data_17579 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; H/ACA RNP protein Nhp2p ; _BMRB_accession_number 17579 _BMRB_flat_file_name bmr17579.str _Entry_type original _Submission_date 2011-04-07 _Accession_date 2011-04-07 _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 Koo Bon-Kyung . . 2 Park Chin-Ju . . 3 Fernandez Cesar F. . 4 Chim Nicholas . . 5 Ding Yi . . 6 Chanfreau Guillaume . . 7 Feigon Juli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 529 "13C chemical shifts" 430 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2011-06-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17578 'H/ACA RNP protein Nhp2p-S82W mutant' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of H/ACA RNP protein Nhp2p reveals cis/trans isomerization of a conserved proline at the RNA and Nop10 binding interface.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21708174 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koo Bon-Kyung . . 2 Park Chin-Ju . . 3 Fernandez Cesar F. . 4 Chim Nicholas . . 5 Ding Yi . . 6 Chanfreau Guillaume . . 7 Feigon Juli . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 411 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 927 _Page_last 942 _Year 2011 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_1 _Saveframe_category citation _Citation_full . _Citation_title 'Crystal structure of an H/ACA box ribonucleoprotein particle' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16943774 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Ling . . 2 Ye Keqiong . . stop_ _Journal_abbreviation Nature _Journal_name_full . _Journal_volume 443 _Journal_issue 21 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 302 _Page_last 307 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'H/ACA RNP protein Nhp2p' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Nhp2p $Nhp2p 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_Nhp2p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nhp2p _Molecular_mass 13207.657 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; SKKLNKKVLKTVKKASKAKN VKRGVKEVVKALRKGEKGLV VIAGDISPADVISHIPVLCE DHSVPYIFIPSKQDLGAAGA TKRPTSVVFIVPGSNKKKDG KNKEEEYKESFNEVVKEVQA L ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 36 SER 2 37 LYS 3 38 LYS 4 39 LEU 5 40 ASN 6 41 LYS 7 42 LYS 8 43 VAL 9 44 LEU 10 45 LYS 11 46 THR 12 47 VAL 13 48 LYS 14 49 LYS 15 50 ALA 16 51 SER 17 52 LYS 18 53 ALA 19 54 LYS 20 55 ASN 21 56 VAL 22 57 LYS 23 58 ARG 24 59 GLY 25 60 VAL 26 61 LYS 27 62 GLU 28 63 VAL 29 64 VAL 30 65 LYS 31 66 ALA 32 67 LEU 33 68 ARG 34 69 LYS 35 70 GLY 36 71 GLU 37 72 LYS 38 73 GLY 39 74 LEU 40 75 VAL 41 76 VAL 42 77 ILE 43 78 ALA 44 79 GLY 45 80 ASP 46 81 ILE 47 82 SER 48 83 PRO 49 84 ALA 50 85 ASP 51 86 VAL 52 87 ILE 53 88 SER 54 89 HIS 55 90 ILE 56 91 PRO 57 92 VAL 58 93 LEU 59 94 CYS 60 95 GLU 61 96 ASP 62 97 HIS 63 98 SER 64 99 VAL 65 100 PRO 66 101 TYR 67 102 ILE 68 103 PHE 69 104 ILE 70 105 PRO 71 106 SER 72 107 LYS 73 108 GLN 74 109 ASP 75 110 LEU 76 111 GLY 77 112 ALA 78 113 ALA 79 114 GLY 80 115 ALA 81 116 THR 82 117 LYS 83 118 ARG 84 119 PRO 85 120 THR 86 121 SER 87 122 VAL 88 123 VAL 89 124 PHE 90 125 ILE 91 126 VAL 92 127 PRO 93 128 GLY 94 129 SER 95 130 ASN 96 131 LYS 97 132 LYS 98 133 LYS 99 134 ASP 100 135 GLY 101 136 LYS 102 137 ASN 103 138 LYS 104 139 GLU 105 140 GLU 106 141 GLU 107 142 TYR 108 143 LYS 109 144 GLU 110 145 SER 111 146 PHE 112 147 ASN 113 148 GLU 114 149 VAL 115 150 VAL 116 151 LYS 117 152 GLU 118 153 VAL 119 154 GLN 120 155 ALA 121 156 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17578 Nhp2p-S82W 100.00 121 99.17 99.17 3.67e-76 PDB 2LBW "Solution Structure Of The S. Cerevisiae HACA RNP PROTEIN NHP2P-S82w Mutant" 100.00 121 99.17 99.17 3.67e-76 PDB 2LBX "Solution Structure Of The S. Cerevisiae HACA RNP PROTEIN NHP2P" 100.00 121 100.00 100.00 5.38e-77 DBJ GAA22045 "K7_Nhp2p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 156 100.00 100.00 1.05e-76 EMBL CAA40885 "high mobility group-like nuclear protein 2 [Saccharomyces cerevisiae]" 100.00 173 100.00 100.00 6.94e-77 EMBL CAA67483 "high-mobility-group-like protein [Saccharomyces cerevisiae]" 100.00 173 100.00 100.00 6.94e-77 EMBL CAA98786 "NHP2 [Saccharomyces cerevisiae]" 100.00 173 100.00 100.00 6.94e-77 EMBL CAY79077 "Nhp2p [Saccharomyces cerevisiae EC1118]" 100.00 156 100.00 100.00 1.05e-76 GB AHY74809 "Nhp2p [Saccharomyces cerevisiae YJM993]" 100.00 156 100.00 100.00 1.05e-76 GB AJP37550 "Nhp2p [Saccharomyces cerevisiae YJM1078]" 100.00 156 100.00 100.00 1.05e-76 GB AJU57662 "Nhp2p [Saccharomyces cerevisiae YJM189]" 100.00 156 100.00 100.00 1.05e-76 GB AJU58365 "Nhp2p [Saccharomyces cerevisiae YJM193]" 100.00 156 100.00 100.00 1.05e-76 GB AJU59054 "Nhp2p [Saccharomyces cerevisiae YJM195]" 100.00 156 100.00 100.00 1.05e-76 REF NP_010073 "snoRNA-binding protein NHP2 [Saccharomyces cerevisiae S288c]" 100.00 156 100.00 100.00 1.05e-76 SP P32495 "RecName: Full=H/ACA ribonucleoprotein complex subunit 2; AltName: Full=H/ACA snoRNP protein NHP2; AltName: Full=High mobility g" 100.00 156 100.00 100.00 1.05e-76 TPG DAA11656 "TPA: snoRNA-binding protein NHP2 [Saccharomyces cerevisiae S288c]" 100.00 156 100.00 100.00 1.05e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nhp2p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Nhp2p 'recombinant technology' . Saccharomyces cerevisiae . pET24a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nhp2p 20 mM '[U-13C; U-15N]' 'potassium chloride' 200 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nhp2p 20 mM [U-15N] 'potassium chloride' 200 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_13C_15N_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nhp2p 20 mM '[U-13C; U-15N]' 'potassium chloride' 200 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N_sample save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N_sample save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_sample save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N_sample save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N_sample save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C_15N_sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_sample save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_sample save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_15N_sample save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C_15N_sample 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' 0.2 . M pH 7.4 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '2D 1H-15N HSQC' '3D C(CO)NH' stop_ loop_ _Sample_label $13C_15N_sample $15N_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Nhp2p _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 36 1 SER HA H 4.681 0.03 1 2 36 1 SER HB3 H 3.949 0.03 2 3 36 1 SER H H 8.064 0.03 1 4 36 1 SER CA C 61.840 0.30 1 5 36 1 SER CB C 63.199 0.30 1 6 36 1 SER N N 116.365 0.30 1 7 37 2 LYS H H 7.564 0.03 1 8 37 2 LYS HA H 4.053 0.03 1 9 37 2 LYS HB2 H 1.908 0.03 2 10 37 2 LYS HG2 H 1.532 0.03 2 11 37 2 LYS HD2 H 1.750 0.03 2 12 37 2 LYS HE2 H 2.969 0.03 2 13 37 2 LYS C C 172.929 0.30 1 14 37 2 LYS CA C 60.975 0.30 1 15 37 2 LYS CB C 32.607 0.30 1 16 37 2 LYS CG C 25.560 0.30 1 17 37 2 LYS CD C 29.860 0.30 1 18 37 2 LYS N N 124.936 0.30 1 19 38 3 LYS H H 8.234 0.03 1 20 38 3 LYS HA H 4.045 0.03 1 21 38 3 LYS HB2 H 1.782 0.03 2 22 38 3 LYS HB3 H 1.756 0.03 2 23 38 3 LYS HG2 H 1.607 0.03 2 24 38 3 LYS HG3 H 1.413 0.03 2 25 38 3 LYS HE3 H 2.980 0.03 2 26 38 3 LYS C C 179.361 0.30 1 27 38 3 LYS CA C 59.930 0.30 1 28 38 3 LYS CB C 32.885 0.30 1 29 38 3 LYS CG C 25.759 0.30 1 30 38 3 LYS CD C 29.789 0.30 1 31 38 3 LYS N N 118.300 0.30 1 32 39 4 LEU H H 7.856 0.03 1 33 39 4 LEU HA H 4.135 0.03 1 34 39 4 LEU HB2 H 1.804 0.03 2 35 39 4 LEU HB3 H 1.649 0.03 2 36 39 4 LEU HG H 1.343 0.03 1 37 39 4 LEU HD1 H 0.880 0.03 4 38 39 4 LEU C C 178.433 0.30 1 39 39 4 LEU CA C 57.726 0.30 1 40 39 4 LEU CB C 40.588 0.30 1 41 39 4 LEU CG C 27.130 0.30 1 42 39 4 LEU CD1 C 23.377 0.30 2 43 39 4 LEU N N 122.081 0.30 1 44 40 5 ASN H H 9.241 0.03 1 45 40 5 ASN HA H 3.994 0.03 1 46 40 5 ASN HB2 H 2.794 0.03 2 47 40 5 ASN HB3 H 2.474 0.03 2 48 40 5 ASN HD21 H 6.739 0.03 2 49 40 5 ASN HD22 H 7.493 0.03 2 50 40 5 ASN C C 176.246 0.30 1 51 40 5 ASN CA C 57.843 0.30 1 52 40 5 ASN CB C 40.430 0.30 1 53 40 5 ASN N N 118.758 0.30 1 54 40 5 ASN ND2 N 111.849 0.30 1 55 41 6 LYS H H 7.239 0.03 1 56 41 6 LYS HA H 3.929 0.03 1 57 41 6 LYS HB2 H 1.906 0.03 2 58 41 6 LYS HG2 H 1.428 0.03 2 59 41 6 LYS HD2 H 1.646 0.03 2 60 41 6 LYS HE2 H 2.959 0.03 2 61 41 6 LYS C C 179.318 0.30 1 62 41 6 LYS CA C 60.130 0.30 1 63 41 6 LYS CB C 32.580 0.30 1 64 41 6 LYS CG C 25.551 0.30 1 65 41 6 LYS CD C 29.750 0.30 1 66 41 6 LYS N N 115.665 0.30 1 67 42 7 LYS H H 7.358 0.03 1 68 42 7 LYS HA H 4.037 0.03 1 69 42 7 LYS HB2 H 1.872 0.03 2 70 42 7 LYS HB3 H 1.893 0.03 2 71 42 7 LYS HG2 H 1.634 0.03 2 72 42 7 LYS HG3 H 1.365 0.03 2 73 42 7 LYS HE2 H 2.852 0.03 2 74 42 7 LYS C C 180.428 0.30 1 75 42 7 LYS CA C 60.178 0.30 1 76 42 7 LYS CB C 33.670 0.30 1 77 42 7 LYS CG C 26.004 0.30 1 78 42 7 LYS CD C 30.369 0.30 1 79 42 7 LYS CE C 42.343 0.30 1 80 42 7 LYS N N 119.038 0.30 1 81 43 8 VAL H H 9.167 0.03 1 82 43 8 VAL HA H 3.263 0.03 1 83 43 8 VAL HB H 2.175 0.03 1 84 43 8 VAL HG1 H 0.890 0.03 4 85 43 8 VAL HG2 H 0.772 0.03 4 86 43 8 VAL C C 177.823 0.30 1 87 43 8 VAL CA C 67.836 0.30 1 88 43 8 VAL CB C 31.523 0.30 1 89 43 8 VAL CG1 C 20.944 0.30 2 90 43 8 VAL N N 122.489 0.30 1 91 44 9 LEU H H 8.437 0.03 1 92 44 9 LEU HA H 3.964 0.03 1 93 44 9 LEU HB2 H 1.816 0.03 2 94 44 9 LEU HG H 1.340 0.03 1 95 44 9 LEU HD1 H 0.881 0.03 4 96 44 9 LEU HD2 H 0.512 0.03 2 97 44 9 LEU C C 179.700 0.30 1 98 44 9 LEU CA C 58.742 0.30 1 99 44 9 LEU CB C 41.239 0.30 1 100 44 9 LEU CG C 27.141 0.30 1 101 44 9 LEU CD1 C 23.525 0.30 2 102 44 9 LEU CD2 C 23.379 0.30 2 103 44 9 LEU N N 119.740 0.30 1 104 45 10 LYS H H 7.857 0.03 1 105 45 10 LYS HA H 4.013 0.03 1 106 45 10 LYS HB2 H 1.902 0.03 2 107 45 10 LYS HG2 H 1.376 0.03 2 108 45 10 LYS HD2 H 1.675 0.03 2 109 45 10 LYS HE2 H 2.955 0.03 2 110 45 10 LYS C C 178.847 0.30 1 111 45 10 LYS CA C 60.146 0.30 1 112 45 10 LYS CB C 32.583 0.30 1 113 45 10 LYS CG C 25.717 0.30 1 114 45 10 LYS CD C 29.995 0.30 1 115 45 10 LYS N N 119.832 0.30 1 116 46 11 THR H H 7.796 0.03 1 117 46 11 THR HA H 4.327 0.03 1 118 46 11 THR HB H 3.817 0.03 1 119 46 11 THR HG2 H 1.342 0.03 1 120 46 11 THR C C 176.211 0.30 1 121 46 11 THR CA C 68.237 0.30 1 122 46 11 THR CB C 68.312 0.30 1 123 46 11 THR CG2 C 22.060 0.30 1 124 46 11 THR N N 116.695 0.30 1 125 47 12 VAL H H 8.762 0.03 1 126 47 12 VAL HA H 3.235 0.03 1 127 47 12 VAL HB H 2.130 0.03 1 128 47 12 VAL HG1 H 0.863 0.03 4 129 47 12 VAL HG2 H 0.728 0.03 4 130 47 12 VAL C C 177.909 0.30 1 131 47 12 VAL CA C 67.838 0.30 1 132 47 12 VAL CB C 31.706 0.30 1 133 47 12 VAL CG1 C 23.961 0.30 2 134 47 12 VAL CG2 C 21.590 0.30 2 135 47 12 VAL N N 122.013 0.30 1 136 48 13 LYS H H 7.492 0.03 1 137 48 13 LYS HA H 3.828 0.03 1 138 48 13 LYS HB2 H 1.848 0.03 2 139 48 13 LYS HB3 H 1.747 0.03 2 140 48 13 LYS HG2 H 1.485 0.03 2 141 48 13 LYS CA C 59.960 0.30 1 142 48 13 LYS CB C 32.837 0.30 1 143 48 13 LYS CG C 25.431 0.30 1 144 48 13 LYS CD C 30.070 0.30 1 145 48 13 LYS N N 118.035 0.30 1 146 49 14 LYS H H 7.498 0.03 1 147 49 14 LYS HA H 3.952 0.03 1 148 49 14 LYS HB3 H 1.714 0.03 2 149 49 14 LYS HG2 H 1.585 0.03 2 150 49 14 LYS HE2 H 2.973 0.03 2 151 49 14 LYS C C 179.608 0.30 1 152 49 14 LYS CA C 59.950 0.30 1 153 49 14 LYS CB C 33.723 0.30 1 154 49 14 LYS CG C 26.285 0.30 1 155 49 14 LYS CD C 30.130 0.30 1 156 49 14 LYS N N 120.565 0.30 1 157 50 15 ALA H H 8.529 0.03 1 158 50 15 ALA HA H 3.467 0.03 1 159 50 15 ALA HB H 0.853 0.03 1 160 50 15 ALA C C 179.970 0.30 1 161 50 15 ALA CA C 54.950 0.30 1 162 50 15 ALA CB C 19.270 0.30 1 163 50 15 ALA N N 122.192 0.30 1 164 51 16 SER H H 8.542 0.03 1 165 51 16 SER HA H 4.696 0.03 1 166 51 16 SER HB2 H 4.044 0.03 2 167 51 16 SER HB3 H 3.913 0.03 2 168 51 16 SER C C 178.705 0.30 1 169 51 16 SER CA C 62.206 0.30 1 170 51 16 SER CB C 62.918 0.30 1 171 51 16 SER N N 116.624 0.30 1 172 52 17 LYS H H 7.553 0.03 1 173 52 17 LYS HA H 4.051 0.03 1 174 52 17 LYS HB2 H 1.928 0.03 2 175 52 17 LYS HG2 H 1.555 0.03 2 176 52 17 LYS C C 177.563 0.30 1 177 52 17 LYS CA C 59.290 0.30 1 178 52 17 LYS CB C 32.104 0.30 1 179 52 17 LYS CG C 25.607 0.30 1 180 52 17 LYS CD C 29.653 0.30 1 181 52 17 LYS N N 124.866 0.30 1 182 53 18 ALA H H 7.092 0.03 1 183 53 18 ALA HA H 4.280 0.03 1 184 53 18 ALA HB H 1.456 0.03 1 185 53 18 ALA C C 175.253 0.30 1 186 53 18 ALA CA C 52.222 0.30 1 187 53 18 ALA CB C 19.566 0.30 1 188 53 18 ALA N N 118.801 0.30 1 189 54 19 LYS H H 7.644 0.03 1 190 54 19 LYS HA H 4.027 0.03 1 191 54 19 LYS HB2 H 2.074 0.03 2 192 54 19 LYS HB3 H 1.914 0.03 2 193 54 19 LYS HG2 H 1.378 0.03 2 194 54 19 LYS C C 177.191 0.30 1 195 54 19 LYS CA C 57.435 0.30 1 196 54 19 LYS CB C 28.420 0.30 1 197 54 19 LYS CG C 25.503 0.30 1 198 54 19 LYS N N 112.119 0.30 1 199 55 20 ASN H H 8.099 0.03 1 200 55 20 ASN HA H 5.090 0.03 1 201 55 20 ASN HB2 H 3.177 0.03 2 202 55 20 ASN HB3 H 2.255 0.03 2 203 55 20 ASN C C 173.176 0.30 1 204 55 20 ASN CA C 51.617 0.30 1 205 55 20 ASN CB C 40.642 0.30 1 206 55 20 ASN N N 116.236 0.30 1 207 56 21 VAL H H 7.621 0.03 1 208 56 21 VAL HA H 4.864 0.03 1 209 56 21 VAL HB H 1.798 0.03 1 210 56 21 VAL HG2 H 0.665 0.03 4 211 56 21 VAL C C 175.526 0.30 1 212 56 21 VAL CA C 61.314 0.30 1 213 56 21 VAL CB C 35.532 0.30 1 214 56 21 VAL CG1 C 23.154 0.30 2 215 56 21 VAL N N 115.268 0.30 1 216 57 22 LYS H H 9.006 0.03 1 217 57 22 LYS HA H 4.682 0.03 1 218 57 22 LYS HB2 H 1.838 0.03 2 219 57 22 LYS HB3 H 1.657 0.03 2 220 57 22 LYS HG2 H 1.419 0.03 2 221 57 22 LYS HE2 H 2.989 0.03 2 222 57 22 LYS C C 175.564 0.30 1 223 57 22 LYS CA C 54.694 0.30 1 224 57 22 LYS CB C 33.975 0.30 1 225 57 22 LYS CG C 25.913 0.30 1 226 57 22 LYS CD C 29.166 0.30 1 227 57 22 LYS N N 126.903 0.30 1 228 58 23 ARG H H 8.994 0.03 1 229 58 23 ARG HA H 4.850 0.03 1 230 58 23 ARG HB2 H 1.741 0.03 2 231 58 23 ARG HB3 H 1.640 0.03 2 232 58 23 ARG HG2 H 1.552 0.03 2 233 58 23 ARG HD2 H 3.195 0.03 2 234 58 23 ARG C C 176.136 0.30 1 235 58 23 ARG CA C 56.100 0.30 1 236 58 23 ARG CB C 33.752 0.30 1 237 58 23 ARG CG C 28.285 0.30 1 238 58 23 ARG CD C 43.724 0.30 1 239 58 23 ARG N N 122.053 0.30 1 240 59 24 GLY H H 8.205 0.03 1 241 59 24 GLY HA2 H 4.433 0.03 2 242 59 24 GLY HA3 H 4.161 0.03 2 243 59 24 GLY C C 173.053 0.30 1 244 59 24 GLY CA C 45.028 0.30 1 245 59 24 GLY N N 110.836 0.30 1 246 60 25 VAL H H 8.219 0.03 1 247 60 25 VAL HA H 4.117 0.03 1 248 60 25 VAL HB H 1.955 0.03 1 249 60 25 VAL HG1 H 0.943 0.03 4 250 60 25 VAL C C 176.366 0.30 1 251 60 25 VAL CA C 67.542 0.30 1 252 60 25 VAL CB C 32.147 0.30 1 253 60 25 VAL N N 119.573 0.30 1 254 61 26 LYS H H 8.112 0.03 1 255 61 26 LYS HA H 3.896 0.03 1 256 61 26 LYS HB2 H 1.852 0.03 2 257 61 26 LYS HG2 H 1.672 0.03 2 258 61 26 LYS HE2 H 2.967 0.03 2 259 61 26 LYS C C 180.230 0.30 1 260 61 26 LYS CA C 60.492 0.30 1 261 61 26 LYS CB C 32.356 0.30 1 262 61 26 LYS CG C 25.795 0.30 1 263 61 26 LYS CD C 29.768 0.30 1 264 61 26 LYS N N 117.987 0.30 1 265 62 27 GLU H H 8.493 0.03 1 266 62 27 GLU HA H 3.937 0.03 1 267 62 27 GLU HB2 H 1.932 0.03 2 268 62 27 GLU HG2 H 2.495 0.03 2 269 62 27 GLU C C 180.103 0.30 1 270 62 27 GLU CA C 59.119 0.30 1 271 62 27 GLU CB C 30.052 0.30 1 272 62 27 GLU N N 117.610 0.30 1 273 63 28 VAL H H 8.241 0.03 1 274 63 28 VAL HA H 3.478 0.03 1 275 63 28 VAL HB H 1.926 0.03 1 276 63 28 VAL HG1 H 0.876 0.03 4 277 63 28 VAL HG2 H 0.545 0.03 4 278 63 28 VAL C C 176.970 0.30 1 279 63 28 VAL CA C 68.197 0.30 1 280 63 28 VAL CB C 31.632 0.30 1 281 63 28 VAL CG2 C 21.073 0.30 2 282 63 28 VAL N N 120.585 0.30 1 283 64 29 VAL H H 8.510 0.03 1 284 64 29 VAL HA H 3.333 0.03 1 285 64 29 VAL HB H 2.002 0.03 1 286 64 29 VAL HG2 H 0.894 0.03 4 287 64 29 VAL C C 177.709 0.30 1 288 64 29 VAL CA C 67.751 0.30 1 289 64 29 VAL CB C 31.553 0.30 1 290 64 29 VAL CG1 C 24.149 0.30 2 291 64 29 VAL CG2 C 21.614 0.30 2 292 64 29 VAL N N 118.622 0.30 1 293 65 30 LYS H H 7.533 0.03 1 294 65 30 LYS HA H 3.855 0.03 1 295 65 30 LYS HB2 H 1.826 0.03 2 296 65 30 LYS HB3 H 1.739 0.03 2 297 65 30 LYS HG2 H 1.542 0.03 2 298 65 30 LYS HE2 H 2.978 0.03 2 299 65 30 LYS C C 178.693 0.30 1 300 65 30 LYS CA C 59.986 0.30 1 301 65 30 LYS CB C 32.800 0.30 1 302 65 30 LYS CG C 25.473 0.30 1 303 65 30 LYS N N 118.138 0.30 1 304 66 31 ALA H H 7.489 0.03 1 305 66 31 ALA HA H 4.049 0.03 1 306 66 31 ALA HB H 1.486 0.03 1 307 66 31 ALA C C 179.745 0.30 1 308 66 31 ALA CA C 55.288 0.30 1 309 66 31 ALA CB C 19.207 0.30 1 310 66 31 ALA N N 120.585 0.30 1 311 67 32 LEU H H 8.332 0.03 1 312 67 32 LEU HA H 3.976 0.03 1 313 67 32 LEU HB2 H 1.837 0.03 2 314 67 32 LEU HB3 H 1.166 0.03 2 315 67 32 LEU HG H 1.395 0.03 1 316 67 32 LEU HD2 H 0.457 0.03 4 317 67 32 LEU C C 180.917 0.30 1 318 67 32 LEU CA C 58.115 0.30 1 319 67 32 LEU CB C 42.554 0.30 1 320 67 32 LEU CG C 27.349 0.30 1 321 67 32 LEU CD1 C 26.637 0.30 2 322 67 32 LEU N N 119.402 0.30 1 323 68 33 ARG H H 8.147 0.03 1 324 68 33 ARG HA H 3.787 0.03 1 325 68 33 ARG HB2 H 1.839 0.03 2 326 68 33 ARG HG2 H 1.381 0.03 2 327 68 33 ARG HD2 H 3.117 0.03 2 328 68 33 ARG C C 178.472 0.30 1 329 68 33 ARG CA C 59.581 0.30 1 330 68 33 ARG CB C 29.946 0.30 1 331 68 33 ARG CD C 44.108 0.30 1 332 68 33 ARG N N 116.408 0.30 1 333 69 34 LYS H H 7.606 0.03 1 334 69 34 LYS HA H 4.232 0.03 1 335 69 34 LYS HB2 H 1.932 0.03 2 336 69 34 LYS HG2 H 1.429 0.03 2 337 69 34 LYS HD2 H 1.640 0.03 2 338 69 34 LYS HE2 H 2.974 0.03 2 339 69 34 LYS C C 177.005 0.30 1 340 69 34 LYS CA C 56.788 0.30 1 341 69 34 LYS CB C 33.008 0.30 1 342 69 34 LYS CG C 25.623 0.30 1 343 69 34 LYS CD C 29.672 0.30 1 344 69 34 LYS CE C 42.461 0.30 1 345 69 34 LYS N N 117.866 0.30 1 346 70 35 GLY H H 7.678 0.03 1 347 70 35 GLY HA2 H 3.923 0.03 2 348 70 35 GLY HA3 H 4.121 0.03 2 349 70 35 GLY C C 175.547 0.30 1 350 70 35 GLY CA C 45.969 0.30 1 351 70 35 GLY N N 106.799 0.30 1 352 71 36 GLU H H 7.686 0.03 1 353 71 36 GLU HA H 4.199 0.03 1 354 71 36 GLU HB2 H 1.809 0.03 2 355 71 36 GLU HG2 H 1.558 0.03 2 356 71 36 GLU C C 175.625 0.30 1 357 71 36 GLU CA C 57.696 0.30 1 358 71 36 GLU CB C 29.620 0.30 1 359 71 36 GLU CG C 32.541 0.30 1 360 71 36 GLU N N 119.492 0.30 1 361 72 37 LYS H H 8.202 0.03 1 362 72 37 LYS HA H 4.863 0.03 1 363 72 37 LYS HB2 H 2.107 0.03 2 364 72 37 LYS HB3 H 1.735 0.03 2 365 72 37 LYS HG2 H 1.568 0.03 2 366 72 37 LYS HD2 H 1.698 0.03 2 367 72 37 LYS HE2 H 3.132 0.03 2 368 72 37 LYS C C 175.983 0.30 1 369 72 37 LYS CA C 54.299 0.30 1 370 72 37 LYS CB C 35.140 0.30 1 371 72 37 LYS CG C 25.145 0.30 1 372 72 37 LYS CD C 29.223 0.30 1 373 72 37 LYS CE C 43.418 0.30 1 374 72 37 LYS N N 118.433 0.30 1 375 73 38 GLY H H 7.214 0.03 1 376 73 38 GLY HA2 H 5.466 0.03 2 377 73 38 GLY HA3 H 3.782 0.03 2 378 73 38 GLY C C 172.071 0.30 1 379 73 38 GLY CA C 46.798 0.30 1 380 73 38 GLY N N 104.719 0.30 1 381 74 39 LEU H H 8.930 0.03 1 382 74 39 LEU HA H 4.992 0.03 1 383 74 39 LEU HB2 H 1.782 0.03 2 384 74 39 LEU HB3 H 1.370 0.03 2 385 74 39 LEU HG H 1.338 0.03 1 386 74 39 LEU HD1 H 0.711 0.03 4 387 74 39 LEU HD2 H 0.582 0.03 4 388 74 39 LEU C C 174.651 0.30 1 389 74 39 LEU CA C 54.686 0.30 1 390 74 39 LEU CB C 47.360 0.30 1 391 74 39 LEU CG C 27.818 0.30 1 392 74 39 LEU CD1 C 26.367 0.30 2 393 74 39 LEU CD2 C 23.575 0.30 2 394 74 39 LEU N N 125.471 0.30 1 395 75 40 VAL H H 8.549 0.03 1 396 75 40 VAL HA H 4.649 0.03 1 397 75 40 VAL HB H 1.800 0.03 1 398 75 40 VAL HG1 H 0.478 0.03 4 399 75 40 VAL HG2 H 0.162 0.03 4 400 75 40 VAL C C 173.868 0.30 1 401 75 40 VAL CA C 62.513 0.30 1 402 75 40 VAL CB C 32.856 0.30 1 403 75 40 VAL CG1 C 24.361 0.30 2 404 75 40 VAL CG2 C 21.898 0.30 2 405 75 40 VAL N N 130.975 0.30 1 406 76 41 VAL H H 8.754 0.03 1 407 76 41 VAL HA H 4.645 0.03 1 408 76 41 VAL HB H 1.789 0.03 1 409 76 41 VAL HG1 H 0.690 0.03 4 410 76 41 VAL HG2 H 0.563 0.03 4 411 76 41 VAL C C 173.931 0.30 1 412 76 41 VAL CA C 61.015 0.30 1 413 76 41 VAL CB C 33.844 0.30 1 414 76 41 VAL CG1 C 23.138 0.30 2 415 76 41 VAL CG2 C 20.619 0.30 2 416 76 41 VAL N N 127.452 0.30 1 417 77 42 ILE H H 8.530 0.03 1 418 77 42 ILE HA H 4.455 0.03 1 419 77 42 ILE HB H 0.554 0.03 1 420 77 42 ILE HG12 H 1.169 0.03 2 421 77 42 ILE HG13 H 0.329 0.03 2 422 77 42 ILE HG2 H 0.830 0.03 1 423 77 42 ILE HD1 H 0.033 0.03 4 424 77 42 ILE C C 174.965 0.30 1 425 77 42 ILE CA C 59.842 0.30 1 426 77 42 ILE CB C 40.257 0.30 1 427 77 42 ILE CG1 C 28.726 0.30 1 428 77 42 ILE CG2 C 20.144 0.30 1 429 77 42 ILE CD1 C 14.601 0.30 1 430 77 42 ILE N N 126.301 0.30 1 431 78 43 ALA H H 8.538 0.03 1 432 78 43 ALA HA H 4.469 0.03 1 433 78 43 ALA HB H 1.480 0.03 1 434 78 43 ALA C C 177.979 0.30 1 435 78 43 ALA CA C 52.398 0.30 1 436 78 43 ALA CB C 19.600 0.30 1 437 78 43 ALA N N 128.716 0.30 1 438 79 44 GLY H H 9.090 0.03 1 439 79 44 GLY HA2 H 4.253 0.03 2 440 79 44 GLY HA3 H 3.413 0.03 2 441 79 44 GLY C C 173.472 0.30 1 442 79 44 GLY CA C 46.239 0.30 1 443 79 44 GLY N N 104.343 0.30 1 444 80 45 ASP H H 8.603 0.03 1 445 80 45 ASP HA H 4.855 0.03 1 446 80 45 ASP HB2 H 2.600 0.03 2 447 80 45 ASP HB3 H 2.934 0.03 2 448 80 45 ASP C C 176.500 0.30 1 449 80 45 ASP CA C 52.804 0.30 1 450 80 45 ASP CB C 39.410 0.30 1 451 80 45 ASP N N 118.154 0.30 1 452 81 46 ILE H H 6.846 0.03 1 453 81 46 ILE HA H 4.073 0.03 1 454 81 46 ILE HB H 1.864 0.03 1 455 81 46 ILE HG13 H 1.400 0.03 2 456 81 46 ILE HG2 H 0.917 0.03 1 457 81 46 ILE HD1 H 0.890 0.03 4 458 81 46 ILE C C 173.822 0.30 1 459 81 46 ILE CA C 59.882 0.30 1 460 81 46 ILE CB C 39.136 0.30 1 461 81 46 ILE CG1 C 28.127 0.30 1 462 81 46 ILE CG2 C 18.687 0.30 1 463 81 46 ILE CD1 C 14.653 0.30 1 464 81 46 ILE N N 118.477 0.30 1 465 82 47 SER H H 7.774 0.03 1 466 82 47 SER HA H 4.628 0.03 1 467 82 47 SER HB2 H 3.718 0.03 2 468 82 47 SER C C 176.920 0.30 1 469 82 47 SER CA C 55.444 0.30 1 470 82 47 SER CB C 65.268 0.30 1 471 82 47 SER N N 117.552 0.30 1 472 83 48 PRO HA H 4.259 0.03 1 473 83 48 PRO HB3 H 1.751 0.03 2 474 83 48 PRO HG2 H 1.578 0.03 2 475 83 48 PRO CA C 62.312 0.30 1 476 83 48 PRO CB C 30.564 0.30 1 477 83 48 PRO CG C 25.218 0.30 1 478 84 49 ALA H H 8.091 0.03 1 479 84 49 ALA HA H 3.978 0.03 1 480 84 49 ALA HB H 1.308 0.03 1 481 84 49 ALA C C 178.699 0.30 1 482 84 49 ALA CA C 54.704 0.30 1 483 84 49 ALA CB C 19.393 0.30 1 484 84 49 ALA N N 122.207 0.30 1 485 85 50 ASP H H 8.148 0.03 1 486 85 50 ASP HA H 4.338 0.03 1 487 85 50 ASP HB2 H 2.620 0.03 2 488 85 50 ASP C C 177.723 0.30 1 489 85 50 ASP CA C 56.203 0.30 1 490 85 50 ASP CB C 40.562 0.30 1 491 85 50 ASP N N 113.440 0.30 1 492 86 51 VAL H H 7.538 0.03 1 493 86 51 VAL HA H 3.925 0.03 1 494 86 51 VAL HB H 2.067 0.03 1 495 86 51 VAL HG1 H 1.069 0.03 4 496 86 51 VAL HG2 H 0.996 0.03 4 497 86 51 VAL C C 176.966 0.30 1 498 86 51 VAL CA C 65.241 0.30 1 499 86 51 VAL CB C 32.467 0.30 1 500 86 51 VAL N N 116.604 0.30 1 501 87 52 ILE H H 7.283 0.03 1 502 87 52 ILE HA H 4.565 0.03 1 503 87 52 ILE HB H 2.142 0.03 1 504 87 52 ILE HG13 H 1.251 0.03 2 505 87 52 ILE HG2 H 0.996 0.03 1 506 87 52 ILE HD1 H 0.904 0.03 4 507 87 52 ILE C C 178.116 0.30 1 508 87 52 ILE CA C 60.165 0.30 1 509 87 52 ILE CB C 41.048 0.30 1 510 87 52 ILE CG1 C 28.618 0.30 1 511 87 52 ILE CG2 C 21.200 0.30 1 512 87 52 ILE N N 108.211 0.30 1 513 88 53 SER H H 7.845 0.03 1 514 88 53 SER HA H 4.538 0.03 1 515 88 53 SER HB2 H 3.696 0.03 2 516 88 53 SER HB3 H 3.643 0.03 2 517 88 53 SER CA C 61.852 0.30 1 518 88 53 SER CB C 62.604 0.30 1 519 88 53 SER N N 116.088 0.30 1 520 89 54 HIS H H 8.450 0.03 1 521 89 54 HIS HA H 4.590 0.03 1 522 89 54 HIS HB2 H 3.128 0.03 2 523 89 54 HIS HB3 H 3.069 0.03 2 524 89 54 HIS HD2 H 7.163 0.03 1 525 89 54 HIS C C 176.530 0.30 1 526 89 54 HIS CA C 56.554 0.30 1 527 89 54 HIS CB C 33.261 0.30 1 528 89 54 HIS N N 121.004 0.30 1 529 90 55 ILE H H 8.142 0.03 1 530 90 55 ILE HA H 4.583 0.03 1 531 90 55 ILE HB H 1.546 0.03 1 532 90 55 ILE HD1 H 0.877 0.03 4 533 90 55 ILE CA C 62.230 0.30 1 534 90 55 ILE CB C 42.418 0.30 1 535 90 55 ILE CD1 C 15.421 0.30 1 536 90 55 ILE N N 123.909 0.30 1 537 91 56 PRO HA H 2.974 0.03 1 538 91 56 PRO HB2 H 1.606 0.03 2 539 91 56 PRO HB3 H 1.826 0.03 2 540 91 56 PRO C C 177.132 0.30 1 541 91 56 PRO CA C 66.917 0.30 1 542 91 56 PRO CB C 31.519 0.30 1 543 91 56 PRO CG C 29.527 0.30 1 544 92 57 VAL H H 6.505 0.03 1 545 92 57 VAL HA H 3.570 0.03 1 546 92 57 VAL HB H 1.971 0.03 1 547 92 57 VAL HG1 H 0.990 0.03 4 548 92 57 VAL HG2 H 0.949 0.03 4 549 92 57 VAL C C 177.995 0.30 1 550 92 57 VAL CA C 66.358 0.30 1 551 92 57 VAL CB C 31.694 0.30 1 552 92 57 VAL CG1 C 22.555 0.30 2 553 92 57 VAL CG2 C 22.063 0.30 2 554 92 57 VAL N N 114.761 0.30 1 555 93 58 LEU H H 7.432 0.03 1 556 93 58 LEU HA H 4.200 0.03 1 557 93 58 LEU HB2 H 1.784 0.03 2 558 93 58 LEU HG H 1.436 0.03 1 559 93 58 LEU HD1 H 0.920 0.03 4 560 93 58 LEU HD2 H 0.422 0.03 4 561 93 58 LEU C C 180.452 0.30 1 562 93 58 LEU CA C 57.938 0.30 1 563 93 58 LEU CB C 43.394 0.30 1 564 93 58 LEU CG C 27.560 0.30 1 565 93 58 LEU CD1 C 26.288 0.30 2 566 93 58 LEU N N 120.572 0.30 1 567 94 59 CYS H H 8.423 0.03 1 568 94 59 CYS HA H 3.827 0.03 1 569 94 59 CYS HB2 H 2.863 0.03 2 570 94 59 CYS HG H 2.239 0.03 1 571 94 59 CYS C C 177.986 0.30 1 572 94 59 CYS CA C 65.483 0.30 1 573 94 59 CYS CB C 26.552 0.30 1 574 94 59 CYS N N 117.330 0.30 1 575 95 60 GLU H H 8.237 0.03 1 576 95 60 GLU HA H 3.512 0.03 1 577 95 60 GLU HB2 H 2.557 0.03 2 578 95 60 GLU C C 180.736 0.30 1 579 95 60 GLU CA C 59.909 0.30 1 580 95 60 GLU CB C 29.108 0.30 1 581 95 60 GLU N N 120.766 0.30 1 582 96 61 ASP H H 8.345 0.03 1 583 96 61 ASP HA H 4.311 0.03 1 584 96 61 ASP HB2 H 2.790 0.03 2 585 96 61 ASP HB3 H 2.401 0.03 2 586 96 61 ASP C C 178.004 0.30 1 587 96 61 ASP CA C 57.549 0.30 1 588 96 61 ASP CB C 41.083 0.30 1 589 96 61 ASP N N 120.591 0.30 1 590 97 62 HIS H H 7.663 0.03 1 591 97 62 HIS HA H 4.575 0.03 1 592 97 62 HIS HB2 H 2.743 0.03 2 593 97 62 HIS HD2 H 7.409 0.03 1 594 97 62 HIS C C 173.728 0.30 1 595 97 62 HIS CA C 57.418 0.30 1 596 97 62 HIS CB C 30.067 0.30 1 597 97 62 HIS N N 115.844 0.30 1 598 98 63 SER H H 7.861 0.03 1 599 98 63 SER HA H 4.097 0.03 1 600 98 63 SER HB2 H 3.532 0.03 2 601 98 63 SER C C 173.789 0.30 1 602 98 63 SER CA C 59.255 0.30 1 603 98 63 SER CB C 61.602 0.30 1 604 98 63 SER N N 114.813 0.30 1 605 99 64 VAL H H 8.603 0.03 1 606 99 64 VAL HA H 4.157 0.03 1 607 99 64 VAL HB H 1.646 0.03 1 608 99 64 VAL HG1 H 1.090 0.03 4 609 99 64 VAL HG2 H 0.940 0.03 4 610 99 64 VAL C C 174.345 0.30 1 611 99 64 VAL CA C 58.923 0.30 1 612 99 64 VAL CB C 35.133 0.30 1 613 99 64 VAL N N 123.227 0.30 1 614 100 65 PRO HA H 4.260 0.03 1 615 100 65 PRO HB2 H 1.675 0.03 2 616 100 65 PRO HB3 H 2.103 0.03 2 617 100 65 PRO HG2 H 1.509 0.03 2 618 100 65 PRO HD2 H 3.636 0.03 2 619 100 65 PRO C C 173.335 0.30 1 620 100 65 PRO CA C 63.165 0.30 1 621 100 65 PRO CB C 32.083 0.30 1 622 100 65 PRO CG C 27.858 0.30 1 623 100 65 PRO CD C 51.366 0.30 1 624 101 66 TYR H H 6.219 0.03 1 625 101 66 TYR HA H 5.900 0.03 1 626 101 66 TYR HB2 H 3.016 0.03 2 627 101 66 TYR HB3 H 2.231 0.03 2 628 101 66 TYR HD2 H 6.929 0.03 3 629 101 66 TYR HE2 H 6.740 0.03 3 630 101 66 TYR C C 170.503 0.30 1 631 101 66 TYR CA C 53.986 0.30 1 632 101 66 TYR CB C 41.998 0.30 1 633 101 66 TYR N N 114.840 0.30 1 634 102 67 ILE H H 7.954 0.03 1 635 102 67 ILE HA H 4.488 0.03 1 636 102 67 ILE HB H 1.718 0.03 1 637 102 67 ILE HG12 H 1.142 0.03 2 638 102 67 ILE HG13 H 1.538 0.03 2 639 102 67 ILE HG2 H 0.885 0.03 1 640 102 67 ILE HD1 H 0.811 0.03 4 641 102 67 ILE C C 171.963 0.30 1 642 102 67 ILE CA C 55.343 0.30 1 643 102 67 ILE CB C 43.317 0.30 1 644 102 67 ILE CG1 C 29.699 0.30 1 645 102 67 ILE CD1 C 18.815 0.30 1 646 102 67 ILE N N 112.118 0.30 1 647 103 68 PHE H H 8.087 0.03 1 648 103 68 PHE HA H 5.945 0.03 1 649 103 68 PHE HB2 H 3.035 0.03 2 650 103 68 PHE HB3 H 2.520 0.03 2 651 103 68 PHE HD2 H 6.974 0.03 3 652 103 68 PHE C C 176.374 0.30 1 653 103 68 PHE CA C 56.520 0.30 1 654 103 68 PHE CB C 40.518 0.30 1 655 103 68 PHE N N 122.272 0.30 1 656 104 69 ILE H H 8.847 0.03 1 657 104 69 ILE HA H 2.991 0.03 1 658 104 69 ILE HB H 2.342 0.03 1 659 104 69 ILE HG2 H 1.272 0.03 1 660 104 69 ILE HD1 H 0.776 0.03 4 661 104 69 ILE C C 175.387 0.30 1 662 104 69 ILE CA C 57.903 0.30 1 663 104 69 ILE CB C 38.207 0.30 1 664 104 69 ILE CD1 C 13.659 0.30 1 665 104 69 ILE N N 114.672 0.30 1 666 105 70 PRO HA H 3.918 0.03 1 667 105 70 PRO HB3 H 1.883 0.03 2 668 105 70 PRO C C 177.442 0.30 1 669 105 70 PRO CA C 64.823 0.30 1 670 105 70 PRO CB C 35.906 0.30 1 671 105 70 PRO CG C 29.186 0.30 1 672 106 71 SER H H 7.904 0.03 1 673 106 71 SER HA H 4.261 0.03 1 674 106 71 SER HB2 H 4.218 0.03 2 675 106 71 SER C C 175.111 0.30 1 676 106 71 SER CA C 60.111 0.30 1 677 106 71 SER CB C 63.687 0.30 1 678 106 71 SER N N 113.113 0.30 1 679 107 72 LYS H H 8.314 0.03 1 680 107 72 LYS HA H 4.187 0.03 1 681 107 72 LYS HB2 H 1.861 0.03 2 682 107 72 LYS HB3 H 1.656 0.03 2 683 107 72 LYS HD2 H 1.511 0.03 2 684 107 72 LYS HE2 H 3.134 0.03 2 685 107 72 LYS CA C 58.783 0.30 1 686 107 72 LYS CB C 30.951 0.30 1 687 107 72 LYS CD C 24.459 0.30 1 688 107 72 LYS N N 119.830 0.30 1 689 108 73 GLN H H 8.510 0.03 1 690 108 73 GLN HA H 4.001 0.03 1 691 108 73 GLN HB2 H 1.898 0.03 2 692 108 73 GLN HG2 H 2.302 0.03 2 693 108 73 GLN CA C 58.831 0.30 1 694 108 73 GLN CB C 28.451 0.30 1 695 108 73 GLN N N 123.860 0.30 1 696 109 74 ASP H H 7.966 0.03 1 697 109 74 ASP HA H 4.389 0.03 1 698 109 74 ASP HB2 H 2.800 0.03 2 699 109 74 ASP HB3 H 2.704 0.03 2 700 109 74 ASP C C 178.552 0.30 1 701 109 74 ASP N N 121.145 0.30 1 702 110 75 LEU H H 7.932 0.03 1 703 110 75 LEU HA H 3.955 0.03 1 704 110 75 LEU HB2 H 2.047 0.03 2 705 110 75 LEU HB3 H 1.463 0.03 2 706 110 75 LEU HG H 1.368 0.03 1 707 110 75 LEU HD2 H 0.662 0.03 4 708 110 75 LEU C C 178.953 0.30 1 709 110 75 LEU CA C 56.538 0.30 1 710 110 75 LEU CB C 40.845 0.30 1 711 110 75 LEU CG C 27.300 0.30 1 712 110 75 LEU N N 121.098 0.30 1 713 111 76 GLY H H 8.006 0.03 1 714 111 76 GLY HA2 H 3.892 0.03 2 715 111 76 GLY HA3 H 3.957 0.03 2 716 111 76 GLY C C 175.510 0.30 1 717 111 76 GLY CA C 47.037 0.30 1 718 111 76 GLY N N 105.659 0.30 1 719 112 77 ALA H H 7.824 0.03 1 720 112 77 ALA HA H 4.112 0.03 1 721 112 77 ALA HB H 1.398 0.03 1 722 112 77 ALA C C 179.350 0.30 1 723 112 77 ALA CA C 53.930 0.30 1 724 112 77 ALA CB C 18.727 0.30 1 725 112 77 ALA N N 122.987 0.30 1 726 113 78 ALA H H 7.785 0.03 1 727 113 78 ALA HA H 4.189 0.03 1 728 113 78 ALA HB H 1.422 0.03 1 729 113 78 ALA C C 177.368 0.30 1 730 113 78 ALA CA C 53.750 0.30 1 731 113 78 ALA CB C 19.231 0.30 1 732 113 78 ALA N N 121.466 0.30 1 733 114 79 GLY H H 7.742 0.03 1 734 114 79 GLY HA2 H 3.624 0.03 2 735 114 79 GLY HA3 H 4.148 0.03 2 736 114 79 GLY CA C 45.256 0.30 1 737 114 79 GLY N N 104.016 0.30 1 738 115 80 ALA HA H 4.100 0.03 1 739 115 80 ALA HB H 1.363 0.03 1 740 115 80 ALA C C 176.526 0.30 1 741 115 80 ALA CA C 53.482 0.30 1 742 115 80 ALA CB C 19.825 0.30 1 743 116 81 THR H H 8.068 0.03 1 744 116 81 THR HA H 4.718 0.03 1 745 116 81 THR HB H 3.942 0.03 1 746 116 81 THR HG2 H 0.879 0.03 1 747 116 81 THR CA C 57.275 0.30 1 748 116 81 THR CB C 64.878 0.30 1 749 116 81 THR N N 116.236 0.30 1 750 119 84 PRO HA H 4.072 0.03 1 751 119 84 PRO HB3 H 1.962 0.03 2 752 119 84 PRO HG2 H 1.500 0.03 2 753 119 84 PRO HD2 H 3.578 0.03 2 754 119 84 PRO CB C 32.154 0.30 1 755 119 84 PRO CG C 27.877 0.30 1 756 120 85 THR H H 8.002 0.03 1 757 120 85 THR HB H 3.885 0.03 1 758 120 85 THR HG2 H 0.987 0.03 1 759 120 85 THR C C 175.333 0.30 1 760 120 85 THR CB C 71.769 0.30 1 761 120 85 THR N N 119.680 0.30 1 762 121 86 SER H H 7.335 0.03 1 763 121 86 SER HA H 4.325 0.03 1 764 121 86 SER HB2 H 3.994 0.03 2 765 121 86 SER HB3 H 3.850 0.03 2 766 121 86 SER C C 172.929 0.30 1 767 121 86 SER CA C 59.722 0.30 1 768 121 86 SER CB C 64.608 0.30 1 769 121 86 SER N N 115.589 0.30 1 770 122 87 VAL H H 7.152 0.03 1 771 122 87 VAL HA H 5.200 0.03 1 772 122 87 VAL HB H 2.026 0.03 1 773 122 87 VAL HG1 H 0.970 0.03 4 774 122 87 VAL HG2 H 0.655 0.03 4 775 122 87 VAL C C 172.465 0.30 1 776 122 87 VAL CA C 59.819 0.30 1 777 122 87 VAL CB C 33.368 0.30 1 778 122 87 VAL CG1 C 23.291 0.30 2 779 122 87 VAL CG2 C 19.151 0.30 2 780 122 87 VAL N N 116.044 0.30 1 781 123 88 VAL H H 8.851 0.03 1 782 123 88 VAL HA H 5.091 0.03 1 783 123 88 VAL HB H 2.039 0.03 1 784 123 88 VAL HG1 H 0.813 0.03 4 785 123 88 VAL HG2 H 0.765 0.03 4 786 123 88 VAL C C 173.214 0.30 1 787 123 88 VAL CA C 59.219 0.30 1 788 123 88 VAL CB C 36.362 0.30 1 789 123 88 VAL CG1 C 22.636 0.30 2 790 123 88 VAL CG2 C 21.101 0.30 2 791 123 88 VAL N N 119.350 0.30 1 792 124 89 PHE H H 9.051 0.03 1 793 124 89 PHE HA H 5.613 0.03 1 794 124 89 PHE HB2 H 3.092 0.03 2 795 124 89 PHE HB3 H 2.950 0.03 2 796 124 89 PHE HD2 H 6.867 0.03 3 797 124 89 PHE C C 174.887 0.30 1 798 124 89 PHE CA C 52.961 0.30 1 799 124 89 PHE CB C 42.788 0.30 1 800 124 89 PHE N N 122.568 0.30 1 801 125 90 ILE H H 9.477 0.03 1 802 125 90 ILE HA H 4.264 0.03 1 803 125 90 ILE HB H 2.055 0.03 1 804 125 90 ILE HG12 H 1.711 0.03 2 805 125 90 ILE HG13 H 1.435 0.03 2 806 125 90 ILE HG2 H 0.814 0.03 1 807 125 90 ILE HD1 H 0.682 0.03 4 808 125 90 ILE C C 173.870 0.30 1 809 125 90 ILE CA C 61.789 0.30 1 810 125 90 ILE CB C 39.785 0.30 1 811 125 90 ILE CD1 C 19.139 0.30 1 812 125 90 ILE N N 127.707 0.30 1 813 126 91 VAL H H 8.149 0.03 1 814 126 91 VAL HA H 4.566 0.03 1 815 126 91 VAL HB H 1.529 0.03 1 816 126 91 VAL HG1 H 0.578 0.03 4 817 126 91 VAL HG2 H -0.291 0.03 4 818 126 91 VAL C C 173.829 0.30 1 819 126 91 VAL CA C 58.701 0.30 1 820 126 91 VAL CB C 32.989 0.30 1 821 126 91 VAL CG1 C 21.331 0.30 2 822 126 91 VAL CG2 C 18.515 0.30 2 823 126 91 VAL N N 126.579 0.30 1 824 127 92 PRO HA H 4.035 0.03 1 825 127 92 PRO HB2 H 1.610 0.03 2 826 127 92 PRO HB3 H 1.771 0.03 2 827 127 92 PRO HG2 H 1.588 0.03 2 828 127 92 PRO HD2 H 3.636 0.03 2 829 127 92 PRO C C 177.766 0.30 1 830 127 92 PRO CA C 63.684 0.30 1 831 127 92 PRO CB C 32.178 0.30 1 832 127 92 PRO CG C 27.482 0.30 1 833 127 92 PRO CD C 51.024 0.30 1 834 128 93 GLY H H 7.970 0.03 1 835 128 93 GLY HA2 H 3.927 0.03 2 836 128 93 GLY HA3 H 3.927 0.03 2 837 128 93 GLY CA C 45.787 0.30 1 838 128 93 GLY N N 108.618 0.30 1 839 129 94 SER H H 7.952 0.03 1 840 129 94 SER HA H 4.317 0.03 1 841 129 94 SER HB2 H 3.927 0.03 2 842 129 94 SER HB3 H 3.724 0.03 2 843 129 94 SER C C 180.379 0.30 1 844 129 94 SER CA C 58.566 0.30 1 845 129 94 SER N N 113.620 0.30 1 846 130 95 ASN H H 8.300 0.03 1 847 130 95 ASN HA H 3.964 0.03 1 848 130 95 ASN HB2 H 1.549 0.03 2 849 130 95 ASN HB3 H 1.827 0.03 2 850 130 95 ASN C C 178.664 0.30 1 851 130 95 ASN CA C 57.689 0.30 1 852 130 95 ASN CB C 42.288 0.30 1 853 130 95 ASN N N 120.775 0.30 1 854 131 96 LYS H H 7.896 0.03 1 855 131 96 LYS HA H 4.095 0.03 1 856 131 96 LYS HB2 H 2.278 0.03 2 857 131 96 LYS HB3 H 1.945 0.03 2 858 131 96 LYS HG2 H 1.625 0.03 2 859 131 96 LYS C C 178.290 0.30 1 860 131 96 LYS CA C 59.062 0.30 1 861 131 96 LYS CB C 29.745 0.30 1 862 131 96 LYS CG C 26.078 0.30 1 863 131 96 LYS N N 119.316 0.30 1 864 132 97 LYS H H 7.791 0.03 1 865 132 97 LYS HG2 H 1.393 0.03 2 866 132 97 LYS C C 176.927 0.30 1 867 132 97 LYS CA C 58.555 0.30 1 868 132 97 LYS CB C 30.578 0.30 1 869 132 97 LYS N N 117.523 0.30 1 870 133 98 LYS HA H 4.236 0.03 1 871 133 98 LYS HB2 H 1.805 0.03 2 872 133 98 LYS HD2 H 1.441 0.03 2 873 133 98 LYS HE2 H 2.995 0.03 2 874 133 98 LYS C C 176.606 0.30 1 875 133 98 LYS CA C 57.225 0.30 1 876 133 98 LYS CB C 33.151 0.30 1 877 133 98 LYS CG C 25.138 0.30 1 878 133 98 LYS CD C 29.709 0.30 1 879 134 99 ASP H H 8.267 0.03 1 880 134 99 ASP HA H 4.584 0.03 1 881 134 99 ASP HB2 H 2.698 0.03 2 882 134 99 ASP C C 176.899 0.30 1 883 134 99 ASP CA C 54.402 0.30 1 884 134 99 ASP CB C 41.568 0.30 1 885 134 99 ASP N N 120.311 0.30 1 886 135 100 GLY H H 8.235 0.03 1 887 135 100 GLY HA2 H 4.171 0.03 2 888 135 100 GLY HA3 H 3.934 0.03 2 889 135 100 GLY C C 174.683 0.30 1 890 135 100 GLY CA C 45.985 0.30 1 891 135 100 GLY N N 108.751 0.30 1 892 136 101 LYS H H 8.148 0.03 1 893 136 101 LYS HA H 4.279 0.03 1 894 136 101 LYS HB2 H 1.811 0.03 2 895 136 101 LYS HG2 H 1.246 0.03 2 896 136 101 LYS HD2 H 1.667 0.03 2 897 136 101 LYS C C 175.145 0.30 1 898 136 101 LYS CA C 56.875 0.30 1 899 136 101 LYS CB C 32.987 0.30 1 900 136 101 LYS CG C 25.279 0.30 1 901 136 101 LYS CD C 29.488 0.30 1 902 136 101 LYS N N 120.306 0.30 1 903 137 102 ASN H H 8.406 0.03 1 904 137 102 ASN HA H 4.707 0.03 1 905 137 102 ASN HB2 H 2.780 0.03 2 906 137 102 ASN HD21 H 6.899 0.03 2 907 137 102 ASN HD22 H 7.643 0.03 2 908 137 102 ASN C C 175.849 0.30 1 909 137 102 ASN CA C 53.816 0.30 1 910 137 102 ASN CB C 39.070 0.30 1 911 137 102 ASN N N 118.958 0.30 1 912 137 102 ASN ND2 N 113.015 0.30 1 913 138 103 LYS H H 8.316 0.03 1 914 138 103 LYS HA H 4.255 0.03 1 915 138 103 LYS HB2 H 1.841 0.03 2 916 138 103 LYS CA C 56.641 0.30 1 917 138 103 LYS CB C 32.911 0.30 1 918 138 103 LYS N N 121.782 0.30 1 919 139 104 GLU H H 8.459 0.03 1 920 139 104 GLU CA C 57.449 0.30 1 921 139 104 GLU CB C 29.983 0.30 1 922 139 104 GLU N N 121.053 0.30 1 923 141 106 GLU H H 8.291 0.03 1 924 141 106 GLU HA H 4.268 0.03 1 925 141 106 GLU HB2 H 2.216 0.03 2 926 141 106 GLU HB3 H 1.797 0.03 2 927 141 106 GLU CA C 64.025 0.30 1 928 141 106 GLU CB C 32.117 0.30 1 929 141 106 GLU N N 122.191 0.30 1 930 142 107 TYR H H 7.344 0.03 1 931 142 107 TYR HA H 4.996 0.03 1 932 142 107 TYR HB2 H 2.913 0.03 2 933 142 107 TYR HB3 H 2.947 0.03 2 934 142 107 TYR HD1 H 7.088 0.03 3 935 142 107 TYR HH H 9.134 0.03 1 936 142 107 TYR C C 175.381 0.30 1 937 142 107 TYR CA C 57.581 0.30 1 938 142 107 TYR CB C 39.533 0.30 1 939 142 107 TYR N N 115.802 0.30 1 940 143 108 LYS H H 7.376 0.03 1 941 143 108 LYS HA H 3.628 0.03 1 942 143 108 LYS HB2 H 1.693 0.03 2 943 143 108 LYS HG2 H 1.296 0.03 2 944 143 108 LYS HD2 H 1.535 0.03 2 945 143 108 LYS HE2 H 2.874 0.03 2 946 143 108 LYS C C 177.659 0.30 1 947 143 108 LYS CA C 59.988 0.30 1 948 143 108 LYS CB C 32.294 0.30 1 949 143 108 LYS CG C 24.795 0.30 1 950 143 108 LYS CD C 29.132 0.30 1 951 143 108 LYS N N 123.473 0.30 1 952 144 109 GLU H H 8.558 0.03 1 953 144 109 GLU HA H 4.048 0.03 1 954 144 109 GLU HB2 H 2.075 0.03 2 955 144 109 GLU HG2 H 2.316 0.03 2 956 144 109 GLU C C 179.583 0.30 1 957 144 109 GLU CA C 60.200 0.30 1 958 144 109 GLU CB C 29.237 0.30 1 959 144 109 GLU N N 118.799 0.30 1 960 145 110 SER H H 8.094 0.03 1 961 145 110 SER HA H 4.319 0.03 1 962 145 110 SER HB2 H 4.058 0.03 2 963 145 110 SER C C 176.522 0.30 1 964 145 110 SER CA C 61.990 0.30 1 965 145 110 SER CB C 63.293 0.30 1 966 145 110 SER N N 116.121 0.30 1 967 146 111 PHE H H 8.536 0.03 1 968 146 111 PHE HA H 4.021 0.03 1 969 146 111 PHE HB2 H 3.310 0.03 2 970 146 111 PHE HB3 H 3.139 0.03 2 971 146 111 PHE HD1 H 7.118 0.03 3 972 146 111 PHE C C 176.001 0.30 1 973 146 111 PHE CA C 62.504 0.30 1 974 146 111 PHE CB C 39.861 0.30 1 975 146 111 PHE N N 122.311 0.30 1 976 147 112 ASN H H 8.795 0.03 1 977 147 112 ASN HA H 4.252 0.03 1 978 147 112 ASN HB2 H 2.914 0.03 2 979 147 112 ASN HB3 H 2.827 0.03 2 980 147 112 ASN HD21 H 6.814 0.03 2 981 147 112 ASN HD22 H 7.632 0.03 2 982 147 112 ASN C C 178.315 0.30 1 983 147 112 ASN CA C 56.226 0.30 1 984 147 112 ASN CB C 37.990 0.30 1 985 147 112 ASN N N 117.908 0.30 1 986 147 112 ASN ND2 N 110.986 0.30 1 987 148 113 GLU H H 7.764 0.03 1 988 148 113 GLU HA H 4.024 0.03 1 989 148 113 GLU HB2 H 2.081 0.03 2 990 148 113 GLU C C 179.410 0.30 1 991 148 113 GLU CA C 59.710 0.30 1 992 148 113 GLU CB C 30.063 0.30 1 993 148 113 GLU CG C 36.534 0.30 1 994 148 113 GLU N N 119.868 0.30 1 995 149 114 VAL H H 7.973 0.03 1 996 149 114 VAL HA H 3.544 0.03 1 997 149 114 VAL HB H 2.091 0.03 1 998 149 114 VAL HG1 H 0.722 0.03 4 999 149 114 VAL C C 177.613 0.30 1 1000 149 114 VAL CA C 66.977 0.30 1 1001 149 114 VAL CB C 30.605 0.30 1 1002 149 114 VAL CG1 C 23.834 0.30 2 1003 149 114 VAL N N 119.684 0.30 1 1004 150 115 VAL H H 8.452 0.03 1 1005 150 115 VAL HA H 3.164 0.03 1 1006 150 115 VAL HB H 1.735 0.03 1 1007 150 115 VAL HG1 H 0.766 0.03 4 1008 150 115 VAL HG2 H 0.358 0.03 4 1009 150 115 VAL C C 177.499 0.30 1 1010 150 115 VAL CA C 68.301 0.30 1 1011 150 115 VAL CB C 31.483 0.30 1 1012 150 115 VAL CG1 C 22.412 0.30 2 1013 150 115 VAL CG2 C 24.329 0.30 2 1014 150 115 VAL N N 119.782 0.30 1 1015 151 116 LYS H H 7.595 0.03 1 1016 151 116 LYS HA H 4.024 0.03 1 1017 151 116 LYS HB2 H 1.873 0.03 2 1018 151 116 LYS HG2 H 1.604 0.03 2 1019 151 116 LYS HG3 H 1.450 0.03 2 1020 151 116 LYS HE2 H 2.970 0.03 2 1021 151 116 LYS C C 179.862 0.30 1 1022 151 116 LYS CA C 59.947 0.30 1 1023 151 116 LYS CB C 32.481 0.30 1 1024 151 116 LYS CG C 25.527 0.30 1 1025 151 116 LYS CD C 29.864 0.30 1 1026 151 116 LYS CE C 42.410 0.30 1 1027 151 116 LYS N N 118.842 0.30 1 1028 152 117 GLU H H 7.513 0.03 1 1029 152 117 GLU HA H 4.052 0.03 1 1030 152 117 GLU HB2 H 2.075 0.03 2 1031 152 117 GLU HB3 H 2.032 0.03 2 1032 152 117 GLU HG2 H 2.445 0.03 2 1033 152 117 GLU C C 179.528 0.30 1 1034 152 117 GLU CA C 60.178 0.30 1 1035 152 117 GLU CB C 29.949 0.30 1 1036 152 117 GLU N N 120.243 0.30 1 1037 153 118 VAL H H 8.649 0.03 1 1038 153 118 VAL HA H 3.464 0.03 1 1039 153 118 VAL HB H 1.983 0.03 1 1040 153 118 VAL HG1 H 0.860 0.03 4 1041 153 118 VAL HG2 H 0.573 0.03 4 1042 153 118 VAL C C 177.984 0.30 1 1043 153 118 VAL CA C 68.047 0.30 1 1044 153 118 VAL CB C 32.056 0.30 1 1045 153 118 VAL CG1 C 24.520 0.30 2 1046 153 118 VAL CG2 C 21.138 0.30 2 1047 153 118 VAL N N 120.596 0.30 1 1048 154 119 GLN H H 8.947 0.03 1 1049 154 119 GLN HA H 3.986 0.03 1 1050 154 119 GLN HB2 H 2.216 0.03 2 1051 154 119 GLN HE21 H 6.847 0.03 2 1052 154 119 GLN HE22 H 7.475 0.03 2 1053 154 119 GLN C C 178.984 0.30 1 1054 154 119 GLN CA C 59.716 0.30 1 1055 154 119 GLN CB C 28.261 0.30 1 1056 154 119 GLN N N 118.317 0.30 1 1057 154 119 GLN NE2 N 111.997 0.30 1 1058 155 120 ALA H H 7.494 0.03 1 1059 155 120 ALA HA H 3.484 0.03 1 1060 155 120 ALA HB H 0.882 0.03 1 1061 155 120 ALA C C 180.759 0.30 1 1062 155 120 ALA CA C 55.257 0.30 1 1063 155 120 ALA CB C 18.446 0.30 1 1064 155 120 ALA N N 120.688 0.30 1 1065 156 121 LEU H H 7.766 0.03 1 1066 156 121 LEU HA H 3.975 0.03 1 1067 156 121 LEU HB2 H 1.832 0.03 2 1068 156 121 LEU HG H 1.473 0.03 1 1069 156 121 LEU HD1 H 0.877 0.03 4 1070 156 121 LEU HD2 H 0.510 0.03 2 1071 156 121 LEU CA C 57.665 0.30 1 1072 156 121 LEU CB C 42.504 0.30 1 1073 156 121 LEU N N 119.728 0.30 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 37 95 316 386,387 559,560 707 1069 84,85 128,129 210 249 276,277 286 398,399 409,410 495,496 547,548 608,609 773,774 784,785 816,817 998 1007,1008 1040,1041 423 457 506 532 640 660 807 stop_ save_