data_3433 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N assignments and secondary structure of the Src Sh3 domain ; _BMRB_accession_number 3433 _BMRB_flat_file_name bmr3433.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yu Hongtao . . 2 Rosen Michael K. . 3 Schreiber Stuart L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 352 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Yu, Hongtao, Rosen, Michael K., Schreiber, Stuart L., "1H and 15N assignments and secondary structure of the Src Sh3 domain," FEBS Lett. 324 (1), 87-92 (1993). ; _Citation_title '1H and 15N assignments and secondary structure of the Src Sh3 domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yu Hongtao . . 2 Rosen Michael K. . 3 Schreiber Stuart L. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 324 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 87 _Page_last 92 _Year 1993 _Details . save_ ################################## # Molecular system description # ################################## save_system_Src_tyrosine_kinase _Saveframe_category molecular_system _Mol_system_name 'Src tyrosine kinase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Src tyrosine kinase' $Src_tyrosine_kinase stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Src_tyrosine_kinase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Src tyrosine kinase' _Name_variant 'SH3 domain' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; XXHMGGVTTFVALYDYESRT ETDLSFKKGERLQIVNNTEG DWWLAHSLTTGQTGYIPSNY VAPS ; loop_ _Residue_seq_code _Residue_label 1 X 2 X 3 HIS 4 MET 5 GLY 6 GLY 7 VAL 8 THR 9 THR 10 PHE 11 VAL 12 ALA 13 LEU 14 TYR 15 ASP 16 TYR 17 GLU 18 SER 19 ARG 20 THR 21 GLU 22 THR 23 ASP 24 LEU 25 SER 26 PHE 27 LYS 28 LYS 29 GLY 30 GLU 31 ARG 32 LEU 33 GLN 34 ILE 35 VAL 36 ASN 37 ASN 38 THR 39 GLU 40 GLY 41 ASP 42 TRP 43 TRP 44 LEU 45 ALA 46 HIS 47 SER 48 LEU 49 THR 50 THR 51 GLY 52 GLN 53 THR 54 GLY 55 TYR 56 ILE 57 PRO 58 SER 59 ASN 60 TYR 61 VAL 62 ALA 63 PRO 64 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16750 c-src_SH3 90.63 80 100.00 100.00 4.67e-34 PDB 1FMK "Crystal Structure Of Human Tyrosine-Protein Kinase C-Src" 90.63 452 98.28 100.00 8.06e-31 PDB 1KSW "Structure Of Human C-Src Tyrosine Kinase (Thr338gly Mutant) In Complex With N6-Benzyl Adp" 90.63 452 98.28 100.00 7.91e-31 PDB 1NLO "Structure Of Signal Transduction Protein, Nmr, Minimized Average Structure" 96.88 64 100.00 100.00 2.08e-37 PDB 1NLP "Structure Of Signal Transduction Protein, Nmr, Minimized Average Structure" 96.88 64 100.00 100.00 2.08e-37 PDB 1PRL "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 93.75 64 100.00 100.00 1.98e-35 PDB 1PRM "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 93.75 64 100.00 100.00 1.98e-35 PDB 1QWE "C-Src Sh3 Domain Complexed With Ligand App12" 96.88 64 100.00 100.00 2.08e-37 PDB 1QWF "C-Src Sh3 Domain Complexed With Ligand Vsl12" 96.88 64 100.00 100.00 2.08e-37 PDB 1RLP "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 93.75 64 100.00 100.00 1.98e-35 PDB 1RLQ "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 93.75 64 100.00 100.00 1.98e-35 PDB 1SRL "1h And 15n Assignments And Secondary Structure Of The Src Sh3 Domain" 93.75 64 100.00 100.00 1.98e-35 PDB 1SRM "1h And 15n Assignments And Secondary Structure Of The Src Sh3 Domain" 93.75 64 100.00 100.00 1.98e-35 PDB 1Y57 "Structure Of Unphosphorylated C-Src In Complex With An Inhibitor" 90.63 452 98.28 100.00 8.39e-31 PDB 2H8H "Src Kinase In Complex With A Quinazoline Inhibitor" 93.75 535 98.33 100.00 2.36e-32 PDB 2PTK "Chicken Src Tyrosine Kinase" 93.75 453 100.00 100.00 1.07e-32 PDB 2SRC "Crystal Structure Of Human Tyrosine-protein Kinase C-src, In Complex With Amp-pnp" 90.63 452 98.28 100.00 8.06e-31 PDB 3FJ5 "Crystal Structure Of The C-Src-Sh3 Domain" 87.50 57 98.21 100.00 5.88e-32 PDB 4K11 "The Structure Of 1na In Complex With Src T338g" 89.06 448 98.25 100.00 3.42e-30 DBJ BAE26865 "unnamed protein product [Mus musculus]" 93.75 535 98.33 100.00 2.53e-32 DBJ BAI47379 "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [synthetic construct]" 93.75 536 98.33 100.00 2.35e-32 EMBL CAA23696 "pp60-c-src protein [Gallus gallus]" 93.75 533 100.00 100.00 1.06e-32 EMBL CAA33404 "unnamed protein product [Rous sarcoma virus]" 93.75 526 98.33 98.33 2.77e-31 EMBL CAA36156 "src protein [Avian sarcoma virus]" 93.75 587 100.00 100.00 2.49e-32 EMBL CAA37004 "v-3src-1 [Rous sarcoma virus]" 93.75 526 98.33 98.33 2.97e-31 GB AAA42565 "src-p60 phosphoprotein [Rous sarcoma virus]" 93.75 526 100.00 100.00 9.37e-33 GB AAA42570 "src-p68 phosphoprotein, partial [Rous sarcoma virus]" 93.75 285 98.33 98.33 2.58e-32 GB AAA42571 "src-p60 phoshoprotein [Rous sarcoma virus]" 93.75 204 98.33 98.33 1.04e-32 GB AAA42583 "p66-src protein [Rous sarcoma virus]" 93.75 587 100.00 100.00 2.49e-32 GB AAA49078 "pp60c-scr [Gallus gallus]" 93.75 193 100.00 100.00 8.25e-35 REF NP_001020566 "neuronal proto-oncogene tyrosine-protein kinase Src isoform 2 [Mus musculus]" 93.75 535 98.33 100.00 2.61e-32 REF NP_001104274 "proto-oncogene tyrosine-protein kinase Src [Bos taurus]" 93.75 542 98.33 100.00 3.39e-32 REF NP_001248263 "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Macaca mulatta]" 93.75 536 98.33 100.00 2.35e-32 REF NP_005408 "proto-oncogene tyrosine-protein kinase Src [Homo sapiens]" 93.75 536 98.33 100.00 2.35e-32 REF NP_056888 "p60 src [Rous sarcoma virus]" 93.75 526 98.33 98.33 3.19e-31 SP P00523 "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" 93.75 533 100.00 100.00 1.06e-32 SP P00524 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 93.75 526 100.00 100.00 9.37e-33 SP P00525 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 93.75 526 100.00 100.00 9.37e-33 SP P00526 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 93.75 526 98.33 98.33 3.19e-31 SP P12931 "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" 93.75 536 98.33 100.00 2.35e-32 TPG DAA23281 "TPA: v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Bos taurus]" 93.75 542 98.33 100.00 3.39e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Src_tyrosine_kinase . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Src_tyrosine_kinase 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . na temperature 278 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details 'The chemical shift reference is not available at this time.' 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'Src tyrosine kinase' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 HIS H H 8.07 . 1 2 . 3 HIS HA H 4.53 . 1 3 . 3 HIS HB2 H 2.87 . 2 4 . 3 HIS HB3 H 2.7 . 2 5 . 3 HIS HD2 H 8.25 . 1 6 . 3 HIS HE1 H 7.23 . 1 7 . 3 HIS N N 129.7 . 1 8 . 4 MET H H 8.56 . 1 9 . 4 MET HA H 4.08 . 1 10 . 4 MET HB2 H 2.2 . 2 11 . 4 MET HB3 H 2.07 . 2 12 . 4 MET HG2 H 2.65 . 2 13 . 4 MET HG3 H 2.58 . 2 14 . 5 GLY H H 8.38 . 1 15 . 5 GLY HA2 H 4.6 . 1 16 . 5 GLY HA3 H 4.6 . 1 17 . 5 GLY N N 111.7 . 1 18 . 6 GLY H H 8.38 . 1 19 . 6 GLY HA2 H 4.04 . 2 20 . 6 GLY HA3 H 4.11 . 2 21 . 6 GLY N N 110.3 . 1 22 . 7 VAL H H 8.1 . 1 23 . 7 VAL HA H 4.35 . 1 24 . 7 VAL HB H 2.15 . 1 25 . 7 VAL HG1 H 1 . 2 26 . 7 VAL HG2 H .93 . 2 27 . 7 VAL N N 120.8 . 1 28 . 8 THR H H 8.57 . 1 29 . 8 THR HA H 4.6 . 1 30 . 8 THR HB H 4.35 . 1 31 . 8 THR HG2 H 1.22 . 1 32 . 8 THR N N 120.8 . 1 33 . 9 THR H H 8.45 . 1 34 . 9 THR HA H 5.11 . 1 35 . 9 THR HB H 4.13 . 1 36 . 9 THR HG2 H 1.28 . 1 37 . 9 THR N N 121.1 . 1 38 . 10 PHE H H 9.49 . 1 39 . 10 PHE HA H 5.1 . 1 40 . 10 PHE HB2 H 2.85 . 1 41 . 10 PHE HB3 H 2.96 . 1 42 . 10 PHE HD1 H 7.11 . 1 43 . 10 PHE HD2 H 7.11 . 1 44 . 10 PHE HE1 H 7.48 . 1 45 . 10 PHE HE2 H 7.48 . 1 46 . 10 PHE HZ H 7.41 . 1 47 . 10 PHE N N 128.2 . 1 48 . 11 VAL H H 9.64 . 1 49 . 11 VAL HA H 5.19 . 1 50 . 11 VAL HB H 1.91 . 1 51 . 11 VAL HG1 H .95 . 2 52 . 11 VAL HG2 H .93 . 2 53 . 11 VAL N N 120.7 . 1 54 . 12 ALA H H 8.66 . 1 55 . 12 ALA HA H 4.73 . 1 56 . 12 ALA HB H 1.83 . 1 57 . 12 ALA N N 128.4 . 1 58 . 13 LEU H H 9.58 . 1 59 . 13 LEU HA H 4.09 . 1 60 . 13 LEU HB2 H 1.06 . 1 61 . 13 LEU HB3 H .69 . 1 62 . 13 LEU HG H 1.49 . 1 63 . 13 LEU HD1 H .78 . 1 64 . 13 LEU HD2 H .78 . 1 65 . 13 LEU N N 127.6 . 1 66 . 14 TYR H H 7.28 . 1 67 . 14 TYR HA H 5 . 1 68 . 14 TYR HB2 H 2.58 . 1 69 . 14 TYR HB3 H 3.43 . 1 70 . 14 TYR HD1 H 6.74 . 1 71 . 14 TYR HD2 H 6.74 . 1 72 . 14 TYR HE1 H 7.28 . 1 73 . 14 TYR HE2 H 7.28 . 1 74 . 14 TYR N N 113.7 . 1 75 . 15 ASP H H 8.4 . 1 76 . 15 ASP HA H 4.89 . 1 77 . 15 ASP HB2 H 2.9 . 2 78 . 15 ASP HB3 H 2.76 . 2 79 . 15 ASP N N 119.3 . 1 80 . 16 TYR H H 8.75 . 1 81 . 16 TYR HA H 4.63 . 1 82 . 16 TYR HB2 H 2.42 . 1 83 . 16 TYR HB3 H 2.42 . 1 84 . 16 TYR HD1 H 7.14 . 1 85 . 16 TYR HD2 H 7.14 . 1 86 . 16 TYR HE1 H 6.76 . 1 87 . 16 TYR HE2 H 6.76 . 1 88 . 16 TYR N N 122.9 . 1 89 . 17 GLU H H 7.56 . 1 90 . 17 GLU HA H 4.4 . 1 91 . 17 GLU HB2 H 1.83 . 2 92 . 17 GLU HB3 H 1.75 . 2 93 . 17 GLU HG2 H 2.2 . 1 94 . 17 GLU HG3 H 2.2 . 1 95 . 17 GLU N N 129.6 . 1 96 . 18 SER H H 8.27 . 1 97 . 18 SER HA H 4.21 . 1 98 . 18 SER HB2 H 3.96 . 2 99 . 18 SER HB3 H 3.76 . 2 100 . 18 SER N N 119.7 . 1 101 . 19 ARG H H 9.81 . 1 102 . 19 ARG HA H 4.6 . 1 103 . 19 ARG HB2 H 1.88 . 1 104 . 19 ARG HB3 H 2.06 . 1 105 . 19 ARG HG2 H 1.85 . 2 106 . 19 ARG HG3 H 1.78 . 2 107 . 19 ARG NE N 85.8 . 1 108 . 19 ARG HD2 H 3.31 . 1 109 . 19 ARG HD3 H 3.31 . 1 110 . 19 ARG HE H 7.32 . 1 111 . 19 ARG N N 126.4 . 1 112 . 20 THR H H 8.54 . 1 113 . 20 THR HA H 4.86 . 1 114 . 20 THR HB H 4.4 . 1 115 . 20 THR HG2 H 1.19 . 1 116 . 20 THR N N 115.4 . 1 117 . 21 GLU H H 8.99 . 1 118 . 21 GLU HA H 4.46 . 1 119 . 21 GLU HB2 H 2.3 . 2 120 . 21 GLU HB3 H 2.25 . 2 121 . 21 GLU HG2 H 2.51 . 1 122 . 21 GLU HG3 H 2.51 . 1 123 . 21 GLU N N 121.6 . 1 124 . 22 THR H H 7.88 . 1 125 . 22 THR HA H 4.73 . 1 126 . 22 THR HB H 4.73 . 1 127 . 22 THR HG2 H 1.35 . 1 128 . 22 THR N N 107.6 . 1 129 . 23 ASP H H 8.03 . 1 130 . 23 ASP HA H 5.58 . 1 131 . 23 ASP HB2 H 3.29 . 2 132 . 23 ASP HB3 H 3.09 . 2 133 . 23 ASP N N 124.8 . 1 134 . 24 LEU H H 8.77 . 1 135 . 24 LEU HA H 4.72 . 1 136 . 24 LEU HB2 H 1.92 . 1 137 . 24 LEU HB3 H 1.07 . 1 138 . 24 LEU HG H 1.76 . 1 139 . 24 LEU HD1 H .95 . 2 140 . 24 LEU HD2 H .78 . 2 141 . 24 LEU N N 125.7 . 1 142 . 25 SER H H 8.11 . 1 143 . 25 SER HA H 5 . 1 144 . 25 SER HB2 H 4.01 . 1 145 . 25 SER HB3 H 4.17 . 1 146 . 25 SER N N 118.9 . 1 147 . 26 PHE H H 8.75 . 1 148 . 26 PHE HA H 5.23 . 1 149 . 26 PHE HB2 H 3.03 . 1 150 . 26 PHE HB3 H 3.26 . 1 151 . 26 PHE HD1 H 7.15 . 1 152 . 26 PHE HD2 H 7.15 . 1 153 . 26 PHE HE1 H 7.53 . 1 154 . 26 PHE HE2 H 7.53 . 1 155 . 26 PHE HZ H 6.94 . 1 156 . 26 PHE N N 118.8 . 1 157 . 27 LYS H H 8.81 . 1 158 . 27 LYS HA H 5.18 . 1 159 . 27 LYS HB2 H 2.08 . 2 160 . 27 LYS HB3 H 1.95 . 2 161 . 27 LYS HG2 H 1.63 . 1 162 . 27 LYS HG3 H 1.63 . 1 163 . 27 LYS N N 121.5 . 1 164 . 28 LYS H H 9.33 . 1 165 . 28 LYS HA H 3.57 . 1 166 . 28 LYS HB2 H 1.68 . 1 167 . 28 LYS HB3 H 1.8 . 1 168 . 28 LYS HG2 H 1.3 . 1 169 . 28 LYS HG3 H 1.3 . 1 170 . 28 LYS HE2 H 3.13 . 1 171 . 28 LYS HE3 H 3.13 . 1 172 . 28 LYS N N 122.7 . 1 173 . 29 GLY H H 9.1 . 1 174 . 29 GLY HA2 H 3.62 . 2 175 . 29 GLY HA3 H 4.55 . 2 176 . 29 GLY N N 116.3 . 1 177 . 30 GLU H H 8.48 . 1 178 . 30 GLU HA H 4.27 . 1 179 . 30 GLU HB2 H 2.58 . 2 180 . 30 GLU HB3 H 2.25 . 2 181 . 30 GLU HG2 H 2.77 . 2 182 . 30 GLU HG3 H 2.43 . 2 183 . 30 GLU N N 125 . 1 184 . 31 ARG H H 8.2 . 1 185 . 31 ARG HA H 5.19 . 1 186 . 31 ARG HB2 H 1.97 . 1 187 . 31 ARG HB3 H 1.78 . 1 188 . 31 ARG HG2 H 1.9 . 2 189 . 31 ARG HG3 H 1.67 . 2 190 . 31 ARG NE N 86.5 . 1 191 . 31 ARG HD2 H 3.3 . 1 192 . 31 ARG HD3 H 3.3 . 1 193 . 31 ARG HE H 7.31 . 1 194 . 31 ARG N N 123.4 . 1 195 . 32 LEU H H 9.32 . 1 196 . 32 LEU HA H 5.17 . 1 197 . 32 LEU HB2 H 1.43 . 1 198 . 32 LEU HB3 H 1.21 . 1 199 . 32 LEU HG H 1.51 . 1 200 . 32 LEU HD1 H .69 . 2 201 . 32 LEU HD2 H .28 . 2 202 . 32 LEU N N 125.3 . 1 203 . 33 GLN H H 9.25 . 1 204 . 33 GLN HA H 5.13 . 1 205 . 33 GLN HB2 H 2.21 . 2 206 . 33 GLN HB3 H 2.17 . 2 207 . 33 GLN HG2 H 2.49 . 2 208 . 33 GLN HG3 H 2.39 . 2 209 . 33 GLN NE2 N 113 . 1 210 . 33 GLN HE21 H 7.58 . 2 211 . 33 GLN HE22 H 6.96 . 2 212 . 33 GLN N N 123.2 . 1 213 . 34 ILE H H 9.2 . 1 214 . 34 ILE HA H 4.4 . 1 215 . 34 ILE HB H 2.01 . 1 216 . 34 ILE HG12 H 1.55 . 2 217 . 34 ILE HG13 H .92 . 2 218 . 34 ILE HG2 H .54 . 1 219 . 34 ILE HD1 H .59 . 1 220 . 34 ILE N N 127.6 . 1 221 . 35 VAL H H 8.85 . 1 222 . 35 VAL HA H 4.08 . 1 223 . 35 VAL HB H 1.79 . 1 224 . 35 VAL HG1 H .96 . 1 225 . 35 VAL HG2 H .87 . 1 226 . 35 VAL N N 128.8 . 1 227 . 36 ASN H H 7.86 . 1 228 . 36 ASN HA H 4.92 . 1 229 . 36 ASN HB2 H 2.98 . 2 230 . 36 ASN HB3 H 2.91 . 2 231 . 36 ASN ND2 N 114.9 . 1 232 . 36 ASN HD21 H 7.84 . 2 233 . 36 ASN HD22 H 7.18 . 2 234 . 36 ASN N N 117.8 . 1 235 . 37 ASN H H 8.48 . 1 236 . 37 ASN HA H 4.6 . 1 237 . 37 ASN HB2 H 2.05 . 2 238 . 37 ASN HB3 H 1.72 . 2 239 . 37 ASN ND2 N 111.4 . 1 240 . 37 ASN HD21 H 6.74 . 2 241 . 37 ASN HD22 H 6.52 . 2 242 . 37 ASN N N 119.7 . 1 243 . 38 THR H H 8.03 . 1 244 . 38 THR HA H 4.04 . 1 245 . 38 THR HB H 4.32 . 1 246 . 38 THR HG2 H 1.14 . 1 247 . 38 THR N N 113 . 1 248 . 39 GLU H H 8.62 . 1 249 . 39 GLU HA H 4.7 . 1 250 . 39 GLU HB2 H 2.31 . 1 251 . 39 GLU HB3 H 2.42 . 1 252 . 39 GLU HG2 H 2.49 . 2 253 . 39 GLU HG3 H 2.24 . 2 254 . 39 GLU N N 123.2 . 1 255 . 40 GLY H H 8.5 . 1 256 . 40 GLY HA2 H 4.13 . 2 257 . 40 GLY HA3 H 4.42 . 2 258 . 40 GLY N N 110.1 . 1 259 . 41 ASP H H 8.69 . 1 260 . 41 ASP HA H 4.51 . 1 261 . 41 ASP HB2 H 2.64 . 2 262 . 41 ASP HB3 H 2.59 . 2 263 . 41 ASP N N 120.2 . 1 264 . 42 TRP H H 7.9 . 1 265 . 42 TRP HA H 5.32 . 1 266 . 42 TRP HB2 H 3.07 . 1 267 . 42 TRP HB3 H 3.07 . 1 268 . 42 TRP NE1 N 130.5 . 1 269 . 42 TRP HD1 H 7.25 . 1 270 . 42 TRP HE1 H 10.08 . 1 271 . 42 TRP HE3 H 7.31 . 1 272 . 42 TRP HZ2 H 7.52 . 1 273 . 42 TRP HZ3 H 6.92 . 1 274 . 42 TRP HH2 H 7.41 . 1 275 . 42 TRP N N 122.4 . 1 276 . 43 TRP H H 9.28 . 1 277 . 43 TRP HA H 5.6 . 1 278 . 43 TRP HB2 H 2.99 . 1 279 . 43 TRP HB3 H 3.1 . 1 280 . 43 TRP NE1 N 130.6 . 1 281 . 43 TRP HD1 H 7.25 . 1 282 . 43 TRP HE1 H 9.76 . 1 283 . 43 TRP HE3 H 6.9 . 1 284 . 43 TRP HZ2 H 7.62 . 1 285 . 43 TRP HZ3 H 5.99 . 1 286 . 43 TRP HH2 H 7.18 . 1 287 . 43 TRP N N 125.9 . 1 288 . 44 LEU H H 8.99 . 1 289 . 44 LEU HA H 4.15 . 1 290 . 44 LEU HB2 H 1.23 . 2 291 . 44 LEU HB3 H 1.03 . 2 292 . 44 LEU HG H 1.14 . 1 293 . 44 LEU HD1 H .76 . 2 294 . 44 LEU HD2 H .27 . 2 295 . 44 LEU N N 126.8 . 1 296 . 45 ALA H H 9.25 . 1 297 . 45 ALA HA H 5.48 . 1 298 . 45 ALA HB H 1.37 . 1 299 . 45 ALA N N 132.7 . 1 300 . 46 HIS H H 9.29 . 1 301 . 46 HIS HA H 5.6 . 1 302 . 46 HIS HB2 H 3.17 . 1 303 . 46 HIS HB3 H 2.96 . 1 304 . 46 HIS HD2 H 8.31 . 1 305 . 46 HIS HE1 H 6.95 . 1 306 . 46 HIS N N 119.1 . 1 307 . 47 SER H H 8.99 . 1 308 . 47 SER HA H 4.82 . 1 309 . 47 SER HB2 H 4.15 . 1 310 . 47 SER HB3 H 4.07 . 1 311 . 47 SER N N 121.8 . 1 312 . 48 LEU H H 8.99 . 1 313 . 48 LEU HA H 4.39 . 1 314 . 48 LEU HB2 H 1.88 . 1 315 . 48 LEU HB3 H 1.88 . 1 316 . 48 LEU HG H 1.8 . 1 317 . 48 LEU HD1 H 1.03 . 2 318 . 48 LEU HD2 H .79 . 2 319 . 48 LEU N N 131.3 . 1 320 . 49 THR H H 8.51 . 1 321 . 49 THR HA H 4.41 . 1 322 . 49 THR HB H 4.1 . 1 323 . 49 THR HG2 H 1.44 . 1 324 . 49 THR N N 117.2 . 1 325 . 50 THR H H 8.42 . 1 326 . 50 THR HA H 4.6 . 1 327 . 50 THR HB H 4.6 . 1 328 . 50 THR HG2 H 1.43 . 1 329 . 50 THR N N 110.3 . 1 330 . 51 GLY H H 7.91 . 1 331 . 51 GLY HA2 H 3.93 . 2 332 . 51 GLY HA3 H 4.37 . 2 333 . 51 GLY N N 112.4 . 1 334 . 52 GLN H H 7.61 . 1 335 . 52 GLN HA H 4.63 . 1 336 . 52 GLN HB2 H 2.03 . 1 337 . 52 GLN HB3 H 2.3 . 1 338 . 52 GLN HG2 H 2.53 . 1 339 . 52 GLN HG3 H 2.53 . 1 340 . 52 GLN NE2 N 113.5 . 1 341 . 52 GLN HE21 H 7.59 . 2 342 . 52 GLN HE22 H 7.06 . 2 343 . 52 GLN N N 120.7 . 1 344 . 53 THR H H 8.72 . 1 345 . 53 THR HA H 5.8 . 1 346 . 53 THR HB H 4.09 . 1 347 . 53 THR HG2 H 1.24 . 1 348 . 53 THR N N 118.8 . 1 349 . 54 GLY H H 9.23 . 1 350 . 54 GLY HA2 H 4.13 . 1 351 . 54 GLY HA3 H 4.13 . 1 352 . 54 GLY N N 114.2 . 1 353 . 55 TYR H H 9.11 . 1 354 . 55 TYR HA H 5.46 . 1 355 . 55 TYR HB2 H 3.11 . 1 356 . 55 TYR HB3 H 3.15 . 1 357 . 55 TYR HD1 H 7.17 . 1 358 . 55 TYR HD2 H 7.17 . 1 359 . 55 TYR HE1 H 6.99 . 1 360 . 55 TYR HE2 H 6.99 . 1 361 . 55 TYR N N 121.4 . 1 362 . 56 ILE H H 9.6 . 1 363 . 56 ILE HA H 5.23 . 1 364 . 56 ILE HB H 1.67 . 1 365 . 56 ILE HG12 H 1.44 . 2 366 . 56 ILE HG13 H 1.11 . 2 367 . 56 ILE HG2 H 1.13 . 1 368 . 56 ILE HD1 H .48 . 1 369 . 56 ILE N N 114.3 . 1 370 . 57 PRO HA H 3.75 . 1 371 . 57 PRO HB2 H 1.53 . 2 372 . 57 PRO HB3 H 1.16 . 2 373 . 57 PRO HG2 H .89 . 2 374 . 57 PRO HG3 H .74 . 2 375 . 57 PRO HD2 H 2.96 . 2 376 . 57 PRO HD3 H 2.9 . 2 377 . 58 SER H H 7.8 . 1 378 . 58 SER HA H 2.66 . 1 379 . 58 SER HB2 H 2.11 . 1 380 . 58 SER HB3 H 1.76 . 1 381 . 58 SER N N 121.1 . 1 382 . 59 ASN H H 8.13 . 1 383 . 59 ASN HA H 4.76 . 1 384 . 59 ASN HB2 H 3.08 . 2 385 . 59 ASN HB3 H 2.81 . 2 386 . 59 ASN ND2 N 113.3 . 1 387 . 59 ASN HD21 H 7.59 . 2 388 . 59 ASN HD22 H 6.79 . 2 389 . 59 ASN N N 116.7 . 1 390 . 60 TYR H H 8.04 . 1 391 . 60 TYR HA H 4.85 . 1 392 . 60 TYR HB2 H 3.74 . 2 393 . 60 TYR HB3 H 3.49 . 2 394 . 60 TYR HD1 H 7.26 . 1 395 . 60 TYR HD2 H 7.26 . 1 396 . 60 TYR HE1 H 7.08 . 1 397 . 60 TYR HE2 H 7.08 . 1 398 . 60 TYR N N 122.7 . 1 399 . 61 VAL H H 7.28 . 1 400 . 61 VAL HA H 5.53 . 1 401 . 61 VAL HB H 2.24 . 1 402 . 61 VAL HG1 H .73 . 1 403 . 61 VAL HG2 H .56 . 1 404 . 61 VAL N N 110.4 . 1 405 . 62 ALA H H 8.92 . 1 406 . 62 ALA HA H 5.21 . 1 407 . 62 ALA HB H 1.53 . 1 408 . 62 ALA N N 124.2 . 1 409 . 63 PRO HA H 3.69 . 1 410 . 63 PRO HB2 H 2.03 . 2 411 . 63 PRO HB3 H 1.91 . 2 412 . 63 PRO HG2 H 2.18 . 2 413 . 63 PRO HG3 H 1.3 . 2 414 . 63 PRO HD2 H 3.8 . 1 415 . 63 PRO HD3 H 3.8 . 1 416 . 64 SER H H 7.93 . 1 417 . 64 SER HA H 4.23 . 1 418 . 64 SER HB2 H 3.83 . 2 419 . 64 SER HB3 H 3.65 . 2 420 . 64 SER N N 123.4 . 1 stop_ save_