data_16789 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of human ubiquitin specific protease Usp7 UBL domain (residues 537-664). NESG target hr4395c/ SGC-Toronto ; _BMRB_accession_number 16789 _BMRB_flat_file_name bmr16789.str _Entry_type original _Submission_date 2010-03-25 _Accession_date 2010-03-25 _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 Bezsonova Irina . . 2 Lemak Alexander . . 3 Avvakumov George . . 4 Bezsonova Irina . . 5 Dhe-Paganon Sirano . . 6 Arrowsmith Cheryl . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 740 "13C chemical shifts" 524 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-24 original author . stop_ _Original_release_date 2010-09-24 save_ ############################# # Citation for this entry # ############################# save_to_be_published _Saveframe_category entry_citation _Citation_full . _Citation_title 'solution structure of the ubiquitin specific protease Usp7 ubiquitin-like domain' _Citation_status 'in preparation' _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 Bezsonova Irina . . 2 Avvakumov George . . 3 Dhe-Paganon Sirano . . 4 Arrowsmith Cheryl . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword ubl usp7 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name usp7-ubl1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label usp7-ubl1 $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 usp7-ubl1 _Molecular_mass 15040.011 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GSPQQLVERLQEEKRIEAQK RKERQEAHLYMQVQIVAEDQ FCGHQGNDMYDEEKVKYTVF KVLKNSSLAEFVQSLSQTMG FPQDQIRLWPMQARSNGTKR PAMLDNEADGNKTMIELSDN ENPWTIFLET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 PRO 4 2 GLN 5 3 GLN 6 4 LEU 7 5 VAL 8 6 GLU 9 7 ARG 10 8 LEU 11 9 GLN 12 10 GLU 13 11 GLU 14 12 LYS 15 13 ARG 16 14 ILE 17 15 GLU 18 16 ALA 19 17 GLN 20 18 LYS 21 19 ARG 22 20 LYS 23 21 GLU 24 22 ARG 25 23 GLN 26 24 GLU 27 25 ALA 28 26 HIS 29 27 LEU 30 28 TYR 31 29 MET 32 30 GLN 33 31 VAL 34 32 GLN 35 33 ILE 36 34 VAL 37 35 ALA 38 36 GLU 39 37 ASP 40 38 GLN 41 39 PHE 42 40 CYS 43 41 GLY 44 42 HIS 45 43 GLN 46 44 GLY 47 45 ASN 48 46 ASP 49 47 MET 50 48 TYR 51 49 ASP 52 50 GLU 53 51 GLU 54 52 LYS 55 53 VAL 56 54 LYS 57 55 TYR 58 56 THR 59 57 VAL 60 58 PHE 61 59 LYS 62 60 VAL 63 61 LEU 64 62 LYS 65 63 ASN 66 64 SER 67 65 SER 68 66 LEU 69 67 ALA 70 68 GLU 71 69 PHE 72 70 VAL 73 71 GLN 74 72 SER 75 73 LEU 76 74 SER 77 75 GLN 78 76 THR 79 77 MET 80 78 GLY 81 79 PHE 82 80 PRO 83 81 GLN 84 82 ASP 85 83 GLN 86 84 ILE 87 85 ARG 88 86 LEU 89 87 TRP 90 88 PRO 91 89 MET 92 90 GLN 93 91 ALA 94 92 ARG 95 93 SER 96 94 ASN 97 95 GLY 98 96 THR 99 97 LYS 100 98 ARG 101 99 PRO 102 100 ALA 103 101 MET 104 102 LEU 105 103 ASP 106 104 ASN 107 105 GLU 108 106 ALA 109 107 ASP 110 108 GLY 111 109 ASN 112 110 LYS 113 111 THR 114 112 MET 115 113 ILE 116 114 GLU 117 115 LEU 118 116 SER 119 117 ASP 120 118 ASN 121 119 GLU 122 120 ASN 123 121 PRO 124 122 TRP 125 123 THR 126 124 ILE 127 125 PHE 128 126 LEU 129 127 GLU 130 128 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KVR "Solution Nmr Structure Of Human Ubiquitin Specific Protease Usp7 Ubl Domain (Residues 537-664). Nesg Target Hr4395c SGC-Toronto" 100.00 130 100.00 100.00 2.88e-91 PDB 2YLM "Mechanism Of Usp7 (hausp) Activation By Its C-terminal Ubiquitin-like Domain (hubl) And Allosteric Regulation By Gmp-synthetase" 80.77 530 100.00 100.00 1.80e-67 PDB 4PYZ "Crystal Structure Of The First Two Ubl Domains Of Deubiquitylase Usp7" 100.00 273 100.00 100.00 2.77e-89 PDB 4WPH "Crystal Structure Of Usp7 Ubiquitin-like Domains In Compact Conformation" 98.46 375 100.00 100.00 4.06e-86 PDB 4YOC "Crystal Structure Of Human Dnmt1 And Usp7/hausp Complex" 80.77 548 100.00 100.00 1.83e-67 PDB 5C56 "Crystal Structure Of Usp7/hausp In Complex With Icp0" 80.77 548 100.00 100.00 1.83e-67 PDB 5C6D "Crystal Structure Of Usp7 In Complex With Uhrf1" 80.00 322 100.00 100.00 3.36e-69 DBJ BAH13721 "unnamed protein product [Homo sapiens]" 98.46 799 100.00 100.00 1.10e-81 DBJ BAH13801 "unnamed protein product [Homo sapiens]" 98.46 1086 100.00 100.00 2.36e-80 DBJ BAH13841 "unnamed protein product [Homo sapiens]" 98.46 1003 100.00 100.00 9.89e-81 DBJ BAH14812 "unnamed protein product [Homo sapiens]" 98.46 1086 100.00 100.00 2.18e-80 EMBL CAA96580 "herpesvirus associated ubiquitin-specific protease (HAUSP) [Homo sapiens]" 98.46 1102 100.00 100.00 2.24e-80 GB AAI00667 "Usp7 protein, partial [Mus musculus]" 98.46 887 99.22 100.00 6.14e-81 GB AAI66012 "Ubiquitin specific peptidase 7 [synthetic construct]" 98.46 1103 99.22 100.00 5.66e-80 GB AAI66690 "Ubiquitin specific peptidase 7 (herpes virus-associated) [synthetic construct]" 98.46 1102 100.00 100.00 2.24e-80 GB AAQ12339 "herpesvirus-associated ubiquitin-specific protease [Mus musculus]" 98.46 1103 99.22 100.00 5.66e-80 GB AAQ74887 "UBP [Gallus gallus]" 98.46 687 97.66 99.22 9.17e-81 REF NP_001003918 "ubiquitin carboxyl-terminal hydrolase 7 [Mus musculus]" 98.46 1103 99.22 100.00 5.66e-80 REF NP_001019961 "ubiquitin carboxyl-terminal hydrolase 7 [Rattus norvegicus]" 98.46 1103 98.44 100.00 2.78e-79 REF NP_001129152 "ubiquitin carboxyl-terminal hydrolase 7 [Sus scrofa]" 98.46 1103 99.22 100.00 7.83e-80 REF NP_001273386 "ubiquitin carboxyl-terminal hydrolase 7 isoform 2 [Homo sapiens]" 98.46 1086 100.00 100.00 2.20e-80 REF NP_001273387 "ubiquitin carboxyl-terminal hydrolase 7 isoform 3 [Homo sapiens]" 98.46 1003 100.00 100.00 9.89e-81 SP Q4VSI4 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Herpesvirus-assoc" 98.46 1103 98.44 100.00 2.78e-79 SP Q6A4J8 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Herpesvirus-assoc" 98.46 1103 99.22 100.00 5.66e-80 SP Q6U7I1 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Ubiquitin thioest" 98.46 1101 97.66 99.22 6.57e-79 SP Q93009 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Herpesvirus-assoc" 98.46 1102 100.00 100.00 2.24e-80 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 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET28a 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 0.8-1.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate, pH 7.0' 20 mM 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' DTT 2 mM 'natural abundance' PMSF 0.5 mM 'natural abundance' benzamidine 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Abacus _Saveframe_category software _Name ABACUS _Version . loop_ _Vendor _Address _Electronic_address 'A. Lemak' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Peter Guntert' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_aromatic_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic 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 7.0 . pH pressure 1 . atm temperature 298 . 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 carbons' ppm 0 na indirect . . . 0.2514 DSS H 1 'methyl carbons' ppm 0 internal direct . . . 1 DSS N 15 'methyl carbons' ppm 0 na indirect . . . 0.1013 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' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D HCCH-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 usp7-ubl1 _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 3 PRO HA H 4.385 0.04 1 2 1 3 PRO HB2 H 2.276 0.04 2 3 1 3 PRO HB3 H 1.852 0.04 2 4 1 3 PRO HD2 H 3.726 0.04 2 5 1 3 PRO HD3 H 3.841 0.04 2 6 1 3 PRO HG2 H 2.008 0.04 2 7 1 3 PRO HG3 H 2.008 0.04 2 8 1 3 PRO C C 177.412 0.4 1 9 1 3 PRO CA C 63.835 0.40 1 10 1 3 PRO CB C 31.732 0.40 1 11 1 3 PRO CD C 50.635 0.40 1 12 1 3 PRO CG C 27.361 0.40 1 13 2 4 GLN H H 8.355 0.04 1 14 2 4 GLN HA H 4.141 0.04 1 15 2 4 GLN HB2 H 2.022 0.04 2 16 2 4 GLN HB3 H 2.022 0.04 2 17 2 4 GLN HG2 H 2.375 0.04 2 18 2 4 GLN HG3 H 2.375 0.04 2 19 2 4 GLN C C 176.641 0.4 1 20 2 4 GLN CA C 56.932 0.40 1 21 2 4 GLN CB C 28.914 0.40 1 22 2 4 GLN CG C 33.761 0.40 1 23 2 4 GLN N N 119.909 0.40 1 24 3 5 GLN H H 8.242 0.04 1 25 3 5 GLN HA H 4.236 0.04 1 26 3 5 GLN HB2 H 2.050 0.04 2 27 3 5 GLN HB3 H 2.050 0.04 2 28 3 5 GLN HG2 H 2.375 0.04 2 29 3 5 GLN HG3 H 2.089 0.04 2 30 3 5 GLN C C 176.780 0.4 1 31 3 5 GLN CA C 56.711 0.40 1 32 3 5 GLN CB C 29.140 0.40 1 33 3 5 GLN CG C 33.979 0.40 1 34 3 5 GLN N N 120.467 0.40 1 35 4 6 LEU H H 8.063 0.04 1 36 4 6 LEU HA H 4.245 0.04 1 37 4 6 LEU HB2 H 1.632 0.04 2 38 4 6 LEU HB3 H 1.632 0.04 2 39 4 6 LEU HD1 H 0.893 0.04 1 40 4 6 LEU HD2 H 0.849 0.04 1 41 4 6 LEU HG H 1.582 0.04 1 42 4 6 LEU C C 177.905 0.4 1 43 4 6 LEU CA C 56.317 0.40 1 44 4 6 LEU CB C 41.844 0.40 1 45 4 6 LEU CD1 C 24.451 0.40 1 46 4 6 LEU CD2 C 23.840 0.40 1 47 4 6 LEU CG C 26.937 0.40 1 48 4 6 LEU N N 122.735 0.40 1 49 5 7 VAL H H 7.928 0.04 1 50 5 7 VAL HA H 3.846 0.04 1 51 5 7 VAL HB H 2.070 0.04 1 52 5 7 VAL HG1 H 0.940 0.04 1 53 5 7 VAL HG2 H 0.922 0.04 1 54 5 7 VAL C C 177.187 0.4 1 55 5 7 VAL CA C 64.061 0.40 1 56 5 7 VAL CB C 32.078 0.40 1 57 5 7 VAL CG1 C 21.290 0.40 1 58 5 7 VAL CG2 C 20.996 0.40 1 59 5 7 VAL N N 119.992 0.40 1 60 6 8 GLU H H 8.260 0.04 1 61 6 8 GLU HA H 4.156 0.04 1 62 6 8 GLU HB2 H 2.026 0.04 2 63 6 8 GLU HB3 H 2.026 0.04 2 64 6 8 GLU HG2 H 2.319 0.04 2 65 6 8 GLU HG3 H 2.248 0.04 2 66 6 8 GLU C C 177.907 0.4 1 67 6 8 GLU CA C 58.031 0.40 1 68 6 8 GLU CB C 29.918 0.40 1 69 6 8 GLU CG C 36.431 0.40 1 70 6 8 GLU N N 122.232 0.40 1 71 7 9 ARG H H 8.159 0.04 1 72 7 9 ARG HA H 4.233 0.04 1 73 7 9 ARG HB2 H 1.922 0.04 2 74 7 9 ARG HB3 H 1.922 0.04 2 75 7 9 ARG HD2 H 3.209 0.04 2 76 7 9 ARG HD3 H 3.209 0.04 2 77 7 9 ARG HG2 H 1.642 0.04 2 78 7 9 ARG HG3 H 1.642 0.04 2 79 7 9 ARG C C 178.101 0.4 1 80 7 9 ARG CA C 57.701 0.40 1 81 7 9 ARG CB C 30.249 0.40 1 82 7 9 ARG CD C 43.349 0.40 1 83 7 9 ARG CG C 27.142 0.40 1 84 7 9 ARG N N 121.436 0.40 1 85 8 10 LEU H H 8.216 0.04 1 86 8 10 LEU HA H 4.212 0.04 1 87 8 10 LEU HB2 H 1.592 0.04 2 88 8 10 LEU HB3 H 1.764 0.04 2 89 8 10 LEU HD1 H 0.888 0.04 1 90 8 10 LEU HD2 H 0.856 0.04 1 91 8 10 LEU HG H 1.580 0.04 1 92 8 10 LEU C C 178.881 0.4 1 93 8 10 LEU CA C 56.510 0.40 1 94 8 10 LEU CB C 41.740 0.40 1 95 8 10 LEU CD1 C 24.887 0.40 1 96 8 10 LEU CD2 C 23.240 0.40 1 97 8 10 LEU CG C 26.823 0.40 1 98 8 10 LEU N N 119.699 0.40 1 99 9 11 GLN H H 8.219 0.04 1 100 9 11 GLN HA H 4.145 0.04 1 101 9 11 GLN HB2 H 2.134 0.04 2 102 9 11 GLN HB3 H 2.134 0.04 2 103 9 11 GLN HG2 H 2.475 0.04 2 104 9 11 GLN HG3 H 2.422 0.04 2 105 9 11 GLN C C 177.706 0.4 1 106 9 11 GLN CA C 57.636 0.40 1 107 9 11 GLN CB C 28.616 0.40 1 108 9 11 GLN CG C 33.868 0.40 1 109 9 11 GLN N N 119.407 0.40 1 110 10 12 GLU H H 8.220 0.04 1 111 10 12 GLU N N 121.500 0.40 1 112 11 13 GLU HA H 4.132 0.04 1 113 11 13 GLU HB2 H 2.183 0.04 2 114 11 13 GLU HB3 H 2.183 0.04 2 115 11 13 GLU HG2 H 2.451 0.04 2 116 11 13 GLU HG3 H 2.407 0.04 2 117 11 13 GLU C C 177.892 0.4 1 118 11 13 GLU CA C 57.833 0.40 1 119 11 13 GLU CB C 28.279 0.40 1 120 11 13 GLU CG C 33.489 0.40 1 121 12 14 LYS H H 8.197 0.04 1 122 12 14 LYS HA H 4.164 0.04 1 123 12 14 LYS HB2 H 1.895 0.04 2 124 12 14 LYS HB3 H 1.895 0.04 2 125 12 14 LYS HD2 H 1.671 0.04 2 126 12 14 LYS HD3 H 1.671 0.04 2 127 12 14 LYS HE2 H 2.971 0.04 2 128 12 14 LYS HE3 H 2.971 0.04 2 129 12 14 LYS HG2 H 1.459 0.04 2 130 12 14 LYS HG3 H 1.584 0.04 2 131 12 14 LYS C C 178.483 0.4 1 132 12 14 LYS CA C 58.084 0.40 1 133 12 14 LYS CB C 32.249 0.40 1 134 12 14 LYS CD C 28.943 0.40 1 135 12 14 LYS CE C 42.022 0.40 1 136 12 14 LYS CG C 25.001 0.40 1 137 12 14 LYS N N 120.330 0.40 1 138 13 15 ARG H H 8.054 0.04 1 139 13 15 ARG HA H 4.167 0.04 1 140 13 15 ARG HB2 H 1.940 0.04 2 141 13 15 ARG HB3 H 1.940 0.04 2 142 13 15 ARG HD2 H 3.235 0.04 2 143 13 15 ARG HD3 H 3.235 0.04 2 144 13 15 ARG HG2 H 1.723 0.04 2 145 13 15 ARG HG3 H 1.573 0.04 2 146 13 15 ARG CA C 58.554 0.40 1 147 13 15 ARG CB C 30.111 0.40 1 148 13 15 ARG CD C 43.152 0.40 1 149 13 15 ARG CG C 27.332 0.40 1 150 13 15 ARG N N 122.123 0.40 1 151 14 16 ILE HA H 3.874 0.04 1 152 14 16 ILE HB H 1.935 0.04 1 153 14 16 ILE HD1 H 0.854 0.04 1 154 14 16 ILE HG12 H 1.622 0.04 2 155 14 16 ILE HG13 H 1.622 0.04 2 156 14 16 ILE HG2 H 0.933 0.04 1 157 14 16 ILE CA C 63.267 0.40 1 158 14 16 ILE CB C 37.972 0.40 1 159 14 16 ILE CD1 C 12.754 0.40 1 160 14 16 ILE CG1 C 28.410 0.40 1 161 14 16 ILE CG2 C 17.210 0.40 1 162 15 17 GLU H H 8.198 0.04 1 163 15 17 GLU HA H 4.237 0.04 1 164 15 17 GLU HB2 H 2.045 0.04 2 165 15 17 GLU HB3 H 1.969 0.04 2 166 15 17 GLU HG2 H 2.261 0.04 2 167 15 17 GLU HG3 H 2.261 0.04 2 168 15 17 GLU C C 177.901 0.4 1 169 15 17 GLU CA C 56.771 0.40 1 170 15 17 GLU CB C 30.113 0.40 1 171 15 17 GLU CG C 36.158 0.40 1 172 15 17 GLU N N 121.884 0.40 1 173 16 18 ALA H H 8.178 0.04 1 174 16 18 ALA HA H 4.363 0.04 1 175 16 18 ALA HB H 1.472 0.04 1 176 16 18 ALA C C 178.210 0.4 1 177 16 18 ALA CA C 53.029 0.40 1 178 16 18 ALA CB C 19.170 0.40 1 179 16 18 ALA N N 124.131 0.40 1 180 17 19 GLN H H 8.551 0.04 1 181 17 19 GLN N N 118.931 0.40 1 182 18 20 LYS HA H 4.136 0.04 1 183 18 20 LYS HB2 H 1.891 0.04 2 184 18 20 LYS HB3 H 1.891 0.04 2 185 18 20 LYS HD2 H 1.689 0.04 2 186 18 20 LYS HD3 H 1.689 0.04 2 187 18 20 LYS HE2 H 2.997 0.04 2 188 18 20 LYS HE3 H 2.997 0.04 2 189 18 20 LYS HG2 H 1.504 0.04 2 190 18 20 LYS HG3 H 1.399 0.04 2 191 18 20 LYS C C 175.809 0.4 1 192 18 20 LYS CA C 58.277 0.40 1 193 18 20 LYS CB C 32.454 0.40 1 194 18 20 LYS CD C 29.262 0.40 1 195 18 20 LYS CE C 42.034 0.40 1 196 18 20 LYS CG C 24.657 0.40 1 197 19 21 ARG H H 8.058 0.04 1 198 19 21 ARG HA H 4.104 0.04 1 199 19 21 ARG HB2 H 1.899 0.04 2 200 19 21 ARG HB3 H 1.899 0.04 2 201 19 21 ARG HD2 H 3.234 0.04 2 202 19 21 ARG HD3 H 3.195 0.04 2 203 19 21 ARG HG2 H 1.755 0.04 2 204 19 21 ARG HG3 H 1.583 0.04 2 205 19 21 ARG C C 177.892 0.4 1 206 19 21 ARG CA C 58.196 0.40 1 207 19 21 ARG CB C 30.286 0.40 1 208 19 21 ARG CD C 43.287 0.40 1 209 19 21 ARG CG C 27.405 0.40 1 210 19 21 ARG N N 119.736 0.40 1 211 20 22 LYS H H 7.931 0.04 1 212 20 22 LYS N N 121.180 0.40 1 213 22 24 ARG HA H 4.339 0.04 1 214 22 24 ARG HB2 H 1.783 0.04 2 215 22 24 ARG HB3 H 1.783 0.04 2 216 22 24 ARG HD2 H 3.200 0.04 2 217 22 24 ARG HD3 H 3.200 0.04 2 218 22 24 ARG HG2 H 1.682 0.04 2 219 22 24 ARG HG3 H 1.682 0.04 2 220 22 24 ARG C C 176.027 0.4 1 221 22 24 ARG CA C 56.028 0.40 1 222 22 24 ARG CB C 30.607 0.40 1 223 22 24 ARG CD C 43.431 0.40 1 224 22 24 ARG CG C 26.815 0.40 1 225 23 25 GLN H H 8.395 0.04 1 226 23 25 GLN HA H 4.323 0.04 1 227 23 25 GLN HB2 H 1.898 0.04 2 228 23 25 GLN HB3 H 1.898 0.04 2 229 23 25 GLN HG2 H 2.360 0.04 2 230 23 25 GLN HG3 H 2.320 0.04 2 231 23 25 GLN CA C 55.505 0.40 1 232 23 25 GLN CB C 30.035 0.40 1 233 23 25 GLN CG C 32.930 0.40 1 234 23 25 GLN N N 123.119 0.40 1 235 24 26 GLU HA H 4.558 0.04 1 236 24 26 GLU HB2 H 2.185 0.04 2 237 24 26 GLU HB3 H 2.058 0.04 2 238 24 26 GLU HG2 H 2.439 0.04 2 239 24 26 GLU HG3 H 2.439 0.04 2 240 24 26 GLU C C 175.390 0.4 1 241 24 26 GLU CA C 55.525 0.40 1 242 24 26 GLU CB C 30.203 0.40 1 243 24 26 GLU CG C 33.788 0.40 1 244 25 27 ALA H H 8.790 0.04 1 245 25 27 ALA HA H 4.272 0.04 1 246 25 27 ALA HB H 1.383 0.04 1 247 25 27 ALA C C 177.353 0.4 1 248 25 27 ALA CA C 52.687 0.40 1 249 25 27 ALA CB C 19.083 0.40 1 250 25 27 ALA N N 126.556 0.40 1 251 26 28 HIS HA H 4.617 0.04 1 252 26 28 HIS HB2 H 3.243 0.04 2 253 26 28 HIS HB3 H 3.152 0.04 2 254 26 28 HIS HD2 H 7.076 0.04 2 255 26 28 HIS HE1 H 7.934 0.04 1 256 26 28 HIS C C 176.306 0.4 1 257 26 28 HIS CA C 57.386 0.40 1 258 26 28 HIS CB C 29.797 0.40 1 259 26 28 HIS CD2 C 119.269 0.40 1 260 26 28 HIS CE1 C 138.839 0.40 1 261 27 29 LEU H H 7.803 0.04 1 262 27 29 LEU HA H 4.100 0.04 1 263 27 29 LEU HB2 H 1.592 0.04 2 264 27 29 LEU HB3 H 1.081 0.04 2 265 27 29 LEU HD1 H 0.825 0.04 1 266 27 29 LEU HD2 H 0.712 0.04 1 267 27 29 LEU HG H 1.169 0.04 1 268 27 29 LEU C C 177.381 0.4 1 269 27 29 LEU CA C 55.572 0.40 1 270 27 29 LEU CB C 42.472 0.40 1 271 27 29 LEU CD1 C 25.126 0.40 1 272 27 29 LEU CD2 C 22.178 0.40 1 273 27 29 LEU CG C 26.389 0.40 1 274 27 29 LEU N N 118.840 0.40 1 275 28 30 TYR H H 7.807 0.04 1 276 28 30 TYR HA H 5.023 0.04 1 277 28 30 TYR HB2 H 2.882 0.04 2 278 28 30 TYR HB3 H 2.804 0.04 2 279 28 30 TYR HD1 H 6.942 0.04 2 280 28 30 TYR HD2 H 6.942 0.04 2 281 28 30 TYR HE1 H 6.771 0.04 2 282 28 30 TYR HE2 H 6.771 0.04 2 283 28 30 TYR C C 173.981 0.4 1 284 28 30 TYR CA C 58.032 0.40 1 285 28 30 TYR CB C 41.898 0.40 1 286 28 30 TYR CD1 C 133.397 0.40 1 287 28 30 TYR CE1 C 118.493 0.40 1 288 28 30 TYR N N 117.690 0.40 1 289 29 31 MET H H 9.500 0.04 1 290 29 31 MET HA H 4.860 0.04 1 291 29 31 MET HB2 H 2.036 0.04 2 292 29 31 MET HB3 H 2.036 0.04 2 293 29 31 MET HE H 2.018 0.04 1 294 29 31 MET CA C 53.549 0.40 1 295 29 31 MET CB C 30.000 0.40 1 296 29 31 MET CE C 17.181 0.40 1 297 29 31 MET N N 115.703 0.40 1 298 30 32 GLN HA H 5.220 0.04 1 299 30 32 GLN HB2 H 1.978 0.04 2 300 30 32 GLN HB3 H 1.860 0.04 2 301 30 32 GLN HG2 H 2.371 0.04 2 302 30 32 GLN HG3 H 2.064 0.04 2 303 30 32 GLN C C 174.798 0.4 1 304 30 32 GLN CA C 54.717 0.40 1 305 30 32 GLN CB C 31.471 0.40 1 306 30 32 GLN CG C 34.996 0.40 1 307 31 33 VAL H H 9.245 0.04 1 308 31 33 VAL HA H 4.972 0.04 1 309 31 33 VAL HB H 1.923 0.04 1 310 31 33 VAL HG1 H 0.762 0.04 1 311 31 33 VAL HG2 H 0.656 0.04 1 312 31 33 VAL C C 174.925 0.4 1 313 31 33 VAL CA C 60.595 0.40 1 314 31 33 VAL CB C 33.900 0.40 1 315 31 33 VAL CG1 C 22.287 0.40 1 316 31 33 VAL CG2 C 21.573 0.40 1 317 31 33 VAL N N 124.732 0.40 1 318 32 34 GLN H H 9.266 0.04 1 319 32 34 GLN HA H 4.885 0.04 1 320 32 34 GLN HB2 H 1.841 0.04 2 321 32 34 GLN HB3 H 1.504 0.04 2 322 32 34 GLN HG2 H 2.051 0.04 2 323 32 34 GLN HG3 H 1.858 0.04 2 324 32 34 GLN C C 173.634 0.4 1 325 32 34 GLN CA C 53.640 0.40 1 326 32 34 GLN CB C 29.833 0.40 1 327 32 34 GLN CG C 34.462 0.40 1 328 32 34 GLN N N 126.554 0.40 1 329 33 35 ILE H H 9.265 0.04 1 330 33 35 ILE HA H 5.090 0.04 1 331 33 35 ILE HB H 2.309 0.04 1 332 33 35 ILE HD1 H 0.702 0.04 1 333 33 35 ILE HG12 H 1.647 0.04 2 334 33 35 ILE HG13 H 1.519 0.04 2 335 33 35 ILE HG2 H 0.844 0.04 1 336 33 35 ILE C C 175.873 0.4 1 337 33 35 ILE CA C 57.428 0.40 1 338 33 35 ILE CB C 37.410 0.40 1 339 33 35 ILE CD1 C 10.874 0.40 1 340 33 35 ILE CG1 C 26.770 0.40 1 341 33 35 ILE CG2 C 18.047 0.40 1 342 33 35 ILE N N 124.965 0.40 1 343 34 36 VAL H H 8.821 0.04 1 344 34 36 VAL HA H 4.445 0.04 1 345 34 36 VAL HB H 1.818 0.04 1 346 34 36 VAL HG1 H 0.870 0.04 1 347 34 36 VAL HG2 H 0.695 0.04 1 348 34 36 VAL C C 173.821 0.4 1 349 34 36 VAL CA C 60.624 0.40 1 350 34 36 VAL CB C 33.461 0.40 1 351 34 36 VAL CG1 C 21.292 0.40 1 352 34 36 VAL CG2 C 21.195 0.40 1 353 34 36 VAL N N 129.189 0.40 1 354 35 37 ALA H H 8.639 0.04 1 355 35 37 ALA HA H 4.765 0.04 1 356 35 37 ALA HB H 1.376 0.04 1 357 35 37 ALA C C 177.043 0.4 1 358 35 37 ALA CA C 50.934 0.40 1 359 35 37 ALA CB C 20.755 0.40 1 360 35 37 ALA N N 128.659 0.40 1 361 36 38 GLU H H 8.532 0.04 1 362 36 38 GLU HA H 4.330 0.04 1 363 36 38 GLU HB2 H 2.116 0.04 2 364 36 38 GLU HB3 H 2.023 0.04 2 365 36 38 GLU HG2 H 2.340 0.04 2 366 36 38 GLU HG3 H 2.264 0.04 2 367 36 38 GLU C C 176.322 0.4 1 368 36 38 GLU CA C 57.063 0.40 1 369 36 38 GLU CB C 30.760 0.40 1 370 36 38 GLU CG C 36.309 0.40 1 371 36 38 GLU N N 121.052 0.40 1 372 37 39 ASP H H 8.468 0.04 1 373 37 39 ASP HA H 4.511 0.04 1 374 37 39 ASP HB2 H 2.648 0.04 2 375 37 39 ASP HB3 H 2.616 0.04 2 376 37 39 ASP C C 176.764 0.4 1 377 37 39 ASP CA C 54.519 0.40 1 378 37 39 ASP CB C 40.929 0.40 1 379 37 39 ASP N N 121.066 0.40 1 380 38 40 GLN H H 8.204 0.04 1 381 38 40 GLN HA H 4.173 0.04 1 382 38 40 GLN HB2 H 1.917 0.04 2 383 38 40 GLN HB3 H 1.842 0.04 2 384 38 40 GLN HG2 H 2.080 0.04 2 385 38 40 GLN HG3 H 2.010 0.04 2 386 38 40 GLN C C 177.958 0.4 1 387 38 40 GLN CA C 56.263 0.40 1 388 38 40 GLN CB C 29.026 0.40 1 389 38 40 GLN CG C 33.473 0.40 1 390 38 40 GLN N N 118.986 0.40 1 391 39 41 PHE H H 8.162 0.04 1 392 39 41 PHE HA H 4.562 0.04 1 393 39 41 PHE HB2 H 2.982 0.04 2 394 39 41 PHE HB3 H 3.137 0.04 2 395 39 41 PHE HD1 H 7.179 0.04 2 396 39 41 PHE HD2 H 7.179 0.04 2 397 39 41 PHE HZ H 7.091 0.04 1 398 39 41 PHE CA C 57.897 0.40 1 399 39 41 PHE CB C 39.180 0.40 1 400 39 41 PHE CD1 C 131.665 0.40 1 401 39 41 PHE CZ C 129.666 0.40 1 402 39 41 PHE N N 119.269 0.40 1 403 40 42 CYS HA H 4.386 0.04 1 404 40 42 CYS HB2 H 2.831 0.04 2 405 40 42 CYS HB3 H 2.831 0.04 2 406 40 42 CYS C C 174.745 0.4 1 407 40 42 CYS CA C 58.544 0.40 1 408 40 42 CYS CB C 27.824 0.40 1 409 41 43 GLY H H 7.918 0.04 1 410 41 43 GLY HA2 H 3.806 0.04 2 411 41 43 GLY HA3 H 3.759 0.04 2 412 41 43 GLY CA C 45.285 0.40 1 413 41 43 GLY N N 110.172 0.40 1 414 42 44 HIS H H 8.109 0.04 1 415 42 44 HIS HA H 4.535 0.04 1 416 42 44 HIS HB2 H 3.066 0.04 2 417 42 44 HIS HB3 H 3.030 0.04 2 418 42 44 HIS HD2 H 6.955 0.04 2 419 42 44 HIS HE1 H 7.997 0.04 1 420 42 44 HIS C C 175.113 0.4 1 421 42 44 HIS CA C 55.984 0.40 1 422 42 44 HIS CB C 29.772 0.40 1 423 42 44 HIS CD2 C 119.872 0.40 1 424 42 44 HIS CE1 C 137.386 0.40 1 425 42 44 HIS N N 118.199 0.40 1 426 43 45 GLN H H 8.369 0.04 1 427 43 45 GLN HA H 4.251 0.04 1 428 43 45 GLN HB2 H 2.042 0.04 2 429 43 45 GLN HB3 H 1.883 0.04 2 430 43 45 GLN HE21 H 6.755 0.04 1 431 43 45 GLN HE22 H 7.400 0.04 2 432 43 45 GLN HG2 H 2.211 0.04 2 433 43 45 GLN HG3 H 2.211 0.04 2 434 43 45 GLN C C 176.232 0.4 1 435 43 45 GLN CA C 55.862 0.40 1 436 43 45 GLN CB C 29.162 0.40 1 437 43 45 GLN CG C 33.654 0.40 1 438 43 45 GLN N N 120.906 0.40 1 439 43 45 GLN NE2 N 112.303 0.04 2 440 44 46 GLY H H 8.280 0.04 1 441 44 46 GLY HA2 H 3.929 0.04 2 442 44 46 GLY HA3 H 3.865 0.04 2 443 44 46 GLY C C 173.940 0.4 1 444 44 46 GLY CA C 45.339 0.40 1 445 44 46 GLY N N 109.628 0.40 1 446 45 47 ASN H H 8.265 0.04 1 447 45 47 ASN HA H 4.693 0.04 1 448 45 47 ASN HB2 H 2.806 0.04 2 449 45 47 ASN HB3 H 2.713 0.04 2 450 45 47 ASN HD21 H 6.857 0.04 1 451 45 47 ASN HD22 H 7.5535 0.04 2 452 45 47 ASN C C 175.085 0.4 1 453 45 47 ASN CA C 53.177 0.40 1 454 45 47 ASN CB C 38.928 0.40 1 455 45 47 ASN N N 118.529 0.40 1 456 45 47 ASN ND2 N 112.491 0.04 2 457 46 48 ASP H H 8.351 0.04 1 458 46 48 ASP HA H 4.530 0.04 1 459 46 48 ASP HB2 H 2.646 0.04 2 460 46 48 ASP HB3 H 2.615 0.04 2 461 46 48 ASP C C 176.120 0.4 1 462 46 48 ASP CA C 54.512 0.40 1 463 46 48 ASP CB C 40.940 0.40 1 464 46 48 ASP N N 120.101 0.40 1 465 47 49 MET H H 8.110 0.04 1 466 47 49 MET HA H 4.336 0.04 1 467 47 49 MET HB2 H 1.896 0.04 2 468 47 49 MET HB3 H 1.852 0.04 2 469 47 49 MET HE H 1.967 0.04 1 470 47 49 MET HG2 H 2.363 0.04 2 471 47 49 MET HG3 H 2.328 0.04 2 472 47 49 MET C C 175.694 0.4 1 473 47 49 MET CA C 55.624 0.40 1 474 47 49 MET CB C 32.585 0.40 1 475 47 49 MET CE C 16.816 0.40 1 476 47 49 MET CG C 31.749 0.40 1 477 47 49 MET N N 119.059 0.40 1 478 48 50 TYR H H 7.960 0.04 1 479 48 50 TYR HA H 4.479 0.04 1 480 48 50 TYR HB2 H 3.007 0.04 2 481 48 50 TYR HB3 H 2.865 0.04 2 482 48 50 TYR HD1 H 6.998 0.04 1 483 48 50 TYR HE1 H 6.747 0.04 1 484 48 50 TYR C C 175.082 0.4 1 485 48 50 TYR CA C 57.732 0.40 1 486 48 50 TYR CB C 38.644 0.40 1 487 48 50 TYR CD1 C 133.190 0.40 1 488 48 50 TYR CE1 C 118.189 0.40 1 489 48 50 TYR N N 120.303 0.40 1 490 49 51 ASP H H 8.024 0.04 1 491 49 51 ASP HA H 4.567 0.04 1 492 49 51 ASP HB2 H 2.709 0.04 2 493 49 51 ASP HB3 H 2.547 0.04 2 494 49 51 ASP C C 176.447 0.4 1 495 49 51 ASP CA C 53.771 0.40 1 496 49 51 ASP CB C 41.435 0.40 1 497 49 51 ASP N N 122.643 0.40 1 498 50 52 GLU H H 8.522 0.04 1 499 50 52 GLU HA H 4.101 0.04 1 500 50 52 GLU HB2 H 2.041 0.04 2 501 50 52 GLU HB3 H 2.041 0.04 2 502 50 52 GLU HG2 H 2.286 0.04 2 503 50 52 GLU HG3 H 2.286 0.04 2 504 50 52 GLU C C 176.910 0.4 1 505 50 52 GLU CA C 57.695 0.40 1 506 50 52 GLU CB C 30.126 0.40 1 507 50 52 GLU CG C 36.206 0.40 1 508 50 52 GLU N N 122.844 0.40 1 509 51 53 GLU H H 8.386 0.04 1 510 51 53 GLU HA H 4.235 0.04 1 511 51 53 GLU HB2 H 2.063 0.04 2 512 51 53 GLU HB3 H 2.019 0.04 2 513 51 53 GLU HG2 H 2.295 0.04 2 514 51 53 GLU HG3 H 2.295 0.04 2 515 51 53 GLU C C 176.953 0.4 1 516 51 53 GLU CA C 57.058 0.40 1 517 51 53 GLU CB C 29.981 0.40 1 518 51 53 GLU CG C 36.021 0.40 1 519 51 53 GLU N N 118.858 0.40 1 520 52 54 LYS H H 7.924 0.04 1 521 52 54 LYS HA H 4.338 0.04 1 522 52 54 LYS HB2 H 1.876 0.04 2 523 52 54 LYS HB3 H 1.722 0.04 2 524 52 54 LYS HD2 H 1.616 0.04 2 525 52 54 LYS HD3 H 1.616 0.04 2 526 52 54 LYS HE2 H 2.942 0.04 2 527 52 54 LYS HE3 H 2.942 0.04 2 528 52 54 LYS HG2 H 1.329 0.04 2 529 52 54 LYS HG3 H 1.329 0.04 2 530 52 54 LYS C C 176.311 0.4 1 531 52 54 LYS CA C 56.052 0.40 1 532 52 54 LYS CB C 33.288 0.40 1 533 52 54 LYS CD C 28.925 0.40 1 534 52 54 LYS CE C 42.041 0.40 1 535 52 54 LYS CG C 24.856 0.40 1 536 52 54 LYS N N 119.535 0.40 1 537 53 55 VAL H H 7.607 0.04 1 538 53 55 VAL HA H 4.124 0.04 1 539 53 55 VAL HB H 1.902 0.04 1 540 53 55 VAL HG1 H 0.710 0.04 1 541 53 55 VAL HG2 H 0.807 0.04 1 542 53 55 VAL C C 174.938 0.4 1 543 53 55 VAL CA C 61.685 0.40 1 544 53 55 VAL CB C 33.066 0.40 1 545 53 55 VAL CG1 C 21.284 0.40 1 546 53 55 VAL CG2 C 20.616 0.40 1 547 53 55 VAL N N 118.876 0.40 1 548 54 56 LYS H H 8.333 0.04 1 549 54 56 LYS HA H 4.398 0.04 1 550 54 56 LYS HB2 H 1.720 0.04 2 551 54 56 LYS HB3 H 1.632 0.04 2 552 54 56 LYS HD2 H 1.625 0.04 2 553 54 56 LYS HD3 H 1.625 0.04 2 554 54 56 LYS HE2 H 2.942 0.04 2 555 54 56 LYS HE3 H 2.942 0.04 2 556 54 56 LYS HG2 H 1.360 0.04 2 557 54 56 LYS HG3 H 1.273 0.04 2 558 54 56 LYS C C 175.508 0.4 1 559 54 56 LYS CA C 55.140 0.40 1 560 54 56 LYS CB C 33.572 0.40 1 561 54 56 LYS CD C 28.967 0.40 1 562 54 56 LYS CE C 42.097 0.40 1 563 54 56 LYS CG C 24.536 0.40 1 564 54 56 LYS N N 124.801 0.40 1 565 55 57 TYR H H 8.064 0.04 1 566 55 57 TYR HA H 5.223 0.04 1 567 55 57 TYR HB2 H 2.730 0.04 2 568 55 57 TYR HB3 H 2.730 0.04 2 569 55 57 TYR HD1 H 6.800 0.04 1 570 55 57 TYR HE1 H 6.645 0.04 1 571 55 57 TYR C C 176.184 0.4 1 572 55 57 TYR CA C 55.940 0.40 1 573 55 57 TYR CB C 40.759 0.40 1 574 55 57 TYR CD1 C 132.912 0.40 1 575 55 57 TYR CE1 C 118.380 0.40 1 576 55 57 TYR N N 120.238 0.40 1 577 56 58 THR H H 8.952 0.04 1 578 56 58 THR HA H 4.441 0.04 1 579 56 58 THR HB H 3.936 0.04 1 580 56 58 THR HG2 H 0.977 0.04 1 581 56 58 THR CA C 62.560 0.40 1 582 56 58 THR CB C 70.049 0.40 1 583 56 58 THR CG2 C 21.939 0.40 1 584 56 58 THR N N 119.163 0.40 1 585 57 59 VAL H H 8.635 0.04 1 586 57 59 VAL HA H 4.837 0.04 1 587 57 59 VAL HB H 1.904 0.04 1 588 57 59 VAL HG1 H 0.963 0.04 1 589 57 59 VAL HG2 H 0.846 0.04 1 590 57 59 VAL C C 175.156 0.4 1 591 57 59 VAL CA C 62.006 0.40 1 592 57 59 VAL CB C 33.115 0.40 1 593 57 59 VAL CG1 C 22.034 0.40 1 594 57 59 VAL CG2 C 21.483 0.40 1 595 57 59 VAL N N 126.850 0.40 1 596 58 60 PHE H H 9.474 0.04 1 597 58 60 PHE HA H 4.740 0.04 1 598 58 60 PHE HB2 H 3.137 0.04 2 599 58 60 PHE HB3 H 2.950 0.04 2 600 58 60 PHE HD1 H 7.343 0.04 1 601 58 60 PHE HE1 H 7.134 0.04 1 602 58 60 PHE HZ H 7.063 0.04 1 603 58 60 PHE C C 174.093 0.4 1 604 58 60 PHE CA C 56.794 0.40 1 605 58 60 PHE CB C 42.521 0.40 1 606 58 60 PHE CD1 C 132.056 0.40 1 607 58 60 PHE CE1 C 131.078 0.40 1 608 58 60 PHE CZ C 129.444 0.40 1 609 58 60 PHE N N 126.540 0.40 1 610 59 61 LYS H H 8.843 0.04 1 611 59 61 LYS HA H 5.089 0.04 1 612 59 61 LYS HB2 H 1.724 0.04 2 613 59 61 LYS HB3 H 1.670 0.04 2 614 59 61 LYS HD2 H 1.366 0.04 2 615 59 61 LYS HD3 H 1.366 0.04 2 616 59 61 LYS HE2 H 2.392 0.04 2 617 59 61 LYS HE3 H 2.257 0.04 2 618 59 61 LYS HG2 H 1.320 0.04 2 619 59 61 LYS HG3 H 1.092 0.04 2 620 59 61 LYS C C 176.230 0.4 1 621 59 61 LYS CA C 55.651 0.40 1 622 59 61 LYS CB C 33.115 0.40 1 623 59 61 LYS CD C 29.258 0.40 1 624 59 61 LYS CE C 41.110 0.40 1 625 59 61 LYS CG C 24.957 0.40 1 626 59 61 LYS N N 125.434 0.40 1 627 60 62 VAL H H 8.988 0.04 1 628 60 62 VAL HA H 4.913 0.04 1 629 60 62 VAL HB H 2.064 0.04 1 630 60 62 VAL HG1 H 1.010 0.04 1 631 60 62 VAL HG2 H 0.781 0.04 1 632 60 62 VAL C C 175.378 0.4 1 633 60 62 VAL CA C 59.013 0.40 1 634 60 62 VAL CB C 35.897 0.40 1 635 60 62 VAL CG1 C 21.801 0.40 1 636 60 62 VAL CG2 C 20.770 0.40 1 637 60 62 VAL N N 122.301 0.40 1 638 61 63 LEU H H 9.183 0.04 1 639 61 63 LEU HA H 4.033 0.04 1 640 61 63 LEU HB2 H 1.634 0.04 2 641 61 63 LEU HB3 H 1.416 0.04 2 642 61 63 LEU HD1 H 0.826 0.04 1 643 61 63 LEU HD2 H 0.292 0.04 1 644 61 63 LEU HG H 1.527 0.04 1 645 61 63 LEU C C 179.575 0.4 1 646 61 63 LEU CA C 55.342 0.40 1 647 61 63 LEU CB C 41.771 0.40 1 648 61 63 LEU CD1 C 25.212 0.40 1 649 61 63 LEU CD2 C 23.464 0.40 1 650 61 63 LEU CG C 27.041 0.40 1 651 61 63 LEU N N 126.588 0.40 1 652 62 64 LYS H H 8.821 0.04 1 653 62 64 LYS HA H 3.626 0.04 1 654 62 64 LYS HB2 H 1.588 0.04 2 655 62 64 LYS HB3 H 1.588 0.04 2 656 62 64 LYS HD2 H 1.609 0.04 2 657 62 64 LYS HD3 H 1.609 0.04 2 658 62 64 LYS HE2 H 2.831 0.04 2 659 62 64 LYS HE3 H 2.831 0.04 2 660 62 64 LYS HG2 H 1.133 0.04 2 661 62 64 LYS HG3 H 1.068 0.04 2 662 62 64 LYS C C 175.659 0.4 1 663 62 64 LYS CA C 60.463 0.40 1 664 62 64 LYS CB C 33.089 0.40 1 665 62 64 LYS CD C 29.906 0.40 1 666 62 64 LYS CE C 41.835 0.40 1 667 62 64 LYS CG C 27.830 0.40 1 668 62 64 LYS N N 125.807 0.40 1 669 63 65 ASN H H 7.655 0.04 1 670 63 65 ASN HA H 4.776 0.04 1 671 63 65 ASN HB2 H 2.897 0.04 2 672 63 65 ASN HB3 H 2.735 0.04 2 673 63 65 ASN HD21 H 6.717 0.04 1 674 63 65 ASN HD22 H 7.417 0.04 2 675 63 65 ASN C C 175.452 0.4 1 676 63 65 ASN CA C 52.107 0.40 1 677 63 65 ASN CB C 37.747 0.40 1 678 63 65 ASN N N 109.690 0.40 1 679 63 65 ASN ND2 N 110.806 0.04 2 680 64 66 SER H H 7.501 0.04 1 681 64 66 SER HA H 4.532 0.04 1 682 64 66 SER HB2 H 4.029 0.04 2 683 64 66 SER HB3 H 4.110 0.04 2 684 64 66 SER C C 173.228 0.4 1 685 64 66 SER CA C 58.401 0.40 1 686 64 66 SER CB C 64.932 0.40 1 687 64 66 SER N N 115.306 0.40 1 688 65 67 SER H H 8.718 0.04 1 689 65 67 SER HA H 5.092 0.04 1 690 65 67 SER HB2 H 3.956 0.04 2 691 65 67 SER HB3 H 3.956 0.04 2 692 65 67 SER CA C 57.367 0.40 1 693 65 67 SER CB C 66.425 0.40 1 694 65 67 SER N N 116.580 0.40 1 695 66 68 LEU H H 8.283 0.04 1 696 66 68 LEU HA H 4.590 0.04 1 697 66 68 LEU HB2 H 2.115 0.04 2 698 66 68 LEU HB3 H 1.520 0.04 2 699 66 68 LEU HD1 H 0.816 0.04 1 700 66 68 LEU HD2 H 0.987 0.04 1 701 66 68 LEU C C 178.770 0.4 1 702 66 68 LEU CA C 58.020 0.40 1 703 66 68 LEU CB C 40.038 0.40 1 704 66 68 LEU CD1 C 26.294 0.40 1 705 66 68 LEU CD2 C 23.256 0.40 1 706 66 68 LEU N N 123.923 0.40 1 707 67 69 ALA H H 9.676 0.04 1 708 67 69 ALA HA H 4.124 0.04 1 709 67 69 ALA HB H 1.371 0.04 1 710 67 69 ALA C C 169.558 0.4 1 711 67 69 ALA CA C 55.505 0.40 1 712 67 69 ALA CB C 18.019 0.40 1 713 67 69 ALA N N 121.755 0.40 1 714 68 70 GLU H H 7.857 0.04 1 715 68 70 GLU HA H 4.001 0.04 1 716 68 70 GLU HB2 H 2.173 0.04 2 717 68 70 GLU HB3 H 2.399 0.04 2 718 68 70 GLU HG2 H 2.346 0.04 2 719 68 70 GLU HG3 H 2.346 0.04 2 720 68 70 GLU C C 179.062 0.4 1 721 68 70 GLU CA C 59.192 0.40 1 722 68 70 GLU CB C 29.803 0.40 1 723 68 70 GLU CG C 37.558 0.40 1 724 68 70 GLU N N 118.006 0.40 1 725 69 71 PHE H H 8.069 0.04 1 726 69 71 PHE HA H 4.374 0.04 1 727 69 71 PHE HB2 H 3.694 0.04 2 728 69 71 PHE HB3 H 3.301 0.04 2 729 69 71 PHE HD1 H 7.022 0.04 1 730 69 71 PHE HE1 H 7.008 0.04 1 731 69 71 PHE HZ H 7.282 0.04 1 732 69 71 PHE C C 177.441 0.4 1 733 69 71 PHE CA C 61.150 0.40 1 734 69 71 PHE CB C 39.081 0.40 1 735 69 71 PHE CD1 C 131.514 0.40 1 736 69 71 PHE CE1 C 131.066 0.40 1 737 69 71 PHE CZ C 130.035 0.40 1 738 69 71 PHE N N 123.519 0.40 1 739 70 72 VAL H H 9.133 0.04 1 740 70 72 VAL HA H 3.097 0.04 1 741 70 72 VAL HB H 2.082 0.04 1 742 70 72 VAL HG1 H 0.895 0.04 1 743 70 72 VAL HG2 H 0.932 0.04 1 744 70 72 VAL C C 178.132 0.4 1 745 70 72 VAL CA C 67.246 0.40 1 746 70 72 VAL CB C 31.272 0.40 1 747 70 72 VAL CG1 C 21.565 0.40 1 748 70 72 VAL CG2 C 23.307 0.40 1 749 70 72 VAL N N 120.101 0.40 1 750 71 73 GLN H H 7.715 0.04 1 751 71 73 GLN HA H 3.889 0.04 1 752 71 73 GLN HB2 H 2.169 0.04 2 753 71 73 GLN HB3 H 2.169 0.04 2 754 71 73 GLN HE21 H 6.811 0.04 1 755 71 73 GLN HE22 H 7.459 0.04 2 756 71 73 GLN HG2 H 2.430 0.04 2 757 71 73 GLN HG3 H 2.357 0.04 2 758 71 73 GLN C C 178.347 0.4 1 759 71 73 GLN CA C 59.489 0.40 1 760 71 73 GLN CB C 28.004 0.40 1 761 71 73 GLN CG C 33.709 0.40 1 762 71 73 GLN N N 118.877 0.40 1 763 71 73 GLN NE2 N 111.425 0.04 2 764 72 74 SER H H 7.857 0.04 1 765 72 74 SER HA H 4.249 0.04 1 766 72 74 SER HB2 H 4.002 0.04 2 767 72 74 SER HB3 H 3.933 0.04 2 768 72 74 SER C C 177.487 0.4 1 769 72 74 SER CA C 61.530 0.40 1 770 72 74 SER CB C 62.635 0.40 1 771 72 74 SER N N 116.448 0.40 1 772 73 75 LEU H H 8.578 0.04 1 773 73 75 LEU HA H 3.639 0.04 1 774 73 75 LEU HB2 H 1.103 0.04 2 775 73 75 LEU HB3 H 1.057 0.04 2 776 73 75 LEU HD1 H 0.397 0.04 1 777 73 75 LEU HD2 H 0.338 0.04 1 778 73 75 LEU HG H 0.939 0.04 1 779 73 75 LEU C C 178.866 0.4 1 780 73 75 LEU CA C 58.060 0.40 1 781 73 75 LEU CB C 41.748 0.40 1 782 73 75 LEU CD1 C 26.402 0.40 1 783 73 75 LEU CD2 C 24.678 0.40 1 784 73 75 LEU CG C 26.115 0.40 1 785 73 75 LEU N N 124.528 0.40 1 786 74 76 SER H H 8.217 0.04 1 787 74 76 SER HA H 4.211 0.04 1 788 74 76 SER HB2 H 4.005 0.04 2 789 74 76 SER HB3 H 3.951 0.04 2 790 74 76 SER C C 177.832 0.4 1 791 74 76 SER CA C 61.264 0.40 1 792 74 76 SER CB C 63.366 0.40 1 793 74 76 SER N N 113.868 0.40 1 794 75 77 GLN H H 7.948 0.04 1 795 75 77 GLN HA H 4.067 0.04 1 796 75 77 GLN HB2 H 2.171 0.04 2 797 75 77 GLN HB3 H 2.226 0.04 2 798 75 77 GLN HE21 H 6.830 0.04 1 799 75 77 GLN HE22 H 7.459 0.04 2 800 75 77 GLN HG2 H 2.537 0.04 2 801 75 77 GLN HG3 H 2.442 0.04 2 802 75 77 GLN C C 176.382 0.4 1 803 75 77 GLN CA C 58.291 0.40 1 804 75 77 GLN CB C 28.688 0.40 1 805 75 77 GLN CG C 33.897 0.40 1 806 75 77 GLN N N 118.456 0.40 1 807 75 77 GLN NE2 N 111.571 0.04 2 808 76 78 THR H H 8.298 0.04 1 809 76 78 THR HA H 4.086 0.04 1 810 76 78 THR HB H 4.206 0.04 1 811 76 78 THR HG2 H 1.329 0.04 1 812 76 78 THR C C 176.032 0.4 1 813 76 78 THR CA C 65.864 0.40 1 814 76 78 THR CB C 69.456 0.40 1 815 76 78 THR CG2 C 21.268 0.40 1 816 76 78 THR N N 114.049 0.40 1 817 77 79 MET H H 8.534 0.04 1 818 77 79 MET HA H 4.379 0.04 1 819 77 79 MET HB2 H 1.957 0.04 2 820 77 79 MET HB3 H 1.774 0.04 2 821 77 79 MET HE H 2.074 0.04 1 822 77 79 MET HG2 H 2.571 0.04 2 823 77 79 MET HG3 H 2.571 0.04 2 824 77 79 MET C C 176.647 0.4 1 825 77 79 MET CA C 56.178 0.40 1 826 77 79 MET CB C 33.404 0.40 1 827 77 79 MET CE C 17.124 0.40 1 828 77 79 MET CG C 33.422 0.40 1 829 77 79 MET N N 116.520 0.40 1 830 78 80 GLY H H 7.537 0.04 1 831 78 80 GLY HA2 H 3.857 0.04 2 832 78 80 GLY HA3 H 3.771 0.04 2 833 78 80 GLY C C 174.137 0.4 1 834 78 80 GLY CA C 46.294 0.40 1 835 78 80 GLY N N 106.682 0.40 1 836 79 81 PHE H H 6.918 0.04 1 837 79 81 PHE HA H 5.074 0.04 1 838 79 81 PHE HB2 H 3.007 0.04 2 839 79 81 PHE HB3 H 2.417 0.04 2 840 79 81 PHE HD1 H 7.007 0.04 2 841 79 81 PHE HD2 H 7.007 0.04 2 842 79 81 PHE HZ H 7.288 0.04 1 843 79 81 PHE CA C 53.776 0.40 1 844 79 81 PHE CB C 40.659 0.40 1 845 79 81 PHE CD1 C 131.129 0.40 1 846 79 81 PHE CZ C 131.840 0.40 1 847 79 81 PHE N N 117.698 0.40 1 848 80 82 PRO HA H 4.419 0.04 1 849 80 82 PRO HB2 H 2.408 0.04 2 850 80 82 PRO HB3 H 1.934 0.04 2 851 80 82 PRO HD2 H 3.559 0.04 2 852 80 82 PRO HD3 H 3.973 0.04 2 853 80 82 PRO HG2 H 2.070 0.04 2 854 80 82 PRO HG3 H 2.024 0.04 2 855 80 82 PRO C C 178.071 0.4 1 856 80 82 PRO CA C 62.562 0.40 1 857 80 82 PRO CB C 32.256 0.40 1 858 80 82 PRO CD C 50.695 0.40 1 859 80 82 PRO CG C 27.763 0.40 1 860 81 83 GLN H H 8.872 0.04 1 861 81 83 GLN HA H 3.745 0.04 1 862 81 83 GLN HB2 H 2.053 0.04 2 863 81 83 GLN HB3 H 2.053 0.04 2 864 81 83 GLN HE21 H 6.889 0.04 1 865 81 83 GLN HE22 H 7.576 0.04 2 866 81 83 GLN HG2 H 2.407 0.04 2 867 81 83 GLN HG3 H 2.287 0.04 2 868 81 83 GLN C C 177.167 0.4 1 869 81 83 GLN CA C 59.764 0.40 1 870 81 83 GLN CB C 28.574 0.40 1 871 81 83 GLN CG C 34.095 0.40 1 872 81 83 GLN N N 122.188 0.40 1 873 81 83 GLN NE2 N 111.416 0.04 2 874 82 84 ASP H H 8.428 0.04 1 875 82 84 ASP HA H 4.406 0.04 1 876 82 84 ASP HB2 H 2.768 0.04 2 877 82 84 ASP HB3 H 2.632 0.04 2 878 82 84 ASP C C 176.584 0.4 1 879 82 84 ASP CA C 54.721 0.40 1 880 82 84 ASP CB C 39.639 0.40 1 881 82 84 ASP N N 114.049 0.40 1 882 83 85 GLN H H 7.707 0.04 1 883 83 85 GLN HA H 4.314 0.04 1 884 83 85 GLN HB2 H 2.369 0.04 2 885 83 85 GLN HB3 H 1.807 0.04 2 886 83 85 GLN HE21 H 6.755 0.04 1 887 83 85 GLN HE22 H 7.708 0.04 2 888 83 85 GLN HG2 H 2.358 0.04 2 889 83 85 GLN HG3 H 2.358 0.04 2 890 83 85 GLN C C 175.118 0.4 1 891 83 85 GLN CA C 54.858 0.40 1 892 83 85 GLN CB C 29.962 0.40 1 893 83 85 GLN CG C 33.871 0.40 1 894 83 85 GLN N N 117.271 0.40 1 895 83 85 GLN NE2 N 112.248 0.04 2 896 84 86 ILE H H 6.937 0.04 1 897 84 86 ILE HA H 3.766 0.04 1 898 84 86 ILE HB H 1.834 0.04 1 899 84 86 ILE HD1 H 0.690 0.04 1 900 84 86 ILE HG12 H 1.628 0.04 2 901 84 86 ILE HG13 H 0.944 0.04 2 902 84 86 ILE HG2 H 0.679 0.04 1 903 84 86 ILE C C 174.750 0.4 1 904 84 86 ILE CA C 61.686 0.40 1 905 84 86 ILE CB C 37.463 0.40 1 906 84 86 ILE CD1 C 13.088 0.40 1 907 84 86 ILE CG1 C 27.407 0.40 1 908 84 86 ILE CG2 C 17.201 0.40 1 909 84 86 ILE N N 119.517 0.40 1 910 85 87 ARG H H 8.227 0.04 1 911 85 87 ARG HA H 4.679 0.04 1 912 85 87 ARG HB2 H 2.036 0.04 2 913 85 87 ARG HB3 H 1.907 0.04 2 914 85 87 ARG HD2 H 3.222 0.04 2 915 85 87 ARG HD3 H 3.172 0.04 2 916 85 87 ARG HG2 H 1.433 0.04 2 917 85 87 ARG HG3 H 1.433 0.04 2 918 85 87 ARG C C 174.298 0.4 1 919 85 87 ARG CA C 55.185 0.40 1 920 85 87 ARG CB C 32.669 0.40 1 921 85 87 ARG CD C 43.748 0.40 1 922 85 87 ARG CG C 27.229 0.40 1 923 85 87 ARG N N 130.650 0.40 1 924 86 88 LEU H H 9.257 0.04 1 925 86 88 LEU HA H 5.011 0.04 1 926 86 88 LEU HB2 H 1.861 0.04 2 927 86 88 LEU HB3 H 1.010 0.04 2 928 86 88 LEU HD1 H 0.754 0.04 1 929 86 88 LEU HD2 H 0.625 0.04 1 930 86 88 LEU C C 174.908 0.4 1 931 86 88 LEU CA C 53.191 0.40 1 932 86 88 LEU CB C 44.095 0.40 1 933 86 88 LEU CD1 C 26.039 0.40 1 934 86 88 LEU CD2 C 23.443 0.40 1 935 86 88 LEU N N 123.641 0.40 1 936 87 89 TRP H H 9.430 0.04 1 937 87 89 TRP HA H 5.113 0.04 1 938 87 89 TRP HB2 H 3.364 0.04 2 939 87 89 TRP HB3 H 3.211 0.04 2 940 87 89 TRP HD1 H 7.079 0.04 1 941 87 89 TRP HE1 H 10.456 0.04 1 942 87 89 TRP HE3 H 7.012 0.04 2 943 87 89 TRP HH2 H 7.171 0.04 2 944 87 89 TRP HZ2 H 7.491 0.04 2 945 87 89 TRP HZ3 H 7.473 0.04 2 946 87 89 TRP CA C 53.130 0.40 1 947 87 89 TRP CB C 29.943 0.40 1 948 87 89 TRP CD1 C 127.043 0.40 1 949 87 89 TRP CE3 C 122.199 0.40 1 950 87 89 TRP CH2 C 124.294 0.40 1 951 87 89 TRP CZ2 C 115.196 0.40 1 952 87 89 TRP CZ3 C 120.439 0.40 1 953 87 89 TRP N N 123.877 0.40 1 954 87 89 TRP NE1 N 131.328 0.04 1 955 88 90 PRO HA H 4.337 0.04 1 956 88 90 PRO HB2 H 2.537 0.04 2 957 88 90 PRO HB3 H 2.243 0.04 2 958 88 90 PRO HD2 H 3.835 0.04 2 959 88 90 PRO HD3 H 4.030 0.04 2 960 88 90 PRO HG2 H 1.796 0.04 2 961 88 90 PRO HG3 H 2.416 0.04 2 962 88 90 PRO C C 176.018 0.4 1 963 88 90 PRO CA C 63.220 0.40 1 964 88 90 PRO CB C 32.611 0.40 1 965 88 90 PRO CD C 50.894 0.40 1 966 88 90 PRO CG C 28.404 0.40 1 967 89 91 MET H H 8.534 0.04 1 968 89 91 MET HA H 4.658 0.04 1 969 89 91 MET HB2 H 2.069 0.04 2 970 89 91 MET HB3 H 1.802 0.04 2 971 89 91 MET HE H 1.987 0.04 1 972 89 91 MET HG2 H 2.505 0.04 2 973 89 91 MET HG3 H 2.505 0.04 2 974 89 91 MET C C 176.389 0.4 1 975 89 91 MET CA C 55.424 0.40 1 976 89 91 MET CB C 33.786 0.40 1 977 89 91 MET CE C 17.437 0.40 1 978 89 91 MET CG C 32.217 0.40 1 979 89 91 MET N N 122.113 0.40 1 980 90 92 GLN H H 8.787 0.04 1 981 90 92 GLN HA H 4.557 0.04 1 982 90 92 GLN HB2 H 2.040 0.04 2 983 90 92 GLN HB3 H 2.174 0.04 2 984 90 92 GLN HE21 H 7.649 0.04 1 985 90 92 GLN HE22 H 6.901 0.04 2 986 90 92 GLN HG2 H 2.438 0.04 2 987 90 92 GLN HG3 H 2.438 0.04 2 988 90 92 GLN C C 175.695 0.4 1 989 90 92 GLN CA C 55.571 0.40 1 990 90 92 GLN CB C 30.058 0.40 1 991 90 92 GLN CG C 33.747 0.40 1 992 90 92 GLN N N 123.064 0.40 1 993 90 92 GLN NE2 N 112.266 0.04 2 994 91 93 ALA H H 8.866 0.04 1 995 91 93 ALA HA H 4.408 0.04 1 996 91 93 ALA HB H 1.461 0.04 1 997 91 93 ALA CA C 52.575 0.40 1 998 91 93 ALA CB C 19.457 0.40 1 999 91 93 ALA N N 127.068 0.40 1 1000 92 94 ARG H H 8.454 0.04 1 1001 92 94 ARG HA H 4.387 0.04 1 1002 92 94 ARG HB2 H 1.911 0.04 2 1003 92 94 ARG HB3 H 1.819 0.04 2 1004 92 94 ARG HD2 H 3.200 0.04 2 1005 92 94 ARG HD3 H 3.200 0.04 2 1006 92 94 ARG HG2 H 1.689 0.04 2 1007 92 94 ARG HG3 H 1.634 0.04 2 1008 92 94 ARG CA C 56.177 0.40 1 1009 92 94 ARG CB C 30.792 0.40 1 1010 92 94 ARG CD C 43.186 0.40 1 1011 92 94 ARG CG C 27.009 0.40 1 1012 92 94 ARG N N 119.642 0.40 1 1013 93 95 SER H H 8.286 0.04 1 1014 93 95 SER HA H 4.508 0.04 1 1015 93 95 SER HB2 H 3.883 0.04 2 1016 93 95 SER HB3 H 3.865 0.04 2 1017 93 95 SER C C 173.425 0.4 1 1018 93 95 SER CA C 57.870 0.40 1 1019 93 95 SER CB C 63.949 0.40 1 1020 93 95 SER N N 116.148 0.40 1 1021 94 96 ASN H H 8.058 0.04 1 1022 94 96 ASN HA H 4.526 0.04 1 1023 94 96 ASN HB2 H 2.728 0.04 2 1024 94 96 ASN HB3 H 2.832 0.04 2 1025 94 96 ASN CA C 54.755 0.40 1 1026 94 96 ASN CB C 40.690 0.40 1 1027 94 96 ASN N N 125.806 0.40 1 1028 95 97 GLY H H 8.319 0.04 1 1029 95 97 GLY HA2 H 4.045 0.04 2 1030 95 97 GLY HA3 H 3.935 0.04 2 1031 95 97 GLY C C 174.513 0.4 1 1032 95 97 GLY CA C 45.619 0.40 1 1033 95 97 GLY N N 114.232 0.40 1 1034 96 98 THR H H 8.011 0.04 1 1035 96 98 THR HA H 4.338 0.04 1 1036 96 98 THR HB H 4.236 0.04 1 1037 96 98 THR HG2 H 1.190 0.04 1 1038 96 98 THR C C 174.587 0.4 1 1039 96 98 THR CA C 61.894 0.40 1 1040 96 98 THR CB C 69.722 0.40 1 1041 96 98 THR CG2 C 21.560 0.40 1 1042 96 98 THR N N 113.345 0.40 1 1043 97 99 LYS H H 8.231 0.04 1 1044 97 99 LYS HA H 4.404 0.04 1 1045 97 99 LYS HB2 H 1.803 0.04 2 1046 97 99 LYS HB3 H 1.702 0.04 2 1047 97 99 LYS HD2 H 1.530 0.04 2 1048 97 99 LYS HD3 H 1.530 0.04 2 1049 97 99 LYS HE2 H 2.837 0.04 2 1050 97 99 LYS HE3 H 2.837 0.04 2 1051 97 99 LYS HG2 H 1.397 0.04 2 1052 97 99 LYS HG3 H 1.397 0.04 2 1053 97 99 LYS C C 176.183 0.4 1 1054 97 99 LYS CA C 56.142 0.40 1 1055 97 99 LYS CB C 33.349 0.40 1 1056 97 99 LYS CD C 28.979 0.40 1 1057 97 99 LYS CE C 41.946 0.40 1 1058 97 99 LYS CG C 24.755 0.40 1 1059 97 99 LYS N N 123.631 0.40 1 1060 98 100 ARG H H 8.430 0.04 1 1061 98 100 ARG HA H 4.645 0.04 1 1062 98 100 ARG HB2 H 1.772 0.04 2 1063 98 100 ARG HB3 H 1.772 0.04 2 1064 98 100 ARG HD2 H 3.095 0.04 2 1065 98 100 ARG HD3 H 3.095 0.04 2 1066 98 100 ARG CA C 54.074 0.40 1 1067 98 100 ARG CB C 30.243 0.40 1 1068 98 100 ARG CD C 43.478 0.40 1 1069 98 100 ARG N N 122.991 0.40 1 1070 99 101 PRO HA H 4.526 0.04 1 1071 99 101 PRO HB2 H 2.416 0.04 2 1072 99 101 PRO HB3 H 2.028 0.04 2 1073 99 101 PRO HD2 H 3.699 0.04 2 1074 99 101 PRO HD3 H 3.846 0.04 2 1075 99 101 PRO HG2 H 2.001 0.04 2 1076 99 101 PRO HG3 H 2.062 0.04 2 1077 99 101 PRO CA C 63.56 0.40 1 1078 99 101 PRO CB C 32.385 0.40 1 1079 99 101 PRO CD C 50.655 0.40 1 1080 99 101 PRO CG C 27.572 0.40 1 1081 100 102 ALA HA H 4.536 0.04 1 1082 100 102 ALA HB H 1.380 0.04 1 1083 100 102 ALA C C 175.714 0.4 1 1084 100 102 ALA CA C 51.512 0.40 1 1085 100 102 ALA CB C 20.733 0.40 1 1086 101 103 MET H H 7.612 0.04 1 1087 101 103 MET HA H 3.717 0.04 1 1088 101 103 MET HB2 H 0.960 0.04 2 1089 101 103 MET HB3 H 0.270 0.04 2 1090 101 103 MET HE H 1.916 0.04 1 1091 101 103 MET HG2 H 1.999 0.04 2 1092 101 103 MET HG3 H 0.954 0.04 2 1093 101 103 MET CA C 54.873 0.40 1 1094 101 103 MET CB C 33.724 0.40 1 1095 101 103 MET CE C 16.951 0.40 1 1096 101 103 MET CG C 30.300 0.40 1 1097 101 103 MET N N 122.076 0.40 1 1098 102 104 LEU HA H 4.152 0.04 1 1099 102 104 LEU HB2 H 1.835 0.04 2 1100 102 104 LEU HB3 H 1.218 0.04 2 1101 102 104 LEU HD1 H 0.904 0.04 1 1102 102 104 LEU HD2 H 1.053 0.04 1 1103 102 104 LEU HG H 1.520 0.04 1 1104 102 104 LEU C C 176.087 0.4 1 1105 102 104 LEU CA C 55.433 0.40 1 1106 102 104 LEU CB C 41.733 0.40 1 1107 102 104 LEU CD1 C 25.920 0.40 1 1108 102 104 LEU CD2 C 23.473 0.40 1 1109 102 104 LEU CG C 27.136 0.40 1 1110 103 105 ASP H H 9.158 0.04 1 1111 103 105 ASP HA H 4.743 0.04 1 1112 103 105 ASP HB2 H 2.843 0.04 2 1113 103 105 ASP HB3 H 2.391 0.04 2 1114 103 105 ASP C C 175.646 0.4 1 1115 103 105 ASP CA C 51.948 0.40 1 1116 103 105 ASP CB C 42.315 0.40 1 1117 103 105 ASP N N 124.198 0.40 1 1118 104 106 ASN H H 8.666 0.04 1 1119 104 106 ASN HA H 4.099 0.04 1 1120 104 106 ASN HB2 H 2.731 0.04 2 1121 104 106 ASN HB3 H 2.705 0.04 2 1122 104 106 ASN HD21 H 6.428 0.04 1 1123 104 106 ASN HD22 H 7.392 0.04 2 1124 104 106 ASN C C 176.782 0.4 1 1125 104 106 ASN CA C 56.084 0.40 1 1126 104 106 ASN CB C 37.448 0.40 1 1127 104 106 ASN N N 124.262 0.40 1 1128 104 106 ASN ND2 N 108.119 0.04 2 1129 105 107 GLU H H 7.942 0.04 1 1130 105 107 GLU HA H 4.243 0.04 1 1131 105 107 GLU HB2 H 2.039 0.04 2 1132 105 107 GLU HB3 H 2.039 0.04 2 1133 105 107 GLU HG2 H 2.305 0.04 2 1134 105 107 GLU HG3 H 2.305 0.04 2 1135 105 107 GLU C C 178.555 0.4 1 1136 105 107 GLU CA C 58.080 0.40 1 1137 105 107 GLU CB C 30.155 0.40 1 1138 105 107 GLU CG C 35.665 0.40 1 1139 105 107 GLU N N 116.200 0.40 1 1140 106 108 ALA H H 8.175 0.04 1 1141 106 108 ALA HA H 4.145 0.04 1 1142 106 108 ALA HB H 1.326 0.04 1 1143 106 108 ALA C C 179.797 0.4 1 1144 106 108 ALA CA C 54.452 0.40 1 1145 106 108 ALA CB C 18.870 0.40 1 1146 106 108 ALA N N 123.184 0.40 1 1147 107 109 ASP H H 8.713 0.04 1 1148 107 109 ASP HA H 4.892 0.04 1 1149 107 109 ASP HB2 H 2.898 0.04 2 1150 107 109 ASP HB3 H 2.724 0.04 2 1151 107 109 ASP C C 177.197 0.4 1 1152 107 109 ASP CA C 54.519 0.40 1 1153 107 109 ASP CB C 41.848 0.40 1 1154 107 109 ASP N N 114.577 0.40 1 1155 108 110 GLY H H 7.184 0.04 1 1156 108 110 GLY HA2 H 4.095 0.04 2 1157 108 110 GLY HA3 H 3.739 0.04 2 1158 108 110 GLY C C 173.912 0.4 1 1159 108 110 GLY CA C 47.835 0.40 1 1160 108 110 GLY N N 105.313 0.40 1 1161 109 111 ASN H H 8.292 0.04 1 1162 109 111 ASN HA H 4.930 0.04 1 1163 109 111 ASN HB2 H 2.889 0.04 2 1164 109 111 ASN HB3 H 2.783 0.04 2 1165 109 111 ASN HD21 H 6.896 0.04 1 1166 109 111 ASN HD22 H 7.571 0.04 2 1167 109 111 ASN C C 176.234 0.4 1 1168 109 111 ASN CA C 52.742 0.40 1 1169 109 111 ASN CB C 38.471 0.40 1 1170 109 111 ASN N N 113.263 0.40 1 1171 109 111 ASN ND2 N 112.888 0.04 2 1172 110 112 LYS H H 7.849 0.04 1 1173 110 112 LYS HA H 4.325 0.04 1 1174 110 112 LYS HB2 H 2.085 0.04 2 1175 110 112 LYS HB3 H 2.085 0.04 2 1176 110 112 LYS HD2 H 1.665 0.04 2 1177 110 112 LYS HD3 H 1.665 0.04 2 1178 110 112 LYS HE2 H 3.049 0.04 2 1179 110 112 LYS HE3 H 3.049 0.04 2 1180 110 112 LYS HG2 H 1.571 0.04 2 1181 110 112 LYS HG3 H 1.440 0.04 2 1182 110 112 LYS CA C 56.371 0.40 1 1183 110 112 LYS CB C 33.374 0.40 1 1184 110 112 LYS CD C 29.903 0.40 1 1185 110 112 LYS CE C 42.520 0.40 1 1186 110 112 LYS CG C 26.358 0.40 1 1187 110 112 LYS N N 122.460 0.40 1 1188 111 113 THR HA H 4.752 0.04 1 1189 111 113 THR HB H 4.741 0.04 1 1190 111 113 THR HG2 H 1.189 0.04 1 1191 111 113 THR C C 176.189 0.4 1 1192 111 113 THR CA C 60.370 0.40 1 1193 111 113 THR CB C 70.868 0.40 1 1194 111 113 THR CG2 C 21.903 0.40 1 1195 112 114 MET H H 8.490 0.04 1 1196 112 114 MET HA H 4.328 0.04 1 1197 112 114 MET HB2 H 2.045 0.04 2 1198 112 114 MET HB3 H 1.877 0.04 2 1199 112 114 MET HE H 1.358 0.04 1 1200 112 114 MET C C 179.095 0.4 1 1201 112 114 MET CA C 56.400 0.40 1 1202 112 114 MET CB C 30.369 0.40 1 1203 112 114 MET CE C 17.238 0.40 1 1204 112 114 MET N N 120.065 0.40 1 1205 113 115 ILE H H 8.197 0.04 1 1206 113 115 ILE HA H 4.116 0.04 1 1207 113 115 ILE HB H 1.556 0.04 1 1208 113 115 ILE HD1 H 0.806 0.04 1 1209 113 115 ILE HG12 H 1.309 0.04 2 1210 113 115 ILE HG13 H 1.199 0.04 2 1211 113 115 ILE HG2 H 0.840 0.04 1 1212 113 115 ILE C C 177.296 0.4 1 1213 113 115 ILE CA C 60.277 0.40 1 1214 113 115 ILE CB C 38.204 0.40 1 1215 113 115 ILE CD1 C 13.946 0.40 1 1216 113 115 ILE CG1 C 29.046 0.40 1 1217 113 115 ILE CG2 C 18.417 0.40 1 1218 113 115 ILE N N 116.576 0.40 1 1219 114 116 GLU H H 7.347 0.04 1 1220 114 116 GLU HA H 4.079 0.04 1 1221 114 116 GLU HB2 H 2.147 0.04 2 1222 114 116 GLU HB3 H 1.961 0.04 2 1223 114 116 GLU HG2 H 2.306 0.04 2 1224 114 116 GLU HG3 H 2.117 0.04 2 1225 114 116 GLU CA C 58.681 0.40 1 1226 114 116 GLU CB C 29.367 0.40 1 1227 114 116 GLU CG C 36.613 0.40 1 1228 114 116 GLU N N 124.455 0.40 1 1229 115 117 LEU HA H 3.915 0.04 1 1230 115 117 LEU HB2 H 1.795 0.04 2 1231 115 117 LEU HB3 H 1.423 0.04 2 1232 115 117 LEU HD1 H 1.029 0.04 1 1233 115 117 LEU HD2 H 0.926 0.04 1 1234 115 117 LEU HG H 1.729 0.04 1 1235 115 117 LEU CA C 56.961 0.40 1 1236 115 117 LEU CB C 43.052 0.40 1 1237 115 117 LEU CD1 C 28.250 0.40 1 1238 115 117 LEU CD2 C 23.253 0.40 1 1239 115 117 LEU CG C 26.648 0.40 1 1240 116 118 SER HA H 2.380 0.04 1 1241 116 118 SER HB2 H 3.007 0.04 2 1242 116 118 SER HB3 H 2.393 0.04 2 1243 116 118 SER C C 175.713 0.4 1 1244 116 118 SER CA C 58.417 0.40 1 1245 116 118 SER CB C 63.020 0.40 1 1246 117 119 ASP H H 7.604 0.04 1 1247 117 119 ASP HA H 4.162 0.04 1 1248 117 119 ASP HB2 H 3.064 0.04 2 1249 117 119 ASP HB3 H 2.306 0.04 2 1250 117 119 ASP C C 175.433 0.4 1 1251 117 119 ASP CA C 55.057 0.40 1 1252 117 119 ASP CB C 39.614 0.40 1 1253 117 119 ASP N N 122.479 0.40 1 1254 118 120 ASN H H 7.871 0.04 1 1255 118 120 ASN HA H 3.952 0.04 1 1256 118 120 ASN HB2 H 2.993 0.04 2 1257 118 120 ASN HB3 H 2.805 0.04 2 1258 118 120 ASN HD21 H 6.669 0.04 1 1259 118 120 ASN HD22 H 7.436 0.04 2 1260 118 120 ASN C C 174.430 0.4 1 1261 118 120 ASN CA C 54.617 0.40 1 1262 118 120 ASN CB C 37.792 0.40 1 1263 118 120 ASN N N 109.037 0.40 1 1264 118 120 ASN ND2 N 112.778 0.04 2 1265 119 121 GLU H H 7.368 0.04 1 1266 119 121 GLU HA H 4.170 0.04 1 1267 119 121 GLU HB2 H 2.046 0.04 2 1268 119 121 GLU HB3 H 1.911 0.04 2 1269 119 121 GLU HG2 H 2.468 0.04 2 1270 119 121 GLU HG3 H 2.370 0.04 2 1271 119 121 GLU C C 175.495 0.4 1 1272 119 121 GLU CA C 56.768 0.40 1 1273 119 121 GLU CB C 30.200 0.40 1 1274 119 121 GLU CG C 36.270 0.40 1 1275 119 121 GLU N N 121.485 0.40 1 1276 120 122 ASN H H 7.985 0.04 1 1277 120 122 ASN HA H 4.843 0.04 1 1278 120 122 ASN HB2 H 2.689 0.04 2 1279 120 122 ASN HB3 H 2.850 0.04 2 1280 120 122 ASN HD21 H 7.150 0.04 1 1281 120 122 ASN HD22 H 7.849 0.04 2 1282 120 122 ASN CA C 50.255 0.40 1 1283 120 122 ASN CB C 40.230 0.40 1 1284 120 122 ASN N N 119.023 0.40 1 1285 120 122 ASN ND2 N 112.002 0.04 2 1286 121 123 PRO HA H 5.445 0.04 1 1287 121 123 PRO HB2 H 2.124 0.04 2 1288 121 123 PRO HB3 H 1.672 0.04 2 1289 121 123 PRO HD2 H 3.564 0.04 2 1290 121 123 PRO HD3 H 3.564 0.04 2 1291 121 123 PRO HG2 H 1.850 0.04 2 1292 121 123 PRO HG3 H 1.793 0.04 2 1293 121 123 PRO C C 175.300 0.4 1 1294 121 123 PRO CA C 62.779 0.40 1 1295 121 123 PRO CB C 34.919 0.40 1 1296 121 123 PRO CD C 50.363 0.40 1 1297 121 123 PRO CG C 25.297 0.40 1 1298 122 124 TRP H H 8.823 0.04 1 1299 122 124 TRP HA H 5.248 0.04 1 1300 122 124 TRP HB2 H 3.264 0.04 2 1301 122 124 TRP HB3 H 2.940 0.04 2 1302 122 124 TRP HD1 H 7.622 0.04 1 1303 122 124 TRP HE1 H 10.053 0.04 1 1304 122 124 TRP HE3 H 6.862 0.04 2 1305 122 124 TRP HH2 H 6.859 0.04 2 1306 122 124 TRP HZ2 H 7.161 0.04 2 1307 122 124 TRP HZ3 H 7.057 0.04 2 1308 122 124 TRP C C 174.918 0.4 1 1309 122 124 TRP CA C 53.800 0.40 1 1310 122 124 TRP CB C 31.210 0.40 1 1311 122 124 TRP CD1 C 125.815 0.40 1 1312 122 124 TRP CE3 C 121.552 0.40 1 1313 122 124 TRP CH2 C 124.810 0.40 1 1314 122 124 TRP CZ2 C 113.719 0.40 1 1315 122 124 TRP CZ3 C 119.994 0.40 1 1316 122 124 TRP N N 124.402 0.40 1 1317 122 124 TRP NE1 N 128.409 0.04 1 1318 123 125 THR H H 8.837 0.04 1 1319 123 125 THR HA H 5.100 0.04 1 1320 123 125 THR HB H 3.944 0.04 1 1321 123 125 THR HG2 H 1.051 0.04 1 1322 123 125 THR C C 172.504 0.4 1 1323 123 125 THR CA C 62.521 0.40 1 1324 123 125 THR CB C 68.953 0.40 1 1325 123 125 THR CG2 C 22.191 0.40 1 1326 123 125 THR N N 127.087 0.40 1 1327 124 126 ILE H H 8.758 0.04 1 1328 124 126 ILE HA H 4.081 0.04 1 1329 124 126 ILE HB H 1.171 0.04 1 1330 124 126 ILE HD1 H -0.436 0.04 1 1331 124 126 ILE HG12 H 0.512 0.04 2 1332 124 126 ILE HG13 H -0.393 0.04 2 1333 124 126 ILE HG2 H 0.312 0.04 1 1334 124 126 ILE C C 175.390 0.4 1 1335 124 126 ILE CA C 59.637 0.40 1 1336 124 126 ILE CB C 42.239 0.40 1 1337 124 126 ILE CD1 C 12.544 0.40 1 1338 124 126 ILE CG1 C 25.968 0.40 1 1339 124 126 ILE CG2 C 18.882 0.40 1 1340 124 126 ILE N N 124.738 0.40 1 1341 125 127 PHE H H 8.790 0.04 1 1342 125 127 PHE HA H 5.196 0.04 1 1343 125 127 PHE HB2 H 3.141 0.04 2 1344 125 127 PHE HB3 H 3.115 0.04 2 1345 125 127 PHE HD1 H 7.005 0.04 1 1346 125 127 PHE HE1 H 6.643 0.04 1 1347 125 127 PHE HZ H 6.505 0.04 1 1348 125 127 PHE C C 173.749 0.4 1 1349 125 127 PHE CA C 56.471 0.40 1 1350 125 127 PHE CB C 40.300 0.40 1 1351 125 127 PHE CD1 C 131.030 0.40 1 1352 125 127 PHE CE1 C 130.081 0.40 1 1353 125 127 PHE CZ C 128.692 0.40 1 1354 125 127 PHE N N 126.666 0.40 1 1355 126 128 LEU H H 8.467 0.04 1 1356 126 128 LEU HA H 5.015 0.04 1 1357 126 128 LEU HB2 H 1.588 0.04 2 1358 126 128 LEU HB3 H 1.059 0.04 2 1359 126 128 LEU HD1 H 0.608 0.04 1 1360 126 128 LEU HD2 H 0.749 0.04 1 1361 126 128 LEU HG H 1.325 0.04 1 1362 126 128 LEU C C 174.089 0.4 1 1363 126 128 LEU CA C 53.259 0.40 1 1364 126 128 LEU CB C 45.112 0.40 1 1365 126 128 LEU CD1 C 26.472 0.40 1 1366 126 128 LEU CD2 C 25.703 0.40 1 1367 126 128 LEU CG C 27.218 0.40 1 1368 126 128 LEU N N 129.147 0.40 1 1369 127 129 GLU H H 8.846 0.04 1 1370 127 129 GLU HA H 4.418 0.04 1 1371 127 129 GLU HB2 H 1.970 0.04 2 1372 127 129 GLU HB3 H 2.363 0.04 2 1373 127 129 GLU HG2 H 2.403 0.04 2 1374 127 129 GLU HG3 H 2.277 0.04 2 1375 127 129 GLU C C 174.567 0.4 1 1376 127 129 GLU CA C 55.647 0.40 1 1377 127 129 GLU CB C 32.066 0.40 1 1378 127 129 GLU CG C 36.224 0.40 1 1379 127 129 GLU N N 128.367 0.40 1 1380 128 130 THR H H 7.639 0.04 1 1381 128 130 THR HA H 4.375 0.04 1 1382 128 130 THR HB H 4.048 0.04 1 1383 128 130 THR HG2 H 0.606 0.04 1 1384 128 130 THR CA C 62.093 0.40 1 1385 128 130 THR CB C 71.048 0.40 1 1386 128 130 THR CG2 C 21.346 0.40 1 1387 128 130 THR N N 120.775 0.40 1 stop_ save_