2 . . . . 177 Leu HD23 . 17447 1 1907 . 1 1 172 172 LEU C C 13 172.945 0.015 . 1 . . . . 177 Leu C . 17447 1 1908 . 1 1 172 172 LEU CA C 13 55.858 0.026 . 1 . . . . 177 Leu CA . 17447 1 1909 . 1 1 172 172 LEU CB C 13 42.051 0.015 . 1 . . . . 177 Leu CB . 17447 1 1910 . 1 1 172 172 LEU CG C 13 27.046 0.072 . 1 . . . . 177 Leu CG . 17447 1 1911 . 1 1 172 172 LEU CD1 C 13 23.606 0.039 . 2 . . . . 177 Leu CD1 . 17447 1 1912 . 1 1 172 172 LEU CD2 C 13 24.760 0.052 . 2 . . . . 177 Leu CD2 . 17447 1 1913 . 1 1 172 172 LEU N N 15 122.061 0.046 . 1 . . . . 177 Leu N . 17447 1 1914 . 1 1 173 173 GLN H H 1 8.358 0.003 . 1 . . . . 178 Gln H . 17447 1 1915 . 1 1 173 173 GLN HA H 1 4.210 0.003 . 1 . . . . 178 Gln HA . 17447 1 1916 . 1 1 173 173 GLN HB2 H 1 1.907 0.002 . 2 . . . . 178 Gln HB2 . 17447 1 1917 . 1 1 173 173 GLN HB3 H 1 2.007 0.002 . 2 . . . . 178 Gln HB3 . 17447 1 1918 . 1 1 173 173 GLN HG2 H 1 2.287 0.003 . 2 . . . . 178 Gln HG2 . 17447 1 1919 . 1 1 173 173 GLN HE21 H 1 7.480 0.001 . 2 . . . . 178 Gln HE21 . 17447 1 1920 . 1 1 173 173 GLN HE22 H 1 6.787 0.001 . 2 . . . . 178 Gln HE22 . 17447 1 1921 . 1 1 173 173 GLN C C 13 174.959 0.006 . 1 . . . . 178 Gln C . 17447 1 1922 . 1 1 173 173 GLN CA C 13 55.804 0.019 . 1 . . . . 178 Gln CA . 17447 1 1923 . 1 1 173 173 GLN CB C 13 28.985 0.021 . 1 . . . . 178 Gln CB . 17447 1 1924 . 1 1 173 173 GLN CG C 13 33.610 0.062 . 1 . . . . 178 Gln CG . 17447 1 1925 . 1 1 173 173 GLN N N 15 120.565 0.049 . 1 . . . . 178 Gln N . 17447 1 1926 . 1 1 173 173 GLN NE2 N 15 112.401 0.004 . 1 . . . . 178 Gln NE2 . 17447 1 1927 . 1 1 174 174 ALA H H 1 8.124 0.002 . 1 . . . . 179 Ala H . 17447 1 1928 . 1 1 174 174 ALA HA H 1 4.247 0.004 . 1 . . . . 179 Ala HA . 17447 1 1929 . 1 1 174 174 ALA HB1 H 1 1.250 0.001 . 1 . . . . 179 Ala HB1 . 17447 1 1930 . 1 1 174 174 ALA HB2 H 1 1.250 0.001 . 1 . . . . 179 Ala HB2 . 17447 1 1931 . 1 1 174 174 ALA HB3 H 1 1.250 0.001 . 1 . . . . 179 Ala HB3 . 17447 1 1932 . 1 1 174 174 ALA C C 13 173.092 0.008 . 1 . . . . 179 Ala C . 17447 1 1933 . 1 1 174 174 ALA CA C 13 52.247 0.019 . 1 . . . . 179 Ala CA . 17447 1 1934 . 1 1 174 174 ALA CB C 13 19.123 0.035 . 1 . . . . 179 Ala CB . 17447 1 1935 . 1 1 174 174 ALA N N 15 125.317 0.011 . 1 . . . . 179 Ala N . 17447 1 1936 . 1 1 175 175 ARG H H 1 8.065 0.003 . 1 . . . . 180 Arg H . 17447 1 1937 . 1 1 175 175 ARG HA H 1 4.283 0.004 . 1 . . . . 180 Arg HA . 17447 1 1938 . 1 1 175 175 ARG HB2 H 1 1.867 0.004 . 2 . . . . 180 Arg HB2 . 17447 1 1939 . 1 1 175 175 ARG HB3 H 1 1.689 0.008 . 2 . . . . 180 Arg HB3 . 17447 1 1940 . 1 1 175 175 ARG HG2 H 1 1.563 0.009 . 2 . . . . 180 Arg HG2 . 17447 1 1941 . 1 1 175 175 ARG HG3 H 1 1.876 0.002 . 2 . . . . 180 Arg HG3 . 17447 1 1942 . 1 1 175 175 ARG HD2 H 1 3.153 0.002 . 2 . . . . 180 Arg HD2 . 17447 1 1943 . 1 1 175 175 ARG C C 13 174.969 0.004 . 1 . . . . 180 Arg C . 17447 1 1944 . 1 1 175 175 ARG CA C 13 56.006 0.033 . 1 . . . . 180 Arg CA . 17447 1 1945 . 1 1 175 175 ARG CB C 13 31.095 0.046 . 1 . . . . 180 Arg CB . 17447 1 1946 . 1 1 175 175 ARG CG C 13 27.226 0.049 . 1 . . . . 180 Arg CG . 17447 1 1947 . 1 1 175 175 ARG CD C 13 43.430 0.001 . 1 . . . . 180 Arg CD . 17447 1 1948 . 1 1 175 175 ARG N N 15 120.686 0.014 . 1 . . . . 180 Arg N . 17447 1 1949 . 1 1 176 176 GLU H H 1 7.978 0.001 . 1 . . . . 181 Glu H . 17447 1 1950 . 1 1 176 176 GLU HA H 1 4.031 0.001 . 1 . . . . 181 Glu HA . 17447 1 1951 . 1 1 176 176 GLU HB2 H 1 1.959 0.002 . 2 . . . . 181 Glu HB2 . 17447 1 1952 . 1 1 176 176 GLU HB3 H 1 1.820 0.002 . 2 . . . . 181 Glu HB3 . 17447 1 1953 . 1 1 176 176 GLU HG2 H 1 2.131 0.001 . 2 . . . . 181 Glu HG2 . 17447 1 1954 . 1 1 176 176 GLU C C 13 169.359 0.001 . 1 . . . . 181 Glu C . 17447 1 1955 . 1 1 176 176 GLU CA C 13 58.040 0.021 . 1 . . . . 181 Glu CA . 17447 1 1956 . 1 1 176 176 GLU CB C 13 31.286 0.111 . 1 . . . . 181 Glu CB . 17447 1 1957 . 1 1 176 176 GLU CG C 13 36.677 0.048 . 1 . . . . 181 Glu CG . 17447 1 1958 . 1 1 176 176 GLU N N 15 126.968 0.008 . 1 . . . . 181 Glu N . 17447 1 stop_ save_