data_16585 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of SNase140 ; _BMRB_accession_number 16585 _BMRB_flat_file_name bmr16585.str _Entry_type original _Submission_date 2009-10-26 _Accession_date 2009-10-26 _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 Wang Min . . 2 Feng Yingang . . 3 Yao Hongwei . . 4 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 811 "13C chemical shifts" 579 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2010-05-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Importance of the C-terminal loop l137-s141 for the folding and folding stability of staphylococcal nuclease' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20415411 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Min . . 2 Feng Yingang . . 3 Yao Hongwei . . 4 Wang Jinfeng . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4318 _Page_last 4326 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SNase140 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SNase140 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SNase140 _Molecular_mass 15914.683 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT HEQLLRKSEAQAKKEKLNIW ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 SER 4 THR 5 LYS 6 LYS 7 LEU 8 HIS 9 LYS 10 GLU 11 PRO 12 ALA 13 THR 14 LEU 15 ILE 16 LYS 17 ALA 18 ILE 19 ASP 20 GLY 21 ASP 22 THR 23 VAL 24 LYS 25 LEU 26 MET 27 TYR 28 LYS 29 GLY 30 GLN 31 PRO 32 MET 33 THR 34 PHE 35 ARG 36 LEU 37 LEU 38 LEU 39 VAL 40 ASP 41 THR 42 PRO 43 GLU 44 THR 45 LYS 46 HIS 47 PRO 48 LYS 49 LYS 50 GLY 51 VAL 52 GLU 53 LYS 54 TYR 55 GLY 56 PRO 57 GLU 58 ALA 59 SER 60 ALA 61 PHE 62 THR 63 LYS 64 LYS 65 MET 66 VAL 67 GLU 68 ASN 69 ALA 70 LYS 71 LYS 72 ILE 73 GLU 74 VAL 75 GLU 76 PHE 77 ASP 78 LYS 79 GLY 80 GLN 81 ARG 82 THR 83 ASP 84 LYS 85 TYR 86 GLY 87 ARG 88 GLY 89 LEU 90 ALA 91 TYR 92 ILE 93 TYR 94 ALA 95 ASP 96 GLY 97 LYS 98 MET 99 VAL 100 ASN 101 GLU 102 ALA 103 LEU 104 VAL 105 ARG 106 GLN 107 GLY 108 LEU 109 ALA 110 LYS 111 VAL 112 ALA 113 TYR 114 VAL 115 TYR 116 LYS 117 PRO 118 ASN 119 ASN 120 THR 121 HIS 122 GLU 123 GLN 124 LEU 125 LEU 126 ARG 127 LYS 128 SER 129 GLU 130 ALA 131 GLN 132 ALA 133 LYS 134 LYS 135 GLU 136 LYS 137 LEU 138 ASN 139 ILE 140 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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" 100.00 156 98.57 99.29 2.50e-94 BMRB 1581 "micrococcal nuclease" 96.43 156 98.52 99.26 7.73e-91 BMRB 1582 "micrococcal nuclease" 96.43 156 97.78 99.26 2.87e-90 BMRB 1704 "micrococcal nuclease" 100.00 143 100.00 100.00 2.82e-96 BMRB 17718 Staphylococcal_nuclease 100.00 149 100.00 100.00 2.62e-96 BMRB 18013 SNase_PHS 100.00 149 98.57 99.29 2.21e-94 BMRB 1874 "micrococcal nuclease" 100.00 143 100.00 100.00 2.82e-96 BMRB 1875 "micrococcal nuclease" 100.00 143 100.00 100.00 2.82e-96 BMRB 1876 "micrococcal nuclease" 100.00 143 100.00 100.00 2.82e-96 BMRB 1877 "micrococcal nuclease" 100.00 143 100.00 100.00 2.82e-96 BMRB 1878 "micrococcal nuclease" 100.00 143 100.00 100.00 2.82e-96 BMRB 18788 staph_nuc_E43S 100.00 149 99.29 99.29 1.31e-95 BMRB 188 "micrococcal nuclease" 100.00 156 98.57 99.29 2.50e-94 BMRB 189 "micrococcal nuclease" 100.00 156 98.57 99.29 2.50e-94 BMRB 2784 "micrococcal nuclease" 100.00 156 98.57 99.29 2.50e-94 BMRB 2785 "micrococcal nuclease" 100.00 156 98.57 99.29 2.50e-94 BMRB 4010 SNOB 73.57 103 98.06 99.03 4.10e-65 BMRB 4052 "staphylococcal nuclease" 100.00 149 100.00 100.00 2.62e-96 BMRB 4053 "staphylococcal nuclease" 100.00 149 100.00 100.00 2.62e-96 PDB 1A2T "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" 100.00 149 98.57 98.57 2.28e-94 PDB 1A2U "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" 100.00 149 98.57 98.57 2.28e-94 PDB 1A3T "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" 100.00 149 98.57 98.57 2.28e-94 PDB 1A3U "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" 100.00 149 98.57 98.57 2.28e-94 PDB 1A3V "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" 100.00 149 98.57 98.57 2.28e-94 PDB 1AEX "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" 100.00 149 98.57 98.57 2.28e-94 PDB 1ENA "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 95.71 135 98.51 99.25 2.78e-90 PDB 1ENC "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 100.00 149 98.57 99.29 1.96e-94 PDB 1EY0 "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" 100.00 149 99.29 99.29 3.57e-95 PDB 1EY4 "Structure Of S. Nuclease Stabilizing Mutant S59a" 100.00 149 98.57 99.29 1.32e-94 PDB 1EY5 "Structure Of S. Nuclease Stabilizing Mutant T33v" 100.00 149 98.57 98.57 1.80e-94 PDB 1EY6 "Structure Of S. Nuclease Stabilizing Mutant T41i" 100.00 149 98.57 98.57 2.58e-94 PDB 1EY7 "Structure Of S. Nuclease Stabilizing Mutant S128a" 100.00 149 98.57 99.29 1.32e-94 PDB 1EY8 "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" 100.00 149 98.57 99.29 2.21e-94 PDB 1EY9 "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" 100.00 149 97.86 98.57 1.60e-93 PDB 1EYA "Structure Of S. Nuclease Stabilizing Quintuple Mutant T33vT41IP117GH124LS128A" 100.00 149 97.14 97.86 7.69e-93 PDB 1EYC "Structure Of S. Nuclease Stabilizing Quintuple Mutant T41iS59AP117GH124LS128A" 100.00 149 97.14 98.57 5.30e-93 PDB 1EYD "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" 100.00 149 99.29 99.29 3.57e-95 PDB 1EZ8 "Structure Of S. Nuclease Stabilizing Mutant T33v" 100.00 149 98.57 98.57 1.80e-94 PDB 1F2M "Simplification Of A Protein Loop In Staphylococcal Nuclease" 100.00 149 97.86 97.86 7.43e-94 PDB 1F2Y "Simplification Of A Protein Loop In Staphylococcal Nuclease" 100.00 149 97.86 97.86 2.88e-93 PDB 1F2Z "Simplification Of A Protein Loop In Staphylococcal Nuclease" 100.00 149 97.86 97.86 2.88e-93 PDB 1JOK "Averaged Structure For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" 100.00 149 100.00 100.00 2.62e-96 PDB 1JOO "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" 100.00 149 100.00 100.00 2.62e-96 PDB 1JOQ "Ensemble Structures For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" 100.00 149 100.00 100.00 2.62e-96 PDB 1JOR "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" 100.00 149 100.00 100.00 2.62e-96 PDB 1KAA "Stress And Strain In Staphylococcal Nuclease" 96.43 136 98.52 98.52 6.44e-91 PDB 1KAB "Stress And Strain In Staphylococcal Nuclease" 96.43 136 98.52 98.52 9.65e-91 PDB 1KDA "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 100.00 149 98.57 98.57 2.07e-94 PDB 1KDB "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 100.00 149 98.57 99.29 1.17e-94 PDB 1KDC "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 100.00 149 98.57 98.57 1.59e-94 PDB 1NSN "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" 100.00 149 99.29 99.29 3.57e-95 PDB 1NUC "Staphylococcal Nuclease, V23c Variant" 100.00 149 98.57 98.57 1.03e-94 PDB 1RKN "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" 78.57 110 99.09 99.09 1.11e-70 PDB 1SNC "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" 100.00 149 99.29 99.29 3.57e-95 PDB 1SNM "Active Site Mutant Glu-43 (right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" 100.00 149 98.57 99.29 1.16e-94 PDB 1SNO "Protein Stability In Staphylococcal Nuclease" 100.00 149 100.00 100.00 2.62e-96 PDB 1SNP "Protein Stability In Staphylococcal Nuclease" 100.00 149 99.29 99.29 5.89e-95 PDB 1SNQ "Protein Stability In Staphylococcal Nuclease" 100.00 149 98.57 98.57 1.15e-93 PDB 1STA "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" 101.43 151 97.89 97.89 4.41e-93 PDB 1STB "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" 100.71 150 98.58 98.58 2.17e-93 PDB 1STG "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" 100.00 149 99.29 99.29 3.57e-95 PDB 1STH "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" 100.00 149 99.29 99.29 3.57e-95 PDB 1STN "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" 100.00 149 99.29 99.29 3.57e-95 PDB 1STY "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" 100.71 150 98.58 98.58 2.58e-93 PDB 1SYC "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 100.00 149 98.57 98.57 7.43e-94 PDB 1SYD "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 100.00 149 98.57 98.57 7.43e-94 PDB 1SYE "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 100.00 149 98.57 98.57 4.03e-94 PDB 1SYF "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 100.00 149 98.57 98.57 4.03e-94 PDB 1SYG "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 100.00 149 98.57 98.57 3.69e-94 PDB 1U9R "Crystal Structure Of Staphylococcal Nuclease Mutant V66eP117GH124LS128A AT ROOM TEMPERATURE" 100.00 149 97.86 98.57 2.44e-93 PDB 2ENB "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 95.71 135 98.51 99.25 2.78e-90 PDB 2EXZ "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" 100.00 149 98.57 98.57 1.52e-94 PDB 2EY1 "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" 100.00 149 98.57 98.57 1.80e-94 PDB 2EY2 "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" 100.00 149 98.57 98.57 1.52e-94 PDB 2EY5 "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" 100.00 149 98.57 99.29 7.41e-95 PDB 2EY6 "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" 100.00 149 98.57 98.57 1.80e-94 PDB 2EYF "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" 100.00 149 98.57 98.57 1.80e-94 PDB 2EYH "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" 100.00 149 98.57 99.29 7.41e-95 PDB 2EYJ "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" 100.00 149 98.57 98.57 1.80e-94 PDB 2EYL "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" 100.00 149 98.57 99.29 7.41e-95 PDB 2EYM "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" 100.00 149 98.57 98.57 1.52e-94 PDB 2EYO "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" 100.00 149 98.57 99.29 7.41e-95 PDB 2EYP "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" 100.00 149 98.57 98.57 1.80e-94 PDB 2F0D "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" 100.00 149 98.57 99.29 6.16e-95 PDB 2F0E "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" 100.00 149 98.57 99.29 1.16e-94 PDB 2F0F "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" 100.00 149 98.57 99.29 7.92e-95 PDB 2F0G "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" 100.00 149 98.57 99.29 5.52e-95 PDB 2F0H "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" 100.00 149 98.57 99.29 1.16e-94 PDB 2F0I "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" 100.00 149 98.57 99.29 9.53e-95 PDB 2F0J "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" 100.00 149 98.57 99.29 6.16e-95 PDB 2F0K "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25I" 100.00 149 97.86 99.29 1.28e-94 PDB 2F0L "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72L" 100.00 149 97.86 99.29 3.35e-94 PDB 2F0M "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72V" 100.00 149 97.86 99.29 2.03e-94 PDB 2F0N "Crystal Structure Of Staphylococcal Nuclease Mutant L25iI72L" 100.00 149 97.86 99.29 2.23e-94 PDB 2F0O "Crystal Structure Of Staphylococcal Nuclease Mutant V66iI72V" 100.00 149 97.86 99.29 9.85e-95 PDB 2F0P "Crystal Structure Of Staphylococcal Nuclease Mutant V66iV99I" 100.00 149 97.86 99.29 8.73e-95 PDB 2F0Q "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92L" 100.00 149 97.86 99.29 3.35e-94 PDB 2F0S "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92V" 100.00 149 97.86 99.29 2.03e-94 PDB 2F0T "Crystal Structure Of Staphylococcal Nuclease Mutant V66lV99I" 100.00 149 97.86 99.29 2.07e-94 PDB 2F0U "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25II72V" 100.00 149 97.14 99.29 2.21e-94 PDB 2F0V "Crystal Structure Of Staphylococcal Nuclease Mutant V23lV66LI72L" 100.00 149 97.14 99.29 1.07e-93 PDB 2F3V "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" 78.57 110 99.09 99.09 8.02e-71 PDB 2F3W "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" 78.57 110 100.00 100.00 2.92e-72 PDB 2KHS "Solution Structure Of Snase121:snase(111-143) Complex" 86.43 121 100.00 100.00 1.14e-81 PDB 2KQ3 "Solution Structure Of Snase140" 100.00 140 100.00 100.00 3.46e-96 PDB 2LKV "Staphylococcal Nuclease Phs Variant" 100.00 149 98.57 99.29 2.21e-94 PDB 2M00 "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" 100.00 149 99.29 99.29 1.31e-95 PDB 2NUC "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" 100.00 149 98.57 98.57 2.28e-94 PDB 2OXP "Crystal Structure Of Staphylococcal Nuclease Mutant V66dP117GH124LS128A" 100.00 149 97.86 98.57 2.72e-93 PDB 2PW5 "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT ROOM TEMPERATURE" 100.00 149 97.86 98.57 1.72e-93 PDB 2PW7 "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT 100K" 100.00 149 97.86 98.57 1.72e-93 PDB 2PYK "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT ROOM TEMPERATURE" 100.00 149 97.86 98.57 1.80e-93 PDB 2PZT "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT 100 K" 100.00 149 97.86 98.57 1.80e-93 PDB 2PZU "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT CRYOGENIC TEMPERATURE" 100.00 149 97.86 98.57 2.05e-93 PDB 2PZW "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT ROOM TEMPERATURE" 100.00 149 97.86 98.57 2.05e-93 PDB 2RKS "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" 100.00 149 97.86 98.57 2.69e-93 PDB 2SNM "In A Staphylococcal Nuclease Mutant The Side-chain Of A Lysine Replacing Valine 66 Is Fully Buried In The Hydrophobic Core" 100.00 149 98.57 98.57 4.64e-94 PDB 2SNS "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" 100.00 149 98.57 99.29 1.70e-94 PDB 2SOB "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" 73.57 103 98.06 99.03 4.10e-65 PDB 3D6C "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" 100.00 149 97.86 98.57 2.78e-93 PDB 3DMU "Crystal Structure Of Staphylococcal Nuclease Variant Phs T62k At Cryogenic Temperature" 100.00 149 97.86 98.57 1.86e-93 PDB 3NUC "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" 100.00 149 98.57 98.57 2.28e-94 PDB 4G57 "Staphylococcal Nuclease Double Mutant I72l, I92l" 95.71 135 97.76 99.25 3.74e-90 PDB 4H7B "Crystal Structure Of Staphylococcal Nuclease Mutant I72vV99L" 100.00 149 97.86 99.29 2.03e-94 PDB 4ID6 "Crystal Structure Of Staphylococcal Nuclease Mutant V23i/i72l" 100.00 149 97.86 99.29 1.52e-94 PDB 4K14 "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" 96.43 136 97.78 99.26 7.19e-91 PDB 4K5W "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l25f/t62f At Cryogenic Temperature" 100.00 149 97.14 97.86 4.36e-93 PDB 4K5X "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l36f At Cryogenic Temperature" 100.00 149 97.86 98.57 3.77e-94 PDB 4K6D "Crystal Structure Of Staphylococcal Nuclease Variant V23m/t62f At Cryogenic Temperature" 100.00 149 97.86 98.57 1.48e-93 PDB 4K8I "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" 95.71 135 97.76 99.25 2.94e-90 PDB 4K8J "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" 95.71 135 97.76 99.25 3.10e-90 PDB 4QB4 "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/l25v/v66l" 96.43 136 97.04 99.26 4.26e-90 PDB 4QF4 "Crystal Structure Of Staphylococcal Nuclease Variant V23m At Cryogenic Temperature" 100.00 149 97.14 97.86 1.71e-92 PDB 4WOR "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" 100.00 149 99.29 99.29 3.57e-95 PDB 5NUC "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" 100.00 149 98.57 98.57 2.28e-94 DBJ BAB41979 "staphylococcal nuclease [Staphylococcus aureus subsp. aureus N315]" 100.00 228 99.29 99.29 2.75e-96 DBJ BAB56977 "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu50]" 100.00 228 99.29 99.29 2.75e-96 DBJ BAB94634 "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" 100.00 228 100.00 100.00 7.35e-97 DBJ BAF67032 "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" 100.00 228 100.00 100.00 8.29e-97 DBJ BAF77694 "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu3]" 100.00 228 99.29 99.29 2.75e-96 EMBL CAA24594 "nuclease [Staphylococcus aureus]" 100.00 231 99.29 99.29 1.10e-95 EMBL CAG39855 "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" 100.00 228 100.00 100.00 4.96e-97 EMBL CAG42530 "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" 100.00 228 100.00 100.00 7.35e-97 EMBL CAI80436 "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" 100.00 228 99.29 100.00 3.69e-96 EMBL CAQ49298 "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" 100.00 228 100.00 100.00 4.96e-97 GB AAC14660 "deltaSP-Nuc [Cloning vector pFUN]" 100.00 155 99.29 99.29 4.13e-95 GB AAW36415 "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" 100.00 228 100.00 100.00 8.29e-97 GB ABD22328 "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" 100.00 228 100.00 100.00 8.29e-97 GB ABD29945 "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" 100.00 228 100.00 100.00 8.29e-97 GB ABE02272 "nuclease [Staphylococcus aureus]" 100.00 227 99.29 99.29 4.54e-96 PRF 1109959A nuclease,staphylococcal 100.00 242 99.29 99.29 1.97e-95 PRF 710414A nuclease 100.00 149 99.29 99.29 3.57e-95 REF WP_000141556 "thermonuclease [Staphylococcus aureus]" 100.00 228 100.00 100.00 6.04e-97 REF WP_000141557 "thermonuclease [Staphylococcus aureus]" 100.00 228 99.29 99.29 2.75e-96 REF WP_001548082 "thermonuclease [Staphylococcus aureus]" 100.00 228 100.00 100.00 8.29e-97 REF WP_001566557 "thermonuclease [Staphylococcus aureus]" 100.00 228 100.00 100.00 1.03e-96 REF WP_001574556 "thermonuclease [Staphylococcus aureus]" 100.00 228 100.00 100.00 4.96e-97 SP P00644 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" 100.00 231 99.29 99.29 1.10e-95 SP Q5HHM4 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 100.00 228 100.00 100.00 8.29e-97 SP Q6GB41 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 100.00 228 100.00 100.00 7.35e-97 SP Q6GIK1 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 100.00 228 100.00 100.00 4.96e-97 SP Q7A6P2 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 100.00 228 99.29 99.29 2.75e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Staphylococcus aureus' 1280 Bacteria . Staphylococcus aureus 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 $entity 'recombinant technology' . Escherichia coli . pET-3d 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 _Isotopic_labeling $entity 50 mM [U-2H] 'potassium chloride' 250 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DSS 0.2 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 5.0 . pH pressure 1.0 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SNase140 _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 1 ALA HA H 4.24 0.02 1 2 1 1 ALA HB H 1.59 0.02 1 3 1 1 ALA CA C 51.85 0.3 1 4 1 1 ALA CB C 19.42 0.3 1 5 2 2 THR H H 8.63 0.02 1 6 2 2 THR HA H 4.45 0.02 1 7 2 2 THR HB H 4.24 0.02 1 8 2 2 THR HG2 H 1.26 0.02 1 9 2 2 THR C C 174.89 0.3 1 10 2 2 THR CA C 62.04 0.3 1 11 2 2 THR CB C 69.80 0.3 1 12 2 2 THR CG2 C 21.71 0.3 1 13 2 2 THR N N 115.13 0.3 1 14 3 3 SER H H 8.54 0.02 1 15 3 3 SER HA H 4.59 0.02 1 16 3 3 SER HB2 H 3.90 0.02 2 17 3 3 SER HB3 H 3.93 0.02 2 18 3 3 SER C C 174.83 0.3 1 19 3 3 SER CA C 58.22 0.3 1 20 3 3 SER CB C 64.06 0.3 1 21 3 3 SER N N 118.94 0.3 1 22 4 4 THR H H 8.32 0.02 1 23 4 4 THR HA H 4.39 0.02 1 24 4 4 THR HB H 4.27 0.02 1 25 4 4 THR HG2 H 1.23 0.02 1 26 4 4 THR CA C 61.94 0.3 1 27 4 4 THR CB C 69.77 0.3 1 28 4 4 THR CG2 C 21.92 0.3 1 29 4 4 THR N N 116.94 0.3 1 30 5 5 LYS H H 8.35 0.02 1 31 5 5 LYS HA H 4.37 0.02 1 32 5 5 LYS HB2 H 1.80 0.02 1 33 5 5 LYS HB3 H 1.80 0.02 1 34 5 5 LYS HE2 H 3.03 0.02 1 35 5 5 LYS HE3 H 3.03 0.02 1 36 5 5 LYS HG2 H 1.50 0.02 1 37 5 5 LYS HG3 H 1.50 0.02 1 38 5 5 LYS C C 176.21 0.3 1 39 5 5 LYS CA C 56.42 0.3 1 40 5 5 LYS CB C 33.15 0.3 1 41 5 5 LYS CD C 29.39 0.3 1 42 5 5 LYS CE C 42.27 0.3 1 43 5 5 LYS CG C 25.14 0.3 1 44 5 5 LYS N N 124.13 0.3 1 45 6 6 LYS H H 8.24 0.02 1 46 6 6 LYS HA H 4.41 0.02 1 47 6 6 LYS HB2 H 1.89 0.02 2 48 6 6 LYS HB3 H 1.75 0.02 2 49 6 6 LYS HE2 H 3.10 0.02 1 50 6 6 LYS HE3 H 3.10 0.02 1 51 6 6 LYS HG2 H 1.48 0.02 1 52 6 6 LYS HG3 H 1.48 0.02 1 53 6 6 LYS C C 176.52 0.3 1 54 6 6 LYS CA C 55.95 0.3 1 55 6 6 LYS CB C 33.87 0.3 1 56 6 6 LYS CD C 28.99 0.3 1 57 6 6 LYS CE C 42.10 0.3 1 58 6 6 LYS CG C 24.58 0.3 1 59 6 6 LYS N N 122.43 0.3 1 60 7 7 LEU H H 8.41 0.02 1 61 7 7 LEU HA H 4.54 0.02 1 62 7 7 LEU HB2 H 1.73 0.02 2 63 7 7 LEU HB3 H 1.77 0.02 2 64 7 7 LEU HD1 H 0.96 0.02 1 65 7 7 LEU HD2 H 0.96 0.02 1 66 7 7 LEU HG H 1.82 0.02 1 67 7 7 LEU C C 176.83 0.3 1 68 7 7 LEU CA C 54.88 0.3 1 69 7 7 LEU CB C 41.46 0.3 1 70 7 7 LEU CD1 C 21.68 0.3 2 71 7 7 LEU CD2 C 24.93 0.3 2 72 7 7 LEU CG C 27.71 0.3 1 73 7 7 LEU N N 122.21 0.3 1 74 8 8 HIS H H 8.91 0.02 1 75 8 8 HIS HA H 5.04 0.02 1 76 8 8 HIS HB2 H 3.32 0.02 2 77 8 8 HIS HB3 H 3.28 0.02 2 78 8 8 HIS HD2 H 6.85 0.02 1 79 8 8 HIS HE1 H 8.51 0.02 1 80 8 8 HIS C C 173.28 0.3 1 81 8 8 HIS CA C 54.76 0.3 1 82 8 8 HIS CB C 30.98 0.3 1 83 8 8 HIS N N 117.74 0.3 1 84 9 9 LYS H H 8.63 0.02 1 85 9 9 LYS HA H 4.76 0.02 1 86 9 9 LYS HB2 H 1.41 0.02 2 87 9 9 LYS HB3 H 1.52 0.02 2 88 9 9 LYS HD2 H 0.99 0.02 2 89 9 9 LYS HD3 H 0.95 0.02 2 90 9 9 LYS HE2 H 1.79 0.02 1 91 9 9 LYS HE3 H 1.79 0.02 1 92 9 9 LYS HG2 H 0.73 0.02 2 93 9 9 LYS HG3 H 1.34 0.02 2 94 9 9 LYS C C 176.45 0.3 1 95 9 9 LYS CA C 56.19 0.3 1 96 9 9 LYS CB C 34.58 0.3 1 97 9 9 LYS CD C 29.12 0.3 1 98 9 9 LYS CE C 40.55 0.3 1 99 9 9 LYS CG C 25.67 0.3 1 100 9 9 LYS N N 124.28 0.3 1 101 10 10 GLU H H 9.43 0.02 1 102 10 10 GLU HA H 5.06 0.02 1 103 10 10 GLU HB2 H 2.14 0.02 2 104 10 10 GLU HB3 H 2.49 0.02 2 105 10 10 GLU HG2 H 2.44 0.02 1 106 10 10 GLU HG3 H 2.44 0.02 1 107 10 10 GLU C C 173.30 0.3 1 108 10 10 GLU CA C 53.36 0.3 1 109 10 10 GLU CB C 33.23 0.3 1 110 10 10 GLU CG C 37.23 0.3 1 111 10 10 GLU N N 123.25 0.3 1 112 11 11 PRO HA H 4.89 0.02 1 113 11 11 PRO HB2 H 2.10 0.02 2 114 11 11 PRO HB3 H 2.43 0.02 2 115 11 11 PRO HD2 H 3.86 0.02 1 116 11 11 PRO HD3 H 3.86 0.02 1 117 11 11 PRO HG2 H 1.32 0.02 1 118 11 11 PRO HG3 H 1.32 0.02 1 119 11 11 PRO C C 174.89 0.3 1 120 11 11 PRO CA C 63.28 0.3 1 121 11 11 PRO CB C 32.75 0.3 1 122 11 11 PRO CD C 50.90 0.3 1 123 11 11 PRO CG C 27.85 0.3 1 124 12 12 ALA H H 8.07 0.02 1 125 12 12 ALA HA H 5.01 0.02 1 126 12 12 ALA HB H 1.34 0.02 1 127 12 12 ALA C C 175.55 0.3 1 128 12 12 ALA CA C 51.57 0.3 1 129 12 12 ALA CB C 24.74 0.3 1 130 12 12 ALA N N 119.86 0.3 1 131 13 13 THR H H 8.10 0.02 1 132 13 13 THR HA H 4.70 0.02 1 133 13 13 THR HB H 4.11 0.02 1 134 13 13 THR HG2 H 1.28 0.02 1 135 13 13 THR C C 174.11 0.3 1 136 13 13 THR CA C 60.61 0.3 1 137 13 13 THR CB C 71.50 0.3 1 138 13 13 THR CG2 C 22.23 0.3 1 139 13 13 THR N N 109.00 0.3 1 140 14 14 LEU H H 9.20 0.02 1 141 14 14 LEU HA H 4.13 0.02 1 142 14 14 LEU HB2 H 1.14 0.02 2 143 14 14 LEU HB3 H 1.93 0.02 2 144 14 14 LEU HD1 H 0.72 0.02 2 145 14 14 LEU HD2 H 0.89 0.02 2 146 14 14 LEU HG H 1.23 0.02 1 147 14 14 LEU C C 176.79 0.3 1 148 14 14 LEU CA C 56.90 0.3 1 149 14 14 LEU CB C 43.01 0.3 1 150 14 14 LEU CD1 C 23.41 0.3 1 151 14 14 LEU CD2 C 23.41 0.3 1 152 14 14 LEU CG C 27.13 0.3 1 153 14 14 LEU N N 125.22 0.3 1 154 15 15 ILE H H 8.49 0.02 1 155 15 15 ILE HA H 4.25 0.02 1 156 15 15 ILE HB H 1.32 0.02 1 157 15 15 ILE HD1 H 0.72 0.02 1 158 15 15 ILE HG12 H 1.31 0.02 1 159 15 15 ILE HG13 H 1.31 0.02 1 160 15 15 ILE HG2 H 0.91 0.02 1 161 15 15 ILE C C 175.93 0.3 1 162 15 15 ILE CA C 64.14 0.3 1 163 15 15 ILE CB C 39.09 0.3 1 164 15 15 ILE CD1 C 14.24 0.3 1 165 15 15 ILE CG1 C 27.25 0.3 1 166 15 15 ILE CG2 C 16.63 0.3 1 167 15 15 ILE N N 125.39 0.3 1 168 16 16 LYS H H 8.10 0.02 1 169 16 16 LYS HA H 4.45 0.02 1 170 16 16 LYS HB2 H 1.82 0.02 2 171 16 16 LYS HB3 H 1.85 0.02 2 172 16 16 LYS HD2 H 1.65 0.02 1 173 16 16 LYS HD3 H 1.65 0.02 1 174 16 16 LYS HE2 H 2.96 0.02 1 175 16 16 LYS HE3 H 2.96 0.02 1 176 16 16 LYS HG2 H 1.31 0.02 1 177 16 16 LYS HG3 H 1.31 0.02 1 178 16 16 LYS C C 174.04 0.3 1 179 16 16 LYS CA C 56.49 0.3 1 180 16 16 LYS CB C 35.63 0.3 1 181 16 16 LYS CD C 29.41 0.3 1 182 16 16 LYS CE C 42.18 0.3 1 183 16 16 LYS CG C 24.29 0.3 1 184 16 16 LYS N N 114.62 0.3 1 185 17 17 ALA H H 9.50 0.02 1 186 17 17 ALA HA H 4.45 0.02 1 187 17 17 ALA HB H 1.42 0.02 1 188 17 17 ALA C C 175.73 0.3 1 189 17 17 ALA CA C 52.51 0.3 1 190 17 17 ALA CB C 18.43 0.3 1 191 17 17 ALA N N 129.63 0.3 1 192 18 18 ILE H H 8.07 0.02 1 193 18 18 ILE HA H 4.11 0.02 1 194 18 18 ILE HB H 1.62 0.02 1 195 18 18 ILE HD1 H 0.80 0.02 1 196 18 18 ILE HG12 H 1.05 0.02 2 197 18 18 ILE HG13 H 1.42 0.02 2 198 18 18 ILE HG2 H 0.81 0.02 1 199 18 18 ILE C C 175.28 0.3 1 200 18 18 ILE CA C 63.43 0.3 1 201 18 18 ILE CB C 38.50 0.3 1 202 18 18 ILE CD1 C 17.16 0.3 1 203 18 18 ILE CG1 C 28.86 0.3 1 204 18 18 ILE CG2 C 19.56 0.3 1 205 18 18 ILE N N 123.75 0.3 1 206 19 19 ASP H H 8.31 0.02 1 207 19 19 ASP HA H 4.66 0.02 1 208 19 19 ASP HB2 H 2.92 0.02 2 209 19 19 ASP HB3 H 3.04 0.02 2 210 19 19 ASP C C 177.03 0.3 1 211 19 19 ASP CA C 53.83 0.3 1 212 19 19 ASP CB C 39.75 0.3 1 213 19 19 ASP N N 119.45 0.3 1 214 20 20 GLY H H 8.63 0.02 1 215 20 20 GLY HA2 H 3.57 0.02 2 216 20 20 GLY HA3 H 3.81 0.02 2 217 20 20 GLY C C 173.31 0.3 1 218 20 20 GLY CA C 47.59 0.3 1 219 20 20 GLY N N 104.18 0.3 1 220 21 21 ASP H H 7.78 0.02 1 221 21 21 ASP HA H 4.92 0.02 1 222 21 21 ASP HB2 H 2.48 0.02 2 223 21 21 ASP HB3 H 3.24 0.02 2 224 21 21 ASP C C 174.73 0.3 1 225 21 21 ASP CA C 51.44 0.3 1 226 21 21 ASP CB C 39.22 0.3 1 227 21 21 ASP N N 110.80 0.3 1 228 22 22 THR H H 7.56 0.02 1 229 22 22 THR HA H 5.67 0.02 1 230 22 22 THR HB H 3.74 0.02 1 231 22 22 THR HG2 H 1.11 0.02 1 232 22 22 THR C C 174.14 0.3 1 233 22 22 THR CA C 61.67 0.3 1 234 22 22 THR CB C 70.31 0.3 1 235 22 22 THR CG2 C 22.53 0.3 1 236 22 22 THR N N 115.10 0.3 1 237 23 23 VAL H H 9.04 0.02 1 238 23 23 VAL HA H 4.62 0.02 1 239 23 23 VAL HB H 1.91 0.02 1 240 23 23 VAL HG1 H 0.81 0.02 2 241 23 23 VAL HG2 H 1.09 0.02 2 242 23 23 VAL C C 172.02 0.3 1 243 23 23 VAL CA C 60.08 0.3 1 244 23 23 VAL CB C 36.30 0.3 1 245 23 23 VAL CG1 C 20.47 0.3 2 246 23 23 VAL CG2 C 22.40 0.3 2 247 23 23 VAL N N 119.30 0.3 1 248 24 24 LYS H H 9.46 0.02 1 249 24 24 LYS HA H 5.42 0.02 1 250 24 24 LYS HB2 H 1.69 0.02 2 251 24 24 LYS HB3 H 2.02 0.02 2 252 24 24 LYS HD2 H 1.39 0.02 2 253 24 24 LYS HD3 H 1.36 0.02 2 254 24 24 LYS HE2 H 2.89 0.02 1 255 24 24 LYS HE3 H 2.89 0.02 1 256 24 24 LYS HG2 H 0.78 0.02 2 257 24 24 LYS HG3 H 1.05 0.02 2 258 24 24 LYS C C 175.24 0.3 1 259 24 24 LYS CA C 55.95 0.3 1 260 24 24 LYS CB C 34.58 0.3 1 261 24 24 LYS CD C 29.79 0.3 1 262 24 24 LYS CE C 41.74 0.3 1 263 24 24 LYS CG C 25.40 0.3 1 264 24 24 LYS N N 127.38 0.3 1 265 25 25 LEU H H 9.45 0.02 1 266 25 25 LEU HA H 5.22 0.02 1 267 25 25 LEU HB2 H 1.43 0.02 2 268 25 25 LEU HB3 H 1.79 0.02 2 269 25 25 LEU HD1 H 0.78 0.02 2 270 25 25 LEU HD2 H 0.00 0.02 2 271 25 25 LEU C C 174.45 0.3 1 272 25 25 LEU CA C 53.03 0.3 1 273 25 25 LEU CB C 45.73 0.3 1 274 25 25 LEU CD1 C 25.02 0.3 2 275 25 25 LEU CD2 C 25.15 0.3 2 276 25 25 LEU CG C 26.73 0.3 1 277 25 25 LEU N N 127.39 0.3 1 278 26 26 MET H H 9.57 0.02 1 279 26 26 MET HA H 4.86 0.02 1 280 26 26 MET HB2 H 1.73 0.02 2 281 26 26 MET HB3 H 2.30 0.02 2 282 26 26 MET HG2 H 2.14 0.02 2 283 26 26 MET HG3 H 2.49 0.02 2 284 26 26 MET C C 175.23 0.3 1 285 26 26 MET CA C 54.64 0.3 1 286 26 26 MET CB C 31.54 0.3 1 287 26 26 MET CG C 32.12 0.3 1 288 26 26 MET N N 122.25 0.3 1 289 27 27 TYR H H 9.08 0.02 1 290 27 27 TYR HA H 5.06 0.02 1 291 27 27 TYR HB2 H 3.01 0.02 2 292 27 27 TYR HB3 H 3.14 0.02 2 293 27 27 TYR HD1 H 7.35 0.02 1 294 27 27 TYR HD2 H 7.35 0.02 1 295 27 27 TYR HE1 H 6.93 0.02 1 296 27 27 TYR HE2 H 6.93 0.02 1 297 27 27 TYR C C 174.00 0.3 1 298 27 27 TYR CA C 56.90 0.3 1 299 27 27 TYR CB C 41.83 0.3 1 300 27 27 TYR N N 129.82 0.3 1 301 28 28 LYS H H 9.34 0.02 1 302 28 28 LYS HA H 3.60 0.02 1 303 28 28 LYS HB2 H 1.74 0.02 2 304 28 28 LYS HB3 H 1.40 0.02 2 305 28 28 LYS HD2 H 1.52 0.02 1 306 28 28 LYS HD3 H 1.52 0.02 1 307 28 28 LYS HE2 H 3.01 0.02 1 308 28 28 LYS HE3 H 3.01 0.02 1 309 28 28 LYS HG2 H 0.45 0.02 2 310 28 28 LYS HG3 H 0.81 0.02 2 311 28 28 LYS C C 177.03 0.3 1 312 28 28 LYS CA C 57.37 0.3 1 313 28 28 LYS CB C 29.95 0.3 1 314 28 28 LYS CD C 29.39 0.3 1 315 28 28 LYS CE C 42.14 0.3 1 316 28 28 LYS CG C 24.87 0.3 1 317 28 28 LYS N N 127.70 0.3 1 318 29 29 GLY H H 8.48 0.02 1 319 29 29 GLY HA2 H 3.55 0.02 2 320 29 29 GLY HA3 H 4.11 0.02 2 321 29 29 GLY C C 173.73 0.3 1 322 29 29 GLY CA C 45.59 0.3 1 323 29 29 GLY N N 102.55 0.3 1 324 30 30 GLN H H 7.81 0.02 1 325 30 30 GLN HA H 5.03 0.02 1 326 30 30 GLN HB2 H 2.04 0.02 2 327 30 30 GLN HB3 H 2.16 0.02 2 328 30 30 GLN HG2 H 2.38 0.02 2 329 30 30 GLN HG3 H 2.40 0.02 2 330 30 30 GLN C C 173.26 0.3 1 331 30 30 GLN CA C 52.41 0.3 1 332 30 30 GLN CB C 31.47 0.3 1 333 30 30 GLN N N 119.29 0.3 1 334 31 31 PRO HA H 4.88 0.02 1 335 31 31 PRO HB2 H 1.91 0.02 2 336 31 31 PRO HB3 H 2.05 0.02 2 337 31 31 PRO C C 174.41 0.3 1 338 31 31 PRO CA C 62.67 0.3 1 339 31 31 PRO CB C 32.14 0.3 1 340 31 31 PRO CD C 50.41 0.3 1 341 31 31 PRO CG C 27.48 0.3 1 342 32 32 MET H H 9.64 0.02 1 343 32 32 MET HA H 4.64 0.02 1 344 32 32 MET HB2 H 2.01 0.02 2 345 32 32 MET HB3 H 2.15 0.02 2 346 32 32 MET HE H 1.65 0.02 1 347 32 32 MET HG2 H 2.41 0.02 2 348 32 32 MET HG3 H 2.85 0.02 2 349 32 32 MET C C 174.38 0.3 1 350 32 32 MET CA C 56.07 0.3 1 351 32 32 MET CB C 37.07 0.3 1 352 32 32 MET CG C 31.91 0.3 1 353 32 32 MET N N 126.13 0.3 1 354 33 33 THR H H 9.03 0.02 1 355 33 33 THR HA H 4.56 0.02 1 356 33 33 THR HB H 3.97 0.02 1 357 33 33 THR HG2 H 1.01 0.02 1 358 33 33 THR C C 173.01 0.3 1 359 33 33 THR CA C 63.90 0.3 1 360 33 33 THR CB C 68.53 0.3 1 361 33 33 THR CG2 C 22.48 0.3 1 362 33 33 THR N N 124.21 0.3 1 363 34 34 PHE H H 9.61 0.02 1 364 34 34 PHE HA H 4.96 0.02 1 365 34 34 PHE HB2 H 2.41 0.02 2 366 34 34 PHE HB3 H 2.84 0.02 2 367 34 34 PHE HD1 H 6.89 0.02 1 368 34 34 PHE HD2 H 6.89 0.02 1 369 34 34 PHE HE1 H 6.05 0.02 1 370 34 34 PHE HE2 H 6.05 0.02 1 371 34 34 PHE HZ H 6.09 0.02 1 372 34 34 PHE C C 173.80 0.3 1 373 34 34 PHE CA C 57.49 0.3 1 374 34 34 PHE CB C 42.41 0.3 1 375 34 34 PHE N N 125.75 0.3 1 376 35 35 ARG H H 9.62 0.02 1 377 35 35 ARG HA H 5.21 0.02 1 378 35 35 ARG HB2 H 1.87 0.02 2 379 35 35 ARG HB3 H 1.88 0.02 2 380 35 35 ARG HD2 H 3.34 0.02 1 381 35 35 ARG HD3 H 3.34 0.02 1 382 35 35 ARG HE H 7.11 0.02 1 383 35 35 ARG HG2 H 1.41 0.02 2 384 35 35 ARG HG3 H 1.43 0.02 2 385 35 35 ARG C C 176.35 0.3 1 386 35 35 ARG CA C 52.39 0.3 1 387 35 35 ARG CB C 32.92 0.3 1 388 35 35 ARG CD C 42.14 0.3 1 389 35 35 ARG CG C 25.04 0.3 1 390 35 35 ARG N N 123.33 0.3 1 391 36 36 LEU H H 8.32 0.02 1 392 36 36 LEU HA H 4.39 0.02 1 393 36 36 LEU HB2 H 1.50 0.02 2 394 36 36 LEU HB3 H 1.63 0.02 2 395 36 36 LEU HD1 H 0.75 0.02 2 396 36 36 LEU HD2 H 0.73 0.02 2 397 36 36 LEU C C 177.17 0.3 1 398 36 36 LEU CA C 55.47 0.3 1 399 36 36 LEU CB C 41.82 0.3 1 400 36 36 LEU CD1 C 24.35 0.3 2 401 36 36 LEU CD2 C 26.55 0.3 2 402 36 36 LEU CG C 28.18 0.3 1 403 36 36 LEU N N 123.00 0.3 1 404 37 37 LEU H H 7.74 0.02 1 405 37 37 LEU HA H 3.97 0.02 1 406 37 37 LEU HB2 H 0.67 0.02 2 407 37 37 LEU HB3 H 0.89 0.02 2 408 37 37 LEU HD1 H 0.53 0.02 2 409 37 37 LEU HD2 H 0.87 0.02 2 410 37 37 LEU HG H 1.54 0.02 1 411 37 37 LEU C C 177.38 0.3 1 412 37 37 LEU CA C 55.96 0.3 1 413 37 37 LEU CB C 44.27 0.3 1 414 37 37 LEU CD1 C 25.15 0.3 1 415 37 37 LEU CD2 C 25.15 0.3 1 416 37 37 LEU CG C 27.58 0.3 1 417 37 37 LEU N N 126.20 0.3 1 418 38 38 LEU H H 8.70 0.02 1 419 38 38 LEU HA H 4.10 0.02 1 420 38 38 LEU HB2 H 1.88 0.02 2 421 38 38 LEU HB3 H 2.25 0.02 2 422 38 38 LEU HD1 H 1.04 0.02 1 423 38 38 LEU HD2 H 1.04 0.02 1 424 38 38 LEU HG H 1.84 0.02 1 425 38 38 LEU C C 175.28 0.3 1 426 38 38 LEU CA C 57.29 0.3 1 427 38 38 LEU CB C 40.15 0.3 1 428 38 38 LEU CD1 C 24.78 0.3 2 429 38 38 LEU CD2 C 27.09 0.3 2 430 38 38 LEU CG C 28.31 0.3 1 431 38 38 LEU N N 113.42 0.3 1 432 39 39 VAL H H 6.97 0.02 1 433 39 39 VAL HA H 5.26 0.02 1 434 39 39 VAL HB H 1.86 0.02 1 435 39 39 VAL HG1 H 0.81 0.02 2 436 39 39 VAL HG2 H 0.99 0.02 2 437 39 39 VAL C C 174.49 0.3 1 438 39 39 VAL CA C 59.01 0.3 1 439 39 39 VAL CB C 35.50 0.3 1 440 39 39 VAL CG1 C 20.03 0.3 2 441 39 39 VAL N N 108.29 0.3 1 442 40 40 ASP H H 8.83 0.02 1 443 40 40 ASP HA H 5.13 0.02 1 444 40 40 ASP HB2 H 2.40 0.02 2 445 40 40 ASP HB3 H 2.48 0.02 2 446 40 40 ASP C C 176.26 0.3 1 447 40 40 ASP CA C 53.46 0.3 1 448 40 40 ASP CB C 43.84 0.3 1 449 40 40 ASP N N 121.91 0.3 1 450 41 41 THR H H 8.06 0.02 1 451 41 41 THR HA H 4.81 0.02 1 452 41 41 THR HB H 4.17 0.02 1 453 41 41 THR HG2 H 1.10 0.02 1 454 41 41 THR C C 175.48 0.3 1 455 41 41 THR CA C 58.77 0.3 1 456 41 41 THR CB C 67.93 0.3 1 457 41 41 THR N N 116.88 0.3 1 458 42 42 PRO HA H 4.43 0.02 1 459 42 42 PRO HB2 H 1.89 0.02 2 460 42 42 PRO HB3 H 1.75 0.02 2 461 42 42 PRO HD2 H 3.86 0.02 1 462 42 42 PRO HD3 H 3.86 0.02 1 463 42 42 PRO HG2 H 2.30 0.02 1 464 42 42 PRO HG3 H 2.30 0.02 1 465 42 42 PRO C C 176.60 0.3 1 466 42 42 PRO CA C 63.31 0.3 1 467 42 42 PRO CB C 32.54 0.3 1 468 42 42 PRO CD C 50.84 0.3 1 469 42 42 PRO CG C 27.81 0.3 1 470 43 43 GLU HA H 4.40 0.02 1 471 43 43 GLU HB2 H 1.99 0.02 2 472 43 43 GLU HB3 H 2.08 0.02 2 473 43 43 GLU HG2 H 2.35 0.02 1 474 43 43 GLU HG3 H 2.35 0.02 1 475 43 43 GLU C C 176.24 0.3 1 476 43 43 GLU CA C 56.36 0.3 1 477 43 43 GLU CB C 31.11 0.3 1 478 43 43 GLU CG C 35.98 0.3 1 479 44 44 THR H H 8.48 0.02 1 480 44 44 THR HA H 4.35 0.02 1 481 44 44 THR HB H 4.33 0.02 1 482 44 44 THR HG2 H 1.15 0.02 1 483 44 44 THR C C 174.63 0.3 1 484 44 44 THR CA C 62.07 0.3 1 485 44 44 THR CB C 69.64 0.3 1 486 44 44 THR CG2 C 21.98 0.3 1 487 44 44 THR N N 114.12 0.3 1 488 45 45 LYS H H 8.29 0.02 1 489 45 45 LYS HA H 4.34 0.02 1 490 45 45 LYS HB2 H 1.82 0.02 2 491 45 45 LYS HB3 H 1.87 0.02 2 492 45 45 LYS HG2 H 1.37 0.02 1 493 45 45 LYS HG3 H 1.37 0.02 1 494 45 45 LYS C C 174.59 0.3 1 495 45 45 LYS CA C 56.99 0.3 1 496 45 45 LYS CB C 33.35 0.3 1 497 45 45 LYS CD C 29.29 0.3 1 498 45 45 LYS CE C 42.28 0.3 1 499 45 45 LYS CG C 25.40 0.3 1 500 45 45 LYS N N 124.08 0.3 1 501 46 46 HIS H H 8.52 0.02 1 502 46 46 HIS HA H 4.91 0.02 1 503 46 46 HIS HB2 H 3.14 0.02 1 504 46 46 HIS HB3 H 3.14 0.02 1 505 46 46 HIS C C 177.00 0.3 1 506 46 46 HIS CA C 56.89 0.3 1 507 46 46 HIS CB C 32.87 0.3 1 508 46 46 HIS N N 119.75 0.3 1 509 47 47 PRO HA H 4.44 0.02 1 510 47 47 PRO HB2 H 1.90 0.02 2 511 47 47 PRO HB3 H 2.29 0.02 2 512 47 47 PRO C C 176.48 0.3 1 513 47 47 PRO CA C 63.28 0.3 1 514 47 47 PRO CB C 32.26 0.3 1 515 47 47 PRO CD C 51.02 0.3 1 516 47 47 PRO CG C 27.85 0.3 1 517 48 48 LYS H H 8.59 0.02 1 518 48 48 LYS HA H 4.29 0.02 1 519 48 48 LYS HB2 H 1.82 0.02 2 520 48 48 LYS HB3 H 1.84 0.02 2 521 48 48 LYS HG2 H 1.46 0.02 1 522 48 48 LYS HG3 H 1.46 0.02 1 523 48 48 LYS C C 176.94 0.3 1 524 48 48 LYS CA C 56.89 0.3 1 525 48 48 LYS CB C 33.03 0.3 1 526 48 48 LYS CD C 29.20 0.3 1 527 48 48 LYS CE C 42.28 0.3 1 528 48 48 LYS CG C 25.40 0.3 1 529 48 48 LYS N N 120.72 0.3 1 530 49 49 LYS H H 8.37 0.02 1 531 49 49 LYS HA H 4.31 0.02 1 532 49 49 LYS HB2 H 1.82 0.02 1 533 49 49 LYS HB3 H 1.82 0.02 1 534 49 49 LYS HG2 H 1.43 0.02 1 535 49 49 LYS HG3 H 1.43 0.02 1 536 49 49 LYS C C 178.38 0.3 1 537 49 49 LYS CA C 56.24 0.3 1 538 49 49 LYS CB C 33.35 0.3 1 539 49 49 LYS CD C 24.59 0.3 1 540 49 49 LYS CE C 41.96 0.3 1 541 49 49 LYS CG C 29.13 0.3 1 542 49 49 LYS N N 120.99 0.3 1 543 50 50 GLY H H 8.41 0.02 1 544 50 50 GLY HA2 H 3.96 0.02 2 545 50 50 GLY HA3 H 4.02 0.02 2 546 50 50 GLY C C 174.00 0.3 1 547 50 50 GLY CA C 45.36 0.3 1 548 50 50 GLY N N 110.69 0.3 1 549 51 51 VAL H H 7.96 0.02 1 550 51 51 VAL HA H 4.18 0.02 1 551 51 51 VAL HB H 2.13 0.02 1 552 51 51 VAL HG1 H 0.94 0.02 2 553 51 51 VAL HG2 H 0.95 0.02 2 554 51 51 VAL C C 176.30 0.3 1 555 51 51 VAL CA C 62.04 0.3 1 556 51 51 VAL CB C 32.57 0.3 1 557 51 51 VAL CG1 C 20.82 0.3 2 558 51 51 VAL N N 119.37 0.3 1 559 52 52 GLU H H 8.64 0.02 1 560 52 52 GLU HA H 4.25 0.02 1 561 52 52 GLU HB2 H 2.04 0.02 1 562 52 52 GLU HB3 H 2.04 0.02 1 563 52 52 GLU HG2 H 2.28 0.02 1 564 52 52 GLU HG3 H 2.28 0.02 1 565 52 52 GLU C C 176.84 0.3 1 566 52 52 GLU CA C 57.08 0.3 1 567 52 52 GLU CB C 29.62 0.3 1 568 52 52 GLU N N 124.94 0.3 1 569 54 54 TYR HA H 4.443 .02 1 570 54 54 TYR C C 176.23 0.3 1 571 54 54 TYR CA C 60.82 0.3 1 572 54 54 TYR CB C 36.36 0.3 1 573 55 55 GLY H H 8.66 0.02 1 574 55 55 GLY HA2 H 3.89 0.02 2 575 55 55 GLY HA3 H 3.97 0.02 2 576 55 55 GLY C C 174.45 0.3 1 577 55 55 GLY CA C 48.13 0.3 1 578 55 55 GLY N N 109.30 0.3 1 579 57 57 GLU HA H 4.21 0.02 1 580 57 57 GLU HB2 H 2.07 0.02 1 581 57 57 GLU HB3 H 2.07 0.02 1 582 57 57 GLU HG2 H 2.40 0.02 1 583 57 57 GLU HG3 H 2.40 0.02 1 584 57 57 GLU C C 179.31 0.3 1 585 57 57 GLU CA C 60.08 0.3 1 586 57 57 GLU CB C 29.12 0.3 1 587 57 57 GLU CG C 36.71 0.3 1 588 58 58 ALA H H 8.90 0.02 1 589 58 58 ALA HA H 4.15 0.02 1 590 58 58 ALA HB H 1.71 0.02 1 591 58 58 ALA C C 178.79 0.3 1 592 58 58 ALA CA C 55.83 0.3 1 593 58 58 ALA CB C 18.31 0.3 1 594 58 58 ALA N N 124.84 0.3 1 595 59 59 SER H H 8.25 0.02 1 596 59 59 SER HA H 3.96 0.02 1 597 59 59 SER HB2 H 3.71 0.02 2 598 59 59 SER HB3 H 3.73 0.02 2 599 59 59 SER C C 177.00 0.3 1 600 59 59 SER CA C 62.04 0.3 1 601 59 59 SER CB C 62.70 0.3 1 602 59 59 SER N N 112.00 0.3 1 603 60 60 ALA H H 8.23 0.02 1 604 60 60 ALA HA H 4.26 0.02 1 605 60 60 ALA HB H 1.53 0.02 1 606 60 60 ALA C C 176.52 0.3 1 607 60 60 ALA CA C 55.12 0.3 1 608 60 60 ALA CB C 18.43 0.3 1 609 60 60 ALA N N 123.68 0.3 1 610 61 61 PHE H H 8.20 0.02 1 611 61 61 PHE HA H 4.06 0.02 1 612 61 61 PHE HB2 H 3.13 0.02 2 613 61 61 PHE HB3 H 3.33 0.02 2 614 61 61 PHE HD1 H 7.11 0.02 1 615 61 61 PHE HD2 H 7.11 0.02 1 616 61 61 PHE HE1 H 7.22 0.02 1 617 61 61 PHE HE2 H 7.22 0.02 1 618 61 61 PHE C C 178.14 0.3 1 619 61 61 PHE CA C 61.75 0.3 1 620 61 61 PHE CB C 40.00 0.3 1 621 61 61 PHE N N 121.84 0.3 1 622 62 62 THR H H 8.67 0.02 1 623 62 62 THR HA H 3.54 0.02 1 624 62 62 THR HB H 4.15 0.02 1 625 62 62 THR HG2 H 1.02 0.02 1 626 62 62 THR C C 175.38 0.3 1 627 62 62 THR CA C 67.72 0.3 1 628 62 62 THR CB C 68.38 0.3 1 629 62 62 THR CG2 C 22.60 0.3 1 630 62 62 THR N N 120.49 0.3 1 631 63 63 LYS H H 7.84 0.02 1 632 63 63 LYS HA H 3.55 0.02 1 633 63 63 LYS HB2 H 1.75 0.02 2 634 63 63 LYS HB3 H 1.80 0.02 2 635 63 63 LYS HD2 H 1.52 0.02 2 636 63 63 LYS HD3 H 1.17 0.02 2 637 63 63 LYS HE2 H 3.10 0.02 1 638 63 63 LYS HE3 H 3.10 0.02 1 639 63 63 LYS HG2 H 1.03 0.02 2 640 63 63 LYS HG3 H 0.82 0.02 2 641 63 63 LYS C C 176.90 0.3 1 642 63 63 LYS CA C 60.36 0.3 1 643 63 63 LYS CB C 33.31 0.3 1 644 63 63 LYS CD C 30.38 0.3 1 645 63 63 LYS CE C 42.22 0.3 1 646 63 63 LYS CG C 24.69 0.3 1 647 63 63 LYS N N 119.99 0.3 1 648 64 64 LYS H H 7.90 0.02 1 649 64 64 LYS HA H 3.94 0.02 1 650 64 64 LYS HB2 H 1.73 0.02 2 651 64 64 LYS HB3 H 1.75 0.02 2 652 64 64 LYS HD2 H 1.07 0.02 1 653 64 64 LYS HD3 H 1.07 0.02 1 654 64 64 LYS HE2 H 3.08 0.02 1 655 64 64 LYS HE3 H 3.08 0.02 1 656 64 64 LYS HG2 H 0.76 0.02 2 657 64 64 LYS HG3 H 0.45 0.02 2 658 64 64 LYS C C 178.76 0.3 1 659 64 64 LYS CA C 59.28 0.3 1 660 64 64 LYS CB C 32.04 0.3 1 661 64 64 LYS CD C 29.07 0.3 1 662 64 64 LYS CE C 41.79 0.3 1 663 64 64 LYS CG C 24.59 0.3 1 664 64 64 LYS N N 117.35 0.3 1 665 65 65 MET H H 7.69 0.02 1 666 65 65 MET HA H 3.89 0.02 1 667 65 65 MET HB2 H 2.12 0.02 2 668 65 65 MET HB3 H 1.80 0.02 2 669 65 65 MET HG2 H 2.45 0.02 1 670 65 65 MET HG3 H 2.45 0.02 1 671 65 65 MET C C 179.31 0.3 1 672 65 65 MET CA C 59.81 0.3 1 673 65 65 MET CB C 32.44 0.3 1 674 65 65 MET CG C 33.07 0.3 1 675 65 65 MET N N 116.23 0.3 1 676 66 66 VAL H H 8.22 0.02 1 677 66 66 VAL HA H 4.15 0.02 1 678 66 66 VAL HB H 2.17 0.02 1 679 66 66 VAL HG1 H 0.90 0.02 2 680 66 66 VAL HG2 H 1.13 0.02 2 681 66 66 VAL C C 177.62 0.3 1 682 66 66 VAL CA C 64.46 0.3 1 683 66 66 VAL CB C 31.38 0.3 1 684 66 66 VAL N N 107.83 0.3 1 685 67 67 GLU H H 8.72 0.02 1 686 67 67 GLU HA H 3.95 0.02 1 687 67 67 GLU HB2 H 2.07 0.02 2 688 67 67 GLU HB3 H 1.87 0.02 2 689 67 67 GLU HG2 H 2.55 0.02 2 690 67 67 GLU HG3 H 2.13 0.02 2 691 67 67 GLU C C 178.07 0.3 1 692 67 67 GLU CA C 59.21 0.3 1 693 67 67 GLU CB C 29.18 0.3 1 694 67 67 GLU CG C 37.69 0.3 1 695 67 67 GLU N N 121.21 0.3 1 696 68 68 ASN H H 7.42 0.02 1 697 68 68 ASN HA H 4.65 0.02 1 698 68 68 ASN HB2 H 2.80 0.02 2 699 68 68 ASN HB3 H 2.82 0.02 2 700 68 68 ASN HD21 H 7.84 0.02 2 701 68 68 ASN HD22 H 7.05 0.02 2 702 68 68 ASN C C 174.66 0.3 1 703 68 68 ASN CA C 53.43 0.3 1 704 68 68 ASN CB C 39.09 0.3 1 705 68 68 ASN N N 113.57 0.3 1 706 68 68 ASN ND2 N 113.81 0.3 1 707 69 69 ALA H H 6.68 0.02 1 708 69 69 ALA HA H 4.50 0.02 1 709 69 69 ALA HB H 1.32 0.02 1 710 69 69 ALA C C 177.92 0.3 1 711 69 69 ALA CA C 51.53 0.3 1 712 69 69 ALA CB C 19.33 0.3 1 713 69 69 ALA N N 121.21 0.3 1 714 70 70 LYS H H 10.13 0.02 1 715 70 70 LYS HA H 4.35 0.02 1 716 70 70 LYS HB2 H 1.93 0.02 2 717 70 70 LYS HB3 H 2.03 0.02 2 718 70 70 LYS HD2 H 1.69 0.02 1 719 70 70 LYS HD3 H 1.69 0.02 1 720 70 70 LYS HE2 H 3.04 0.02 1 721 70 70 LYS HE3 H 3.04 0.02 1 722 70 70 LYS HG2 H 1.58 0.02 1 723 70 70 LYS HG3 H 1.58 0.02 1 724 70 70 LYS C C 177.86 0.3 1 725 70 70 LYS CA C 57.97 0.3 1 726 70 70 LYS CB C 32.32 0.3 1 727 70 70 LYS CD C 28.59 0.3 1 728 70 70 LYS CE C 42.14 0.3 1 729 70 70 LYS CG C 25.14 0.3 1 730 70 70 LYS N N 125.91 0.3 1 731 71 71 LYS H H 8.94 0.02 1 732 71 71 LYS HA H 4.66 0.02 1 733 71 71 LYS HB2 H 1.68 0.02 2 734 71 71 LYS HB3 H 1.86 0.02 2 735 71 71 LYS HD2 H 1.22 0.02 1 736 71 71 LYS HD3 H 1.22 0.02 1 737 71 71 LYS HE2 H 2.95 0.02 1 738 71 71 LYS HE3 H 2.95 0.02 1 739 71 71 LYS HG2 H 1.47 0.02 1 740 71 71 LYS HG3 H 1.47 0.02 1 741 71 71 LYS C C 174.75 0.3 1 742 71 71 LYS CA C 55.47 0.3 1 743 71 71 LYS CB C 35.53 0.3 1 744 71 71 LYS CD C 29.45 0.3 1 745 71 71 LYS CE C 41.99 0.3 1 746 71 71 LYS CG C 25.16 0.3 1 747 71 71 LYS N N 121.52 0.3 1 748 72 72 ILE H H 8.99 0.02 1 749 72 72 ILE HA H 5.26 0.02 1 750 72 72 ILE HB H 1.86 0.02 1 751 72 72 ILE HD1 H 0.66 0.02 1 752 72 72 ILE HG12 H 1.20 0.02 1 753 72 72 ILE HG13 H 1.20 0.02 1 754 72 72 ILE HG2 H 0.87 0.02 1 755 72 72 ILE C C 175.38 0.3 1 756 72 72 ILE CA C 58.56 0.3 1 757 72 72 ILE CB C 38.26 0.3 1 758 72 72 ILE CD1 C 12.95 0.3 1 759 72 72 ILE CG1 C 28.07 0.3 1 760 72 72 ILE CG2 C 17.90 0.3 1 761 72 72 ILE N N 129.03 0.3 1 762 73 73 GLU H H 8.79 0.02 1 763 73 73 GLU HA H 5.26 0.02 1 764 73 73 GLU HB2 H 1.93 0.02 2 765 73 73 GLU HB3 H 1.73 0.02 2 766 73 73 GLU HG2 H 2.79 0.02 1 767 73 73 GLU HG3 H 2.79 0.02 1 768 73 73 GLU C C 175.04 0.3 1 769 73 73 GLU CA C 53.81 0.3 1 770 73 73 GLU CB C 36.48 0.3 1 771 73 73 GLU CG C 37.58 0.3 1 772 73 73 GLU N N 123.20 0.3 1 773 74 74 VAL H H 9.56 0.02 1 774 74 74 VAL HA H 4.57 0.02 1 775 74 74 VAL HB H 1.27 0.02 1 776 74 74 VAL HG1 H -0.14 0.02 2 777 74 74 VAL HG2 H 0.25 0.02 2 778 74 74 VAL C C 174.28 0.3 1 779 74 74 VAL CA C 59.68 0.3 1 780 74 74 VAL CB C 34.57 0.3 1 781 74 74 VAL CG1 C 20.10 0.3 2 782 74 74 VAL CG2 C 21.31 0.3 2 783 74 74 VAL N N 117.43 0.3 1 784 75 75 GLU H H 8.87 0.02 1 785 75 75 GLU HA H 5.13 0.02 1 786 75 75 GLU HB2 H 1.83 0.02 2 787 75 75 GLU HB3 H 2.93 0.02 2 788 75 75 GLU HG2 H 2.21 0.02 1 789 75 75 GLU HG3 H 2.21 0.02 1 790 75 75 GLU C C 175.58 0.3 1 791 75 75 GLU CA C 54.52 0.3 1 792 75 75 GLU CB C 35.88 0.3 1 793 75 75 GLU CG C 37.02 0.3 1 794 75 75 GLU N N 126.92 0.3 1 795 76 76 PHE H H 8.83 0.02 1 796 76 76 PHE HA H 4.75 0.02 1 797 76 76 PHE HB2 H 2.88 0.02 2 798 76 76 PHE HB3 H 3.59 0.02 2 799 76 76 PHE HD1 H 7.69 0.02 1 800 76 76 PHE HD2 H 7.69 0.02 1 801 76 76 PHE HE1 H 7.31 0.02 1 802 76 76 PHE HE2 H 7.31 0.02 1 803 76 76 PHE HZ H 6.72 0.02 1 804 76 76 PHE C C 176.48 0.3 1 805 76 76 PHE CA C 59.75 0.3 1 806 76 76 PHE CB C 39.80 0.3 1 807 76 76 PHE N N 126.76 0.3 1 808 77 77 ASP H H 9.44 0.02 1 809 77 77 ASP HA H 5.31 0.02 1 810 77 77 ASP HB2 H 2.46 0.02 2 811 77 77 ASP HB3 H 3.81 0.02 2 812 77 77 ASP C C 177.65 0.3 1 813 77 77 ASP CA C 51.84 0.3 1 814 77 77 ASP CB C 43.20 0.3 1 815 77 77 ASP N N 123.30 0.3 1 816 78 78 LYS H H 10.43 0.02 1 817 78 78 LYS HA H 4.24 0.02 1 818 78 78 LYS HB2 H 1.89 0.02 2 819 78 78 LYS HB3 H 1.92 0.02 2 820 78 78 LYS HD2 H 1.59 0.02 1 821 78 78 LYS HD3 H 1.59 0.02 1 822 78 78 LYS HE2 H 3.13 0.02 1 823 78 78 LYS HE3 H 3.13 0.02 1 824 78 78 LYS HG2 H 0.75 0.02 2 825 78 78 LYS HG3 H 0.97 0.02 2 826 78 78 LYS C C 177.14 0.3 1 827 78 78 LYS CA C 57.68 0.3 1 828 78 78 LYS CB C 33.77 0.3 1 829 78 78 LYS CD C 29.31 0.3 1 830 78 78 LYS CE C 42.40 0.3 1 831 78 78 LYS CG C 24.95 0.3 1 832 78 78 LYS N N 119.41 0.3 1 833 79 79 GLY H H 8.59 0.02 1 834 79 79 GLY HA2 H 3.30 0.02 2 835 79 79 GLY HA3 H 4.36 0.02 2 836 79 79 GLY C C 173.61 0.3 1 837 79 79 GLY CA C 44.66 0.3 1 838 79 79 GLY N N 111.23 0.3 1 839 80 80 GLN H H 8.65 0.02 1 840 80 80 GLN HA H 4.11 0.02 1 841 80 80 GLN HB2 H 2.05 0.02 2 842 80 80 GLN HB3 H 2.03 0.02 2 843 80 80 GLN HG2 H 2.42 0.02 1 844 80 80 GLN HG3 H 2.42 0.02 1 845 80 80 GLN C C 176.90 0.3 1 846 80 80 GLN CA C 57.14 0.3 1 847 80 80 GLN CB C 29.24 0.3 1 848 80 80 GLN CG C 33.90 0.3 1 849 80 80 GLN N N 125.55 0.3 1 850 81 81 ARG H H 8.67 0.02 1 851 81 81 ARG HA H 4.65 0.02 1 852 81 81 ARG HB2 H 1.70 0.02 2 853 81 81 ARG HB3 H 1.63 0.02 2 854 81 81 ARG HD2 H 2.89 0.02 1 855 81 81 ARG HD3 H 2.89 0.02 1 856 81 81 ARG HE H 7.10 0.02 1 857 81 81 ARG HG2 H 1.37 0.02 1 858 81 81 ARG HG3 H 1.37 0.02 1 859 81 81 ARG C C 176.24 0.3 1 860 81 81 ARG CA C 57.85 0.3 1 861 81 81 ARG CB C 32.44 0.3 1 862 81 81 ARG CD C 43.50 0.3 1 863 81 81 ARG CG C 28.06 0.3 1 864 81 81 ARG N N 122.01 0.3 1 865 82 82 THR H H 7.34 0.02 1 866 82 82 THR HA H 5.58 0.02 1 867 82 82 THR HB H 3.88 0.02 1 868 82 82 THR HG2 H 0.94 0.02 1 869 82 82 THR C C 174.76 0.3 1 870 82 82 THR CA C 58.22 0.3 1 871 82 82 THR CB C 72.70 0.3 1 872 82 82 THR CG2 C 21.50 0.3 1 873 82 82 THR N N 106.88 0.3 1 874 83 83 ASP H H 8.71 0.02 1 875 83 83 ASP HA H 4.70 0.02 1 876 83 83 ASP HB2 H 2.66 0.02 2 877 83 83 ASP HB3 H 3.48 0.02 2 878 83 83 ASP C C 178.93 0.3 1 879 83 83 ASP CA C 52.10 0.3 1 880 83 83 ASP CB C 42.14 0.3 1 881 83 83 ASP N N 121.07 0.3 1 882 84 84 LYS H H 8.30 0.02 1 883 84 84 LYS HA H 4.04 0.02 1 884 84 84 LYS HB2 H 1.51 0.02 2 885 84 84 LYS HB3 H 1.65 0.02 2 886 84 84 LYS HD2 H 1.45 0.02 1 887 84 84 LYS HD3 H 1.45 0.02 1 888 84 84 LYS HE2 H 2.65 0.02 1 889 84 84 LYS HE3 H 2.65 0.02 1 890 84 84 LYS HG2 H 0.44 0.02 2 891 84 84 LYS HG3 H 1.00 0.02 2 892 84 84 LYS C C 176.52 0.3 1 893 84 84 LYS CA C 58.08 0.3 1 894 84 84 LYS CB C 31.38 0.3 1 895 84 84 LYS CD C 29.41 0.3 1 896 84 84 LYS CE C 41.94 0.3 1 897 84 84 LYS CG C 23.32 0.3 1 898 84 84 LYS N N 116.86 0.3 1 899 85 85 TYR H H 7.98 0.02 1 900 85 85 TYR HA H 4.61 0.02 1 901 85 85 TYR HB2 H 2.79 0.02 2 902 85 85 TYR HB3 H 3.38 0.02 2 903 85 85 TYR HD1 H 7.06 0.02 1 904 85 85 TYR HD2 H 7.06 0.02 1 905 85 85 TYR HE1 H 6.83 0.02 1 906 85 85 TYR HE2 H 6.83 0.02 1 907 85 85 TYR C C 176.21 0.3 1 908 85 85 TYR CA C 57.15 0.3 1 909 85 85 TYR CB C 38.16 0.3 1 910 85 85 TYR N N 119.24 0.3 1 911 86 86 GLY H H 8.15 0.02 1 912 86 86 GLY HA2 H 3.62 0.02 2 913 86 86 GLY HA3 H 4.22 0.02 2 914 86 86 GLY C C 176.35 0.3 1 915 86 86 GLY CA C 45.60 0.3 1 916 86 86 GLY N N 108.56 0.3 1 917 87 87 ARG H H 8.52 0.02 1 918 87 87 ARG HA H 4.45 0.02 1 919 87 87 ARG HB2 H 1.68 0.02 2 920 87 87 ARG HB3 H 2.04 0.02 2 921 87 87 ARG HE H 7.25 0.02 1 922 87 87 ARG HG2 H 1.36 0.02 1 923 87 87 ARG HG3 H 1.36 0.02 1 924 87 87 ARG C C 177.07 0.3 1 925 87 87 ARG CA C 55.71 0.3 1 926 87 87 ARG CB C 30.07 0.3 1 927 87 87 ARG CD C 43.50 0.3 1 928 87 87 ARG CG C 27.48 0.3 1 929 87 87 ARG N N 121.61 0.3 1 930 88 88 GLY H H 8.81 0.02 1 931 88 88 GLY HA2 H 2.73 0.02 2 932 88 88 GLY HA3 H 4.46 0.02 2 933 88 88 GLY C C 171.91 0.3 1 934 88 88 GLY CA C 45.06 0.3 1 935 88 88 GLY N N 108.54 0.3 1 936 89 89 LEU H H 8.34 0.02 1 937 89 89 LEU HA H 5.12 0.02 1 938 89 89 LEU HB2 H 1.17 0.02 2 939 89 89 LEU HB3 H 1.78 0.02 2 940 89 89 LEU HD1 H 0.69 0.02 1 941 89 89 LEU HD2 H 0.69 0.02 1 942 89 89 LEU HG H 1.50 0.02 1 943 89 89 LEU C C 174.90 0.3 1 944 89 89 LEU CA C 53.10 0.3 1 945 89 89 LEU CB C 42.53 0.3 1 946 89 89 LEU CD1 C 23.01 0.3 2 947 89 89 LEU CD2 C 22.89 0.3 2 948 89 89 LEU CG C 25.80 0.3 1 949 89 89 LEU N N 125.84 0.3 1 950 90 90 ALA H H 7.57 0.02 1 951 90 90 ALA HA H 4.81 0.02 1 952 90 90 ALA HB H 0.76 0.02 1 953 90 90 ALA C C 177.07 0.3 1 954 90 90 ALA CA C 50.73 0.3 1 955 90 90 ALA CB C 24.02 0.3 1 956 90 90 ALA N N 120.22 0.3 1 957 91 91 TYR H H 9.00 0.02 1 958 91 91 TYR HA H 4.61 0.02 1 959 91 91 TYR HB2 H 2.80 0.02 2 960 91 91 TYR HB3 H 3.45 0.02 2 961 91 91 TYR HD1 H 7.49 0.02 1 962 91 91 TYR HD2 H 7.14 0.02 1 963 91 91 TYR HE1 H 6.72 0.02 1 964 91 91 TYR HE2 H 6.52 0.02 1 965 91 91 TYR C C 174.45 0.3 1 966 91 91 TYR CA C 57.14 0.3 1 967 91 91 TYR CB C 37.67 0.3 1 968 91 91 TYR N N 122.73 0.3 1 969 92 92 ILE H H 7.93 0.02 1 970 92 92 ILE HA H 4.92 0.02 1 971 92 92 ILE HB H 1.47 0.02 1 972 92 92 ILE HD1 H 0.30 0.02 1 973 92 92 ILE HG12 H 1.02 0.02 1 974 92 92 ILE HG13 H 1.02 0.02 1 975 92 92 ILE HG2 H 0.70 0.02 1 976 92 92 ILE C C 173.76 0.3 1 977 92 92 ILE CA C 58.68 0.3 1 978 92 92 ILE CB C 38.97 0.3 1 979 92 92 ILE CD1 C 12.39 0.3 1 980 92 92 ILE CG1 C 27.94 0.3 1 981 92 92 ILE CG2 C 16.92 0.3 1 982 92 92 ILE N N 122.65 0.3 1 983 93 93 TYR H H 9.55 0.02 1 984 93 93 TYR HA H 5.06 0.02 1 985 93 93 TYR HB2 H 2.35 0.02 2 986 93 93 TYR HB3 H 2.82 0.02 2 987 93 93 TYR HD1 H 6.70 0.02 1 988 93 93 TYR HD2 H 6.70 0.02 1 989 93 93 TYR HE1 H 6.60 0.02 1 990 93 93 TYR HE2 H 6.60 0.02 1 991 93 93 TYR C C 173.92 0.3 1 992 93 93 TYR CA C 56.42 0.3 1 993 93 93 TYR CB C 41.58 0.3 1 994 93 93 TYR N N 126.27 0.3 1 995 94 94 ALA H H 9.28 0.02 1 996 94 94 ALA HA H 4.96 0.02 1 997 94 94 ALA HB H 1.14 0.02 1 998 94 94 ALA C C 175.74 0.3 1 999 94 94 ALA CA C 49.89 0.3 1 1000 94 94 ALA CB C 21.04 0.3 1 1001 94 94 ALA N N 125.81 0.3 1 1002 95 95 ASP H H 9.75 0.02 1 1003 95 95 ASP HA H 4.43 0.02 1 1004 95 95 ASP HB2 H 2.73 0.02 2 1005 95 95 ASP HB3 H 2.95 0.02 2 1006 95 95 ASP C C 176.14 0.3 1 1007 95 95 ASP CA C 56.54 0.3 1 1008 95 95 ASP CB C 39.56 0.3 1 1009 95 95 ASP N N 127.77 0.3 1 1010 96 96 GLY H H 9.41 0.02 1 1011 96 96 GLY HA2 H 3.70 0.02 2 1012 96 96 GLY HA3 H 4.22 0.02 2 1013 96 96 GLY C C 173.90 0.3 1 1014 96 96 GLY CA C 45.06 0.3 1 1015 96 96 GLY N N 103.20 0.3 1 1016 97 97 LYS H H 7.87 0.02 1 1017 97 97 LYS HA H 4.66 0.02 1 1018 97 97 LYS HB2 H 1.73 0.02 2 1019 97 97 LYS HB3 H 1.86 0.02 2 1020 97 97 LYS HD2 H 1.72 0.02 1 1021 97 97 LYS HD3 H 1.72 0.02 1 1022 97 97 LYS HE2 H 2.78 0.02 1 1023 97 97 LYS HE3 H 2.78 0.02 1 1024 97 97 LYS HG2 H 1.45 0.02 1 1025 97 97 LYS HG3 H 1.45 0.02 1 1026 97 97 LYS C C 176.02 0.3 1 1027 97 97 LYS CA C 54.41 0.3 1 1028 97 97 LYS CB C 33.27 0.3 1 1029 97 97 LYS CD C 28.64 0.3 1 1030 97 97 LYS CE C 42.10 0.3 1 1031 97 97 LYS CG C 24.69 0.3 1 1032 97 97 LYS N N 121.46 0.3 1 1033 98 98 MET H H 9.33 0.02 1 1034 98 98 MET HA H 3.80 0.02 1 1035 98 98 MET HB2 H 1.94 0.02 2 1036 98 98 MET HB3 H 1.97 0.02 2 1037 98 98 MET HE H 1.40 0.02 1 1038 98 98 MET HG2 H 2.17 0.02 1 1039 98 98 MET HG3 H 2.17 0.02 1 1040 98 98 MET C C 177.63 0.3 1 1041 98 98 MET CA C 56.07 0.3 1 1042 98 98 MET CB C 34.58 0.3 1 1043 98 98 MET CG C 28.32 0.3 1 1044 98 98 MET N N 127.05 0.3 1 1045 99 99 VAL H H 10.20 0.02 1 1046 99 99 VAL HA H 3.71 0.02 1 1047 99 99 VAL HB H 1.83 0.02 1 1048 99 99 VAL HG1 H 0.96 0.02 2 1049 99 99 VAL HG2 H 1.00 0.02 2 1050 99 99 VAL C C 177.24 0.3 1 1051 99 99 VAL CA C 65.96 0.3 1 1052 99 99 VAL CB C 32.54 0.3 1 1053 99 99 VAL CG1 C 21.02 0.3 1 1054 99 99 VAL CG2 C 21.02 0.3 1 1055 99 99 VAL N N 136.07 0.3 1 1056 100 100 ASN H H 9.69 0.02 1 1057 100 100 ASN HA H 4.07 0.02 1 1058 100 100 ASN HB2 H 2.73 0.02 2 1059 100 100 ASN HB3 H 2.91 0.02 2 1060 100 100 ASN HD21 H 6.56 0.02 2 1061 100 100 ASN HD22 H 9.58 0.02 2 1062 100 100 ASN C C 174.18 0.3 1 1063 100 100 ASN CA C 57.02 0.3 1 1064 100 100 ASN CB C 34.97 0.3 1 1065 100 100 ASN N N 108.59 0.3 1 1066 100 100 ASN ND2 N 121.03 0.3 1 1067 101 101 GLU H H 6.12 0.02 1 1068 101 101 GLU HA H 3.66 0.02 1 1069 101 101 GLU HB2 H 1.89 0.02 2 1070 101 101 GLU HB3 H 2.23 0.02 2 1071 101 101 GLU HG2 H 2.13 0.02 1 1072 101 101 GLU HG3 H 2.13 0.02 1 1073 101 101 GLU C C 180.96 0.3 1 1074 101 101 GLU CA C 59.54 0.3 1 1075 101 101 GLU CB C 30.45 0.3 1 1076 101 101 GLU CG C 35.25 0.3 1 1077 101 101 GLU N N 112.78 0.3 1 1078 102 102 ALA H H 7.82 0.02 1 1079 102 102 ALA HA H 4.08 0.02 1 1080 102 102 ALA HB H 1.70 0.02 1 1081 102 102 ALA C C 179.65 0.3 1 1082 102 102 ALA CA C 55.47 0.3 1 1083 102 102 ALA CB C 18.31 0.3 1 1084 102 102 ALA N N 122.63 0.3 1 1085 103 103 LEU H H 8.04 0.02 1 1086 103 103 LEU HA H 3.29 0.02 1 1087 103 103 LEU HB2 H 1.09 0.02 2 1088 103 103 LEU HB3 H 1.70 0.02 2 1089 103 103 LEU HD1 H 0.79 0.02 1 1090 103 103 LEU HD2 H 0.79 0.02 1 1091 103 103 LEU HG H 1.56 0.02 1 1092 103 103 LEU C C 178.72 0.3 1 1093 103 103 LEU CA C 57.95 0.3 1 1094 103 103 LEU CB C 45.20 0.3 1 1095 103 103 LEU CD1 C 24.34 0.3 2 1096 103 103 LEU CD2 C 24.46 0.3 2 1097 103 103 LEU CG C 27.01 0.3 1 1098 103 103 LEU N N 116.27 0.3 1 1099 104 104 VAL H H 6.81 0.02 1 1100 104 104 VAL HA H 3.90 0.02 1 1101 104 104 VAL HB H 2.08 0.02 1 1102 104 104 VAL HG1 H 1.00 0.02 1 1103 104 104 VAL HG2 H 1.00 0.02 1 1104 104 104 VAL C C 180.38 0.3 1 1105 104 104 VAL CA C 64.86 0.3 1 1106 104 104 VAL CB C 32.04 0.3 1 1107 104 104 VAL CG1 C 22.89 0.3 2 1108 104 104 VAL CG2 C 23.86 0.3 2 1109 104 104 VAL N N 116.56 0.3 1 1110 105 105 ARG H H 9.17 0.02 1 1111 105 105 ARG HA H 4.11 0.02 1 1112 105 105 ARG HB2 H 2.01 0.02 2 1113 105 105 ARG HB3 H 2.04 0.02 2 1114 105 105 ARG HE H 7.40 0.02 1 1115 105 105 ARG HG2 H 1.54 0.02 1 1116 105 105 ARG HG3 H 1.54 0.02 1 1117 105 105 ARG C C 176.10 0.3 1 1118 105 105 ARG CA C 57.15 0.3 1 1119 105 105 ARG CB C 28.32 0.3 1 1120 105 105 ARG CD C 41.82 0.3 1 1121 105 105 ARG CG C 27.21 0.3 1 1122 105 105 ARG N N 122.85 0.3 1 1123 106 106 GLN H H 7.19 0.02 1 1124 106 106 GLN HA H 4.30 0.02 1 1125 106 106 GLN HB2 H 1.47 0.02 2 1126 106 106 GLN HB3 H 1.99 0.02 2 1127 106 106 GLN HG2 H 2.39 0.02 2 1128 106 106 GLN HG3 H 2.41 0.02 2 1129 106 106 GLN C C 175.69 0.3 1 1130 106 106 GLN CA C 54.10 0.3 1 1131 106 106 GLN CB C 28.46 0.3 1 1132 106 106 GLN CG C 33.91 0.3 1 1133 106 106 GLN N N 112.11 0.3 1 1134 107 107 GLY H H 8.04 0.02 1 1135 107 107 GLY HA2 H 4.03 0.02 2 1136 107 107 GLY HA3 H 4.24 0.02 2 1137 107 107 GLY C C 172.25 0.3 1 1138 107 107 GLY CA C 46.52 0.3 1 1139 107 107 GLY N N 107.03 0.3 1 1140 108 108 LEU H H 7.70 0.02 1 1141 108 108 LEU HA H 4.32 0.02 1 1142 108 108 LEU HB2 H 1.26 0.02 2 1143 108 108 LEU HB3 H 1.41 0.02 2 1144 108 108 LEU HD1 H 0.76 0.02 2 1145 108 108 LEU HD2 H 0.43 0.02 2 1146 108 108 LEU HG H 1.07 0.02 1 1147 108 108 LEU C C 173.21 0.3 1 1148 108 108 LEU CA C 53.43 0.3 1 1149 108 108 LEU CB C 43.60 0.3 1 1150 108 108 LEU CD1 C 22.83 0.3 1 1151 108 108 LEU CD2 C 22.83 0.3 1 1152 108 108 LEU CG C 26.24 0.3 1 1153 108 108 LEU N N 114.55 0.3 1 1154 109 109 ALA H H 7.10 0.02 1 1155 109 109 ALA HA H 4.47 0.02 1 1156 109 109 ALA HB H 1.06 0.02 1 1157 109 109 ALA C C 174.42 0.3 1 1158 109 109 ALA CA C 50.38 0.3 1 1159 109 109 ALA CB C 24.60 0.3 1 1160 109 109 ALA N N 113.74 0.3 1 1161 110 110 LYS H H 8.15 0.02 1 1162 110 110 LYS HA H 5.08 0.02 1 1163 110 110 LYS HB2 H 1.84 0.02 2 1164 110 110 LYS HB3 H 1.87 0.02 2 1165 110 110 LYS C C 175.52 0.3 1 1166 110 110 LYS CA C 53.96 0.3 1 1167 110 110 LYS CB C 35.63 0.3 1 1168 110 110 LYS CD C 29.53 0.3 1 1169 110 110 LYS CE C 41.94 0.3 1 1170 110 110 LYS CG C 24.66 0.3 1 1171 110 110 LYS N N 117.98 0.3 1 1172 111 111 VAL H H 9.13 0.02 1 1173 111 111 VAL HA H 4.52 0.02 1 1174 111 111 VAL HB H 1.98 0.02 1 1175 111 111 VAL HG1 H 0.92 0.02 2 1176 111 111 VAL HG2 H 1.00 0.02 2 1177 111 111 VAL C C 176.65 0.3 1 1178 111 111 VAL CA C 63.43 0.3 1 1179 111 111 VAL CB C 31.02 0.3 1 1180 111 111 VAL CG1 C 20.98 0.3 2 1181 111 111 VAL CG2 C 24.46 0.3 2 1182 111 111 VAL N N 122.40 0.3 1 1183 112 112 ALA H H 7.92 0.02 1 1184 112 112 ALA HA H 4.16 0.02 1 1185 112 112 ALA HB H 1.00 0.02 1 1186 112 112 ALA C C 174.42 0.3 1 1187 112 112 ALA CA C 51.21 0.3 1 1188 112 112 ALA CB C 22.48 0.3 1 1189 112 112 ALA N N 132.09 0.3 1 1190 113 113 TYR H H 8.09 0.02 1 1191 113 113 TYR HA H 3.90 0.02 1 1192 113 113 TYR HB2 H 2.90 0.02 2 1193 113 113 TYR HB3 H 3.03 0.02 2 1194 113 113 TYR HD1 H 6.77 0.02 1 1195 113 113 TYR HD2 H 6.77 0.02 1 1196 113 113 TYR HE1 H 6.90 0.02 1 1197 113 113 TYR HE2 H 6.90 0.02 1 1198 113 113 TYR C C 175.21 0.3 1 1199 113 113 TYR CA C 58.61 0.3 1 1200 113 113 TYR CB C 36.56 0.3 1 1201 113 113 TYR N N 115.96 0.3 1 1202 114 114 VAL H H 7.69 0.02 1 1203 114 114 VAL HA H 3.66 0.02 1 1204 114 114 VAL HB H 1.81 0.02 1 1205 114 114 VAL HG1 H 0.71 0.02 2 1206 114 114 VAL HG2 H 0.72 0.02 2 1207 114 114 VAL C C 174.48 0.3 1 1208 114 114 VAL CA C 62.24 0.3 1 1209 114 114 VAL CB C 31.97 0.3 1 1210 114 114 VAL CG1 C 22.14 0.3 1 1211 114 114 VAL CG2 C 22.14 0.3 1 1212 114 114 VAL N N 124.11 0.3 1 1213 115 115 TYR H H 8.94 0.02 1 1214 115 115 TYR HA H 4.81 0.02 1 1215 115 115 TYR HB2 H 3.01 0.02 2 1216 115 115 TYR HB3 H 2.97 0.02 2 1217 115 115 TYR HD1 H 7.21 0.02 1 1218 115 115 TYR HD2 H 7.21 0.02 1 1219 115 115 TYR HE1 H 6.83 0.02 1 1220 115 115 TYR HE2 H 6.83 0.02 1 1221 115 115 TYR C C 175.74 0.3 1 1222 115 115 TYR CA C 56.99 0.3 1 1223 115 115 TYR CB C 39.45 0.3 1 1224 115 115 TYR N N 128.02 0.3 1 1225 116 116 LYS H H 8.79 0.02 1 1226 116 116 LYS HA H 3.90 0.02 1 1227 116 116 LYS HB2 H 1.76 0.02 1 1228 116 116 LYS HB3 H 1.76 0.02 1 1229 116 116 LYS HD2 H 1.73 0.02 1 1230 116 116 LYS HD3 H 1.73 0.02 1 1231 116 116 LYS HE2 H 2.98 0.02 1 1232 116 116 LYS HE3 H 2.98 0.02 1 1233 116 116 LYS HG2 H 1.51 0.02 2 1234 116 116 LYS HG3 H 1.28 0.02 2 1235 116 116 LYS C C 175.11 0.3 1 1236 116 116 LYS CA C 56.30 0.3 1 1237 116 116 LYS CB C 31.54 0.3 1 1238 116 116 LYS CD C 29.51 0.3 1 1239 116 116 LYS CE C 41.93 0.3 1 1240 116 116 LYS CG C 24.71 0.3 1 1241 116 116 LYS N N 125.62 0.3 1 1242 117 117 PRO HA H 4.57 0.02 1 1243 117 117 PRO HB2 H 2.15 0.02 2 1244 117 117 PRO HB3 H 2.38 0.02 2 1245 117 117 PRO HD2 H 3.59 0.02 1 1246 117 117 PRO HD3 H 3.59 0.02 1 1247 117 117 PRO C C 174.37 0.3 1 1248 117 117 PRO CA C 64.02 0.3 1 1249 117 117 PRO CB C 32.75 0.3 1 1250 117 117 PRO CD C 49.55 0.3 1 1251 117 117 PRO CG C 23.75 0.3 1 1252 118 118 ASN H H 8.66 0.02 1 1253 118 118 ASN HA H 5.28 0.02 1 1254 118 118 ASN HB2 H 3.13 0.02 2 1255 118 118 ASN HB3 H 3.53 0.02 2 1256 118 118 ASN HD21 H 7.42 0.02 2 1257 118 118 ASN HD22 H 8.09 0.02 2 1258 118 118 ASN C C 174.40 0.3 1 1259 118 118 ASN CA C 51.68 0.3 1 1260 118 118 ASN CB C 36.24 0.3 1 1261 118 118 ASN N N 128.27 0.3 1 1262 118 118 ASN ND2 N 107.95 0.3 1 1263 119 119 ASN H H 8.11 0.02 1 1264 119 119 ASN HA H 4.88 0.02 1 1265 119 119 ASN HB2 H 2.07 0.02 2 1266 119 119 ASN HB3 H 3.25 0.02 2 1267 119 119 ASN HD21 H 7.65 0.02 2 1268 119 119 ASN HD22 H 6.87 0.02 2 1269 119 119 ASN C C 177.96 0.3 1 1270 119 119 ASN CA C 52.10 0.3 1 1271 119 119 ASN CB C 39.75 0.3 1 1272 119 119 ASN N N 117.92 0.3 1 1273 119 119 ASN ND2 N 111.18 0.3 1 1274 120 120 THR H H 10.71 0.02 1 1275 120 120 THR HA H 3.88 0.02 1 1276 120 120 THR HB H 3.78 0.02 1 1277 120 120 THR HG2 H 0.74 0.02 1 1278 120 120 THR C C 175.55 0.3 1 1279 120 120 THR CA C 66.59 0.3 1 1280 120 120 THR CB C 69.11 0.3 1 1281 120 120 THR N N 124.11 0.3 1 1282 121 121 HIS H H 6.88 0.02 1 1283 121 121 HIS HA H 5.46 0.02 1 1284 121 121 HIS HB2 H 2.35 0.02 2 1285 121 121 HIS HB3 H 3.24 0.02 2 1286 121 121 HIS C C 174.04 0.3 1 1287 121 121 HIS CA C 53.03 0.3 1 1288 121 121 HIS CB C 28.32 0.3 1 1289 121 121 HIS N N 112.02 0.3 1 1290 122 122 GLU H H 7.53 0.02 1 1291 122 122 GLU HA H 3.70 0.02 1 1292 122 122 GLU HB2 H 1.96 0.02 2 1293 122 122 GLU HB3 H 2.21 0.02 2 1294 122 122 GLU HG2 H 2.13 0.02 1 1295 122 122 GLU HG3 H 2.13 0.02 1 1296 122 122 GLU C C 177.17 0.3 1 1297 122 122 GLU CA C 61.27 0.3 1 1298 122 122 GLU CB C 30.33 0.3 1 1299 122 122 GLU CG C 35.25 0.3 1 1300 122 122 GLU N N 120.28 0.3 1 1301 123 123 GLN H H 8.92 0.02 1 1302 123 123 GLN HA H 3.98 0.02 1 1303 123 123 GLN HB2 H 2.15 0.02 2 1304 123 123 GLN HB3 H 2.12 0.02 2 1305 123 123 GLN HG2 H 2.45 0.02 1 1306 123 123 GLN HG3 H 2.45 0.02 1 1307 123 123 GLN C C 178.55 0.3 1 1308 123 123 GLN CA C 59.68 0.3 1 1309 123 123 GLN CB C 27.39 0.3 1 1310 123 123 GLN CG C 34.03 0.3 1 1311 123 123 GLN N N 117.55 0.3 1 1312 124 124 LEU H H 7.93 0.02 1 1313 124 124 LEU HA H 4.11 0.02 1 1314 124 124 LEU HB2 H 1.78 0.02 2 1315 124 124 LEU HB3 H 1.79 0.02 2 1316 124 124 LEU HD1 H 0.74 0.02 2 1317 124 124 LEU HD2 H 0.90 0.02 2 1318 124 124 LEU HG H 1.49 0.02 1 1319 124 124 LEU C C 179.10 0.3 1 1320 124 124 LEU CA C 58.32 0.3 1 1321 124 124 LEU CB C 42.30 0.3 1 1322 124 124 LEU CD1 C 24.11 0.3 2 1323 124 124 LEU CD2 C 25.85 0.3 2 1324 124 124 LEU CG C 27.13 0.3 1 1325 124 124 LEU N N 121.87 0.3 1 1326 125 125 LEU H H 7.89 0.02 1 1327 125 125 LEU HA H 4.00 0.02 1 1328 125 125 LEU HB2 H 1.55 0.02 2 1329 125 125 LEU HB3 H 1.88 0.02 2 1330 125 125 LEU HD1 H 0.75 0.02 2 1331 125 125 LEU HD2 H 0.91 0.02 2 1332 125 125 LEU HG H 1.80 0.02 1 1333 125 125 LEU C C 179.10 0.3 1 1334 125 125 LEU CA C 59.01 0.3 1 1335 125 125 LEU CB C 41.21 0.3 1 1336 125 125 LEU CD1 C 24.10 0.3 2 1337 125 125 LEU CD2 C 26.04 0.3 2 1338 125 125 LEU CG C 29.43 0.3 1 1339 125 125 LEU N N 119.15 0.3 1 1340 126 126 ARG H H 8.96 0.02 1 1341 126 126 ARG HA H 4.02 0.02 1 1342 126 126 ARG HB2 H 1.98 0.02 2 1343 126 126 ARG HB3 H 2.06 0.02 2 1344 126 126 ARG HD2 H 3.19 0.02 1 1345 126 126 ARG HD3 H 3.19 0.02 1 1346 126 126 ARG HG2 H 1.81 0.02 1 1347 126 126 ARG HG3 H 1.81 0.02 1 1348 126 126 ARG C C 179.72 0.3 1 1349 126 126 ARG CA C 60.61 0.3 1 1350 126 126 ARG CB C 29.25 0.3 1 1351 126 126 ARG CD C 43.24 0.3 1 1352 126 126 ARG CG C 25.03 0.3 1 1353 126 126 ARG N N 119.00 0.3 1 1354 127 127 LYS H H 8.17 0.02 1 1355 127 127 LYS HA H 4.16 0.02 1 1356 127 127 LYS HB2 H 2.03 0.02 1 1357 127 127 LYS HB3 H 2.03 0.02 1 1358 127 127 LYS HD2 H 1.83 0.02 2 1359 127 127 LYS HD3 H 1.85 0.02 2 1360 127 127 LYS HG2 H 1.42 0.02 2 1361 127 127 LYS HG3 H 1.63 0.02 2 1362 127 127 LYS C C 179.86 0.3 1 1363 127 127 LYS CA C 59.99 0.3 1 1364 127 127 LYS CB C 31.97 0.3 1 1365 127 127 LYS CD C 29.57 0.3 1 1366 127 127 LYS CE C 42.22 0.3 1 1367 127 127 LYS CG C 25.39 0.3 1 1368 127 127 LYS N N 122.68 0.3 1 1369 128 128 SER H H 7.80 0.02 1 1370 128 128 SER HA H 4.31 0.02 1 1371 128 128 SER HB2 H 3.62 0.02 2 1372 128 128 SER HB3 H 4.10 0.02 2 1373 128 128 SER C C 175.59 0.3 1 1374 128 128 SER CA C 62.47 0.3 1 1375 128 128 SER CB C 63.60 0.3 1 1376 128 128 SER N N 118.20 0.3 1 1377 129 129 GLU H H 8.54 0.02 1 1378 129 129 GLU HA H 3.86 0.02 1 1379 129 129 GLU HB2 H 2.20 0.02 1 1380 129 129 GLU HB3 H 2.20 0.02 1 1381 129 129 GLU C C 177.41 0.3 1 1382 129 129 GLU CA C 59.39 0.3 1 1383 129 129 GLU CB C 31.02 0.3 1 1384 129 129 GLU CG C 38.02 0.3 1 1385 129 129 GLU N N 125.03 0.3 1 1386 130 130 ALA H H 7.96 0.02 1 1387 130 130 ALA HA H 3.86 0.02 1 1388 130 130 ALA HB H 1.50 0.02 1 1389 130 130 ALA C C 181.03 0.3 1 1390 130 130 ALA CA C 55.03 0.3 1 1391 130 130 ALA CB C 17.70 0.3 1 1392 130 130 ALA N N 119.61 0.3 1 1393 131 131 GLN H H 7.51 0.02 1 1394 131 131 GLN HA H 4.00 0.02 1 1395 131 131 GLN HB2 H 1.95 0.02 2 1396 131 131 GLN HB3 H 2.19 0.02 2 1397 131 131 GLN HG2 H 2.39 0.02 1 1398 131 131 GLN HG3 H 2.39 0.02 1 1399 131 131 GLN C C 177.31 0.3 1 1400 131 131 GLN CA C 58.61 0.3 1 1401 131 131 GLN CB C 28.19 0.3 1 1402 131 131 GLN CG C 33.79 0.3 1 1403 131 131 GLN N N 118.58 0.3 1 1404 132 132 ALA H H 7.94 0.02 1 1405 132 132 ALA HA H 3.94 0.02 1 1406 132 132 ALA HB H 1.73 0.02 1 1407 132 132 ALA C C 179.55 0.3 1 1408 132 132 ALA CA C 55.71 0.3 1 1409 132 132 ALA CB C 18.55 0.3 1 1410 132 132 ALA N N 123.14 0.3 1 1411 133 133 LYS H H 8.14 0.02 1 1412 133 133 LYS HA H 3.49 0.02 1 1413 133 133 LYS HB2 H 1.27 0.02 2 1414 133 133 LYS HB3 H 0.77 0.02 2 1415 133 133 LYS HD2 H 1.01 0.02 2 1416 133 133 LYS HD3 H 0.80 0.02 2 1417 133 133 LYS HE2 H 2.19 0.02 2 1418 133 133 LYS HE3 H 1.97 0.02 2 1419 133 133 LYS HG2 H 0.45 0.02 2 1420 133 133 LYS HG3 H 0.58 0.02 2 1421 133 133 LYS C C 180.93 0.3 1 1422 133 133 LYS CA C 59.54 0.3 1 1423 133 133 LYS CB C 32.44 0.3 1 1424 133 133 LYS CD C 29.19 0.3 1 1425 133 133 LYS CE C 41.19 0.3 1 1426 133 133 LYS CG C 24.22 0.3 1 1427 133 133 LYS N N 117.35 0.3 1 1428 134 134 LYS H H 7.81 0.02 1 1429 134 134 LYS HA H 3.97 0.02 1 1430 134 134 LYS HB2 H 1.94 0.02 2 1431 134 134 LYS HB3 H 1.97 0.02 2 1432 134 134 LYS HD2 H 1.69 0.02 2 1433 134 134 LYS HD3 H 1.70 0.02 2 1434 134 134 LYS HE2 H 3.04 0.02 1 1435 134 134 LYS HE3 H 3.04 0.02 1 1436 134 134 LYS HG2 H 1.50 0.02 1 1437 134 134 LYS HG3 H 1.50 0.02 1 1438 134 134 LYS C C 178.69 0.3 1 1439 134 134 LYS CA C 59.28 0.3 1 1440 134 134 LYS CB C 32.31 0.3 1 1441 134 134 LYS CD C 29.16 0.3 1 1442 134 134 LYS CE C 41.94 0.3 1 1443 134 134 LYS CG C 24.54 0.3 1 1444 134 134 LYS N N 122.41 0.3 1 1445 135 135 GLU H H 7.65 0.02 1 1446 135 135 GLU HA H 4.05 0.02 1 1447 135 135 GLU HB2 H 2.15 0.02 2 1448 135 135 GLU HB3 H 2.07 0.02 2 1449 135 135 GLU HG2 H 2.21 0.02 2 1450 135 135 GLU HG3 H 2.52 0.02 2 1451 135 135 GLU C C 174.73 0.3 1 1452 135 135 GLU CA C 56.49 0.3 1 1453 135 135 GLU CB C 30.18 0.3 1 1454 135 135 GLU CG C 36.94 0.3 1 1455 135 135 GLU N N 116.70 0.3 1 1456 136 136 LYS H H 7.89 0.02 1 1457 136 136 LYS HA H 3.67 0.02 1 1458 136 136 LYS HB2 H 1.98 0.02 1 1459 136 136 LYS HB3 H 1.98 0.02 1 1460 136 136 LYS HD2 H 1.74 0.02 1 1461 136 136 LYS HD3 H 1.74 0.02 1 1462 136 136 LYS HE2 H 2.84 0.02 1 1463 136 136 LYS HE3 H 2.84 0.02 1 1464 136 136 LYS HG2 H 1.41 0.02 2 1465 136 136 LYS HG3 H 1.42 0.02 2 1466 136 136 LYS C C 175.62 0.3 1 1467 136 136 LYS CA C 57.15 0.3 1 1468 136 136 LYS CB C 28.99 0.3 1 1469 136 136 LYS CD C 29.43 0.3 1 1470 136 136 LYS CE C 42.40 0.3 1 1471 136 136 LYS CG C 25.07 0.3 1 1472 136 136 LYS N N 117.75 0.3 1 1473 137 137 LEU H H 7.84 0.02 1 1474 137 137 LEU HA H 4.20 0.02 1 1475 137 137 LEU HB2 H 1.46 0.02 2 1476 137 137 LEU HB3 H 1.55 0.02 2 1477 137 137 LEU HD1 H 0.97 0.02 2 1478 137 137 LEU HD2 H 0.81 0.02 2 1479 137 137 LEU HG H 1.70 0.02 1 1480 137 137 LEU C C 176.93 0.3 1 1481 137 137 LEU CA C 55.29 0.3 1 1482 137 137 LEU CB C 43.46 0.3 1 1483 137 137 LEU CD1 C 23.49 0.3 2 1484 137 137 LEU CD2 C 24.83 0.3 2 1485 137 137 LEU CG C 27.01 0.3 1 1486 137 137 LEU N N 118.49 0.3 1 1487 138 138 ASN H H 8.64 0.02 1 1488 138 138 ASN HA H 3.87 0.02 1 1489 138 138 ASN HB2 H 2.84 0.02 1 1490 138 138 ASN HB3 H 2.84 0.02 1 1491 138 138 ASN HD21 H 7.13 0.02 2 1492 138 138 ASN HD22 H 8.09 0.02 2 1493 138 138 ASN CA C 53.17 0.3 1 1494 138 138 ASN CB C 38.82 0.3 1 1495 138 138 ASN N N 117.65 0.3 1 1496 138 138 ASN ND2 N 115.74 0.3 1 1497 139 139 ILE H H 7.76 0.02 1 1498 139 139 ILE HA H 3.44 0.02 1 1499 139 139 ILE HB H 1.34 0.02 1 1500 139 139 ILE HD1 H -0.34 0.02 1 1501 139 139 ILE HG12 H 0.47 0.02 1 1502 139 139 ILE HG13 H 0.47 0.02 1 1503 139 139 ILE HG2 H 0.00 0.02 1 1504 139 139 ILE C C 175.53 0.3 1 1505 139 139 ILE CA C 64.29 0.3 1 1506 139 139 ILE CB C 37.01 0.3 1 1507 139 139 ILE CD1 C 12.90 0.3 1 1508 139 139 ILE CG1 C 25.84 0.3 1 1509 139 139 ILE CG2 C 17.10 0.3 1 1510 139 139 ILE N N 118.94 0.3 1 1511 140 140 TRP H H 7.55 0.02 1 1512 140 140 TRP HA H 4.65 0.02 1 1513 140 140 TRP HB2 H 2.84 0.02 2 1514 140 140 TRP HB3 H 3.53 0.02 2 1515 140 140 TRP HD1 H 7.03 0.02 1 1516 140 140 TRP HE1 H 10.12 0.02 1 1517 140 140 TRP HE3 H 7.71 0.02 1 1518 140 140 TRP HH2 H 7.17 0.02 1 1519 140 140 TRP HZ2 H 7.51 0.02 1 1520 140 140 TRP HZ3 H 7.09 0.02 1 1521 140 140 TRP C C 179.37 0.3 1 1522 140 140 TRP CA C 56.62 0.3 1 1523 140 140 TRP CB C 31.22 0.3 1 1524 140 140 TRP N N 128.03 0.3 1 1525 140 140 TRP NE1 N 128.74 0.3 1 stop_ save_