data_1582 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Deletion of the omega-loop in the Active Site of Staphylococcal Nuclease 2. Effects on Protein Structure and Dynamics ; _BMRB_accession_number 1582 _BMRB_flat_file_name bmr1582.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 Baldisseri Donna M. . 2 Torchia Dennis A. . 3 Poole Leslie B. . 4 Gerlt John A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 129 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 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 ; Baldisseri, Donna M., Torchia, Dennis A., Poole, Leslie B., Gerlt, John A., "Deletion of the omega-loop in the Active Site of Staphylococcal Nuclease 2. Effects on Protein Structure and Dynamics," Biochemistry 30, 3628-3633 (1991). ; _Citation_title ; Deletion of the omega-loop in the Active Site of Staphylococcal Nuclease 2. Effects on Protein Structure and Dynamics ; _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 Baldisseri Donna M. . 2 Torchia Dennis A. . 3 Poole Leslie B. . 4 Gerlt John A. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3628 _Page_last 3633 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_micrococcal_nuclease _Saveframe_category molecular_system _Mol_system_name 'micrococcal nuclease' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'micrococcal nuclease' $micrococcal_nuclease stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_micrococcal_nuclease _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'micrococcal nuclease' _Name_variant D43 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; XXXXXXXXXXXXKLHKEPAT LIKAIDGDTVKLMYKGQPMT FRLLLVDTPDTKHPKKGVEK YGPEASAFTKKMVENAKKIE VEFNKGQRTDKYGRGLAYIY ADGKMVNEALVRQGLAKVAY VYKPNNTHEQHLRKSEAQAK KEKLNIWSENDADSGQ ; loop_ _Residue_seq_code _Residue_label 1 X 2 X 3 X 4 X 5 X 6 X 7 X 8 X 9 X 10 X 11 X 12 X 13 LYS 14 LEU 15 HIS 16 LYS 17 GLU 18 PRO 19 ALA 20 THR 21 LEU 22 ILE 23 LYS 24 ALA 25 ILE 26 ASP 27 GLY 28 ASP 29 THR 30 VAL 31 LYS 32 LEU 33 MET 34 TYR 35 LYS 36 GLY 37 GLN 38 PRO 39 MET 40 THR 41 PHE 42 ARG 43 LEU 44 LEU 45 LEU 46 VAL 47 ASP 48 THR 49 PRO 50 ASP 51 THR 52 LYS 53 HIS 54 PRO 55 LYS 56 LYS 57 GLY 58 VAL 59 GLU 60 LYS 61 TYR 62 GLY 63 PRO 64 GLU 65 ALA 66 SER 67 ALA 68 PHE 69 THR 70 LYS 71 LYS 72 MET 73 VAL 74 GLU 75 ASN 76 ALA 77 LYS 78 LYS 79 ILE 80 GLU 81 VAL 82 GLU 83 PHE 84 ASN 85 LYS 86 GLY 87 GLN 88 ARG 89 THR 90 ASP 91 LYS 92 TYR 93 GLY 94 ARG 95 GLY 96 LEU 97 ALA 98 TYR 99 ILE 100 TYR 101 ALA 102 ASP 103 GLY 104 LYS 105 MET 106 VAL 107 ASN 108 GLU 109 ALA 110 LEU 111 VAL 112 ARG 113 GLN 114 GLY 115 LEU 116 ALA 117 LYS 118 VAL 119 ALA 120 TYR 121 VAL 122 TYR 123 LYS 124 PRO 125 ASN 126 ASN 127 THR 128 HIS 129 GLU 130 GLN 131 HIS 132 LEU 133 ARG 134 LYS 135 SER 136 GLU 137 ALA 138 GLN 139 ALA 140 LYS 141 LYS 142 GLU 143 LYS 144 LEU 145 ASN 146 ILE 147 TRP 148 SER 149 GLU 150 ASN 151 ASP 152 ALA 153 ASP 154 SER 155 GLY 156 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 BMRB 136 "micrococcal nuclease" 92.31 156 99.31 100.00 1.68e-99 BMRB 1581 "micrococcal nuclease" 92.31 156 99.31 100.00 3.24e-99 BMRB 16585 SNase140 86.54 140 97.78 99.26 3.91e-90 BMRB 1704 "micrococcal nuclease" 88.46 143 97.10 99.28 1.15e-91 BMRB 1874 "micrococcal nuclease" 88.46 143 97.10 99.28 1.15e-91 BMRB 1875 "micrococcal nuclease" 88.46 143 97.10 99.28 1.15e-91 BMRB 1876 "micrococcal nuclease" 88.46 143 97.10 99.28 1.15e-91 BMRB 1877 "micrococcal nuclease" 88.46 143 97.10 99.28 1.15e-91 BMRB 1878 "micrococcal nuclease" 88.46 143 97.10 99.28 1.15e-91 BMRB 188 "micrococcal nuclease" 92.31 156 99.31 100.00 1.68e-99 BMRB 189 "micrococcal nuclease" 92.31 156 99.31 100.00 1.68e-99 BMRB 2784 "micrococcal nuclease" 92.31 156 99.31 100.00 1.68e-99 BMRB 2785 "micrococcal nuclease" 92.31 156 99.31 100.00 1.68e-99 PDB 1ENA "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 86.54 135 97.78 100.00 6.24e-91 PDB 1EY0 "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" 92.31 149 97.22 100.00 1.87e-97 PDB 1EYD "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" 92.31 149 97.22 100.00 1.87e-97 PDB 1KAA "Stress And Strain In Staphylococcal Nuclease" 87.18 136 97.79 99.26 2.36e-91 PDB 1KAB "Stress And Strain In Staphylococcal Nuclease" 87.18 136 97.79 99.26 3.82e-91 PDB 1KDA "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 92.31 149 97.92 99.31 4.34e-98 PDB 1KDB "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 92.31 149 97.92 100.00 2.46e-98 PDB 1KDC "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 92.31 149 97.92 99.31 3.13e-98 PDB 1NSN "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" 92.31 149 98.61 100.00 6.35e-99 PDB 1RKN "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" 67.31 110 97.14 99.05 5.06e-66 PDB 1SNC "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" 92.31 149 97.22 100.00 1.87e-97 PDB 1SNM "Active Site Mutant Glu-43 (right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" 92.31 149 97.92 100.00 3.93e-98 PDB 1STG "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" 92.31 149 97.22 100.00 1.87e-97 PDB 1STH "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" 92.31 149 97.22 100.00 1.87e-97 PDB 1STN "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" 92.31 149 97.22 100.00 1.87e-97 PDB 2ENB "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 86.54 135 97.78 100.00 6.24e-91 PDB 2F3V "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" 67.31 110 97.14 99.05 4.59e-66 PDB 2F3W "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" 67.31 110 98.10 100.00 2.30e-67 PDB 2KHS "Solution Structure Of Snase121:snase(111-143) Complex" 74.36 121 98.28 100.00 1.24e-76 PDB 2KQ3 "Solution Structure Of Snase140" 86.54 140 97.78 99.26 3.91e-90 PDB 2SNS "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" 92.31 149 99.31 100.00 1.07e-99 PDB 4G57 "Staphylococcal Nuclease Double Mutant I72l, I92l" 86.54 135 97.04 100.00 8.48e-91 PDB 4K14 "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" 87.18 136 97.06 100.00 1.96e-91 PDB 4K8I "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" 86.54 135 97.04 100.00 7.35e-91 PDB 4K8J "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" 86.54 135 97.04 100.00 6.45e-91 PDB 4WOR "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" 92.31 149 97.22 100.00 1.87e-97 DBJ BAT21500 "thermostable nuclease, partial [Staphylococcus aureus]" 50.00 78 97.44 100.00 9.66e-47 EMBL CAA24594 "nuclease [Staphylococcus aureus]" 92.31 231 97.22 100.00 6.59e-98 GB AAC14660 "deltaSP-Nuc [Cloning vector pFUN]" 92.31 155 97.22 100.00 2.95e-97 GB ABF58092 "thermostable nuclease [Staphylococcus aureus]" 85.90 218 97.76 99.25 3.05e-89 GB ABF58093 "thermostable nuclease [Staphylococcus aureus]" 85.90 218 97.76 99.25 4.04e-89 GB ABF58094 "thermostable nuclease [Staphylococcus aureus]" 85.90 218 97.01 99.25 2.26e-88 GB ABF58095 "thermostable nuclease [Staphylococcus aureus]" 85.90 218 97.01 98.51 1.34e-88 PRF 1109959A nuclease,staphylococcal 92.31 242 97.22 100.00 7.72e-98 PRF 710414A nuclease 92.31 149 97.22 100.00 1.87e-97 REF WP_049881958 "thermonuclease, partial [Staphylococcus aureus]" 67.31 189 97.14 99.05 2.70e-67 REF WP_052471469 "thermonuclease [Lactobacillus kunkeei]" 92.31 192 97.22 100.00 2.06e-97 SP P00644 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" 92.31 231 97.22 100.00 6.59e-98 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 $micrococcal_nuclease . 1280 bacteria . Staphylococcus aureus 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 $micrococcal_nuclease 'not available' . Escherichia coli N4830 . 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 6.4 . na temperature 310 . 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 TSP H . . ppm 0 . . . . . $entry_citation $entry_citation '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 'micrococcal nuclease' _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 . 13 LYS H H 8.09 0.02 1 2 . 13 LYS N N 121.9 0.02 1 3 . 14 LEU H H 8.25 0.02 1 4 . 14 LEU N N 122.1 0.02 1 5 . 15 HIS H H 8.8 0.02 1 6 . 15 HIS N N 119.3 0.02 1 7 . 16 LYS H H 8.38 0.02 1 8 . 16 LYS N N 123.8 0.02 1 9 . 17 GLU H H 9.35 0.02 1 10 . 17 GLU N N 123.1 0.02 1 11 . 19 ALA H H 8.06 0.02 1 12 . 19 ALA N N 119.8 0.02 1 13 . 20 THR H H 8.07 0.02 1 14 . 20 THR N N 109 0.02 1 15 . 21 LEU H H 9.11 0.02 1 16 . 21 LEU N N 125.2 0.02 1 17 . 22 ILE H H 8.39 0.02 1 18 . 22 ILE N N 125 0.02 1 19 . 23 LYS H H 8.01 0.02 1 20 . 23 LYS N N 114.1 0.02 1 21 . 24 ALA H H 9.41 0.02 1 22 . 24 ALA N N 129.1 0.02 1 23 . 25 ILE H H 8.03 0.02 1 24 . 25 ILE N N 123.5 0.02 1 25 . 26 ASP H H 8.34 0.02 1 26 . 26 ASP N N 119.5 0.02 1 27 . 27 GLY H H 8.43 0.02 1 28 . 27 GLY N N 103.3 0.02 1 29 . 28 ASP H H 7.61 0.02 1 30 . 28 ASP N N 111.6 0.02 1 31 . 29 THR H H 7.63 0.02 1 32 . 29 THR N N 114.1 0.02 1 33 . 30 VAL H H 8.98 0.02 1 34 . 30 VAL N N 118.9 0.02 1 35 . 31 LYS H H 9.43 0.02 1 36 . 31 LYS N N 127.1 0.02 1 37 . 32 LEU H H 9.32 0.02 1 38 . 32 LEU N N 126.9 0.02 1 39 . 33 MET H H 9.51 0.02 1 40 . 33 MET N N 121.9 0.02 1 41 . 34 TYR H H 9.01 0.02 1 42 . 34 TYR N N 129.5 0.02 1 43 . 35 LYS H H 9.26 0.02 1 44 . 35 LYS N N 127.5 0.02 1 45 . 36 GLY H H 8.4 0.02 1 46 . 36 GLY N N 102.3 0.02 1 47 . 37 GLN H H 7.8 0.02 1 48 . 37 GLN N N 119.2 0.02 1 49 . 39 MET H H 9.52 0.02 1 50 . 39 MET N N 125.4 0.02 1 51 . 40 THR H H 8.88 0.02 1 52 . 40 THR N N 123.4 0.02 1 53 . 41 PHE H H 9.61 0.02 1 54 . 41 PHE N N 126.2 0.02 1 55 . 42 ARG H H 9.73 0.02 1 56 . 42 ARG N N 124.6 0.02 1 57 . 43 LEU H H 8.51 0.02 1 58 . 43 LEU N N 124.8 0.02 1 59 . 44 LEU H H 7.41 0.02 1 60 . 44 LEU N N 121.7 0.02 1 61 . 45 LEU H H 9.38 0.02 1 62 . 45 LEU N N 111 0.02 1 63 . 46 VAL H H 6.93 0.02 1 64 . 46 VAL N N 103.6 0.02 1 65 . 47 ASP H H 8.71 0.02 1 66 . 47 ASP N N 119.1 0.02 1 67 . 48 THR H H 8.83 0.02 1 68 . 48 THR N N 118.8 0.02 1 69 . 55 LYS H H 9.39 0.02 1 70 . 55 LYS N N 117.6 0.02 1 71 . 58 VAL H H 8.09 0.02 1 72 . 58 VAL N N 122.2 0.02 1 73 . 59 GLU H H 8.33 0.02 1 74 . 59 GLU N N 126.3 0.02 1 75 . 62 GLY H H 8.74 0.02 1 76 . 62 GLY N N 108.7 0.02 1 77 . 65 ALA H H 8.9 0.02 1 78 . 65 ALA N N 124.5 0.02 1 79 . 66 SER H H 8.28 0.02 1 80 . 66 SER N N 111.9 0.02 1 81 . 67 ALA H H 8.35 0.02 1 82 . 67 ALA N N 122.8 0.02 1 83 . 68 PHE H H 8.17 0.02 1 84 . 68 PHE N N 121.5 0.02 1 85 . 69 THR H H 8.53 0.02 1 86 . 69 THR N N 120.2 0.02 1 87 . 70 LYS H H 7.92 0.02 1 88 . 70 LYS N N 120.1 0.02 1 89 . 71 LYS H H 7.91 0.02 1 90 . 71 LYS N N 117 0.02 1 91 . 72 MET H H 7.65 0.02 1 92 . 72 MET N N 116.2 0.02 1 93 . 73 VAL H H 8.25 0.02 1 94 . 73 VAL N N 107.7 0.02 1 95 . 74 GLU H H 8.71 0.02 1 96 . 74 GLU N N 120.9 0.02 1 97 . 75 ASN H H 7.35 0.02 1 98 . 75 ASN N N 113.3 0.02 1 99 . 76 ALA H H 6.67 0.02 1 100 . 76 ALA N N 121.1 0.02 1 101 . 77 LYS H H 10.09 0.02 1 102 . 77 LYS N N 125.5 0.02 1 103 . 78 LYS H H 8.85 0.02 1 104 . 78 LYS N N 121.1 0.02 1 105 . 79 ILE H H 8.92 0.02 1 106 . 79 ILE N N 128.8 0.02 1 107 . 80 GLU H H 8.78 0.02 1 108 . 80 GLU N N 123.2 0.02 1 109 . 81 VAL H H 9.49 0.02 1 110 . 81 VAL N N 117.1 0.02 1 111 . 82 GLU H H 8.82 0.02 1 112 . 82 GLU N N 126.8 0.02 1 113 . 83 PHE H H 8.75 0.02 1 114 . 83 PHE N N 126.4 0.02 1 115 . 84 ASN H H 9.23 0.02 1 116 . 84 ASN N N 122.9 0.02 1 117 . 85 LYS H H 10.28 0.02 1 118 . 85 LYS N N 119.1 0.02 1 119 . 86 GLY H H 8.64 0.02 1 120 . 86 GLY N N 110.8 0.02 1 121 . 87 GLN H H 8.75 0.02 1 122 . 87 GLN N N 124.5 0.02 1 123 . 88 ARG H H 8.58 0.02 1 124 . 88 ARG N N 120.1 0.02 1 125 . 89 THR H H 7.3 0.02 1 126 . 89 THR N N 108 0.02 1 127 . 90 ASP H H 8.68 0.02 1 128 . 90 ASP N N 121.4 0.02 1 129 . 91 LYS H H 7.96 0.02 1 130 . 91 LYS N N 116.1 0.02 1 131 . 92 TYR H H 8.14 0.02 1 132 . 92 TYR N N 120.6 0.02 1 133 . 93 GLY H H 8.21 0.02 1 134 . 93 GLY N N 109.1 0.02 1 135 . 94 ARG H H 8.69 0.02 1 136 . 94 ARG N N 121.6 0.02 1 137 . 95 GLY H H 8.8 0.02 1 138 . 95 GLY N N 108.2 0.02 1 139 . 96 LEU H H 8.2 0.02 1 140 . 96 LEU N N 125.5 0.02 1 141 . 97 ALA H H 7.32 0.02 1 142 . 97 ALA N N 119.8 0.02 1 143 . 98 TYR H H 9.01 0.02 1 144 . 98 TYR N N 122.3 0.02 1 145 . 99 ILE H H 7.81 0.02 1 146 . 99 ILE N N 122 0.02 1 147 . 100 TYR H H 9.5 0.02 1 148 . 100 TYR N N 126.2 0.02 1 149 . 101 ALA H H 9.2 0.02 1 150 . 101 ALA N N 125.8 0.02 1 151 . 102 ASP H H 9.69 0.02 1 152 . 102 ASP N N 127.5 0.02 1 153 . 103 GLY H H 9.37 0.02 1 154 . 103 GLY N N 103 0.02 1 155 . 104 LYS H H 7.85 0.02 1 156 . 104 LYS N N 121.3 0.02 1 157 . 105 MET H H 9.19 0.02 1 158 . 105 MET N N 126.6 0.02 1 159 . 106 VAL H H 10.16 0.02 1 160 . 106 VAL N N 136 0.02 1 161 . 107 ASN H H 9.65 0.02 1 162 . 107 ASN N N 108.3 0.02 1 163 . 108 GLU H H 6.17 0.02 1 164 . 108 GLU N N 112.3 0.02 1 165 . 109 ALA H H 7.81 0.02 1 166 . 109 ALA N N 122.7 0.02 1 167 . 110 LEU H H 7.93 0.02 1 168 . 110 LEU N N 115.4 0.02 1 169 . 111 VAL H H 6.84 0.02 1 170 . 111 VAL N N 116.8 0.02 1 171 . 112 ARG H H 9.13 0.02 1 172 . 112 ARG N N 122.4 0.02 1 173 . 113 GLN H H 7.08 0.02 1 174 . 113 GLN N N 111.9 0.02 1 175 . 114 GLY H H 8 0.02 1 176 . 114 GLY N N 106.8 0.02 1 177 . 115 LEU H H 7.81 0.02 1 178 . 115 LEU N N 114.9 0.02 1 179 . 116 ALA H H 6.88 0.02 1 180 . 116 ALA N N 112.7 0.02 1 181 . 117 LYS H H 7.54 0.02 1 182 . 117 LYS N N 117.4 0.02 1 183 . 118 VAL H H 9.2 0.02 1 184 . 118 VAL N N 123.6 0.02 1 185 . 119 ALA H H 7.96 0.02 1 186 . 119 ALA N N 131.3 0.02 1 187 . 120 TYR H H 7.81 0.02 1 188 . 120 TYR N N 110 0.02 1 189 . 121 VAL H H 7.8 0.02 1 190 . 121 VAL N N 119.2 0.02 1 191 . 122 TYR H H 9.06 0.02 1 192 . 122 TYR N N 130.6 0.02 1 193 . 123 LYS H H 8.71 0.02 1 194 . 123 LYS N N 125.2 0.02 1 195 . 125 ASN H H 8.67 0.02 1 196 . 125 ASN N N 128.5 0.02 1 197 . 126 ASN H H 8.14 0.02 1 198 . 126 ASN N N 117.9 0.02 1 199 . 127 THR H H 10.66 0.02 1 200 . 127 THR N N 124.2 0.02 1 201 . 128 HIS H H 6.83 0.02 1 202 . 128 HIS N N 113.1 0.02 1 203 . 129 GLU H H 7.55 0.02 1 204 . 129 GLU N N 120.3 0.02 1 205 . 130 GLN H H 8.96 0.02 1 206 . 130 GLN N N 117.4 0.02 1 207 . 131 HIS H H 8.15 0.02 1 208 . 131 HIS N N 119.9 0.02 1 209 . 132 LEU H H 8.1 0.02 1 210 . 132 LEU N N 118.2 0.02 1 211 . 133 ARG H H 8.92 0.02 1 212 . 133 ARG N N 118.4 0.02 1 213 . 134 LYS H H 7.99 0.02 1 214 . 134 LYS N N 122.5 0.02 1 215 . 135 SER H H 7.62 0.02 1 216 . 135 SER N N 118 0.02 1 217 . 136 GLU H H 8.46 0.02 1 218 . 136 GLU N N 125 0.02 1 219 . 137 ALA H H 7.93 0.02 1 220 . 137 ALA N N 119.4 0.02 1 221 . 138 GLN H H 7.45 0.02 1 222 . 138 GLN N N 118.3 0.02 1 223 . 139 ALA H H 7.86 0.02 1 224 . 139 ALA N N 123 0.02 1 225 . 140 LYS H H 8.12 0.02 1 226 . 140 LYS N N 117.1 0.02 1 227 . 141 LYS H H 7.79 0.02 1 228 . 141 LYS N N 122.3 0.02 1 229 . 142 GLU H H 7.61 0.02 1 230 . 142 GLU N N 116.4 0.02 1 231 . 143 LYS H H 7.79 0.02 1 232 . 143 LYS N N 116.6 0.02 1 233 . 144 LEU H H 7.58 0.02 1 234 . 144 LEU N N 117 0.02 1 235 . 145 ASN H H 8.99 0.02 1 236 . 145 ASN N N 118.8 0.02 1 237 . 146 ILE H H 8.3 0.02 1 238 . 146 ILE N N 123.8 0.02 1 239 . 147 TRP H H 7.8 0.02 1 240 . 147 TRP N N 119.7 0.02 1 241 . 148 SER H H 8.05 0.02 1 242 . 148 SER N N 116.1 0.02 1 243 . 149 GLU H H 7.9 0.02 1 244 . 149 GLU N N 121.1 0.02 1 245 . 150 ASN H H 8.31 0.02 1 246 . 150 ASN N N 121.2 0.02 1 247 . 151 ASP H H 8.35 0.02 1 248 . 151 ASP N N 119.3 0.02 1 249 . 152 ALA H H 8.19 0.02 1 250 . 152 ALA N N 124 0.02 1 251 . 153 ASP H H 8.28 0.02 1 252 . 153 ASP N N 118.9 0.02 1 253 . 154 SER H H 8.17 0.02 1 254 . 154 SER N N 116.1 0.02 1 255 . 155 GLY H H 8.42 0.02 1 256 . 155 GLY N N 111 0.02 1 257 . 156 GLN H H 7.79 0.02 1 258 . 156 GLN N N 124.5 0.02 1 stop_ save_