data_18047 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the protein NP_814968.1 from Enterococcus faecalis ; _BMRB_accession_number 18047 _BMRB_flat_file_name bmr18047.str _Entry_type original _Submission_date 2011-11-08 _Accession_date 2011-11-08 _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 Susac Lukas . . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Mohanty Biswarajan . . 5 JCSG JCSG . . 6 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 824 "13C chemical shifts" 484 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-11-28 original author . stop_ _Original_release_date 2011-11-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the protein NP_814968.1 from Enterococcus faecalis' _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 Susac Lukas . . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Mohanty Biswarajan . . 5 Wuthrich Kurt . . 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NP_814968.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NP_814968.1 $NP_814968.1 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_NP_814968.1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NP_814968.1 _Molecular_mass 16330.557 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; MDEVLATSIGTYENRTLLVP DGRLALTALHKGKDYQGKPM FYVLFELTNTTEKTQNIQLM IQSFMEVSQTVHGKAQNLQY AVLTDSPFQDKLDRLADEIN PGETIQGAYPYEFINENKPV HFKFRDRLLSLDEPIASEEI TIT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 GLU 4 VAL 5 LEU 6 ALA 7 THR 8 SER 9 ILE 10 GLY 11 THR 12 TYR 13 GLU 14 ASN 15 ARG 16 THR 17 LEU 18 LEU 19 VAL 20 PRO 21 ASP 22 GLY 23 ARG 24 LEU 25 ALA 26 LEU 27 THR 28 ALA 29 LEU 30 HIS 31 LYS 32 GLY 33 LYS 34 ASP 35 TYR 36 GLN 37 GLY 38 LYS 39 PRO 40 MET 41 PHE 42 TYR 43 VAL 44 LEU 45 PHE 46 GLU 47 LEU 48 THR 49 ASN 50 THR 51 THR 52 GLU 53 LYS 54 THR 55 GLN 56 ASN 57 ILE 58 GLN 59 LEU 60 MET 61 ILE 62 GLN 63 SER 64 PHE 65 MET 66 GLU 67 VAL 68 SER 69 GLN 70 THR 71 VAL 72 HIS 73 GLY 74 LYS 75 ALA 76 GLN 77 ASN 78 LEU 79 GLN 80 TYR 81 ALA 82 VAL 83 LEU 84 THR 85 ASP 86 SER 87 PRO 88 PHE 89 GLN 90 ASP 91 LYS 92 LEU 93 ASP 94 ARG 95 LEU 96 ALA 97 ASP 98 GLU 99 ILE 100 ASN 101 PRO 102 GLY 103 GLU 104 THR 105 ILE 106 GLN 107 GLY 108 ALA 109 TYR 110 PRO 111 TYR 112 GLU 113 PHE 114 ILE 115 ASN 116 GLU 117 ASN 118 LYS 119 PRO 120 VAL 121 HIS 122 PHE 123 LYS 124 PHE 125 ARG 126 ASP 127 ARG 128 LEU 129 LEU 130 SER 131 LEU 132 ASP 133 GLU 134 PRO 135 ILE 136 ALA 137 SER 138 GLU 139 GLU 140 ILE 141 THR 142 ILE 143 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 2LLG "Nmr Structure Of The Protein Np_814968.1 From Enterococcus Faecalis" 100.00 143 100.00 100.00 7.11e-100 EMBL CBL31422 "hypothetical protein ENT_06730 [Enterococcus sp. 7L76]" 99.30 176 100.00 100.00 1.15e-99 EMBL CCO72142 "conserved hypothetical protein [Enterococcus faecalis str. Symbioflor 1]" 99.30 176 100.00 100.00 1.15e-99 EMBL CPW23431 "Uncharacterised protein [Mycobacterium abscessus]" 99.30 183 100.00 100.00 2.50e-99 EMBL CRH64002 "Uncharacterised protein [Chlamydia trachomatis]" 99.30 183 100.00 100.00 2.50e-99 GB AAO81038 "hypothetical protein EF_1241 [Enterococcus faecalis V583]" 99.30 176 100.00 100.00 1.15e-99 GB ADX79912 "hypothetical protein EF62_1685 [Enterococcus faecalis 62]" 99.30 176 100.00 100.00 1.15e-99 GB AEA93699 "hypothetical protein OG1RF_11012 [Enterococcus faecalis OG1RF]" 99.30 176 100.00 100.00 1.15e-99 GB AFO43932 "hypothetical protein EFD32_1042 [Enterococcus faecalis D32]" 99.30 176 100.00 100.00 1.15e-99 GB AHI40381 "Hypothetical protein DENG_01387 [Enterococcus faecalis DENG1]" 99.30 176 99.30 100.00 5.34e-99 REF NP_814968 "hypothetical protein EF1241 [Enterococcus faecalis V583]" 99.30 176 100.00 100.00 1.15e-99 REF WP_002384665 "MULTISPECIES: hypothetical protein [Enterococcus]" 99.30 176 100.00 100.00 1.15e-99 REF WP_002395822 "hypothetical protein [Enterococcus faecalis]" 99.30 176 100.00 100.00 1.46e-99 REF WP_002397838 "hypothetical protein [Enterococcus faecalis]" 99.30 176 100.00 100.00 1.13e-99 REF WP_002419155 "hypothetical protein [Enterococcus faecalis]" 99.30 176 99.30 99.30 7.41e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant $NP_814968.1 'Enterococcus faecalis' 1351 Bacteria . Enterococcus faecalis V583 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 $NP_814968.1 'recombinant technology' . Escherichia coli . pSpeedET 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 $NP_814968.1 1.2 mM '[U-95% 13C; U-95% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_4D_APSY_HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY HACANH' _Sample_label $sample_1 save_ save_5D_APSY_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY CBCACONH' _Sample_label $sample_1 save_ save_5D_APSY_HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY HACACONH' _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' 0.083 . M pH 6.0 . 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 protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '4D APSY HACANH' '5D APSY CBCACONH' '5D APSY HACACONH' 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 NP_814968.1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP HA H 4.495 0.003 1 2 2 2 ASP HB2 H 2.625 0.003 2 3 2 2 ASP HB3 H 2.607 0.003 2 4 2 2 ASP CA C 54.610 0.160 1 5 2 2 ASP CB C 41.142 0.160 1 6 3 3 GLU H H 8.438 0.003 1 7 3 3 GLU HA H 4.120 0.003 1 8 3 3 GLU HB2 H 1.805 0.003 2 9 3 3 GLU HB3 H 1.871 0.003 2 10 3 3 GLU HG2 H 2.126 0.003 2 11 3 3 GLU HG3 H 2.126 0.003 2 12 3 3 GLU CA C 56.797 0.160 1 13 3 3 GLU CB C 30.364 0.160 1 14 3 3 GLU CG C 36.376 0.160 1 15 3 3 GLU N N 120.353 0.130 1 16 4 4 VAL H H 8.157 0.003 1 17 4 4 VAL HA H 3.930 0.003 1 18 4 4 VAL HB H 1.910 0.003 1 19 4 4 VAL HG1 H 0.778 0.003 1 20 4 4 VAL HG2 H 0.807 0.003 1 21 4 4 VAL CA C 62.266 0.160 1 22 4 4 VAL CB C 32.737 0.160 1 23 4 4 VAL CG1 C 21.175 0.160 2 24 4 4 VAL CG2 C 20.853 0.160 2 25 4 4 VAL N N 120.733 0.130 1 26 5 5 LEU H H 8.214 0.003 1 27 5 5 LEU HA H 4.253 0.003 1 28 5 5 LEU HB2 H 1.503 0.003 2 29 5 5 LEU HB3 H 1.445 0.003 2 30 5 5 LEU HG H 1.489 0.003 1 31 5 5 LEU HD1 H 0.724 0.003 1 32 5 5 LEU HD2 H 0.724 0.003 1 33 5 5 LEU CA C 54.692 0.160 1 34 5 5 LEU CB C 42.510 0.160 1 35 5 5 LEU CG C 27.003 0.160 1 36 5 5 LEU CD2 C 23.530 0.160 2 37 5 5 LEU N N 125.359 0.130 1 38 6 6 ALA H H 8.256 0.003 1 39 6 6 ALA HA H 4.239 0.003 1 40 6 6 ALA HB H 1.277 0.003 1 41 6 6 ALA CA C 52.477 0.160 1 42 6 6 ALA CB C 19.385 0.160 1 43 6 6 ALA N N 124.193 0.130 1 44 7 7 THR H H 7.925 0.003 1 45 7 7 THR HA H 4.218 0.003 1 46 7 7 THR HB H 4.103 0.003 1 47 7 7 THR HG2 H 1.073 0.003 1 48 7 7 THR CA C 61.477 0.160 1 49 7 7 THR CB C 69.698 0.160 1 50 7 7 THR CG2 C 21.662 0.160 1 51 7 7 THR N N 111.422 0.130 1 52 8 8 SER H H 8.149 0.003 1 53 8 8 SER HA H 4.415 0.003 1 54 8 8 SER HB2 H 3.740 0.003 2 55 8 8 SER HB3 H 3.740 0.003 2 56 8 8 SER CA C 58.044 0.160 1 57 8 8 SER CB C 63.794 0.160 1 58 8 8 SER N N 116.615 0.130 1 59 9 9 ILE H H 8.089 0.003 1 60 9 9 ILE HA H 4.077 0.003 1 61 9 9 ILE HB H 1.766 0.003 1 62 9 9 ILE HG12 H 1.326 0.003 2 63 9 9 ILE HG13 H 1.090 0.003 2 64 9 9 ILE HG2 H 0.786 0.003 1 65 9 9 ILE HD1 H 0.732 0.003 1 66 9 9 ILE CA C 61.296 0.160 1 67 9 9 ILE CB C 39.032 0.160 1 68 9 9 ILE CG1 C 27.313 0.160 1 69 9 9 ILE CG2 C 17.741 0.160 1 70 9 9 ILE CD1 C 13.301 0.160 1 71 9 9 ILE N N 120.442 0.130 1 72 10 10 GLY H H 8.076 0.003 1 73 10 10 GLY HA2 H 3.948 0.003 2 74 10 10 GLY HA3 H 4.338 0.003 2 75 10 10 GLY CA C 45.422 0.160 1 76 10 10 GLY N N 108.657 0.130 1 77 11 11 THR H H 8.485 0.003 1 78 11 11 THR HA H 4.481 0.003 1 79 11 11 THR HB H 3.931 0.003 1 80 11 11 THR HG2 H 0.987 0.003 1 81 11 11 THR CA C 60.114 0.160 1 82 11 11 THR CB C 72.694 0.160 1 83 11 11 THR CG2 C 21.734 0.160 1 84 11 11 THR N N 110.380 0.130 1 85 12 12 TYR H H 8.371 0.003 1 86 12 12 TYR HA H 5.113 0.003 1 87 12 12 TYR HB2 H 2.368 0.003 2 88 12 12 TYR HB3 H 2.150 0.003 2 89 12 12 TYR HD1 H 6.131 0.003 3 90 12 12 TYR HD2 H 6.131 0.003 3 91 12 12 TYR CA C 56.585 0.160 1 92 12 12 TYR CB C 41.380 0.160 1 93 12 12 TYR CD1 C 131.005 0.160 3 94 12 12 TYR CD2 C 131.005 0.160 3 95 12 12 TYR N N 121.121 0.130 1 96 13 13 GLU H H 7.606 0.003 1 97 13 13 GLU HA H 3.980 0.003 1 98 13 13 GLU HB2 H 1.637 0.003 2 99 13 13 GLU HB3 H 1.747 0.003 2 100 13 13 GLU HG2 H 1.950 0.003 2 101 13 13 GLU HG3 H 1.950 0.003 2 102 13 13 GLU CA C 54.655 0.160 1 103 13 13 GLU CB C 32.322 0.160 1 104 13 13 GLU CG C 35.164 0.160 1 105 13 13 GLU N N 123.546 0.130 1 106 14 14 ASN H H 9.101 0.003 1 107 14 14 ASN HA H 4.042 0.003 1 108 14 14 ASN HB2 H 2.422 0.003 2 109 14 14 ASN HB3 H 2.707 0.003 2 110 14 14 ASN HD21 H 7.454 0.003 2 111 14 14 ASN HD22 H 6.669 0.003 2 112 14 14 ASN CA C 54.164 0.160 1 113 14 14 ASN CB C 37.106 0.160 1 114 14 14 ASN N N 122.345 0.130 1 115 14 14 ASN ND2 N 112.147 0.130 1 116 15 15 ARG H H 8.341 0.003 1 117 15 15 ARG HA H 3.663 0.003 1 118 15 15 ARG HB2 H 1.259 0.003 2 119 15 15 ARG HB3 H 1.645 0.003 2 120 15 15 ARG HD2 H 2.895 0.003 2 121 15 15 ARG HD3 H 2.812 0.003 2 122 15 15 ARG HE H 7.712 0.003 1 123 15 15 ARG CA C 56.613 0.160 1 124 15 15 ARG CB C 27.468 0.160 1 125 15 15 ARG CD C 42.963 0.160 1 126 15 15 ARG N N 109.965 0.130 1 127 15 15 ARG NE N 85.501 0.130 1 128 16 16 THR H H 6.798 0.003 1 129 16 16 THR HA H 4.854 0.003 1 130 16 16 THR HB H 3.910 0.003 1 131 16 16 THR HG2 H 0.764 0.003 1 132 16 16 THR CA C 61.606 0.160 1 133 16 16 THR CB C 70.614 0.160 1 134 16 16 THR CG2 C 20.425 0.160 1 135 16 16 THR N N 111.186 0.130 1 136 17 17 LEU H H 9.474 0.003 1 137 17 17 LEU HA H 4.786 0.003 1 138 17 17 LEU HB2 H 1.933 0.003 2 139 17 17 LEU HB3 H 0.888 0.003 2 140 17 17 LEU HG H 1.147 0.003 1 141 17 17 LEU HD1 H 0.625 0.003 1 142 17 17 LEU CA C 53.360 0.160 1 143 17 17 LEU CB C 45.303 0.160 1 144 17 17 LEU CG C 27.591 0.160 1 145 17 17 LEU CD1 C 23.352 0.160 2 146 17 17 LEU N N 130.576 0.130 1 147 18 18 LEU H H 8.818 0.003 1 148 18 18 LEU HA H 4.814 0.003 1 149 18 18 LEU HB2 H 1.643 0.003 2 150 18 18 LEU HB3 H 1.151 0.003 2 151 18 18 LEU HG H 1.226 0.003 1 152 18 18 LEU HD1 H 0.683 0.003 1 153 18 18 LEU HD2 H 0.683 0.003 1 154 18 18 LEU CA C 54.527 0.160 1 155 18 18 LEU CB C 44.038 0.160 1 156 18 18 LEU CG C 27.389 0.160 1 157 18 18 LEU CD2 C 25.056 0.160 2 158 18 18 LEU N N 128.353 0.130 1 159 19 19 VAL H H 8.453 0.003 1 160 19 19 VAL HA H 4.723 0.003 1 161 19 19 VAL HB H 2.472 0.003 1 162 19 19 VAL HG2 H 0.289 0.003 1 163 19 19 VAL CA C 58.097 0.160 1 164 19 19 VAL CB C 33.060 0.160 1 165 19 19 VAL CG1 C 23.637 0.160 2 166 19 19 VAL CG2 C 19.101 0.160 2 167 19 19 VAL N N 117.630 0.130 1 168 20 20 PRO HA H 4.052 0.003 1 169 20 20 PRO HB2 H 1.711 0.003 2 170 20 20 PRO HB3 H 2.263 0.003 2 171 20 20 PRO HG2 H 2.063 0.003 2 172 20 20 PRO HG3 H 1.874 0.003 2 173 20 20 PRO HD2 H 3.747 0.003 2 174 20 20 PRO HD3 H 3.597 0.003 2 175 20 20 PRO CA C 66.244 0.160 1 176 20 20 PRO CB C 31.738 0.160 1 177 20 20 PRO CG C 28.412 0.160 1 178 20 20 PRO CD C 50.397 0.160 1 179 21 21 ASP HA H 4.315 0.003 1 180 21 21 ASP HB2 H 2.675 0.003 2 181 21 21 ASP HB3 H 2.675 0.003 2 182 21 21 ASP CA C 54.850 0.160 1 183 21 21 ASP CB C 42.022 0.160 1 184 22 22 GLY H H 7.496 0.003 1 185 22 22 GLY HA2 H 4.020 0.003 2 186 22 22 GLY HA3 H 4.523 0.003 2 187 22 22 GLY CA C 47.252 0.160 1 188 22 22 GLY N N 106.832 0.130 1 189 23 23 ARG H H 7.883 0.003 1 190 23 23 ARG HA H 5.346 0.003 1 191 23 23 ARG HB2 H 1.504 0.003 2 192 23 23 ARG HB3 H 1.504 0.003 2 193 23 23 ARG HG2 H 1.174 0.003 2 194 23 23 ARG HG3 H 1.348 0.003 2 195 23 23 ARG HD2 H 2.955 0.003 2 196 23 23 ARG HD3 H 2.955 0.003 2 197 23 23 ARG HE H 7.179 0.003 1 198 23 23 ARG CA C 52.996 0.160 1 199 23 23 ARG CB C 34.254 0.160 1 200 23 23 ARG CG C 28.800 0.160 1 201 23 23 ARG CD C 43.716 0.160 1 202 23 23 ARG N N 115.061 0.130 1 203 23 23 ARG NE N 83.215 0.130 1 204 24 24 LEU H H 9.178 0.003 1 205 24 24 LEU HA H 5.380 0.003 1 206 24 24 LEU HB2 H 1.159 0.003 2 207 24 24 LEU HB3 H 1.858 0.003 2 208 24 24 LEU HG H 1.405 0.003 1 209 24 24 LEU HD1 H 0.980 0.003 1 210 24 24 LEU HD2 H 0.726 0.003 1 211 24 24 LEU CA C 53.067 0.160 1 212 24 24 LEU CB C 45.975 0.160 1 213 24 24 LEU CG C 28.170 0.160 1 214 24 24 LEU CD1 C 22.632 0.160 2 215 24 24 LEU CD2 C 25.194 0.160 2 216 24 24 LEU N N 127.899 0.130 1 217 25 25 ALA H H 9.285 0.003 1 218 25 25 ALA HA H 5.253 0.003 1 219 25 25 ALA HB H 1.228 0.003 1 220 25 25 ALA CA C 49.903 0.160 1 221 25 25 ALA CB C 21.479 0.160 1 222 25 25 ALA N N 128.627 0.130 1 223 26 26 LEU H H 8.780 0.003 1 224 26 26 LEU HA H 4.721 0.003 1 225 26 26 LEU HB2 H 1.831 0.003 2 226 26 26 LEU HB3 H 1.173 0.003 2 227 26 26 LEU HG H 1.645 0.003 1 228 26 26 LEU HD1 H 0.773 0.003 1 229 26 26 LEU HD2 H 0.717 0.003 1 230 26 26 LEU CA C 54.460 0.160 1 231 26 26 LEU CB C 40.440 0.160 1 232 26 26 LEU CG C 28.424 0.160 1 233 26 26 LEU CD1 C 24.656 0.160 2 234 26 26 LEU CD2 C 23.998 0.160 2 235 26 26 LEU N N 122.462 0.130 1 236 27 27 THR H H 8.890 0.003 1 237 27 27 THR HA H 4.003 0.003 1 238 27 27 THR HB H 3.954 0.003 1 239 27 27 THR HG2 H 0.982 0.003 1 240 27 27 THR CA C 63.523 0.160 1 241 27 27 THR CB C 68.499 0.160 1 242 27 27 THR CG2 C 21.830 0.160 1 243 27 27 THR N N 118.381 0.130 1 244 28 28 ALA H H 7.552 0.003 1 245 28 28 ALA HA H 4.245 0.003 1 246 28 28 ALA HB H 1.176 0.003 1 247 28 28 ALA CA C 52.520 0.160 1 248 28 28 ALA CB C 22.603 0.160 1 249 28 28 ALA N N 119.157 0.130 1 250 29 29 LEU H H 8.008 0.003 1 251 29 29 LEU HA H 5.486 0.003 1 252 29 29 LEU HB2 H 1.657 0.003 2 253 29 29 LEU HB3 H 1.244 0.003 2 254 29 29 LEU HG H 1.600 0.003 1 255 29 29 LEU HD1 H 0.947 0.003 1 256 29 29 LEU HD2 H 0.710 0.003 1 257 29 29 LEU CA C 53.939 0.160 1 258 29 29 LEU CB C 44.287 0.160 1 259 29 29 LEU CG C 28.086 0.160 1 260 29 29 LEU CD1 C 26.928 0.160 2 261 29 29 LEU CD2 C 26.131 0.160 2 262 29 29 LEU N N 118.420 0.130 1 263 30 30 HIS H H 8.579 0.003 1 264 30 30 HIS HA H 5.233 0.003 1 265 30 30 HIS HB2 H 2.709 0.003 2 266 30 30 HIS HB3 H 3.234 0.003 2 267 30 30 HIS HD2 H 6.405 0.003 1 268 30 30 HIS HE1 H 8.022 0.003 1 269 30 30 HIS CA C 54.100 0.160 1 270 30 30 HIS CB C 34.595 0.160 1 271 30 30 HIS CD2 C 119.472 0.160 1 272 30 30 HIS CE1 C 137.964 0.160 1 273 30 30 HIS N N 117.771 0.130 1 274 31 31 LYS H H 9.542 0.003 1 275 31 31 LYS HA H 4.822 0.003 1 276 31 31 LYS HB2 H 2.159 0.003 2 277 31 31 LYS HB3 H 1.781 0.003 2 278 31 31 LYS HG2 H 1.855 0.003 2 279 31 31 LYS HG3 H 1.592 0.003 2 280 31 31 LYS HD2 H 1.722 0.003 2 281 31 31 LYS HD3 H 1.722 0.003 2 282 31 31 LYS HE2 H 2.808 0.003 2 283 31 31 LYS HE3 H 3.044 0.003 2 284 31 31 LYS CA C 57.744 0.160 1 285 31 31 LYS CB C 34.158 0.160 1 286 31 31 LYS CG C 27.051 0.160 1 287 31 31 LYS CD C 29.948 0.160 1 288 31 31 LYS CE C 42.005 0.160 1 289 31 31 LYS N N 125.291 0.130 1 290 32 32 GLY H H 8.734 0.003 1 291 32 32 GLY HA2 H 3.973 0.003 2 292 32 32 GLY HA3 H 4.527 0.003 2 293 32 32 GLY CA C 46.179 0.160 1 294 32 32 GLY N N 110.657 0.130 1 295 33 33 LYS H H 7.886 0.003 1 296 33 33 LYS HA H 5.120 0.003 1 297 33 33 LYS HB2 H 1.650 0.003 2 298 33 33 LYS HB3 H 1.475 0.003 2 299 33 33 LYS HG2 H 1.333 0.003 2 300 33 33 LYS HG3 H 1.167 0.003 2 301 33 33 LYS HD2 H 1.542 0.003 2 302 33 33 LYS HD3 H 1.449 0.003 2 303 33 33 LYS HE2 H 2.871 0.003 2 304 33 33 LYS HE3 H 2.871 0.003 2 305 33 33 LYS CA C 54.426 0.160 1 306 33 33 LYS CB C 37.121 0.160 1 307 33 33 LYS CG C 25.346 0.160 1 308 33 33 LYS CD C 29.391 0.160 1 309 33 33 LYS CE C 42.359 0.160 1 310 33 33 LYS N N 119.230 0.130 1 311 34 34 ASP H H 9.153 0.003 1 312 34 34 ASP HA H 4.546 0.003 1 313 34 34 ASP HB2 H 2.229 0.003 2 314 34 34 ASP HB3 H 3.823 0.003 2 315 34 34 ASP CA C 52.177 0.160 1 316 34 34 ASP CB C 40.827 0.160 1 317 34 34 ASP N N 121.332 0.130 1 318 35 35 TYR H H 8.833 0.003 1 319 35 35 TYR HA H 4.448 0.003 1 320 35 35 TYR HB2 H 3.052 0.003 2 321 35 35 TYR HB3 H 2.729 0.003 2 322 35 35 TYR HD1 H 7.031 0.003 3 323 35 35 TYR HD2 H 7.031 0.003 3 324 35 35 TYR HE1 H 6.679 0.003 3 325 35 35 TYR HE2 H 6.679 0.003 3 326 35 35 TYR CA C 59.552 0.160 1 327 35 35 TYR CB C 37.710 0.160 1 328 35 35 TYR CD1 C 133.044 0.160 3 329 35 35 TYR CD2 C 133.044 0.160 3 330 35 35 TYR CE1 C 117.165 0.160 3 331 35 35 TYR CE2 C 117.165 0.160 3 332 35 35 TYR N N 115.225 0.130 1 333 36 36 GLN H H 7.969 0.003 1 334 36 36 GLN HA H 4.226 0.003 1 335 36 36 GLN HB2 H 1.580 0.003 2 336 36 36 GLN HB3 H 1.680 0.003 2 337 36 36 GLN HG2 H 1.446 0.003 2 338 36 36 GLN HG3 H 1.018 0.003 2 339 36 36 GLN HE21 H 7.265 0.003 2 340 36 36 GLN HE22 H 6.654 0.003 2 341 36 36 GLN CA C 54.111 0.160 1 342 36 36 GLN CB C 29.617 0.160 1 343 36 36 GLN CG C 33.204 0.160 1 344 36 36 GLN N N 119.307 0.130 1 345 36 36 GLN NE2 N 110.770 0.130 1 346 37 37 GLY H H 8.183 0.003 1 347 37 37 GLY HA2 H 3.483 0.003 2 348 37 37 GLY HA3 H 4.117 0.003 2 349 37 37 GLY CA C 45.817 0.160 1 350 37 37 GLY N N 107.990 0.130 1 351 38 38 LYS H H 8.644 0.003 1 352 38 38 LYS HA H 4.465 0.003 1 353 38 38 LYS HB2 H 1.803 0.003 2 354 38 38 LYS HB3 H 1.803 0.003 2 355 38 38 LYS HG2 H 1.248 0.003 2 356 38 38 LYS HG3 H 1.351 0.003 2 357 38 38 LYS HD2 H 1.606 0.003 2 358 38 38 LYS HD3 H 1.606 0.003 2 359 38 38 LYS HE2 H 2.867 0.003 2 360 38 38 LYS HE3 H 2.867 0.003 2 361 38 38 LYS CA C 54.404 0.160 1 362 38 38 LYS CB C 34.126 0.160 1 363 38 38 LYS CG C 25.112 0.160 1 364 38 38 LYS CD C 28.740 0.160 1 365 38 38 LYS CE C 41.759 0.160 1 366 38 38 LYS N N 122.006 0.130 1 367 39 39 PRO HA H 4.705 0.003 1 368 39 39 PRO HB2 H 2.294 0.003 2 369 39 39 PRO HB3 H 1.909 0.003 2 370 39 39 PRO HG2 H 1.719 0.003 2 371 39 39 PRO HG3 H 1.851 0.003 2 372 39 39 PRO HD2 H 3.827 0.003 2 373 39 39 PRO HD3 H 3.584 0.003 2 374 39 39 PRO CA C 63.889 0.160 1 375 39 39 PRO CB C 32.917 0.160 1 376 39 39 PRO CG C 30.571 0.160 1 377 39 39 PRO CD C 50.327 0.160 1 378 40 40 MET H H 8.782 0.003 1 379 40 40 MET HA H 4.768 0.003 1 380 40 40 MET HB2 H 1.792 0.003 2 381 40 40 MET HB3 H 1.792 0.003 2 382 40 40 MET HG2 H 2.030 0.003 2 383 40 40 MET HG3 H 2.030 0.003 2 384 40 40 MET HE H 0.428 0.003 1 385 40 40 MET CA C 53.101 0.160 1 386 40 40 MET CB C 30.509 0.160 1 387 40 40 MET CG C 30.933 0.160 1 388 40 40 MET CE C 15.719 0.160 1 389 40 40 MET N N 119.492 0.130 1 390 41 41 PHE H H 8.972 0.003 1 391 41 41 PHE HA H 5.179 0.003 1 392 41 41 PHE HB2 H 2.806 0.003 2 393 41 41 PHE HB3 H 2.594 0.003 2 394 41 41 PHE HD1 H 5.879 0.003 3 395 41 41 PHE HD2 H 5.879 0.003 3 396 41 41 PHE HE1 H 6.422 0.003 3 397 41 41 PHE HE2 H 6.422 0.003 3 398 41 41 PHE HZ H 6.799 0.003 1 399 41 41 PHE CA C 56.816 0.160 1 400 41 41 PHE CB C 41.614 0.160 1 401 41 41 PHE CD1 C 131.392 0.160 3 402 41 41 PHE CD2 C 131.399 0.160 3 403 41 41 PHE CE1 C 129.273 0.160 3 404 41 41 PHE CE2 C 129.277 0.160 3 405 41 41 PHE CZ C 127.181 0.160 1 406 41 41 PHE N N 111.715 0.130 1 407 42 42 TYR H H 9.607 0.003 1 408 42 42 TYR HA H 4.863 0.003 1 409 42 42 TYR HB2 H 2.227 0.003 2 410 42 42 TYR HB3 H 2.493 0.003 2 411 42 42 TYR HD1 H 6.708 0.003 3 412 42 42 TYR HD2 H 6.708 0.003 3 413 42 42 TYR HE1 H 6.680 0.003 3 414 42 42 TYR HE2 H 6.680 0.003 3 415 42 42 TYR CA C 56.522 0.160 1 416 42 42 TYR CB C 41.597 0.160 1 417 42 42 TYR CD1 C 132.293 0.160 3 418 42 42 TYR CD2 C 132.293 0.160 3 419 42 42 TYR CE1 C 118.053 0.160 3 420 42 42 TYR CE2 C 118.053 0.160 3 421 42 42 TYR N N 116.245 0.130 1 422 43 43 VAL H H 8.946 0.003 1 423 43 43 VAL HA H 4.697 0.003 1 424 43 43 VAL HB H 2.422 0.003 1 425 43 43 VAL HG1 H 1.441 0.003 1 426 43 43 VAL HG2 H 1.144 0.003 1 427 43 43 VAL CA C 61.821 0.160 1 428 43 43 VAL CB C 33.676 0.160 1 429 43 43 VAL CG1 C 22.837 0.160 2 430 43 43 VAL CG2 C 22.536 0.160 2 431 43 43 VAL N N 120.036 0.130 1 432 44 44 LEU H H 8.904 0.003 1 433 44 44 LEU HA H 4.807 0.003 1 434 44 44 LEU HB2 H 1.576 0.003 2 435 44 44 LEU HB3 H 1.429 0.003 2 436 44 44 LEU HG H 1.218 0.003 1 437 44 44 LEU HD1 H 0.271 0.003 1 438 44 44 LEU HD2 H 0.235 0.003 1 439 44 44 LEU CA C 54.638 0.160 1 440 44 44 LEU CB C 40.502 0.160 1 441 44 44 LEU CG C 29.478 0.160 1 442 44 44 LEU CD1 C 24.604 0.160 2 443 44 44 LEU CD2 C 24.463 0.160 2 444 44 44 LEU N N 128.688 0.130 1 445 45 45 PHE H H 7.680 0.003 1 446 45 45 PHE HA H 5.997 0.003 1 447 45 45 PHE HB2 H 3.091 0.003 2 448 45 45 PHE HB3 H 2.613 0.003 2 449 45 45 PHE HD1 H 6.880 0.003 3 450 45 45 PHE HD2 H 6.880 0.003 3 451 45 45 PHE HE1 H 6.931 0.003 3 452 45 45 PHE HE2 H 6.931 0.003 3 453 45 45 PHE CA C 55.167 0.160 1 454 45 45 PHE CB C 43.712 0.160 1 455 45 45 PHE CD1 C 131.898 0.160 3 456 45 45 PHE CD2 C 131.898 0.160 3 457 45 45 PHE CE1 C 129.480 0.160 3 458 45 45 PHE CE2 C 129.480 0.160 3 459 45 45 PHE N N 115.417 0.130 1 460 46 46 GLU H H 9.210 0.003 1 461 46 46 GLU HA H 5.140 0.003 1 462 46 46 GLU HB2 H 1.907 0.003 2 463 46 46 GLU HB3 H 1.802 0.003 2 464 46 46 GLU HG2 H 2.067 0.003 2 465 46 46 GLU HG3 H 2.067 0.003 2 466 46 46 GLU CA C 54.955 0.160 1 467 46 46 GLU CB C 33.072 0.160 1 468 46 46 GLU CG C 37.347 0.160 1 469 46 46 GLU N N 119.543 0.130 1 470 47 47 LEU H H 9.138 0.003 1 471 47 47 LEU HA H 5.695 0.003 1 472 47 47 LEU HB2 H 1.834 0.003 2 473 47 47 LEU HB3 H 1.426 0.003 2 474 47 47 LEU HG H 0.939 0.003 1 475 47 47 LEU HD2 H 0.981 0.003 1 476 47 47 LEU CA C 53.073 0.160 1 477 47 47 LEU CB C 47.358 0.160 1 478 47 47 LEU CG C 28.127 0.160 1 479 47 47 LEU CD2 C 22.686 0.160 2 480 47 47 LEU N N 127.871 0.130 1 481 48 48 THR H H 9.346 0.003 1 482 48 48 THR HA H 5.631 0.003 1 483 48 48 THR HB H 3.707 0.003 1 484 48 48 THR HG2 H 0.962 0.003 1 485 48 48 THR CA C 61.022 0.160 1 486 48 48 THR CB C 71.321 0.160 1 487 48 48 THR CG2 C 21.514 0.160 1 488 48 48 THR N N 121.524 0.130 1 489 49 49 ASN H H 7.464 0.003 1 490 49 49 ASN HA H 4.899 0.003 1 491 49 49 ASN HB2 H 3.279 0.003 2 492 49 49 ASN HB3 H 2.553 0.003 2 493 49 49 ASN HD21 H 7.778 0.003 2 494 49 49 ASN HD22 H 6.278 0.003 2 495 49 49 ASN CA C 51.532 0.160 1 496 49 49 ASN CB C 39.518 0.160 1 497 49 49 ASN N N 121.340 0.130 1 498 49 49 ASN ND2 N 109.420 0.130 1 499 50 50 THR H H 8.412 0.003 1 500 50 50 THR HA H 4.829 0.003 1 501 50 50 THR HB H 4.586 0.003 1 502 50 50 THR HG2 H 0.881 0.003 1 503 50 50 THR CA C 60.820 0.160 1 504 50 50 THR CB C 67.094 0.160 1 505 50 50 THR CG2 C 20.410 0.160 1 506 50 50 THR N N 117.728 0.130 1 507 51 51 THR H H 7.893 0.003 1 508 51 51 THR HA H 4.811 0.003 1 509 51 51 THR HB H 4.452 0.003 1 510 51 51 THR HG2 H 1.491 0.003 1 511 51 51 THR CA C 61.545 0.160 1 512 51 51 THR CB C 71.102 0.160 1 513 51 51 THR CG2 C 22.028 0.160 1 514 51 51 THR N N 111.759 0.130 1 515 52 52 GLU H H 8.429 0.003 1 516 52 52 GLU HA H 4.293 0.003 1 517 52 52 GLU HB2 H 2.183 0.003 2 518 52 52 GLU HB3 H 1.813 0.003 2 519 52 52 GLU HG2 H 2.126 0.003 2 520 52 52 GLU HG3 H 2.232 0.003 2 521 52 52 GLU CA C 55.785 0.160 1 522 52 52 GLU CB C 30.000 0.160 1 523 52 52 GLU CG C 36.439 0.160 1 524 52 52 GLU N N 113.104 0.130 1 525 53 53 LYS H H 8.082 0.003 1 526 53 53 LYS HA H 4.734 0.003 1 527 53 53 LYS HB2 H 1.532 0.003 2 528 53 53 LYS HB3 H 1.696 0.003 2 529 53 53 LYS HG2 H 1.235 0.003 2 530 53 53 LYS HG3 H 1.235 0.003 2 531 53 53 LYS CA C 54.257 0.160 1 532 53 53 LYS CB C 36.559 0.160 1 533 53 53 LYS CG C 24.099 0.160 1 534 53 53 LYS N N 117.761 0.130 1 535 54 54 THR H H 8.456 0.003 1 536 54 54 THR HA H 4.148 0.003 1 537 54 54 THR HG2 H 1.083 0.003 1 538 54 54 THR CA C 64.263 0.160 1 539 54 54 THR CG2 C 22.668 0.160 1 540 54 54 THR N N 117.683 0.130 1 541 55 55 GLN H H 7.808 0.003 1 542 55 55 GLN HA H 4.706 0.003 1 543 55 55 GLN HB2 H 1.426 0.003 2 544 55 55 GLN HB3 H 1.957 0.003 2 545 55 55 GLN HG2 H 2.209 0.003 2 546 55 55 GLN HG3 H 2.344 0.003 2 547 55 55 GLN HE21 H 7.094 0.003 2 548 55 55 GLN HE22 H 6.687 0.003 2 549 55 55 GLN CA C 53.329 0.160 1 550 55 55 GLN CB C 31.772 0.160 1 551 55 55 GLN CG C 31.346 0.160 1 552 55 55 GLN N N 120.501 0.130 1 553 55 55 GLN NE2 N 108.330 0.130 1 554 56 56 ASN H H 8.867 0.003 1 555 56 56 ASN HA H 4.758 0.003 1 556 56 56 ASN HB2 H 2.905 0.003 2 557 56 56 ASN HB3 H 2.386 0.003 2 558 56 56 ASN HD21 H 6.688 0.003 2 559 56 56 ASN HD22 H 7.482 0.003 2 560 56 56 ASN CA C 54.054 0.160 1 561 56 56 ASN CB C 40.984 0.160 1 562 56 56 ASN N N 119.770 0.130 1 563 56 56 ASN ND2 N 111.313 0.130 1 564 57 57 ILE H H 8.527 0.003 1 565 57 57 ILE HA H 3.194 0.003 1 566 57 57 ILE HB H 2.086 0.003 1 567 57 57 ILE HG12 H 1.531 0.003 2 568 57 57 ILE HG13 H 0.579 0.003 2 569 57 57 ILE HG2 H 0.818 0.003 1 570 57 57 ILE HD1 H 0.884 0.003 1 571 57 57 ILE CA C 67.562 0.160 1 572 57 57 ILE CB C 37.098 0.160 1 573 57 57 ILE CG1 C 33.233 0.160 1 574 57 57 ILE CG2 C 17.413 0.160 1 575 57 57 ILE CD1 C 14.673 0.160 1 576 57 57 ILE N N 126.827 0.130 1 577 58 58 GLN H H 7.916 0.003 1 578 58 58 GLN HA H 3.723 0.003 1 579 58 58 GLN HB2 H 2.122 0.003 2 580 58 58 GLN HB3 H 2.343 0.003 2 581 58 58 GLN HG2 H 2.278 0.003 2 582 58 58 GLN HG3 H 2.209 0.003 2 583 58 58 GLN HE21 H 7.002 0.003 2 584 58 58 GLN HE22 H 6.348 0.003 2 585 58 58 GLN CA C 60.514 0.160 1 586 58 58 GLN CB C 27.790 0.160 1 587 58 58 GLN CG C 34.182 0.160 1 588 58 58 GLN N N 118.287 0.130 1 589 58 58 GLN NE2 N 107.421 0.130 1 590 59 59 LEU H H 8.114 0.003 1 591 59 59 LEU HA H 3.948 0.003 1 592 59 59 LEU HB2 H 1.694 0.003 2 593 59 59 LEU HB3 H 1.550 0.003 2 594 59 59 LEU HG H 1.577 0.003 1 595 59 59 LEU HD1 H 0.733 0.003 1 596 59 59 LEU HD2 H 0.799 0.003 1 597 59 59 LEU CA C 57.705 0.160 1 598 59 59 LEU CB C 41.181 0.160 1 599 59 59 LEU CG C 27.032 0.160 1 600 59 59 LEU CD1 C 23.387 0.160 2 601 59 59 LEU CD2 C 25.049 0.160 2 602 59 59 LEU N N 115.970 0.130 1 603 60 60 MET H H 7.990 0.003 1 604 60 60 MET HA H 3.433 0.003 1 605 60 60 MET HB2 H 1.982 0.003 2 606 60 60 MET HB3 H 1.540 0.003 2 607 60 60 MET HG2 H 1.863 0.003 2 608 60 60 MET HG3 H 2.349 0.003 2 609 60 60 MET HE H 2.064 0.003 1 610 60 60 MET CA C 60.831 0.160 1 611 60 60 MET CB C 33.127 0.160 1 612 60 60 MET CG C 33.985 0.160 1 613 60 60 MET CE C 18.916 0.160 1 614 60 60 MET N N 118.876 0.130 1 615 61 61 ILE H H 7.914 0.003 1 616 61 61 ILE HA H 3.458 0.003 1 617 61 61 ILE HB H 1.792 0.003 1 618 61 61 ILE HG12 H 0.839 0.003 2 619 61 61 ILE HG13 H 1.298 0.003 2 620 61 61 ILE HG2 H 0.517 0.003 1 621 61 61 ILE HD1 H -0.176 0.003 1 622 61 61 ILE CA C 63.751 0.160 1 623 61 61 ILE CB C 35.812 0.160 1 624 61 61 ILE CG1 C 27.456 0.160 1 625 61 61 ILE CG2 C 17.674 0.160 1 626 61 61 ILE CD1 C 11.314 0.160 1 627 61 61 ILE N N 115.402 0.130 1 628 62 62 GLN H H 7.890 0.003 1 629 62 62 GLN HA H 4.068 0.003 1 630 62 62 GLN HB2 H 1.976 0.003 2 631 62 62 GLN HB3 H 1.976 0.003 2 632 62 62 GLN HG2 H 2.588 0.003 2 633 62 62 GLN HG3 H 2.374 0.003 2 634 62 62 GLN HE21 H 6.920 0.003 2 635 62 62 GLN HE22 H 7.221 0.003 2 636 62 62 GLN CA C 57.900 0.160 1 637 62 62 GLN CB C 28.576 0.160 1 638 62 62 GLN CG C 35.255 0.160 1 639 62 62 GLN N N 114.407 0.130 1 640 62 62 GLN NE2 N 109.801 0.130 1 641 63 63 SER H H 7.570 0.003 1 642 63 63 SER HA H 4.107 0.003 1 643 63 63 SER HB2 H 3.759 0.003 2 644 63 63 SER HB3 H 3.644 0.003 2 645 63 63 SER CA C 61.235 0.160 1 646 63 63 SER CB C 63.320 0.160 1 647 63 63 SER N N 112.761 0.130 1 648 64 64 PHE H H 7.456 0.003 1 649 64 64 PHE HA H 3.456 0.003 1 650 64 64 PHE HB2 H 2.905 0.003 2 651 64 64 PHE HB3 H 3.157 0.003 2 652 64 64 PHE HD1 H 6.848 0.003 3 653 64 64 PHE HD2 H 6.848 0.003 3 654 64 64 PHE HE1 H 6.435 0.003 3 655 64 64 PHE HE2 H 6.435 0.003 3 656 64 64 PHE CA C 63.826 0.160 1 657 64 64 PHE CB C 40.647 0.160 1 658 64 64 PHE CD1 C 128.900 0.160 3 659 64 64 PHE CD2 C 128.901 0.160 3 660 64 64 PHE CE1 C 127.007 0.160 3 661 64 64 PHE CE2 C 127.007 0.160 3 662 64 64 PHE N N 117.901 0.130 1 663 65 65 MET H H 8.172 0.003 1 664 65 65 MET HA H 4.975 0.003 1 665 65 65 MET HB2 H 1.368 0.003 2 666 65 65 MET HB3 H 1.986 0.003 2 667 65 65 MET HE H 1.856 0.003 1 668 65 65 MET CA C 54.753 0.160 1 669 65 65 MET CB C 37.189 0.160 1 670 65 65 MET CE C 16.097 0.160 1 671 65 65 MET N N 117.747 0.130 1 672 66 66 GLU H H 8.564 0.003 1 673 66 66 GLU HA H 4.351 0.003 1 674 66 66 GLU HB2 H 1.648 0.003 2 675 66 66 GLU HB3 H 1.551 0.003 2 676 66 66 GLU HG2 H 1.963 0.003 2 677 66 66 GLU HG3 H 1.764 0.003 2 678 66 66 GLU CA C 54.433 0.160 1 679 66 66 GLU CB C 33.294 0.160 1 680 66 66 GLU CG C 36.779 0.160 1 681 66 66 GLU N N 124.224 0.130 1 682 67 67 VAL H H 7.974 0.003 1 683 67 67 VAL HA H 4.434 0.003 1 684 67 67 VAL HB H 0.912 0.003 1 685 67 67 VAL HG1 H -0.422 0.003 1 686 67 67 VAL HG2 H -0.034 0.003 1 687 67 67 VAL CA C 60.792 0.160 1 688 67 67 VAL CB C 33.862 0.160 1 689 67 67 VAL CG1 C 21.642 0.160 2 690 67 67 VAL CG2 C 21.662 0.160 2 691 67 67 VAL N N 126.029 0.130 1 692 68 68 SER H H 8.899 0.003 1 693 68 68 SER HA H 5.135 0.003 1 694 68 68 SER HB2 H 3.381 0.003 2 695 68 68 SER HB3 H 3.629 0.003 2 696 68 68 SER CA C 57.455 0.160 1 697 68 68 SER CB C 67.691 0.160 1 698 68 68 SER N N 118.914 0.130 1 699 69 69 GLN H H 8.287 0.003 1 700 69 69 GLN HA H 4.610 0.003 1 701 69 69 GLN HB2 H 1.845 0.003 2 702 69 69 GLN HB3 H 1.993 0.003 2 703 69 69 GLN HG2 H 2.351 0.003 2 704 69 69 GLN HG3 H 2.853 0.003 2 705 69 69 GLN HE21 H 7.677 0.003 2 706 69 69 GLN HE22 H 6.773 0.003 2 707 69 69 GLN CA C 56.376 0.160 1 708 69 69 GLN CB C 35.685 0.160 1 709 69 69 GLN CG C 38.133 0.160 1 710 69 69 GLN N N 113.036 0.130 1 711 69 69 GLN NE2 N 116.549 0.130 1 712 70 70 THR H H 8.393 0.003 1 713 70 70 THR HA H 4.510 0.003 1 714 70 70 THR HB H 3.709 0.003 1 715 70 70 THR HG2 H 0.803 0.003 1 716 70 70 THR CA C 62.228 0.160 1 717 70 70 THR CB C 69.190 0.160 1 718 70 70 THR CG2 C 21.739 0.160 1 719 70 70 THR N N 115.321 0.130 1 720 71 71 VAL H H 8.716 0.003 1 721 71 71 VAL HA H 3.983 0.003 1 722 71 71 VAL HB H 1.746 0.003 1 723 71 71 VAL HG1 H 0.677 0.003 1 724 71 71 VAL HG2 H 0.612 0.003 1 725 71 71 VAL CA C 61.379 0.160 1 726 71 71 VAL CB C 34.505 0.160 1 727 71 71 VAL CG1 C 21.080 0.160 2 728 71 71 VAL CG2 C 20.704 0.160 2 729 71 71 VAL N N 124.536 0.130 1 730 72 72 HIS HA H 4.253 0.003 1 731 72 72 HIS HB2 H 3.262 0.003 2 732 72 72 HIS HB3 H 3.152 0.003 2 733 72 72 HIS HD2 H 7.084 0.003 1 734 72 72 HIS HE1 H 7.969 0.003 1 735 72 72 HIS CA C 55.959 0.160 1 736 72 72 HIS CB C 27.537 0.160 1 737 72 72 HIS CD2 C 118.938 0.160 1 738 72 72 HIS CE1 C 136.188 0.160 1 739 73 73 GLY H H 8.407 0.003 1 740 73 73 GLY HA2 H 3.397 0.003 2 741 73 73 GLY HA3 H 4.008 0.003 2 742 73 73 GLY CA C 45.529 0.160 1 743 73 73 GLY N N 101.723 0.130 1 744 74 74 LYS H H 7.594 0.003 1 745 74 74 LYS HA H 4.506 0.003 1 746 74 74 LYS HB2 H 1.624 0.003 2 747 74 74 LYS HB3 H 1.708 0.003 2 748 74 74 LYS HG2 H 1.298 0.003 2 749 74 74 LYS HG3 H 1.249 0.003 2 750 74 74 LYS HD2 H 1.567 0.003 2 751 74 74 LYS HD3 H 1.567 0.003 2 752 74 74 LYS CA C 54.335 0.160 1 753 74 74 LYS CB C 35.167 0.160 1 754 74 74 LYS CG C 24.460 0.160 1 755 74 74 LYS CD C 29.128 0.160 1 756 74 74 LYS N N 119.652 0.130 1 757 75 75 ALA H H 8.461 0.003 1 758 75 75 ALA HA H 4.163 0.003 1 759 75 75 ALA HB H 1.023 0.003 1 760 75 75 ALA CA C 52.616 0.160 1 761 75 75 ALA CB C 19.103 0.160 1 762 75 75 ALA N N 126.103 0.130 1 763 76 76 GLN H H 8.755 0.003 1 764 76 76 GLN HA H 4.424 0.003 1 765 76 76 GLN HB2 H 1.765 0.003 2 766 76 76 GLN HB3 H 1.884 0.003 2 767 76 76 GLN HG2 H 2.181 0.003 2 768 76 76 GLN HG3 H 2.181 0.003 2 769 76 76 GLN HE21 H 7.426 0.003 2 770 76 76 GLN HE22 H 6.751 0.003 2 771 76 76 GLN CA C 54.344 0.160 1 772 76 76 GLN CB C 31.224 0.160 1 773 76 76 GLN CG C 33.827 0.160 1 774 76 76 GLN N N 122.907 0.130 1 775 76 76 GLN NE2 N 110.645 0.130 1 776 77 77 ASN H H 8.604 0.003 1 777 77 77 ASN HA H 4.631 0.003 1 778 77 77 ASN HB2 H 2.519 0.003 2 779 77 77 ASN HB3 H 2.723 0.003 2 780 77 77 ASN HD21 H 6.670 0.003 2 781 77 77 ASN HD22 H 7.196 0.003 2 782 77 77 ASN CA C 53.665 0.160 1 783 77 77 ASN CB C 37.800 0.160 1 784 77 77 ASN N N 123.222 0.130 1 785 77 77 ASN ND2 N 108.297 0.130 1 786 78 78 LEU H H 8.385 0.003 1 787 78 78 LEU HA H 4.462 0.003 1 788 78 78 LEU HB2 H 1.427 0.003 2 789 78 78 LEU HB3 H 1.427 0.003 2 790 78 78 LEU HG H 1.319 0.003 1 791 78 78 LEU HD1 H 0.683 0.003 1 792 78 78 LEU HD2 H 1.038 0.003 1 793 78 78 LEU CA C 54.399 0.160 1 794 78 78 LEU CB C 40.109 0.160 1 795 78 78 LEU CG C 27.150 0.160 1 796 78 78 LEU CD1 C 26.266 0.160 2 797 78 78 LEU CD2 C 21.540 0.160 2 798 78 78 LEU N N 120.379 0.130 1 799 79 79 GLN H H 9.012 0.003 1 800 79 79 GLN HA H 4.351 0.003 1 801 79 79 GLN HB2 H 2.108 0.003 2 802 79 79 GLN HB3 H 1.825 0.003 2 803 79 79 GLN HG2 H 2.358 0.003 2 804 79 79 GLN HG3 H 2.383 0.003 2 805 79 79 GLN HE21 H 7.388 0.003 2 806 79 79 GLN HE22 H 6.807 0.003 2 807 79 79 GLN CA C 54.189 0.160 1 808 79 79 GLN CB C 30.978 0.160 1 809 79 79 GLN CG C 34.069 0.160 1 810 79 79 GLN N N 119.736 0.130 1 811 79 79 GLN NE2 N 112.059 0.130 1 812 80 80 TYR H H 8.108 0.003 1 813 80 80 TYR HA H 4.407 0.003 1 814 80 80 TYR HB2 H 2.837 0.003 2 815 80 80 TYR HB3 H 2.738 0.003 2 816 80 80 TYR HD1 H 6.571 0.003 3 817 80 80 TYR HD2 H 6.571 0.003 3 818 80 80 TYR HE1 H 6.252 0.003 3 819 80 80 TYR HE2 H 6.252 0.003 3 820 80 80 TYR CA C 57.706 0.160 1 821 80 80 TYR CB C 39.071 0.160 1 822 80 80 TYR CD1 C 132.496 0.160 3 823 80 80 TYR CD2 C 132.496 0.160 3 824 80 80 TYR CE1 C 117.217 0.160 3 825 80 80 TYR CE2 C 117.217 0.160 3 826 80 80 TYR N N 121.366 0.130 1 827 81 81 ALA H H 7.087 0.003 1 828 81 81 ALA HA H 4.293 0.003 1 829 81 81 ALA HB H 0.669 0.003 1 830 81 81 ALA CA C 50.563 0.160 1 831 81 81 ALA CB C 20.178 0.160 1 832 81 81 ALA N N 130.881 0.130 1 833 82 82 VAL H H 8.741 0.003 1 834 82 82 VAL HA H 3.621 0.003 1 835 82 82 VAL HB H 1.834 0.003 1 836 82 82 VAL HG1 H 0.247 0.003 1 837 82 82 VAL HG2 H 0.824 0.003 1 838 82 82 VAL CA C 63.290 0.160 1 839 82 82 VAL CB C 31.566 0.160 1 840 82 82 VAL CG1 C 21.005 0.160 2 841 82 82 VAL CG2 C 21.417 0.160 2 842 82 82 VAL N N 121.155 0.130 1 843 83 83 LEU H H 8.186 0.003 1 844 83 83 LEU HA H 4.675 0.003 1 845 83 83 LEU HB2 H 1.601 0.003 2 846 83 83 LEU HB3 H 1.360 0.003 2 847 83 83 LEU HG H 1.483 0.003 1 848 83 83 LEU HD1 H 0.780 0.003 1 849 83 83 LEU HD2 H 0.780 0.003 1 850 83 83 LEU CA C 53.754 0.160 1 851 83 83 LEU CB C 45.358 0.160 1 852 83 83 LEU CG C 26.994 0.160 1 853 83 83 LEU CD1 C 26.212 0.160 2 854 83 83 LEU CD2 C 26.250 0.160 2 855 83 83 LEU N N 126.312 0.130 1 856 84 84 THR H H 8.562 0.003 1 857 84 84 THR HA H 4.271 0.003 1 858 84 84 THR HB H 4.063 0.003 1 859 84 84 THR HG2 H 1.031 0.003 1 860 84 84 THR CA C 61.429 0.160 1 861 84 84 THR CB C 69.548 0.160 1 862 84 84 THR CG2 C 22.271 0.160 1 863 84 84 THR N N 111.971 0.130 1 864 85 85 ASP H H 8.230 0.003 1 865 85 85 ASP HA H 4.423 0.003 1 866 85 85 ASP HB2 H 2.459 0.003 2 867 85 85 ASP HB3 H 2.565 0.003 2 868 85 85 ASP CA C 53.912 0.160 1 869 85 85 ASP CB C 41.526 0.160 1 870 85 85 ASP N N 120.660 0.130 1 871 86 86 SER H H 8.491 0.003 1 872 86 86 SER HA H 4.760 0.003 1 873 86 86 SER HB2 H 3.305 0.003 2 874 86 86 SER HB3 H 3.854 0.003 2 875 86 86 SER CA C 55.841 0.160 1 876 86 86 SER CB C 65.439 0.160 1 877 86 86 SER N N 111.879 0.130 1 878 87 87 PRO HA H 4.264 0.003 1 879 87 87 PRO HB2 H 1.849 0.003 2 880 87 87 PRO HB3 H 0.753 0.003 2 881 87 87 PRO HG2 H 1.655 0.003 2 882 87 87 PRO HG3 H 1.143 0.003 2 883 87 87 PRO HD2 H 3.452 0.003 2 884 87 87 PRO HD3 H 3.763 0.003 2 885 87 87 PRO CA C 63.136 0.160 1 886 87 87 PRO CB C 31.420 0.160 1 887 87 87 PRO CG C 26.561 0.160 1 888 87 87 PRO CD C 51.212 0.160 1 889 88 88 PHE H H 7.530 0.003 1 890 88 88 PHE HA H 4.850 0.003 1 891 88 88 PHE HB2 H 2.938 0.003 2 892 88 88 PHE HB3 H 1.735 0.003 2 893 88 88 PHE HD1 H 5.914 0.003 3 894 88 88 PHE HD2 H 5.914 0.003 3 895 88 88 PHE HE1 H 6.662 0.003 3 896 88 88 PHE HE2 H 6.662 0.003 3 897 88 88 PHE HZ H 6.334 0.003 1 898 88 88 PHE CA C 55.237 0.160 1 899 88 88 PHE CB C 38.836 0.160 1 900 88 88 PHE CD1 C 129.909 0.160 3 901 88 88 PHE CD2 C 129.909 0.160 3 902 88 88 PHE CE1 C 129.942 0.160 3 903 88 88 PHE CE2 C 129.941 0.160 3 904 88 88 PHE CZ C 128.334 0.160 1 905 88 88 PHE N N 114.380 0.130 1 906 89 89 GLN H H 7.159 0.003 1 907 89 89 GLN HA H 3.508 0.003 1 908 89 89 GLN HB2 H 2.366 0.003 2 909 89 89 GLN HB3 H 1.894 0.003 2 910 89 89 GLN HG2 H 2.302 0.003 2 911 89 89 GLN HG3 H 2.302 0.003 2 912 89 89 GLN HE21 H 6.586 0.003 2 913 89 89 GLN HE22 H 7.948 0.003 2 914 89 89 GLN CA C 59.421 0.160 1 915 89 89 GLN CB C 29.214 0.160 1 916 89 89 GLN CG C 33.148 0.160 1 917 89 89 GLN N N 120.034 0.130 1 918 89 89 GLN NE2 N 114.665 0.130 1 919 90 90 ASP H H 8.613 0.003 1 920 90 90 ASP HA H 4.191 0.003 1 921 90 90 ASP HB2 H 2.616 0.003 2 922 90 90 ASP HB3 H 2.494 0.003 2 923 90 90 ASP CA C 56.751 0.160 1 924 90 90 ASP CB C 39.127 0.160 1 925 90 90 ASP N N 113.912 0.130 1 926 91 91 LYS H H 7.255 0.003 1 927 91 91 LYS HA H 4.037 0.003 1 928 91 91 LYS HB2 H 1.324 0.003 2 929 91 91 LYS HB3 H 1.614 0.003 2 930 91 91 LYS HG2 H 1.087 0.003 2 931 91 91 LYS HG3 H 1.403 0.003 2 932 91 91 LYS HD2 H 1.238 0.003 2 933 91 91 LYS HD3 H 1.193 0.003 2 934 91 91 LYS CA C 58.560 0.160 1 935 91 91 LYS CB C 34.402 0.160 1 936 91 91 LYS CG C 26.136 0.160 1 937 91 91 LYS CD C 29.712 0.160 1 938 91 91 LYS N N 117.511 0.130 1 939 92 92 LEU H H 8.073 0.003 1 940 92 92 LEU HA H 4.192 0.003 1 941 92 92 LEU HB2 H 1.422 0.003 2 942 92 92 LEU HB3 H 1.847 0.003 2 943 92 92 LEU HG H 1.517 0.003 1 944 92 92 LEU HD1 H 0.819 0.003 1 945 92 92 LEU HD2 H 0.663 0.003 1 946 92 92 LEU CA C 57.164 0.160 1 947 92 92 LEU CB C 42.008 0.160 1 948 92 92 LEU CG C 26.496 0.160 1 949 92 92 LEU CD1 C 26.480 0.160 2 950 92 92 LEU CD2 C 22.985 0.160 2 951 92 92 LEU N N 120.101 0.130 1 952 93 93 ASP H H 8.623 0.003 1 953 93 93 ASP HA H 4.303 0.003 1 954 93 93 ASP HB2 H 2.616 0.003 2 955 93 93 ASP HB3 H 2.676 0.003 2 956 93 93 ASP CA C 56.796 0.160 1 957 93 93 ASP CB C 40.124 0.160 1 958 93 93 ASP N N 119.083 0.130 1 959 94 94 ARG H H 7.090 0.003 1 960 94 94 ARG HA H 4.255 0.003 1 961 94 94 ARG HB2 H 1.933 0.003 2 962 94 94 ARG HB3 H 1.933 0.003 2 963 94 94 ARG HG2 H 1.854 0.003 2 964 94 94 ARG HG3 H 1.987 0.003 2 965 94 94 ARG HD2 H 3.208 0.003 2 966 94 94 ARG HD3 H 3.308 0.003 2 967 94 94 ARG HE H 7.518 0.003 1 968 94 94 ARG CA C 56.670 0.160 1 969 94 94 ARG CB C 29.763 0.160 1 970 94 94 ARG CG C 26.829 0.160 1 971 94 94 ARG CD C 43.290 0.160 1 972 94 94 ARG N N 114.229 0.130 1 973 94 94 ARG NE N 83.412 0.130 1 974 95 95 LEU H H 7.586 0.003 1 975 95 95 LEU HA H 3.867 0.003 1 976 95 95 LEU HB2 H 1.937 0.003 2 977 95 95 LEU HB3 H 1.584 0.003 2 978 95 95 LEU HG H 2.179 0.003 1 979 95 95 LEU HD1 H 1.089 0.003 1 980 95 95 LEU HD2 H 1.017 0.003 1 981 95 95 LEU CA C 57.695 0.160 1 982 95 95 LEU CB C 41.667 0.160 1 983 95 95 LEU CG C 27.607 0.160 1 984 95 95 LEU CD1 C 26.298 0.160 2 985 95 95 LEU CD2 C 23.350 0.160 2 986 95 95 LEU N N 114.999 0.130 1 987 96 96 ALA H H 6.963 0.003 1 988 96 96 ALA HA H 4.337 0.003 1 989 96 96 ALA HB H 1.370 0.003 1 990 96 96 ALA CA C 51.941 0.160 1 991 96 96 ALA CB C 19.587 0.160 1 992 96 96 ALA N N 114.369 0.130 1 993 97 97 ASP H H 7.640 0.003 1 994 97 97 ASP HA H 4.720 0.003 1 995 97 97 ASP HB2 H 2.975 0.003 2 996 97 97 ASP HB3 H 2.863 0.003 2 997 97 97 ASP CA C 53.723 0.160 1 998 97 97 ASP CB C 42.898 0.160 1 999 97 97 ASP N N 118.557 0.130 1 1000 98 98 GLU H H 8.202 0.003 1 1001 98 98 GLU HA H 4.932 0.003 1 1002 98 98 GLU HB2 H 1.664 0.003 2 1003 98 98 GLU HB3 H 1.733 0.003 2 1004 98 98 GLU HG2 H 2.240 0.003 2 1005 98 98 GLU HG3 H 2.004 0.003 2 1006 98 98 GLU CA C 54.499 0.160 1 1007 98 98 GLU CB C 31.990 0.160 1 1008 98 98 GLU CG C 36.759 0.160 1 1009 98 98 GLU N N 115.138 0.130 1 1010 99 99 ILE H H 9.169 0.003 1 1011 99 99 ILE HA H 4.581 0.003 1 1012 99 99 ILE HB H 1.487 0.003 1 1013 99 99 ILE HG12 H 1.286 0.003 1 1014 99 99 ILE HG13 H 1.286 0.003 1 1015 99 99 ILE HD1 H 0.867 0.003 1 1016 99 99 ILE CA C 58.233 0.160 1 1017 99 99 ILE CB C 41.741 0.160 1 1018 99 99 ILE CG1 C 28.466 0.160 1 1019 99 99 ILE CD1 C 15.193 0.160 1 1020 99 99 ILE N N 117.154 0.130 1 1021 100 100 ASN H H 9.529 0.003 1 1022 100 100 ASN HA H 4.769 0.003 1 1023 100 100 ASN HB2 H 2.494 0.003 2 1024 100 100 ASN HB3 H 2.608 0.003 2 1025 100 100 ASN HD21 H 7.711 0.003 2 1026 100 100 ASN HD22 H 6.927 0.003 2 1027 100 100 ASN CA C 52.778 0.160 1 1028 100 100 ASN CB C 37.750 0.160 1 1029 100 100 ASN N N 128.798 0.130 1 1030 100 100 ASN ND2 N 113.761 0.130 1 1031 101 101 PRO HA H 3.880 0.003 1 1032 101 101 PRO HB2 H 2.340 0.003 2 1033 101 101 PRO HB3 H 1.666 0.003 2 1034 101 101 PRO HG2 H 1.819 0.003 2 1035 101 101 PRO HG3 H 1.352 0.003 2 1036 101 101 PRO HD2 H 3.371 0.003 2 1037 101 101 PRO HD3 H 3.371 0.003 2 1038 101 101 PRO CA C 64.788 0.160 1 1039 101 101 PRO CB C 31.572 0.160 1 1040 101 101 PRO CG C 27.560 0.160 1 1041 101 101 PRO CD C 50.434 0.160 1 1042 102 102 GLY H H 9.296 0.003 1 1043 102 102 GLY HA2 H 3.521 0.003 2 1044 102 102 GLY HA3 H 4.083 0.003 2 1045 102 102 GLY CA C 45.541 0.160 1 1046 102 102 GLY N N 113.286 0.130 1 1047 103 103 GLU H H 7.990 0.003 1 1048 103 103 GLU HA H 4.334 0.003 1 1049 103 103 GLU HB2 H 2.259 0.003 2 1050 103 103 GLU HB3 H 1.883 0.003 2 1051 103 103 GLU HG2 H 2.257 0.003 2 1052 103 103 GLU HG3 H 2.115 0.003 2 1053 103 103 GLU CA C 56.048 0.160 1 1054 103 103 GLU CB C 32.046 0.160 1 1055 103 103 GLU CG C 37.028 0.160 1 1056 103 103 GLU N N 121.918 0.130 1 1057 104 104 THR H H 8.274 0.003 1 1058 104 104 THR HA H 5.633 0.003 1 1059 104 104 THR HB H 3.717 0.003 1 1060 104 104 THR HG2 H 0.924 0.003 1 1061 104 104 THR CA C 61.439 0.160 1 1062 104 104 THR CB C 70.799 0.160 1 1063 104 104 THR CG2 C 20.576 0.160 1 1064 104 104 THR N N 117.994 0.130 1 1065 105 105 ILE H H 9.287 0.003 1 1066 105 105 ILE HA H 4.661 0.003 1 1067 105 105 ILE HB H 1.764 0.003 1 1068 105 105 ILE HG12 H 1.547 0.003 2 1069 105 105 ILE HG13 H 1.136 0.003 2 1070 105 105 ILE HG2 H 0.868 0.003 1 1071 105 105 ILE HD1 H 0.803 0.003 1 1072 105 105 ILE CA C 57.957 0.160 1 1073 105 105 ILE CB C 43.159 0.160 1 1074 105 105 ILE CG1 C 27.843 0.160 1 1075 105 105 ILE CG2 C 20.455 0.160 1 1076 105 105 ILE CD1 C 15.368 0.160 1 1077 105 105 ILE N N 121.147 0.130 1 1078 106 106 GLN H H 8.187 0.003 1 1079 106 106 GLN HA H 5.051 0.003 1 1080 106 106 GLN HB2 H 1.826 0.003 2 1081 106 106 GLN HB3 H 1.909 0.003 2 1082 106 106 GLN HG2 H 2.206 0.003 2 1083 106 106 GLN HG3 H 2.293 0.003 2 1084 106 106 GLN HE21 H 7.606 0.003 2 1085 106 106 GLN HE22 H 6.813 0.003 2 1086 106 106 GLN CA C 54.356 0.160 1 1087 106 106 GLN CB C 29.428 0.160 1 1088 106 106 GLN CG C 33.806 0.160 1 1089 106 106 GLN N N 120.172 0.130 1 1090 106 106 GLN NE2 N 110.877 0.130 1 1091 107 107 GLY H H 7.603 0.003 1 1092 107 107 GLY HA2 H 2.728 0.003 2 1093 107 107 GLY HA3 H 4.327 0.003 2 1094 107 107 GLY CA C 43.450 0.160 1 1095 107 107 GLY N N 107.295 0.130 1 1096 108 108 ALA H H 7.070 0.003 1 1097 108 108 ALA HA H 5.381 0.003 1 1098 108 108 ALA HB H 0.846 0.003 1 1099 108 108 ALA CA C 50.255 0.160 1 1100 108 108 ALA CB C 23.229 0.160 1 1101 108 108 ALA N N 118.777 0.130 1 1102 109 109 TYR H H 8.826 0.003 1 1103 109 109 TYR HA H 4.974 0.003 1 1104 109 109 TYR HB2 H 3.057 0.003 2 1105 109 109 TYR HB3 H 2.561 0.003 2 1106 109 109 TYR HD1 H 6.014 0.003 3 1107 109 109 TYR HD2 H 6.014 0.003 3 1108 109 109 TYR HE1 H 6.197 0.003 3 1109 109 109 TYR HE2 H 6.197 0.003 3 1110 109 109 TYR CA C 53.835 0.160 1 1111 109 109 TYR CB C 43.864 0.160 1 1112 109 109 TYR CD1 C 132.090 0.160 3 1113 109 109 TYR CD2 C 132.090 0.160 3 1114 109 109 TYR CE1 C 116.861 0.160 3 1115 109 109 TYR CE2 C 116.861 0.160 3 1116 109 109 TYR N N 119.503 0.130 1 1117 110 110 PRO HA H 4.698 0.003 1 1118 110 110 PRO HB2 H 1.386 0.003 2 1119 110 110 PRO HB3 H 1.386 0.003 2 1120 110 110 PRO HG2 H 1.088 0.003 2 1121 110 110 PRO HG3 H 1.088 0.003 2 1122 110 110 PRO HD2 H 2.327 0.003 2 1123 110 110 PRO HD3 H 3.024 0.003 2 1124 110 110 PRO CA C 59.900 0.160 1 1125 110 110 PRO CB C 32.590 0.160 1 1126 110 110 PRO CG C 26.211 0.160 1 1127 110 110 PRO CD C 49.392 0.160 1 1128 111 111 TYR H H 8.549 0.003 1 1129 111 111 TYR HA H 4.635 0.003 1 1130 111 111 TYR HB2 H 0.829 0.003 2 1131 111 111 TYR HB3 H 1.922 0.003 2 1132 111 111 TYR HD1 H 6.303 0.003 3 1133 111 111 TYR HD2 H 6.303 0.003 3 1134 111 111 TYR HE1 H 6.163 0.003 3 1135 111 111 TYR HE2 H 6.163 0.003 3 1136 111 111 TYR CA C 56.766 0.160 1 1137 111 111 TYR CB C 41.651 0.160 1 1138 111 111 TYR CD1 C 132.136 0.160 3 1139 111 111 TYR CD2 C 132.136 0.160 3 1140 111 111 TYR CE1 C 117.108 0.160 3 1141 111 111 TYR CE2 C 117.108 0.160 3 1142 111 111 TYR N N 121.125 0.130 1 1143 112 112 GLU H H 8.684 0.003 1 1144 112 112 GLU HA H 4.053 0.003 1 1145 112 112 GLU HB2 H 1.935 0.003 2 1146 112 112 GLU HB3 H 1.711 0.003 2 1147 112 112 GLU HG2 H 2.211 0.003 2 1148 112 112 GLU HG3 H 2.211 0.003 2 1149 112 112 GLU CA C 55.527 0.160 1 1150 112 112 GLU CB C 30.690 0.160 1 1151 112 112 GLU CG C 34.110 0.160 1 1152 112 112 GLU N N 120.209 0.130 1 1153 113 113 PHE H H 7.304 0.003 1 1154 113 113 PHE HA H 4.184 0.003 1 1155 113 113 PHE HB2 H 2.681 0.003 2 1156 113 113 PHE HB3 H 2.570 0.003 2 1157 113 113 PHE HD1 H 6.953 0.003 3 1158 113 113 PHE HD2 H 6.953 0.003 3 1159 113 113 PHE HE1 H 7.212 0.003 3 1160 113 113 PHE HE2 H 7.212 0.003 3 1161 113 113 PHE CA C 61.112 0.160 1 1162 113 113 PHE CB C 39.856 0.160 1 1163 113 113 PHE CD1 C 130.317 0.160 3 1164 113 113 PHE CD2 C 130.317 0.160 3 1165 113 113 PHE CE1 C 131.635 0.160 3 1166 113 113 PHE CE2 C 131.635 0.160 3 1167 113 113 PHE N N 120.239 0.130 1 1168 114 114 ILE H H 8.087 0.003 1 1169 114 114 ILE HA H 4.056 0.003 1 1170 114 114 ILE HB H 1.638 0.003 1 1171 114 114 ILE HG12 H 0.995 0.003 2 1172 114 114 ILE HG13 H 1.552 0.003 2 1173 114 114 ILE HG2 H 0.710 0.003 1 1174 114 114 ILE HD1 H 0.688 0.003 1 1175 114 114 ILE CA C 64.556 0.160 1 1176 114 114 ILE CB C 37.905 0.160 1 1177 114 114 ILE CG1 C 28.499 0.160 1 1178 114 114 ILE CG2 C 17.468 0.160 1 1179 114 114 ILE CD1 C 14.061 0.160 1 1180 114 114 ILE N N 118.751 0.130 1 1181 115 115 ASN H H 8.469 0.003 1 1182 115 115 ASN HA H 4.717 0.003 1 1183 115 115 ASN HB2 H 2.496 0.003 2 1184 115 115 ASN HB3 H 2.496 0.003 2 1185 115 115 ASN HD21 H 7.070 0.003 2 1186 115 115 ASN HD22 H 7.562 0.003 2 1187 115 115 ASN CA C 52.000 0.160 1 1188 115 115 ASN CB C 40.457 0.160 1 1189 115 115 ASN N N 114.845 0.130 1 1190 115 115 ASN ND2 N 111.328 0.130 1 1191 116 116 GLU H H 9.265 0.003 1 1192 116 116 GLU HA H 2.482 0.003 1 1193 116 116 GLU HB2 H 1.238 0.003 2 1194 116 116 GLU HB3 H 0.991 0.003 2 1195 116 116 GLU HG2 H 1.847 0.003 2 1196 116 116 GLU HG3 H 1.576 0.003 2 1197 116 116 GLU CA C 57.294 0.160 1 1198 116 116 GLU CB C 29.030 0.160 1 1199 116 116 GLU CG C 34.200 0.160 1 1200 116 116 GLU N N 125.239 0.130 1 1201 117 117 ASN H H 8.177 0.003 1 1202 117 117 ASN HA H 4.607 0.003 1 1203 117 117 ASN HB2 H 2.779 0.003 2 1204 117 117 ASN HB3 H 2.489 0.003 2 1205 117 117 ASN HD21 H 6.958 0.003 2 1206 117 117 ASN HD22 H 7.435 0.003 2 1207 117 117 ASN CA C 53.084 0.160 1 1208 117 117 ASN CB C 39.189 0.160 1 1209 117 117 ASN N N 115.333 0.130 1 1210 117 117 ASN ND2 N 113.260 0.130 1 1211 118 118 LYS H H 7.131 0.003 1 1212 118 118 LYS HA H 4.720 0.003 1 1213 118 118 LYS HB2 H 1.851 0.003 2 1214 118 118 LYS HB3 H 1.508 0.003 2 1215 118 118 LYS HG2 H 1.337 0.003 2 1216 118 118 LYS HG3 H 1.131 0.003 2 1217 118 118 LYS HD2 H 1.676 0.003 2 1218 118 118 LYS HD3 H 1.530 0.003 2 1219 118 118 LYS HE2 H 2.856 0.003 2 1220 118 118 LYS HE3 H 2.856 0.003 2 1221 118 118 LYS CA C 52.858 0.160 1 1222 118 118 LYS CB C 34.130 0.160 1 1223 118 118 LYS CG C 25.132 0.160 1 1224 118 118 LYS CD C 28.844 0.160 1 1225 118 118 LYS CE C 42.103 0.160 1 1226 118 118 LYS N N 118.115 0.130 1 1227 119 119 PRO HA H 4.374 0.003 1 1228 119 119 PRO HB2 H 2.017 0.003 2 1229 119 119 PRO HB3 H 1.474 0.003 2 1230 119 119 PRO HG2 H 1.820 0.003 2 1231 119 119 PRO HG3 H 1.820 0.003 2 1232 119 119 PRO HD2 H 3.699 0.003 2 1233 119 119 PRO HD3 H 3.433 0.003 2 1234 119 119 PRO CA C 62.414 0.160 1 1235 119 119 PRO CB C 33.189 0.160 1 1236 119 119 PRO CG C 27.615 0.160 1 1237 119 119 PRO CD C 50.413 0.160 1 1238 120 120 VAL H H 8.969 0.003 1 1239 120 120 VAL HA H 4.128 0.003 1 1240 120 120 VAL HB H 1.762 0.003 1 1241 120 120 VAL HG1 H 0.322 0.003 1 1242 120 120 VAL HG2 H 0.641 0.003 1 1243 120 120 VAL CA C 61.730 0.160 1 1244 120 120 VAL CB C 33.590 0.160 1 1245 120 120 VAL CG1 C 24.167 0.160 2 1246 120 120 VAL CG2 C 22.382 0.160 2 1247 120 120 VAL N N 121.881 0.130 1 1248 121 121 HIS H H 8.936 0.003 1 1249 121 121 HIS HA H 4.813 0.003 1 1250 121 121 HIS HB2 H 2.905 0.003 2 1251 121 121 HIS HB3 H 2.968 0.003 2 1252 121 121 HIS HD2 H 6.790 0.003 1 1253 121 121 HIS HE1 H 8.234 0.003 1 1254 121 121 HIS CA C 55.260 0.160 1 1255 121 121 HIS CB C 30.080 0.160 1 1256 121 121 HIS CD2 C 118.248 0.160 1 1257 121 121 HIS CE1 C 135.988 0.160 1 1258 121 121 HIS N N 124.718 0.130 1 1259 122 122 PHE H H 8.926 0.003 1 1260 122 122 PHE HA H 4.387 0.003 1 1261 122 122 PHE HB2 H 2.078 0.003 2 1262 122 122 PHE HB3 H 2.862 0.003 2 1263 122 122 PHE HD1 H 7.016 0.003 3 1264 122 122 PHE HD2 H 7.016 0.003 3 1265 122 122 PHE HE1 H 6.851 0.003 3 1266 122 122 PHE HE2 H 6.851 0.003 3 1267 122 122 PHE CA C 56.676 0.160 1 1268 122 122 PHE CB C 41.204 0.160 1 1269 122 122 PHE CD1 C 131.330 0.160 3 1270 122 122 PHE CD2 C 131.330 0.160 3 1271 122 122 PHE CE1 C 129.927 0.160 3 1272 122 122 PHE CE2 C 129.927 0.160 3 1273 122 122 PHE N N 124.491 0.130 1 1274 123 123 LYS H H 8.355 0.003 1 1275 123 123 LYS HA H 4.491 0.003 1 1276 123 123 LYS HB2 H 1.411 0.003 2 1277 123 123 LYS HB3 H 1.411 0.003 2 1278 123 123 LYS HG2 H 1.064 0.003 2 1279 123 123 LYS HG3 H 1.109 0.003 2 1280 123 123 LYS CA C 54.386 0.160 1 1281 123 123 LYS CB C 35.798 0.160 1 1282 123 123 LYS CG C 25.070 0.160 1 1283 123 123 LYS N N 120.406 0.130 1 1284 124 124 PHE H H 8.202 0.003 1 1285 124 124 PHE HA H 5.526 0.003 1 1286 124 124 PHE HB2 H 2.957 0.003 2 1287 124 124 PHE HB3 H 2.087 0.003 2 1288 124 124 PHE HD1 H 6.437 0.003 3 1289 124 124 PHE HD2 H 6.437 0.003 3 1290 124 124 PHE HE1 H 6.673 0.003 3 1291 124 124 PHE HE2 H 6.673 0.003 3 1292 124 124 PHE CA C 56.522 0.160 1 1293 124 124 PHE CB C 41.736 0.160 1 1294 124 124 PHE CD2 C 130.015 0.160 3 1295 124 124 PHE CE2 C 130.015 0.160 3 1296 124 124 PHE N N 120.066 0.130 1 1297 125 125 ARG H H 8.873 0.003 1 1298 125 125 ARG HA H 4.653 0.003 1 1299 125 125 ARG HB2 H 1.755 0.003 2 1300 125 125 ARG HB3 H 1.924 0.003 2 1301 125 125 ARG HG2 H 1.309 0.003 2 1302 125 125 ARG HG3 H 1.520 0.003 2 1303 125 125 ARG HD2 H 2.924 0.003 2 1304 125 125 ARG HD3 H 2.924 0.003 2 1305 125 125 ARG CA C 55.400 0.160 1 1306 125 125 ARG CB C 33.254 0.160 1 1307 125 125 ARG CG C 28.120 0.160 1 1308 125 125 ARG CD C 43.754 0.160 1 1309 125 125 ARG N N 120.944 0.130 1 1310 127 127 ARG HA H 4.349 0.003 1 1311 127 127 ARG HB2 H 1.840 0.003 2 1312 127 127 ARG HB3 H 1.856 0.003 2 1313 127 127 ARG HG2 H 1.434 0.003 2 1314 127 127 ARG HG3 H 1.386 0.003 2 1315 127 127 ARG HD2 H 3.038 0.003 2 1316 127 127 ARG HD3 H 3.038 0.003 2 1317 127 127 ARG HE H 7.459 0.003 1 1318 127 127 ARG CA C 54.368 0.160 1 1319 127 127 ARG CB C 31.812 0.160 1 1320 127 127 ARG CG C 26.267 0.160 1 1321 127 127 ARG CD C 43.666 0.160 1 1322 127 127 ARG NE N 84.277 0.130 1 1323 130 130 SER H H 7.687 0.003 1 1324 130 130 SER HA H 4.112 0.003 1 1325 130 130 SER HB2 H 3.709 0.003 2 1326 130 130 SER HB3 H 3.872 0.003 2 1327 130 130 SER CA C 58.364 0.160 1 1328 130 130 SER CB C 63.493 0.160 1 1329 130 130 SER N N 111.054 0.130 1 1330 131 131 LEU HA H 4.352 0.003 1 1331 131 131 LEU HB2 H 1.556 0.003 2 1332 131 131 LEU HB3 H 1.556 0.003 2 1333 131 131 LEU HG H 1.516 0.003 1 1334 131 131 LEU HD1 H 0.742 0.003 1 1335 131 131 LEU HD2 H 0.801 0.003 1 1336 131 131 LEU CA C 54.468 0.160 1 1337 131 131 LEU CB C 41.982 0.160 1 1338 131 131 LEU CG C 27.058 0.160 1 1339 131 131 LEU CD1 C 23.397 0.160 2 1340 131 131 LEU CD2 C 25.227 0.160 2 1341 132 132 ASP H H 8.098 0.003 1 1342 132 132 ASP HA H 4.545 0.003 1 1343 132 132 ASP HB2 H 2.686 0.003 2 1344 132 132 ASP HB3 H 2.393 0.003 2 1345 132 132 ASP CA C 54.078 0.160 1 1346 132 132 ASP CB C 42.334 0.160 1 1347 132 132 ASP N N 119.611 0.130 1 1348 133 133 GLU HA H 4.373 0.003 1 1349 133 133 GLU HB2 H 1.900 0.003 2 1350 133 133 GLU HB3 H 1.740 0.003 2 1351 133 133 GLU HG2 H 2.201 0.003 2 1352 133 133 GLU HG3 H 2.201 0.003 2 1353 133 133 GLU CA C 54.400 0.160 1 1354 133 133 GLU CB C 29.351 0.160 1 1355 133 133 GLU CG C 35.740 0.160 1 1356 134 134 PRO HA H 4.324 0.003 1 1357 134 134 PRO HB2 H 1.764 0.003 2 1358 134 134 PRO HB3 H 2.033 0.003 2 1359 134 134 PRO HG2 H 1.650 0.003 2 1360 134 134 PRO HG3 H 1.888 0.003 2 1361 134 134 PRO HD2 H 3.541 0.003 2 1362 134 134 PRO HD3 H 3.657 0.003 2 1363 134 134 PRO CA C 63.209 0.160 1 1364 134 134 PRO CB C 32.108 0.160 1 1365 134 134 PRO CG C 27.689 0.160 1 1366 134 134 PRO CD C 50.416 0.160 1 1367 135 135 ILE H H 8.616 0.003 1 1368 135 135 ILE HA H 3.940 0.003 1 1369 135 135 ILE HB H 1.528 0.003 1 1370 135 135 ILE HG12 H 0.968 0.003 2 1371 135 135 ILE HG13 H 1.265 0.003 2 1372 135 135 ILE HG2 H 0.688 0.003 1 1373 135 135 ILE HD1 H 0.565 0.003 1 1374 135 135 ILE CA C 61.885 0.160 1 1375 135 135 ILE CB C 39.231 0.160 1 1376 135 135 ILE CG1 C 27.859 0.160 1 1377 135 135 ILE CG2 C 17.831 0.160 1 1378 135 135 ILE CD1 C 13.772 0.160 1 1379 135 135 ILE N N 118.841 0.130 1 1380 136 136 ALA H H 7.498 0.003 1 1381 136 136 ALA HA H 4.489 0.003 1 1382 136 136 ALA HB H 1.217 0.003 1 1383 136 136 ALA CA C 51.399 0.160 1 1384 136 136 ALA CB C 23.733 0.160 1 1385 136 136 ALA N N 116.964 0.130 1 1386 137 137 SER H H 8.301 0.003 1 1387 137 137 SER HA H 5.311 0.003 1 1388 137 137 SER HB2 H 3.594 0.003 2 1389 137 137 SER HB3 H 3.663 0.003 2 1390 137 137 SER CA C 57.052 0.160 1 1391 137 137 SER CB C 66.300 0.160 1 1392 137 137 SER N N 111.352 0.130 1 1393 138 138 GLU H H 9.008 0.003 1 1394 138 138 GLU HA H 4.471 0.003 1 1395 138 138 GLU HB2 H 2.053 0.003 2 1396 138 138 GLU HB3 H 1.795 0.003 2 1397 138 138 GLU HG2 H 2.083 0.003 2 1398 138 138 GLU HG3 H 2.335 0.003 2 1399 138 138 GLU CA C 56.529 0.160 1 1400 138 138 GLU CB C 34.325 0.160 1 1401 138 138 GLU CG C 36.284 0.160 1 1402 138 138 GLU N N 120.270 0.130 1 1403 139 139 GLU H H 8.647 0.003 1 1404 139 139 GLU HA H 5.147 0.003 1 1405 139 139 GLU HB2 H 1.782 0.003 2 1406 139 139 GLU HB3 H 1.782 0.003 2 1407 139 139 GLU HG2 H 1.910 0.003 2 1408 139 139 GLU HG3 H 1.822 0.003 2 1409 139 139 GLU CA C 54.777 0.160 1 1410 139 139 GLU CB C 30.980 0.160 1 1411 139 139 GLU CG C 36.676 0.160 1 1412 139 139 GLU N N 124.822 0.130 1 1413 140 140 ILE H H 9.209 0.003 1 1414 140 140 ILE HA H 4.233 0.003 1 1415 140 140 ILE HB H 1.486 0.003 1 1416 140 140 ILE HG12 H 1.295 0.003 2 1417 140 140 ILE HG13 H 0.693 0.003 2 1418 140 140 ILE HG2 H 0.555 0.003 1 1419 140 140 ILE HD1 H 0.012 0.003 1 1420 140 140 ILE CA C 61.156 0.160 1 1421 140 140 ILE CB C 41.994 0.160 1 1422 140 140 ILE CG1 C 27.816 0.160 1 1423 140 140 ILE CG2 C 17.096 0.160 1 1424 140 140 ILE CD1 C 11.971 0.160 1 1425 140 140 ILE N N 124.822 0.130 1 1426 141 141 THR H H 8.659 0.003 1 1427 141 141 THR HA H 4.241 0.003 1 1428 141 141 THR HB H 3.890 0.003 1 1429 141 141 THR HG2 H 0.906 0.003 1 1430 141 141 THR CA C 62.843 0.160 1 1431 141 141 THR CB C 68.621 0.160 1 1432 141 141 THR CG2 C 21.176 0.160 1 1433 141 141 THR N N 124.142 0.130 1 1434 142 142 ILE H H 8.761 0.003 1 1435 142 142 ILE HA H 3.894 0.003 1 1436 142 142 ILE HB H 1.724 0.003 1 1437 142 142 ILE HG12 H 0.971 0.003 2 1438 142 142 ILE HG13 H 0.747 0.003 2 1439 142 142 ILE HG2 H 0.714 0.003 1 1440 142 142 ILE HD1 H -0.072 0.003 1 1441 142 142 ILE CA C 61.555 0.160 1 1442 142 142 ILE CB C 37.917 0.160 1 1443 142 142 ILE CG1 C 27.846 0.160 1 1444 142 142 ILE CG2 C 17.783 0.160 1 1445 142 142 ILE CD1 C 13.092 0.160 1 1446 142 142 ILE N N 129.932 0.130 1 1447 143 143 THR H H 7.635 0.003 1 1448 143 143 THR HA H 4.102 0.003 1 1449 143 143 THR HB H 4.192 0.003 1 1450 143 143 THR HG2 H 1.001 0.003 1 1451 143 143 THR CA C 62.585 0.160 1 1452 143 143 THR CB C 70.832 0.160 1 1453 143 143 THR CG2 C 22.152 0.160 1 1454 143 143 THR N N 123.540 0.130 1 stop_ save_