data_6097 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Proton chemical shift assignments for human spliceosomal protein U1C zinc finger domain ; _BMRB_accession_number 6097 _BMRB_flat_file_name bmr6097.str _Entry_type original _Submission_date 2004-02-10 _Accession_date 2004-02-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Muto Yutaka . . 2 'Pomeranz Krummel' Daniel . . 3 Oubridge Chris . . 4 Hernandez Helena . . 5 Robinson Carol V. . 6 Neuhaus David . . 7 Nagai Kiyoshi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 341 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-28 original author . stop_ _Original_release_date 2004-09-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure and biochemical properties of the human spliceosomal protein U1C' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15312772 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Muto Yutaka . . 2 'Pomeranz Krummel' Daniel . . 3 Oubridge Chris . . 4 Hernandez Helena . . 5 Robinson Carol V. . 6 Neuhaus David . . 7 Nagai Kiyoshi . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 341 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 185 _Page_last 198 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_U1C_zinc_finger_domain _Saveframe_category molecular_system _Mol_system_name 'U1C zinc finger domain' _Abbreviation_common 'U1C zinc finger domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'U1C zinc finger domain' $U1C_protein 'ZINC (II) ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_U1C_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'U1C protein' _Abbreviation_common 'U1C protein' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; MPKFYCDYCDTYLTHDSPSV RKTHCSGRKHKENVKDYYQK WMEEQAQSLIDKTTAAFQQG K ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 LYS 4 PHE 5 TYR 6 CYS 7 ASP 8 TYR 9 CYS 10 ASP 11 THR 12 TYR 13 LEU 14 THR 15 HIS 16 ASP 17 SER 18 PRO 19 SER 20 VAL 21 ARG 22 LYS 23 THR 24 HIS 25 CYS 26 SER 27 GLY 28 ARG 29 LYS 30 HIS 31 LYS 32 GLU 33 ASN 34 VAL 35 LYS 36 ASP 37 TYR 38 TYR 39 GLN 40 LYS 41 TRP 42 MET 43 GLU 44 GLU 45 GLN 46 ALA 47 GLN 48 SER 49 LEU 50 ILE 51 ASP 52 LYS 53 THR 54 THR 55 ALA 56 ALA 57 PHE 58 GLN 59 GLN 60 GLY 61 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2VRD "The Structure Of The Zinc Finger From The Human Spliceosomal Protein U1c" 100.00 61 100.00 100.00 1.33e-37 PDB 3CW1 "Crystal Structure Of Human Spliceosomal U1 Snrnp" 100.00 77 98.36 98.36 1.95e-36 PDB 4PJO "Minimal U1 Snrnp" 100.00 61 100.00 100.00 1.33e-37 DBJ BAE02052 "unnamed protein product [Macaca fascicularis]" 100.00 198 100.00 100.00 2.70e-38 DBJ BAE23273 "unnamed protein product [Mus musculus]" 100.00 159 100.00 100.00 2.29e-40 DBJ BAE40776 "unnamed protein product [Mus musculus]" 100.00 159 100.00 100.00 2.29e-40 DBJ BAG34895 "unnamed protein product [Homo sapiens]" 100.00 159 100.00 100.00 2.52e-40 DBJ BAI46833 "small nuclear ribonucleoprotein polypeptide C [synthetic construct]" 96.72 180 98.31 100.00 8.74e-38 EMBL CAA31037 "unnamed protein product [Homo sapiens]" 100.00 159 100.00 100.00 2.52e-40 EMBL CAA45354 "snRNP C [Xenopus laevis]" 100.00 159 100.00 100.00 3.72e-40 EMBL CAA65542 "U1 snRNP-specific protein C [Mus musculus]" 100.00 159 100.00 100.00 2.29e-40 EMBL CAG11833 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 147 100.00 100.00 9.83e-40 EMBL CBN80717 "U1 small nuclear ribonucleoprotein C [Dicentrarchus labrax]" 100.00 246 100.00 100.00 9.59e-37 GB AAA36618 "ribonucleoprotein, partial [Homo sapiens]" 59.02 106 97.22 97.22 1.71e-14 GB AAB08894 "U1 snRNP-specific protein C [Mus musculus]" 100.00 159 100.00 100.00 2.29e-40 GB AAH08243 "U1 small nuclear ribonucleoprotein C [Mus musculus]" 100.00 159 100.00 100.00 2.29e-40 GB AAH84206 "Snrp1c protein [Xenopus laevis]" 100.00 159 100.00 100.00 3.72e-40 GB AAH91442 "Small nuclear ribonucleoprotein polypeptide C [Danio rerio]" 100.00 159 100.00 100.00 4.98e-40 PIR I56013 "ribonucleoprotein - human (fragment)" 59.02 106 97.22 97.22 1.71e-14 REF NP_001016598 "U1 small nuclear ribonucleoprotein C [Xenopus (Silurana) tropicalis]" 100.00 159 100.00 100.00 3.37e-40 REF NP_001069802 "U1 small nuclear ribonucleoprotein C [Bos taurus]" 100.00 159 98.36 98.36 1.32e-39 REF NP_001084130 "U1 small nuclear ribonucleoprotein C [Xenopus laevis]" 100.00 159 100.00 100.00 3.72e-40 REF NP_001158541 "U1 small nuclear ribonucleoprotein C [Oncorhynchus mykiss]" 100.00 157 100.00 100.00 1.23e-39 REF NP_001177132 "small nuclear ribonucleoprotein polypeptide C [Sus scrofa]" 100.00 159 100.00 100.00 2.52e-40 SP B0JYS7 "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Xenopus (Silurana) tropicalis]" 100.00 159 100.00 100.00 3.37e-40 SP D3ZCL3 "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Rattus norvegicus]" 100.00 159 100.00 100.00 2.29e-40 SP E1C6F0 "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Gallus gallus]" 100.00 159 100.00 100.00 2.81e-40 SP E2RGI3 "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Canis lupus familiaris]" 100.00 159 100.00 100.00 2.52e-40 SP F6TFD9 "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Macaca mulatta]" 100.00 159 100.00 100.00 2.52e-40 TPG DAA16701 "TPA: U1 small nuclear ribonucleoprotein C [Bos taurus]" 100.00 159 100.00 100.00 2.52e-40 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 12:12:44 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $U1C_protein Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $U1C_protein 'recombinant technology' 'E. coli' Escherichia coli B834(DE3) plasmid pET3b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $U1C_protein . mM 0.8 1.0 . 'potassium phosphate' 20 mM . . . 'magnesium sulphate' 100 mM . . . 'sodium bromide' 400 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Saveframe_category software _Name xwin-nmr _Version 3.0 loop_ _Task 'data processing' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Task analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'U1C zinc finger domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 PRO HA H 4.54 0.01 1 2 . 2 PRO HB2 H 2.59 0.01 2 3 . 2 PRO HB3 H 2.15 0.01 2 4 . 2 PRO HG2 H 2.17 0.01 2 5 . 2 PRO HG3 H 2.15 0.01 2 6 . 2 PRO HD2 H 3.49 0.01 2 7 . 2 PRO HD3 H 3.59 0.01 2 8 . 3 LYS H H 8.64 0.01 1 9 . 3 LYS HA H 4.62 0.01 1 10 . 3 LYS HB2 H 1.90 0.01 2 11 . 3 LYS HB3 H 1.81 0.01 2 12 . 3 LYS HD2 H 1.53 0.01 2 13 . 3 LYS HG2 H 1.45 0.01 2 14 . 3 LYS HE2 H 2.83 0.01 2 15 . 4 PHE H H 8.56 0.01 1 16 . 4 PHE HA H 4.81 0.01 1 17 . 4 PHE HB2 H 2.75 0.01 1 18 . 4 PHE HB3 H 3.11 0.01 1 19 . 4 PHE HD1 H 7.05 0.01 1 20 . 4 PHE HD2 H 7.05 0.01 1 21 . 4 PHE HE1 H 7.09 0.01 1 22 . 4 PHE HE2 H 7.09 0.01 1 23 . 4 PHE HZ H 7.18 0.01 1 24 . 5 TYR H H 8.12 0.01 1 25 . 5 TYR HA H 4.40 0.01 1 26 . 5 TYR HB2 H 2.40 0.01 1 27 . 5 TYR HB3 H 2.51 0.01 1 28 . 5 TYR HD1 H 5.83 0.01 1 29 . 5 TYR HD2 H 5.83 0.01 1 30 . 5 TYR HE1 H 6.39 0.01 1 31 . 5 TYR HE2 H 6.39 0.01 1 32 . 6 CYS H H 7.76 0.01 1 33 . 6 CYS HA H 4.24 0.01 1 34 . 6 CYS HB2 H 2.61 0.01 1 35 . 6 CYS HB3 H 2.32 0.01 1 36 . 7 ASP H H 8.56 0.01 1 37 . 7 ASP HA H 3.97 0.01 1 38 . 7 ASP HB2 H 2.12 0.01 1 39 . 7 ASP HB3 H 2.24 0.01 1 40 . 8 TYR H H 7.69 0.01 1 41 . 8 TYR HA H 4.03 0.01 1 42 . 8 TYR HB2 H 2.57 0.01 1 43 . 8 TYR HB3 H 2.55 0.01 1 44 . 8 TYR HD1 H 6.85 0.01 1 45 . 8 TYR HD2 H 6.85 0.01 1 46 . 8 TYR HE1 H 6.53 0.01 1 47 . 8 TYR HE2 H 6.53 0.01 1 48 . 9 CYS H H 8.37 0.01 1 49 . 9 CYS HA H 4.25 0.01 1 50 . 9 CYS HB2 H 3.23 0.01 1 51 . 9 CYS HB3 H 2.67 0.01 1 52 . 10 ASP H H 8.06 0.01 1 53 . 10 ASP HA H 4.04 0.01 1 54 . 10 ASP HB3 H 2.47 0.01 1 55 . 10 ASP HB2 H 3.17 0.01 1 56 . 11 THR H H 6.72 0.01 1 57 . 11 THR HA H 4.68 0.01 1 58 . 11 THR HB H 3.69 0.01 1 59 . 11 THR HG2 H 0.99 0.01 1 60 . 12 TYR H H 8.51 0.01 1 61 . 12 TYR HA H 5.26 0.01 1 62 . 12 TYR HB2 H 2.74 0.01 1 63 . 12 TYR HB3 H 2.93 0.01 1 64 . 12 TYR HD1 H 7.12 0.01 1 65 . 12 TYR HD2 H 7.12 0.01 1 66 . 12 TYR HE1 H 6.78 0.01 1 67 . 12 TYR HE2 H 6.78 0.01 1 68 . 13 LEU H H 9.41 0.01 1 69 . 13 LEU HA H 4.83 0.01 1 70 . 13 LEU HB2 H 1.81 0.01 1 71 . 13 LEU HB3 H 1.78 0.01 1 72 . 13 LEU HG H 1.65 0.01 1 73 . 13 LEU HD1 H 0.75 0.01 1 74 . 13 LEU HD2 H 0.74 0.01 1 75 . 14 THR H H 8.39 0.01 1 76 . 14 THR HA H 4.02 0.01 1 77 . 14 THR HB H 4.17 0.01 1 78 . 14 THR HG2 H 1.22 0.01 1 79 . 15 HIS H H 8.13 0.01 1 80 . 15 HIS HA H 4.77 0.01 1 81 . 15 HIS HB2 H 3.33 0.01 1 82 . 15 HIS HB3 H 3.17 0.01 1 83 . 15 HIS HD2 H 7.29 0.01 1 84 . 15 HIS HE1 H 8.45 0.01 1 85 . 16 ASP H H 8.16 0.01 1 86 . 16 ASP HA H 4.43 0.01 1 87 . 16 ASP HB2 H 2.56 0.01 1 88 . 16 ASP HB3 H 2.56 0.01 1 89 . 17 SER H H 7.57 0.01 1 90 . 17 SER HA H 4.87 0.01 1 91 . 17 SER HB2 H 4.26 0.01 2 92 . 17 SER HB3 H 4.06 0.01 2 93 . 18 PRO HA H 4.25 0.01 1 94 . 18 PRO HB2 H 2.07 0.01 1 95 . 18 PRO HB3 H 2.46 0.01 1 96 . 18 PRO HG2 H 2.26 0.01 1 97 . 18 PRO HG3 H 2.33 0.01 1 98 . 18 PRO HD2 H 3.38 0.01 1 99 . 18 PRO HD3 H 3.32 0.01 1 100 . 19 SER H H 8.23 0.01 1 101 . 19 SER HA H 4.28 0.01 1 102 . 19 SER HB2 H 3.94 0.01 2 103 . 20 VAL H H 7.60 0.01 1 104 . 20 VAL HA H 3.81 0.01 1 105 . 20 VAL HB H 2.17 0.01 1 106 . 20 VAL HG1 H 1.08 0.01 1 107 . 20 VAL HG2 H 1.13 0.01 1 108 . 21 ARG H H 8.18 0.01 1 109 . 21 ARG HA H 3.64 0.01 1 110 . 21 ARG HB2 H 1.68 0.01 1 111 . 21 ARG HB3 H 1.78 0.01 1 112 . 21 ARG HG2 H 1.49 0.01 2 113 . 21 ARG HG3 H 1.75 0.01 2 114 . 21 ARG HD2 H 2.72 0.01 2 115 . 22 LYS H H 8.21 0.01 1 116 . 22 LYS HA H 4.00 0.01 1 117 . 22 LYS HB2 H 1.70 0.01 2 118 . 22 LYS HG2 H 1.40 0.01 2 119 . 22 LYS HG3 H 1.50 0.01 2 120 . 22 LYS HD2 H 1.73 0.01 2 121 . 22 LYS HE2 H 2.93 0.01 2 122 . 22 LYS HE3 H 2.98 0.01 2 123 . 23 THR H H 8.37 0.01 1 124 . 23 THR HA H 4.29 0.01 1 125 . 23 THR HB H 3.89 0.01 1 126 . 23 THR HG2 H 1.31 0.01 1 127 . 24 HIS H H 8.30 0.01 1 128 . 24 HIS HA H 4.27 0.01 1 129 . 24 HIS HB2 H 3.32 0.01 1 130 . 24 HIS HB3 H 3.32 0.01 1 131 . 24 HIS HD2 H 6.81 0.01 1 132 . 24 HIS HE1 H 8.20 0.01 1 133 . 25 CYS H H 8.46 0.01 1 134 . 25 CYS HA H 4.75 0.01 1 135 . 25 CYS HB2 H 2.90 0.01 1 136 . 25 CYS HB3 H 2.82 0.01 1 137 . 26 SER H H 7.54 0.01 1 138 . 26 SER HA H 4.43 0.01 1 139 . 26 SER HB2 H 4.03 0.01 2 140 . 27 GLY H H 7.51 0.01 1 141 . 27 GLY HA2 H 4.02 0.01 1 142 . 27 GLY HA3 H 4.18 0.01 1 143 . 28 ARG H H 8.49 0.01 1 144 . 28 ARG HA H 3.93 0.01 1 145 . 28 ARG HB2 H 1.87 0.01 1 146 . 28 ARG HB3 H 2.00 0.01 1 147 . 28 ARG HG2 H 1.78 0.01 1 148 . 28 ARG HG3 H 1.66 0.01 1 149 . 28 ARG HD2 H 3.28 0.01 2 150 . 29 LYS H H 8.55 0.01 1 151 . 29 LYS HA H 4.05 0.01 1 152 . 29 LYS HB2 H 1.61 0.01 1 153 . 29 LYS HB3 H 1.91 0.01 1 154 . 29 LYS HG2 H 1.56 0.01 2 155 . 29 LYS HD2 H 1.85 0.01 2 156 . 29 LYS HE2 H 3.13 0.01 2 157 . 30 HIS H H 7.78 0.01 1 158 . 30 HIS HA H 4.11 0.01 1 159 . 30 HIS HB2 H 2.94 0.01 1 160 . 30 HIS HB3 H 2.22 0.01 1 161 . 30 HIS HD2 H 7.13 0.01 1 162 . 30 HIS HE1 H 8.28 0.01 1 163 . 31 LYS H H 7.95 0.01 1 164 . 31 LYS HA H 3.68 0.01 1 165 . 31 LYS HB2 H 1.92 0.01 1 166 . 31 LYS HB3 H 1.81 0.01 1 167 . 31 LYS HG2 H 1.47 0.01 2 168 . 31 LYS HD2 H 1.63 0.01 2 169 . 31 LYS HE2 H 2.94 0.01 2 170 . 32 GLU H H 8.52 0.01 1 171 . 32 GLU HA H 3.99 0.01 1 172 . 32 GLU HB2 H 2.12 0.01 1 173 . 32 GLU HB3 H 2.35 0.01 1 174 . 32 GLU HG2 H 2.47 0.01 2 175 . 33 ASN H H 8.10 0.01 1 176 . 33 ASN HA H 4.65 0.01 1 177 . 33 ASN HB2 H 2.62 0.01 1 178 . 33 ASN HB3 H 2.95 0.01 1 179 . 33 ASN HD21 H 7.27 0.01 2 180 . 33 ASN HD22 H 7.85 0.01 2 181 . 34 VAL H H 8.35 0.01 1 182 . 34 VAL HA H 3.27 0.01 1 183 . 34 VAL HB H 1.79 0.01 1 184 . 34 VAL HG1 H 0.61 0.01 2 185 . 34 VAL HG2 H -0.16 0.01 2 186 . 35 LYS H H 7.65 0.01 1 187 . 35 LYS HA H 4.09 0.01 1 188 . 35 LYS HB2 H 1.78 0.01 1 189 . 35 LYS HB3 H 2.00 0.01 1 190 . 35 LYS HG2 H 1.51 0.01 2 191 . 35 LYS HG3 H 1.66 0.01 2 192 . 35 LYS HD2 H 1.95 0.01 2 193 . 35 LYS HE2 H 2.98 0.01 2 194 . 36 ASP H H 8.36 0.01 1 195 . 36 ASP HA H 4.51 0.01 1 196 . 36 ASP HB2 H 2.89 0.01 1 197 . 36 ASP HB3 H 2.79 0.01 1 198 . 37 TYR H H 8.16 0.01 1 199 . 37 TYR HA H 4.19 0.01 1 200 . 37 TYR HB2 H 3.30 0.01 1 201 . 37 TYR HB3 H 3.40 0.01 1 202 . 37 TYR HD1 H 6.66 0.01 1 203 . 37 TYR HD2 H 6.66 0.01 1 204 . 37 TYR HE1 H 6.79 0.01 1 205 . 37 TYR HE2 H 6.79 0.01 1 206 . 38 TYR H H 8.16 0.01 1 207 . 38 TYR HA H 4.42 0.01 1 208 . 38 TYR HB2 H 3.30 0.01 1 209 . 38 TYR HB3 H 3.11 0.01 1 210 . 38 TYR HD1 H 7.25 0.01 1 211 . 38 TYR HD2 H 7.25 0.01 1 212 . 38 TYR HE1 H 6.76 0.01 1 213 . 38 TYR HE2 H 6.76 0.01 1 214 . 39 GLN H H 7.94 0.01 1 215 . 39 GLN HA H 4.09 0.01 1 216 . 39 GLN HB2 H 2.25 0.01 2 217 . 39 GLN HB3 H 2.35 0.01 2 218 . 39 GLN HG2 H 2.51 0.01 2 219 . 39 GLN HE21 H 6.83 0.01 2 220 . 39 GLN HE22 H 7.61 0.01 2 221 . 40 LYS H H 8.03 0.01 1 222 . 40 LYS HA H 4.09 0.01 1 223 . 40 LYS HB2 H 1.84 0.01 2 224 . 40 LYS HG2 H 1.45 0.01 2 225 . 40 LYS HD2 H 1.74 0.01 2 226 . 40 LYS HE2 H 2.94 0.01 2 227 . 41 TRP H H 8.23 0.01 1 228 . 41 TRP HA H 4.32 0.01 1 229 . 41 TRP HB2 H 3.42 0.01 1 230 . 41 TRP HB3 H 3.06 0.01 1 231 . 41 TRP HD1 H 7.24 0.01 1 232 . 41 TRP HE1 H 10.1 0.01 1 233 . 41 TRP HE3 H 7.51 0.01 1 234 . 41 TRP HZ2 H 7.46 0.01 1 235 . 41 TRP HZ3 H 7.09 0.01 1 236 . 41 TRP HH2 H 7.47 0.01 1 237 . 42 MET H H 8.11 0.01 1 238 . 42 MET HA H 4.12 0.01 1 239 . 42 MET HB2 H 2.06 0.01 2 240 . 42 MET HB3 H 2.11 0.01 2 241 . 42 MET HG2 H 2.41 0.01 2 242 . 42 MET HG3 H 2.43 0.01 2 243 . 42 MET HE H 2.10 0.01 1 244 . 43 GLU H H 7.94 0.01 1 245 . 43 GLU HA H 4.07 0.01 1 246 . 43 GLU HB2 H 2.05 0.01 2 247 . 43 GLU HG2 H 2.43 0.01 2 248 . 44 GLU H H 7.99 0.01 1 249 . 44 GLU HA H 4.05 0.01 1 250 . 44 GLU HB2 H 2.06 0.01 2 251 . 44 GLU HG2 H 2.39 0.01 2 252 . 45 GLN H H 7.97 0.01 1 253 . 45 GLN HA H 4.14 0.01 1 254 . 45 GLN HB2 H 2.12 0.01 2 255 . 45 GLN HB3 H 2.27 0.01 2 256 . 45 GLN HG2 H 2.40 0.01 2 257 . 45 GLN HG3 H 2.49 0.01 2 258 . 45 GLN HE21 H 6.73 0.01 2 259 . 45 GLN HE22 H 7.55 0.01 2 260 . 46 ALA H H 7.92 0.01 1 261 . 46 ALA HA H 4.12 0.01 1 262 . 46 ALA HB H 1.47 0.01 1 263 . 47 GLN H H 7.92 0.01 1 264 . 47 GLN HA H 4.12 0.01 1 265 . 47 GLN HB2 H 2.07 0.01 2 266 . 47 GLN HG2 H 2.49 0.01 2 267 . 47 GLN HE21 H 6.73 0.01 2 268 . 47 GLN HE22 H 7.54 0.01 2 269 . 48 SER H H 8.07 0.01 1 270 . 48 SER HA H 4.43 0.01 1 271 . 48 SER HB2 H 3.97 0.01 2 272 . 49 LEU H H 7.91 0.01 1 273 . 49 LEU HA H 4.33 0.01 1 274 . 49 LEU HB2 H 1.73 0.01 1 275 . 49 LEU HB3 H 1.45 0.01 1 276 . 49 LEU HG H 1.66 0.01 1 277 . 49 LEU HD1 H 0.89 0.01 2 278 . 50 ILE H H 7.90 0.01 1 279 . 50 ILE HA H 4.05 0.01 1 280 . 50 ILE HB H 1.93 0.01 1 281 . 50 ILE HG12 H 1.17 0.01 1 282 . 50 ILE HG13 H 1.54 0.01 1 283 . 50 ILE HD1 H 0.86 0.01 1 284 . 50 ILE HG2 H 0.93 0.01 1 285 . 51 ASP H H 8.40 0.01 1 286 . 51 ASP HA H 4.61 0.01 1 287 . 51 ASP HB2 H 2.72 0.01 2 288 . 51 ASP HB3 H 2.79 0.01 2 289 . 52 LYS H H 8.31 0.01 1 290 . 52 LYS HA H 4.29 0.01 1 291 . 52 LYS HB2 H 1.93 0.01 2 292 . 52 LYS HB3 H 1.84 0.01 2 293 . 52 LYS HG2 H 1.52 0.01 2 294 . 52 LYS HD2 H 1.78 0.01 2 295 . 52 LYS HE2 H 2.99 0.01 2 296 . 53 THR H H 8.31 0.01 1 297 . 53 THR HA H 4.32 0.01 1 298 . 53 THR HB H 4.32 0.01 1 299 . 53 THR HG2 H 1.27 0.01 1 300 . 54 THR H H 8.09 0.01 1 301 . 54 THR HA H 4.32 0.01 1 302 . 54 THR HB H 4.32 0.01 1 303 . 54 THR HG2 H 1.27 0.01 1 304 . 55 ALA H H 8.15 0.01 1 305 . 55 ALA HA H 4.28 0.01 1 306 . 55 ALA HB H 1.42 0.01 1 307 . 56 ALA H H 8.06 0.01 1 308 . 56 ALA HA H 4.24 0.01 1 309 . 56 ALA HB H 1.35 0.01 1 310 . 57 PHE H H 8.02 0.01 1 311 . 57 PHE HA H 4.60 0.01 1 312 . 57 PHE HB2 H 3.20 0.01 2 313 . 57 PHE HB3 H 3.13 0.01 2 314 . 57 PHE HD1 H 7.28 0.01 1 315 . 57 PHE HD2 H 7.28 0.01 1 316 . 57 PHE HE1 H 7.28 0.01 1 317 . 57 PHE HE2 H 7.28 0.01 1 318 . 57 PHE HZ H 7.35 0.01 1 319 . 58 GLN H H 8.14 0.01 1 320 . 58 GLN HA H 4.33 0.01 1 321 . 58 GLN HB2 H 2.06 0.01 2 322 . 58 GLN HB3 H 2.18 0.01 2 323 . 58 GLN HG2 H 2.44 0.01 2 324 . 58 GLN HE21 H 6.90 0.01 2 325 . 58 GLN HE22 H 7.57 0.01 2 326 . 59 GLN H H 8.27 0.01 1 327 . 59 GLN HA H 4.34 0.01 1 328 . 59 GLN HB2 H 2.00 0.01 2 329 . 59 GLN HB3 H 2.13 0.01 2 330 . 59 GLN HG2 H 2.36 0.01 2 331 . 59 GLN HE21 H 6.91 0.01 2 332 . 59 GLN HE22 H 7.51 0.01 2 333 . 60 GLY H H 8.43 0.01 1 334 . 60 GLY HA2 H 4.00 0.01 2 335 . 61 LYS H H 7.85 0.01 1 336 . 61 LYS HA H 4.21 0.01 1 337 . 61 LYS HB2 H 1.73 0.01 2 338 . 61 LYS HB3 H 1.87 0.01 2 339 . 61 LYS HG2 H 1.41 0.01 2 340 . 61 LYS HD2 H 1.69 0.01 2 341 . 61 LYS HE2 H 3.03 0.01 2 stop_ save_