data_1658 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Two-dimensional 1H, 15N-NMR investigation of uniformly 15N-labeled ribonuclease T1 (Complete assignment of 15N resonances) ; _BMRB_accession_number 1658 _BMRB_flat_file_name bmr1658.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 Schmidt Jurgen M. . 2 Thuring Harald . . 3 Werner Angela . . 4 Ruterjans Heinz . . 5 Quaas Rainer . . 6 Hahn Ulrich . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 2009-02-19 revision author 'update residue sequence: 18 TYR ==> THR, 50 SER ==> PHE' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Schmidt, Jurgen M., Thuring, Harald, Werner, Angela, Ruterjans, Heinz, Quaas, Rainer, Hahn, Ulrich, "Two-dimensional 1H, 15N-NMR investigation of uniformly 15N-labeled ribonuclease T1 (Complete assignment of 15N resonances)," Eur. J. Biochem. 197, 643-653 (1991). ; _Citation_title ; Two-dimensional 1H, 15N-NMR investigation of uniformly 15N-labeled ribonuclease T1 (Complete assignment of 15N resonances) ; _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 Schmidt Jurgen M. . 2 Thuring Harald . . 3 Werner Angela . . 4 Ruterjans Heinz . . 5 Quaas Rainer . . 6 Hahn Ulrich . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 197 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 643 _Page_last 653 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_ribonuclease_T1 _Saveframe_category molecular_system _Mol_system_name 'ribonuclease T1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ribonuclease T1' $ribonuclease_T1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ribonuclease_T1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ribonuclease T1' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; ACDYTCGSNCYSSSDVSTAQ AAGYKLHEDGETVGSNSYPH KYNNYEGFDFSVSSPYYEWP ILSSGDVYSGGSPGADRVVF NENNQLAGVITHTGASGNNF VECT ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 CYS 3 ASP 4 TYR 5 THR 6 CYS 7 GLY 8 SER 9 ASN 10 CYS 11 TYR 12 SER 13 SER 14 SER 15 ASP 16 VAL 17 SER 18 THR 19 ALA 20 GLN 21 ALA 22 ALA 23 GLY 24 TYR 25 LYS 26 LEU 27 HIS 28 GLU 29 ASP 30 GLY 31 GLU 32 THR 33 VAL 34 GLY 35 SER 36 ASN 37 SER 38 TYR 39 PRO 40 HIS 41 LYS 42 TYR 43 ASN 44 ASN 45 TYR 46 GLU 47 GLY 48 PHE 49 ASP 50 PHE 51 SER 52 VAL 53 SER 54 SER 55 PRO 56 TYR 57 TYR 58 GLU 59 TRP 60 PRO 61 ILE 62 LEU 63 SER 64 SER 65 GLY 66 ASP 67 VAL 68 TYR 69 SER 70 GLY 71 GLY 72 SER 73 PRO 74 GLY 75 ALA 76 ASP 77 ARG 78 VAL 79 VAL 80 PHE 81 ASN 82 GLU 83 ASN 84 ASN 85 GLN 86 LEU 87 ALA 88 GLY 89 VAL 90 ILE 91 THR 92 HIS 93 THR 94 GLY 95 ALA 96 SER 97 GLY 98 ASN 99 ASN 100 PHE 101 VAL 102 GLU 103 CYS 104 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 15905 RNase_T1 100.00 104 100.00 100.00 3.21e-68 BMRB 16469 RNase_T1 100.00 104 100.00 100.00 3.21e-68 BMRB 16580 RNase_T1 100.00 104 100.00 100.00 3.21e-68 PDB 1B2M "Three-Dimensional Structure Of Ribonulcease T1 Complexed With An Isosteric Phosphonate Analogue Of Gpu: Alternate Substrate Bin" 100.00 104 99.04 100.00 1.09e-67 PDB 1BIR "Ribonuclease T1, Phe 100 To Ala Mutant Complexed With 2' Gmp" 100.00 104 99.04 99.04 4.50e-67 PDB 1BU4 "Ribonuclease 1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 1BVI "Ribonuclease T1 (Wildtype) Complexed With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 1DET "Ribonuclease T1 Carboxymethylated At Glu 58 In Complex With 2'gmp" 100.00 104 98.08 99.04 1.02e-66 PDB 1FYS "Ribonuclease T1 V16c Mutant" 100.00 104 99.04 99.04 3.17e-67 PDB 1FZU "Rnase T1 V78a Mutant" 100.00 104 99.04 99.04 1.21e-67 PDB 1G02 "Ribonuclease T1 V16s Mutant" 100.00 104 99.04 99.04 2.55e-67 PDB 1GSP "Ribonuclease T1 Complexed With 2',3'-Cgps, 1 Day" 100.00 104 100.00 100.00 3.21e-68 PDB 1HYF "Ribonuclease T1 V16a Mutant In Complex With Sr2+" 100.00 104 99.04 99.04 1.21e-67 PDB 1HZ1 "Ribonuclease T1 V16a Mutant In Complex With Mg2+" 100.00 104 99.04 99.04 1.21e-67 PDB 1I0V "Ribonuclease T1 In Complex With 2'gmp (Form I Crystal)" 100.00 104 100.00 100.00 3.21e-68 PDB 1I0X "Ribonuclease T1 In Complex With 2'gmp (Form Ii Crystal)" 100.00 104 100.00 100.00 3.21e-68 PDB 1I2E "Ribonuclease T1 V16a Mutant, Form I" 100.00 104 99.04 99.04 1.21e-67 PDB 1I2F "Ribonuclease T1 V16a Mutant, Form Ii" 100.00 104 99.04 99.04 1.21e-67 PDB 1I2G "Ribonuclease T1 V16t Mutant" 100.00 104 99.04 99.04 1.24e-67 PDB 1I3F "Ribonuclease T1 V89s Mutant" 100.00 104 99.04 99.04 2.55e-67 PDB 1I3I "Ribonuclease T1 V78t Mutant" 100.00 104 99.04 99.04 1.24e-67 PDB 1IYY "Nmr Structure Of Gln25-Ribonuclease T1, 24 Structures" 100.00 104 99.04 100.00 1.09e-67 PDB 1LOV "X-ray Structure Of The E58a Mutant Of Ribonuclease T1 Complexed With 3'-guanosine Monophosphate" 100.00 104 99.04 99.04 2.05e-67 PDB 1LOW "X-ray Structure Of The H40a Mutant Of Ribonuclease T1 Complexed With 3'-guanosine Monophosphate" 100.00 104 99.04 99.04 5.47e-67 PDB 1LOY "X-Ray Structure Of The H40aE58A MUTANT OF RIBONUCLEASE T1 Complexed With 3'-Guanosine Monophosphate" 100.00 104 98.08 98.08 3.07e-66 PDB 1LRA "Crystallographic Study Of Glu 58 Ala Rnase T1(Asterisk)2'-Guanosine Monophosphate At 1.9 Angstroms Resolution" 100.00 104 99.04 99.04 2.05e-67 PDB 1RGA "Crystal Structure Of Rnase T1 With 3'-Gmp And Guanosine: A Product Complex" 100.00 104 100.00 100.00 3.21e-68 PDB 1RGC "The Complex Between Ribonuclease T1 And 3'-guanylic Acid Suggests Geometry Of Enzymatic Reaction Path. An X-ray Study" 100.00 104 100.00 100.00 3.21e-68 PDB 1RGK "Rnase T1 Mutant Glu46gln Binds The Inhibitors 2'gmp And 2'amp At The 3' Subsite" 100.00 104 99.04 100.00 7.85e-68 PDB 1RGL "Rnase T1 Mutant Glu46gln Binds The Inhibitors 2'gmp And 2'amp At The 3' Subsite" 100.00 104 99.04 100.00 7.85e-68 PDB 1RHL "Ribonuclease T1 Complexed With 2'gmpG23A MUTANT" 100.00 104 99.04 99.04 1.56e-67 PDB 1RLS "Crystal Structure Of Rnase T1 Complexed With The Product Nucleotide 3'-Gmp. Structural Evidence For Direct Interaction Of Histi" 100.00 104 99.04 100.00 1.09e-67 PDB 1RN1 "Three-Dimensional Structure Of Gln 25-Ribonuclease T1 At 1.84 Angstroms Resolution: Structural Variations At The Base Recogniti" 100.00 104 99.04 100.00 1.09e-67 PDB 1RN4 "His92ala Mutation In Ribonuclease T1 Induces Segmental Flexibility. An X-Ray Study" 100.00 104 99.04 99.04 5.47e-67 PDB 1RNT "Restrained Least-Squares Refinement Of The Crystal Structure Of The Ribonuclease T1(Asterisk)2(Prime)- Guanylic Acid Complex At" 100.00 104 100.00 100.00 3.21e-68 PDB 1TRP "X-ray Crystallographic And Calorimeric Studies Of The Effects Of The Mutation Trp 59 Tyr In Ribonuclease T1" 100.00 104 98.08 100.00 3.13e-66 PDB 1TRQ "X-ray Crystallographic And Calorimeric Studies Of The Effects Of The Mutation Trp 59 Tyr In Ribonuclease T1" 100.00 104 99.04 100.00 4.35e-67 PDB 1YGW "Nmr Structure Of Ribonuclease T1, 34 Structures" 99.04 104 100.00 100.00 1.56e-67 PDB 2AAD "The Role Of Histidine-40 In Ribonuclease T1 Catalysis: Three-Dimensional Structures Of The Partially Active His40lys Mutant" 100.00 104 99.04 99.04 3.58e-67 PDB 2AAE "The Role Of Histidine-40 In Ribonuclease T1 Catalysis: Three-Dimensional Structures Of The Partially Active His40lys Mutant" 100.00 104 99.04 99.04 3.58e-67 PDB 2BIR "Additivity Of Substrate Binding In Ribonuclease T1 (Y42a Mutant)" 100.00 104 98.08 98.08 3.13e-66 PDB 2BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 2GSP "Ribonuclease T12',3'-Cgps And 3'-Gmp, 2 Days" 100.00 104 100.00 100.00 3.21e-68 PDB 2HOH "Ribonuclease T1 (n9a Mutant) Complexed With 2'gmp" 100.00 104 99.04 99.04 2.47e-67 PDB 2RNT "Three-Dimensional Structure Of Ribonuclease T1 Complexed With Guanylyl-2(Prime),5(Prime)-Guanosine At 1.8 Angstroms Resolution" 100.00 104 100.00 100.00 3.21e-68 PDB 3BIR "Disecting Histidine Interactions In Ribonuclease T1 By Asn And Gln Substitutions" 100.00 104 99.04 100.00 3.21e-67 PDB 3BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 3GSP "Ribonuclease T1 Complexed With 2',3'-Cgps + 3'-Gmp, 4 Days" 100.00 104 100.00 100.00 3.21e-68 PDB 3HOH "Ribonuclease T1 (Thr93gln Mutant) Complexed With 2'gmp" 100.00 104 99.04 99.04 1.67e-67 PDB 3RNT "Crystal Structure Of Guanosine-Free Ribonuclease T1, Complexed With Vanadate(V), Suggests Conformational Change Upon Substrate " 100.00 104 100.00 100.00 3.21e-68 PDB 3SYU "Re-Refined Coordinates For Pdb Entry 1det - Ribonuclease T1 Carboxymethylated At Glu 58 In Complex With 2'gmp" 100.00 104 98.08 99.04 1.02e-66 PDB 3URP "Re-refinement Of Pdb Entry 5rnt - Ribonuclease T1 With Guanosine-3', 5'-diphosphate And Phosphate Ion Bound" 100.00 104 100.00 100.00 3.21e-68 PDB 4BIR "Ribonuclease T1: Free His92gln Mutant" 100.00 104 99.04 99.04 2.42e-67 PDB 4BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 4GSP "Ribonuclease T1 Complexed With 2',3'-Cgps + 3'-Gmp, 7 Days" 100.00 104 100.00 100.00 3.21e-68 PDB 4HOH "Ribonuclease T1 (Thr93ala Mutant) Complexed With 2'gmp" 100.00 104 99.04 99.04 1.54e-67 PDB 4RNT "His 92 Ala Mutation In Ribonuclease T1 Induces Segmental Flexibility. An X-Ray Study" 100.00 104 99.04 99.04 5.47e-67 PDB 5BIR "Disecting Histidine Interactions In Ribonuclease T1 Using Asn And Gln Mutations" 100.00 104 99.04 99.04 2.42e-67 PDB 5BU4 "Ribonuclease T1 Complex With 2'gmp" 100.00 104 100.00 100.00 3.21e-68 PDB 5GSP "Ribonuclease T13'-Gmp, 9 Weeks" 100.00 104 100.00 100.00 3.21e-68 PDB 5HOH "Ribonuclease T1 (Asn9alaTHR93ALA DOUBLEMUTANT) COMPLEXED With 2'gmp" 100.00 104 98.08 98.08 1.16e-66 PDB 5RNT "X-Ray Analysis Of Cubic Crystals Of The Complex Formed Between Ribonuclease T1 And Guanosine-3',5'-Bisphosphate" 100.00 104 100.00 100.00 3.21e-68 PDB 6GSP "Ribonuclease T1/3'-gmp, 15 Weeks" 100.00 104 100.00 100.00 3.21e-68 PDB 6RNT "Crystal Structure Of Ribonuclease T1 Complexed With Adenosine 2'-monophosphate At 1.8-angstroms Resolution" 100.00 104 100.00 100.00 3.21e-68 PDB 7GSP "Ribonuclease T12',3'-Cgps, Non-Productive" 100.00 104 100.00 100.00 3.21e-68 PDB 7RNT "Crystal Structure Of The Tyr45trp Mutant Of Ribonuclease T1 In A Complex With 2'-Adenylic Acid" 100.00 104 99.04 100.00 1.34e-67 PDB 8RNT "Structure Of Ribonuclease T1 Complexed With Zinc(Ii) At 1.8 Angstroms Resolution: A Zn2+.6h2o.Carboxylate Clathrate" 100.00 104 100.00 100.00 3.21e-68 PDB 9RNT "Ribonuclease T1 With Free Recognition And Catalytic Site: Crystal Structure Analysis At 1.5 Angstroms Resolution" 100.00 104 100.00 100.00 3.21e-68 DBJ BAA05707 "ribonuclease T1 [Aspergillus oryzae]" 100.00 130 99.04 100.00 1.65e-68 DBJ BAA08407 "ribonuclease T1 [Aspergillus oryzae]" 100.00 130 99.04 100.00 1.65e-68 DBJ BAE64671 "unnamed protein product [Aspergillus oryzae RIB40]" 100.00 130 99.04 100.00 1.65e-68 EMBL CAA30560 "unnamed protein product [Aspergillus oryzae]" 100.00 104 100.00 100.00 3.21e-68 GB AAA72541 "RNase T1 [synthetic construct]" 100.00 105 99.04 100.00 1.14e-67 GB AAA72994 "fusion gene containing ompA-signal peptide/RNase T1 [synthetic construct]" 100.00 125 100.00 100.00 2.89e-69 GB EED52238 "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" 100.00 130 99.04 100.00 1.65e-68 GB EIT74451 "guanyl-specific ribonuclease T1 [Aspergillus oryzae 3.042]" 100.00 130 99.04 100.00 1.65e-68 GB KDE77875 "guanyl-specific ribonuclease T1 [Aspergillus oryzae 100-8]" 100.00 130 99.04 100.00 1.65e-68 REF XP_001825804 "guanyl-specific ribonuclease T1 [Aspergillus oryzae RIB40]" 100.00 130 99.04 100.00 1.65e-68 REF XP_002377402 "extracellular guanyl-specific ribonuclease RntA [Aspergillus flavus NRRL3357]" 100.00 130 99.04 100.00 1.65e-68 SP P00651 "RecName: Full=Guanyl-specific ribonuclease T1; Short=RNase T1; Flags: Precursor" 100.00 130 99.04 100.00 1.65e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $ribonuclease_T1 . 5062 Eukaryota Fungi Aspergillus oryzae generic 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 $ribonuclease_T1 'not available' . Escherichia coli DH5alpha . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one 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 5.5 . na temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label 'liquid NH3' N . . ppm 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_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 'ribonuclease T1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ALA N N 40.5 . 1 2 . 3 ASP N N 128.4 . 1 3 . 4 TYR N N 115.4 . 1 4 . 5 THR N N 120.6 . 1 5 . 6 CYS N N 126.9 . 1 6 . 7 GLY N N 117.4 . 1 7 . 8 SER N N 123.6 . 1 8 . 9 ASN ND2 N 116.9 . 1 9 . 9 ASN N N 121.7 . 1 10 . 10 CYS N N 124.3 . 1 11 . 11 TYR N N 126.4 . 1 12 . 12 SER N N 119.8 . 1 13 . 13 SER N N 119.5 . 1 14 . 14 SER N N 117.8 . 1 15 . 15 ASP N N 126.2 . 1 16 . 16 VAL N N 121.7 . 1 17 . 17 SER N N 116.1 . 1 18 . 18 THR N N 120.4 . 1 19 . 19 ALA N N 124.4 . 1 20 . 20 GLN NE2 N 106.1 . 1 21 . 20 GLN N N 118.3 . 1 22 . 21 ALA N N 119 . 1 23 . 22 ALA N N 120.4 . 1 24 . 23 GLY N N 105.3 . 1 25 . 24 TYR N N 123.7 . 1 26 . 25 LYS NZ N 33 . 1 27 . 25 LYS N N 119.3 . 1 28 . 26 LEU N N 117.8 . 1 29 . 27 HIS ND1 N 177.2 . 1 30 . 27 HIS NE2 N 177 . 1 31 . 27 HIS N N 116.2 . 1 32 . 28 GLU N N 120.9 . 1 33 . 29 ASP N N 117.9 . 1 34 . 30 GLY N N 109.9 . 1 35 . 31 GLU N N 120 . 1 36 . 32 THR N N 109 . 1 37 . 33 VAL N N 115.1 . 1 38 . 34 GLY N N 109.5 . 1 39 . 36 ASN ND2 N 112.5 . 1 40 . 36 ASN N N 122.7 . 1 41 . 37 SER N N 112 . 1 42 . 38 TYR N N 121.1 . 1 43 . 39 PRO N N 132.9 . 1 44 . 40 HIS ND1 N 176.7 . 1 45 . 40 HIS NE2 N 175.7 . 1 46 . 40 HIS N N 114.5 . 1 47 . 41 LYS NZ N 33 . 1 48 . 41 LYS N N 125.6 . 1 49 . 42 TYR N N 128 . 1 50 . 43 ASN ND2 N 112.8 . 1 51 . 43 ASN N N 125.5 . 1 52 . 44 ASN ND2 N 105.7 . 1 53 . 44 ASN N N 114.3 . 1 54 . 45 TYR N N 121.6 . 1 55 . 46 GLU N N 118.5 . 1 56 . 47 GLY N N 107.3 . 1 57 . 48 PHE N N 121.5 . 1 58 . 49 ASP N N 124 . 1 59 . 50 PHE N N 122.5 . 1 60 . 51 SER N N 117 . 1 61 . 52 VAL N N 111.7 . 1 62 . 53 SER N N 119.5 . 1 63 . 54 SER N N 119.3 . 1 64 . 55 PRO N N 135.3 . 1 65 . 56 TYR N N 117.4 . 1 66 . 57 TYR N N 118.6 . 1 67 . 58 GLU N N 117.4 . 1 68 . 59 TRP NE1 N 130.9 . 1 69 . 59 TRP N N 124.1 . 1 70 . 60 PRO N N 141.2 . 1 71 . 61 ILE N N 121 . 1 72 . 62 LEU N N 125.2 . 1 73 . 63 SER N N 120.8 . 1 74 . 64 SER N N 114.3 . 1 75 . 65 GLY N N 110.2 . 1 76 . 66 ASP N N 120 . 1 77 . 67 VAL N N 121.2 . 1 78 . 68 TYR N N 129.3 . 1 79 . 69 SER N N 118.7 . 1 80 . 70 GLY N N 105.9 . 1 81 . 73 PRO N N 139.5 . 1 82 . 74 GLY N N 106.7 . 1 83 . 75 ALA N N 125.2 . 1 84 . 76 ASP N N 118.7 . 1 85 . 77 ARG NE N 86 . 1 86 . 77 ARG NH1 N 71 . 1 87 . 77 ARG NH2 N 72 . 1 88 . 77 ARG N N 122 . 1 89 . 78 VAL N N 116.9 . 1 90 . 79 VAL N N 123.9 . 1 91 . 80 PHE N N 123.7 . 1 92 . 81 ASN ND2 N 113.6 . 1 93 . 81 ASN N N 121.4 . 1 94 . 82 GLU N N 116.5 . 1 95 . 83 ASN ND2 N 111.7 . 1 96 . 83 ASN N N 115 . 1 97 . 84 ASN N N 116.2 . 1 98 . 85 GLN NE2 N 113.8 . 1 99 . 85 GLN N N 114.4 . 1 100 . 86 LEU N N 124.8 . 1 101 . 87 ALA N N 131.2 . 1 102 . 88 GLY N N 101.3 . 1 103 . 89 VAL N N 121.5 . 1 104 . 90 ILE N N 119.7 . 1 105 . 91 THR N N 113.1 . 1 106 . 92 HIS ND1 N 172.2 . 1 107 . 92 HIS NE2 N 174.3 . 1 108 . 92 HIS N N 124.6 . 1 109 . 93 THR N N 124.1 . 1 110 . 94 GLY N N 115.2 . 1 111 . 95 ALA N N 123.7 . 1 112 . 96 SER N N 115.5 . 1 113 . 97 GLY N N 111.8 . 1 114 . 99 ASN ND2 N 113.1 . 1 115 . 99 ASN N N 118 . 1 116 . 100 PHE N N 119.6 . 1 117 . 101 VAL N N 113.7 . 1 118 . 102 GLU N N 121.1 . 1 119 . 103 CYS N N 121.9 . 1 120 . 104 THR N N 120.1 . 1 stop_ save_