data_19485 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for SVIP (small VCP/p97-interacting protein) ; _BMRB_accession_number 19485 _BMRB_flat_file_name bmr19485.str _Entry_type original _Submission_date 2013-09-10 _Accession_date 2013-09-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'SVIP small VCP/p97-interacting protein (Human)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Jiawen . . 2 Peng Dungeng . . 3 Voehler Markus . . 4 Sanders Charles R. . 5 Li Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 411 "13C chemical shifts" 280 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-10-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and expression of a novel compact myelin protein - small VCP-interacting protein (SVIP).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24055875 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Jiawen . . 2 Peng Dungeng . . 3 Voehler Markus . . 4 Sanders Charles R. . 5 Li Jun . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 440 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 173 _Page_last 178 _Year 2013 _Details . loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SVIP mutation' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SVIP mutation' $SVIPM stop_ _System_molecular_weight 9476 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'SVIP mutation' stop_ loop_ _Biological_function 'a Novel Compact Myelin Protein' 'Homo sapiens small VCP/p97-interacting protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SVIPM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SVIPM _Molecular_mass 9475.68 _Mol_thiol_state 'not present' loop_ _Biological_function 'a Novel Compact Myelin Protein' 'Homo sapiens small VCP/p97-interacting protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MGLSFPSPGESAPPTPDLEE KRAKLAEAAERRQKEAASRG ILDVQSVQEKRKKKEKIEKQ IATSGPPPEGGLRWTVSLEH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LEU 4 SER 5 PHE 6 PRO 7 SER 8 PRO 9 GLY 10 GLU 11 SER 12 ALA 13 PRO 14 PRO 15 THR 16 PRO 17 ASP 18 LEU 19 GLU 20 GLU 21 LYS 22 ARG 23 ALA 24 LYS 25 LEU 26 ALA 27 GLU 28 ALA 29 ALA 30 GLU 31 ARG 32 ARG 33 GLN 34 LYS 35 GLU 36 ALA 37 ALA 38 SER 39 ARG 40 GLY 41 ILE 42 LEU 43 ASP 44 VAL 45 GLN 46 SER 47 VAL 48 GLN 49 GLU 50 LYS 51 ARG 52 LYS 53 LYS 54 LYS 55 GLU 56 LYS 57 ILE 58 GLU 59 LYS 60 GLN 61 ILE 62 ALA 63 THR 64 SER 65 GLY 66 PRO 67 PRO 68 PRO 69 GLU 70 GLY 71 GLY 72 LEU 73 ARG 74 TRP 75 THR 76 VAL 77 SER 78 LEU 79 GLU 80 HIS 81 HIS 82 HIS 83 HIS 84 HIS 85 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 EMBL CAH92580 "hypothetical protein [Pongo abelii]" 90.59 77 97.40 97.40 3.08e-44 GB AAM88869 "hypothetical protein [Homo sapiens]" 90.59 77 97.40 97.40 3.08e-44 GB EAW68312 "hCG1650756, isoform CRA_a [Homo sapiens]" 69.41 79 100.00 100.00 2.20e-30 GB EAW68313 "hCG1650756, isoform CRA_b [Homo sapiens]" 85.88 79 97.26 97.26 2.50e-40 GB EAW68314 "hCG1650756, isoform CRA_c [Homo sapiens]" 70.59 60 98.33 100.00 4.98e-31 GB EAW68315 "hCG1650756, isoform CRA_d [Homo sapiens]" 90.59 77 97.40 97.40 3.08e-44 REF NP_001126513 "small VCP/p97-interacting protein [Pongo abelii]" 90.59 77 97.40 97.40 3.08e-44 REF NP_001248626 "small VCP/p97-interacting protein [Macaca mulatta]" 90.59 77 97.40 97.40 3.08e-44 REF NP_683691 "small VCP/p97-interacting protein [Homo sapiens]" 90.59 77 97.40 97.40 3.08e-44 REF XP_001173949 "PREDICTED: small VCP/p97-interacting protein [Pan troglodytes]" 90.59 77 97.40 97.40 3.08e-44 REF XP_003254381 "PREDICTED: small VCP/p97-interacting protein isoform X2 [Nomascus leucogenys]" 90.59 77 97.40 97.40 3.08e-44 SP Q5R6N0 "RecName: Full=Small VCP/p97-interacting protein" 90.59 77 97.40 97.40 3.08e-44 SP Q8NHG7 "RecName: Full=Small VCP/p97-interacting protein" 90.59 77 97.40 97.40 3.08e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $SVIPM Human 9606 Eukaryota Metazoa Homo sapiens 'Homo sapiens small VCP/p97-interacting protein (SVIP)' 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 $SVIPM 'recombinant technology' . Escherichia coli . pET22b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '25 mM phosphate buffer, 25 mM NaCl, 0.1 mM EDTA, pH 5.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SVIPM . mM 0.4 0.6 '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 25 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium chloride' 25 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Bruker Avance 600MHz spectrometer equipped with cryogenic triple resonance probes' 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM phosphate buffer, 25 mM NaCl, 0.1 mM EDTA, pH 5.0' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 5.0 . 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 CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCO' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 'SVIP mutation' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.493 0.01 1 2 1 1 MET HB2 H 2.077 0.01 2 3 1 1 MET HB3 H 2.013 0.01 2 4 1 1 MET HG2 H 2.572 0.01 1 5 1 1 MET HG3 H 2.572 0.01 1 6 1 1 MET C C 173.761 0.10 1 7 1 1 MET CA C 53.775 0.10 1 8 1 1 MET CB C 30.872 0.10 1 9 1 1 MET CG C 29.854 0.10 1 10 2 2 GLY H H 8.424 0.01 1 11 2 2 GLY HA2 H 3.938 0.01 2 12 2 2 GLY HA3 H 3.938 0.01 2 13 2 2 GLY C C 171.39 0.10 1 14 2 2 GLY CA C 43.145 0.10 1 15 2 2 GLY N N 110.38 0.10 1 16 3 3 LEU H H 8.061 0.01 1 17 3 3 LEU HA H 4.33 0.01 1 18 3 3 LEU HB2 H 1.552 0.01 2 19 3 3 LEU HB3 H 1.463 0.01 2 20 3 3 LEU HD1 H 0.827 0.01 1 21 3 3 LEU HD2 H 0.827 0.01 1 22 3 3 LEU C C 174.927 0.10 1 23 3 3 LEU CA C 52.998 0.10 1 24 3 3 LEU CB C 40.559 0.10 1 25 3 3 LEU CD1 C 21.41 0.10 1 26 3 3 LEU CD2 C 21.41 0.10 1 27 3 3 LEU N N 121.19 0.10 1 28 4 4 SER H H 8.1 0.01 1 29 4 4 SER HA H 4.374 0.01 1 30 4 4 SER HB2 H 3.701 0.01 2 31 4 4 SER HB3 H 3.701 0.01 2 32 4 4 SER C C 171.089 0.10 1 33 4 4 SER CA C 55.931 0.10 1 34 4 4 SER CB C 61.92 0.10 1 35 4 4 SER N N 116.075 0.10 1 36 5 5 PHE H H 8.106 0.01 1 37 5 5 PHE HA H 4.872 0.01 1 38 5 5 PHE HB2 H 3.129 0.01 2 39 5 5 PHE HB3 H 2.873 0.01 2 40 5 5 PHE C C 171.38 0.10 1 41 5 5 PHE CA C 53.477 0.10 1 42 5 5 PHE CB C 37.23 0.10 1 43 5 5 PHE N N 122.258 0.10 1 44 6 6 PRO HA H 4.433 0.01 1 45 6 6 PRO HB2 H 2.221 0.01 2 46 6 6 PRO HB3 H 1.872 0.01 2 47 6 6 PRO HG2 H 1.954 0.01 2 48 6 6 PRO HG3 H 1.901 0.01 2 49 6 6 PRO HD2 H 3.746 0.01 2 50 6 6 PRO HD3 H 3.543 0.01 2 51 6 6 PRO C C 174.37 0.10 1 52 6 6 PRO CA C 60.962 0.10 1 53 6 6 PRO CB C 29.94 0.10 1 54 6 6 PRO CG C 25.298 0.10 1 55 6 6 PRO CD C 48.506 0.10 1 56 7 7 SER H H 8.381 0.01 1 57 7 7 SER HA H 4.725 0.01 1 58 7 7 SER HB2 H 3.861 0.01 2 59 7 7 SER HB3 H 3.837 0.01 2 60 7 7 SER C C 170.863 0.10 1 61 7 7 SER CA C 54.519 0.10 1 62 7 7 SER CB C 61.397 0.10 1 63 7 7 SER N N 117.598 0.10 1 64 8 8 PRO HA H 4.397 0.01 1 65 8 8 PRO HB2 H 2.284 0.01 2 66 8 8 PRO HB3 H 1.936 0.01 2 67 8 8 PRO HG2 H 2.051 0.01 2 68 8 8 PRO HG3 H 1.952 0.01 2 69 8 8 PRO HD2 H 3.842 0.01 2 70 8 8 PRO HD3 H 3.737 0.01 2 71 8 8 PRO C C 175.375 0.10 1 72 8 8 PRO CA C 61.775 0.10 1 73 8 8 PRO CB C 29.931 0.10 1 74 8 8 PRO CG C 25.341 0.10 1 75 8 8 PRO CD C 48.82 0.10 1 76 9 9 GLY H H 8.362 0.01 1 77 9 9 GLY HA2 H 3.921 0.01 2 78 9 9 GLY HA3 H 3.921 0.01 2 79 9 9 GLY C C 171.952 0.10 1 80 9 9 GLY CA C 43.191 0.10 1 81 9 9 GLY N N 108.774 0.10 1 82 10 10 GLU H H 8.062 0.01 1 83 10 10 GLU HA H 4.327 0.01 1 84 10 10 GLU HB2 H 2.063 0.01 2 85 10 10 GLU HB3 H 1.934 0.01 2 86 10 10 GLU HG2 H 2.235 0.01 1 87 10 10 GLU HG3 H 2.235 0.01 1 88 10 10 GLU C C 174.24 0.10 1 89 10 10 GLU CA C 54.401 0.10 1 90 10 10 GLU CB C 28.373 0.10 1 91 10 10 GLU CG C 33.95 0.10 1 92 10 10 GLU N N 120.085 0.10 1 93 11 11 SER H H 8.273 0.01 1 94 11 11 SER HA H 4.413 0.01 1 95 11 11 SER HB2 H 3.811 0.01 1 96 11 11 SER HB3 H 3.811 0.01 1 97 11 11 SER C C 171.409 0.10 1 98 11 11 SER CA C 56.152 0.10 1 99 11 11 SER CB C 61.913 0.10 1 100 11 11 SER N N 116.616 0.10 1 101 12 12 ALA H H 8.191 0.01 1 102 12 12 ALA HA H 4.583 0.01 1 103 12 12 ALA HB H 1.314 0.01 1 104 12 12 ALA C C 172.672 0.10 1 105 12 12 ALA CA C 48.408 0.10 1 106 12 12 ALA CB C 16.19 0.10 1 107 12 12 ALA N N 126.678 0.10 1 108 14 14 PRO HA H 4.463 0.01 1 109 14 14 PRO HB2 H 2.25 0.01 2 110 14 14 PRO HB3 H 1.884 0.01 2 111 14 14 PRO HG2 H 2.004 0.01 1 112 14 14 PRO HG3 H 2.004 0.01 1 113 14 14 PRO HD2 H 3.78 0.01 2 114 14 14 PRO HD3 H 3.614 0.01 2 115 14 14 PRO C C 174.582 0.10 1 116 14 14 PRO CA C 60.858 0.10 1 117 14 14 PRO CB C 29.923 0.10 1 118 14 14 PRO CG C 25.288 0.10 1 119 14 14 PRO CD C 48.389 0.10 1 120 15 15 THR H H 8.073 0.01 1 121 15 15 THR HA H 4.57 0.01 1 122 15 15 THR HB H 4.216 0.01 1 123 15 15 THR HG2 H 1.244 0.01 1 124 15 15 THR C C 171.147 0.10 1 125 15 15 THR CA C 57.777 0.10 1 126 15 15 THR CB C 67.568 0.10 1 127 15 15 THR CG2 C 19.606 0.10 1 128 15 15 THR N N 115.514 0.10 1 129 16 16 PRO HA H 4.382 0.01 1 130 16 16 PRO HB2 H 2.275 0.01 2 131 16 16 PRO HB3 H 1.894 0.01 2 132 16 16 PRO HG2 H 2.015 0.01 1 133 16 16 PRO HG3 H 2.015 0.01 1 134 16 16 PRO HD2 H 3.807 0.01 2 135 16 16 PRO HD3 H 3.722 0.01 2 136 16 16 PRO C C 174.666 0.10 1 137 16 16 PRO CA C 61.802 0.10 1 138 16 16 PRO CB C 29.909 0.10 1 139 16 16 PRO CD C 48.935 0.10 1 140 17 17 ASP H H 8.374 0.01 1 141 17 17 ASP HA H 4.528 0.01 1 142 17 17 ASP HB2 H 2.688 0.01 2 143 17 17 ASP HB3 H 2.652 0.01 2 144 17 17 ASP C C 174.597 0.10 1 145 17 17 ASP CA C 52.639 0.10 1 146 17 17 ASP CB C 38.726 0.10 1 147 17 17 ASP N N 119.108 0.10 1 148 18 18 LEU H H 7.999 0.01 1 149 18 18 LEU HA H 4.179 0.01 1 150 18 18 LEU HB2 H 1.705 0.01 2 151 18 18 LEU HB3 H 1.618 0.01 2 152 18 18 LEU HG H 0.927 0.01 1 153 18 18 LEU HD1 H 0.906 0.01 2 154 18 18 LEU HD2 H 0.859 0.01 2 155 18 18 LEU C C 176.256 0.10 1 156 18 18 LEU CA C 54.577 0.10 1 157 18 18 LEU CB C 40.017 0.10 1 158 18 18 LEU CG C 24.978 0.10 1 159 18 18 LEU CD1 C 21.416 0.10 1 160 18 18 LEU CD2 C 21.416 0.10 1 161 18 18 LEU N N 121.882 0.10 1 162 19 19 GLU H H 8.227 0.01 1 163 19 19 GLU HA H 4.131 0.01 1 164 19 19 GLU HB2 H 2.029 0.01 1 165 19 19 GLU HB3 H 2.029 0.01 1 166 19 19 GLU HG2 H 2.278 0.01 1 167 19 19 GLU HG3 H 2.278 0.01 1 168 19 19 GLU C C 175.786 0.10 1 169 19 19 GLU CA C 56.034 0.10 1 170 19 19 GLU CB C 27.304 0.10 1 171 19 19 GLU N N 119.999 0.10 1 172 20 20 GLU H H 8.23 0.01 1 173 20 20 GLU HA H 4.126 0.01 1 174 20 20 GLU HB2 H 2.061 0.01 1 175 20 20 GLU HB3 H 2.061 0.01 1 176 20 20 GLU HG2 H 2.237 0.01 1 177 20 20 GLU HG3 H 2.237 0.01 1 178 20 20 GLU C C 175.662 0.10 1 179 20 20 GLU CA C 56.223 0.10 1 180 20 20 GLU CB C 27.426 0.10 1 181 20 20 GLU N N 121.052 0.10 1 182 21 21 LYS H H 8.029 0.01 1 183 21 21 LYS HA H 4.089 0.01 1 184 21 21 LYS HB2 H 1.855 0.01 1 185 21 21 LYS HB3 H 1.855 0.01 1 186 21 21 LYS HG2 H 1.554 0.01 2 187 21 21 LYS HG3 H 1.391 0.01 2 188 21 21 LYS HD2 H 1.648 0.01 2 189 21 21 LYS HD3 H 1.506 0.01 2 190 21 21 LYS HE2 H 2.956 0.01 1 191 21 21 LYS HE3 H 2.956 0.01 1 192 21 21 LYS C C 176.029 0.10 1 193 21 21 LYS CA C 56.241 0.10 1 194 21 21 LYS CB C 30.444 0.10 1 195 21 21 LYS CG C 23.024 0.10 1 196 21 21 LYS CD C 27.042 0.10 1 197 21 21 LYS CE C 40.133 0.10 1 198 21 21 LYS N N 119.979 0.10 1 199 22 22 ARG H H 8.1 0.01 1 200 22 22 ARG HA H 4.073 0.01 1 201 22 22 ARG HB2 H 1.865 0.01 2 202 22 22 ARG HB3 H 1.865 0.01 2 203 22 22 ARG HG2 H 1.728 0.01 2 204 22 22 ARG HG3 H 1.604 0.01 2 205 22 22 ARG HD2 H 3.168 0.01 1 206 22 22 ARG HD3 H 3.168 0.01 1 207 22 22 ARG C C 175.811 0.10 1 208 22 22 ARG CA C 56.34 0.10 1 209 22 22 ARG CB C 28.251 0.10 1 210 22 22 ARG CG C 25.151 0.10 1 211 22 22 ARG CD C 41.39 0.10 1 212 22 22 ARG N N 119.623 0.10 1 213 23 23 ALA H H 8.161 0.01 1 214 23 23 ALA HA H 4.192 0.01 1 215 23 23 ALA HB H 1.453 0.01 1 216 23 23 ALA C C 177.268 0.10 1 217 23 23 ALA CA C 52.147 0.10 1 218 23 23 ALA CB C 16.39 0.10 1 219 23 23 ALA N N 123.248 0.10 1 220 24 24 LYS H H 8.056 0.01 1 221 24 24 LYS HA H 4.168 0.01 1 222 24 24 LYS HB2 H 1.862 0.01 1 223 24 24 LYS HB3 H 1.862 0.01 1 224 24 24 LYS HE2 H 2.962 0.01 1 225 24 24 LYS HE3 H 2.962 0.01 1 226 24 24 LYS C C 176.596 0.10 1 227 24 24 LYS CA C 55.847 0.10 1 228 24 24 LYS CB C 30.385 0.10 1 229 24 24 LYS N N 119.013 0.10 1 230 25 25 LEU H H 7.997 0.01 1 231 25 25 LEU HA H 4.192 0.01 1 232 25 25 LEU HB2 H 1.776 0.01 2 233 25 25 LEU HB3 H 1.569 0.01 2 234 25 25 LEU HD1 H 0.891 0.01 2 235 25 25 LEU HD2 H 0.86 0.01 2 236 25 25 LEU C C 176.621 0.10 1 237 25 25 LEU CA C 54.738 0.10 1 238 25 25 LEU CB C 39.951 0.10 1 239 25 25 LEU CD1 C 21.363 0.10 1 240 25 25 LEU CD2 C 21.363 0.10 1 241 25 25 LEU N N 121.673 0.10 1 242 26 26 ALA H H 8.054 0.01 1 243 26 26 ALA HA H 4.208 0.01 1 244 26 26 ALA HB H 1.451 0.01 1 245 26 26 ALA C C 177.181 0.10 1 246 26 26 ALA CA C 52.078 0.10 1 247 26 26 ALA CB C 16.352 0.10 1 248 26 26 ALA N N 123.283 0.10 1 249 27 27 GLU H H 8.128 0.01 1 250 27 27 GLU HA H 4.126 0.01 1 251 27 27 GLU HB2 H 2.072 0.01 1 252 27 27 GLU HB3 H 2.072 0.01 1 253 27 27 GLU HG2 H 2.355 0.01 2 254 27 27 GLU HG3 H 2.252 0.01 2 255 27 27 GLU C C 175.811 0.10 1 256 27 27 GLU CA C 56.201 0.10 1 257 27 27 GLU CB C 27.639 0.10 1 258 27 27 GLU CG C 34.051 0.10 1 259 27 27 GLU N N 119.383 0.10 1 260 28 28 ALA H H 7.968 0.01 1 261 28 28 ALA HA H 4.153 0.01 1 262 28 28 ALA HB H 1.458 0.01 1 263 28 28 ALA C C 177.088 0.10 1 264 28 28 ALA CA C 52.133 0.10 1 265 28 28 ALA CB C 16.359 0.10 1 266 28 28 ALA N N 122.302 0.10 1 267 29 29 ALA H H 7.976 0.01 1 268 29 29 ALA HA H 4.138 0.01 1 269 29 29 ALA HB H 1.463 0.01 1 270 29 29 ALA C C 177.323 0.10 1 271 29 29 ALA CA C 52.291 0.10 1 272 29 29 ALA CB C 16.363 0.10 1 273 29 29 ALA N N 121.367 0.10 1 274 30 30 GLU H H 8.091 0.01 1 275 30 30 GLU HA H 4.122 0.01 1 276 30 30 GLU HB2 H 2.066 0.01 1 277 30 30 GLU HB3 H 2.066 0.01 1 278 30 30 GLU C C 175.82 0.10 1 279 30 30 GLU CA C 56.253 0.10 1 280 30 30 GLU CB C 27.426 0.10 1 281 30 30 GLU N N 119.072 0.10 1 282 31 31 ARG H H 8.034 0.01 1 283 31 31 ARG HA H 4.119 0.01 1 284 31 31 ARG HB2 H 1.872 0.01 2 285 31 31 ARG HB3 H 1.872 0.01 2 286 31 31 ARG HG2 H 1.721 0.01 2 287 31 31 ARG HG3 H 1.599 0.01 2 288 31 31 ARG HD2 H 3.187 0.01 1 289 31 31 ARG HD3 H 3.187 0.01 1 290 31 31 ARG C C 175.633 0.10 1 291 31 31 ARG CA C 56.137 0.10 1 292 31 31 ARG CB C 28.227 0.10 1 293 31 31 ARG CG C 25.283 0.10 1 294 31 31 ARG CD C 41.408 0.10 1 295 31 31 ARG N N 119.99 0.10 1 296 32 32 ARG H H 7.995 0.01 1 297 32 32 ARG HA H 4.178 0.01 1 298 32 32 ARG HB2 H 1.872 0.01 2 299 32 32 ARG HB3 H 1.872 0.01 2 300 32 32 ARG HG2 H 1.731 0.01 2 301 32 32 ARG HG3 H 1.62 0.01 2 302 32 32 ARG HD2 H 3.202 0.01 1 303 32 32 ARG HD3 H 3.202 0.01 1 304 32 32 ARG C C 175.814 0.10 1 305 32 32 ARG CA C 55.992 0.10 1 306 32 32 ARG CB C 28.274 0.10 1 307 32 32 ARG CG C 25.327 0.10 1 308 32 32 ARG CD C 41.251 0.10 1 309 32 32 ARG N N 119.385 0.10 1 310 33 33 GLN H H 8.058 0.01 1 311 33 33 GLN HA H 4.176 0.01 1 312 33 33 GLN HB2 H 2.127 0.01 2 313 33 33 GLN HB3 H 2.055 0.01 2 314 33 33 GLN HG2 H 2.425 0.01 1 315 33 33 GLN HG3 H 2.425 0.01 1 316 33 33 GLN C C 175.259 0.10 1 317 33 33 GLN CA C 55.548 0.10 1 318 33 33 GLN CB C 26.789 0.10 1 319 33 33 GLN N N 119.781 0.10 1 320 34 34 LYS H H 8.137 0.01 1 321 34 34 LYS HA H 4.154 0.01 1 322 34 34 LYS HB2 H 1.858 0.01 1 323 34 34 LYS HB3 H 1.858 0.01 1 324 34 34 LYS HG2 H 1.429 0.01 1 325 34 34 LYS HG3 H 1.429 0.01 1 326 34 34 LYS HD2 H 1.53 0.01 1 327 34 34 LYS HD3 H 1.53 0.01 1 328 34 34 LYS HE2 H 2.961 0.01 1 329 34 34 LYS HE3 H 2.961 0.01 1 330 34 34 LYS C C 175.949 0.10 1 331 34 34 LYS CA C 55.877 0.10 1 332 34 34 LYS CB C 30.615 0.10 1 333 34 34 LYS N N 120.902 0.10 1 334 35 35 GLU H H 8.215 0.01 1 335 35 35 GLU HA H 4.139 0.01 1 336 35 35 GLU HB2 H 2.03 0.01 1 337 35 35 GLU HB3 H 2.03 0.01 1 338 35 35 GLU HG2 H 2.349 0.01 2 339 35 35 GLU HG3 H 2.256 0.01 2 340 35 35 GLU C C 175.343 0.10 1 341 35 35 GLU CA C 55.724 0.10 1 342 35 35 GLU CB C 27.635 0.10 1 343 35 35 GLU CG C 34.174 0.10 1 344 35 35 GLU N N 120.354 0.10 1 345 36 36 ALA H H 8.048 0.01 1 346 36 36 ALA HA H 4.176 0.01 1 347 36 36 ALA HB H 1.428 0.01 1 348 36 36 ALA C C 176.404 0.10 1 349 36 36 ALA CA C 51.54 0.10 1 350 36 36 ALA CB C 16.558 0.10 1 351 36 36 ALA N N 123.13 0.10 1 352 37 37 ALA H H 8.024 0.01 1 353 37 37 ALA HA H 4.258 0.01 1 354 37 37 ALA HB H 1.433 0.01 1 355 37 37 ALA C C 176.461 0.10 1 356 37 37 ALA CA C 51.274 0.10 1 357 37 37 ALA CB C 16.714 0.10 1 358 37 37 ALA N N 121.237 0.10 1 359 38 38 SER H H 7.984 0.01 1 360 38 38 SER HA H 4.379 0.01 1 361 38 38 SER HB2 H 3.917 0.01 1 362 38 38 SER HB3 H 3.917 0.01 1 363 38 38 SER C C 172.715 0.10 1 364 38 38 SER CA C 57.036 0.10 1 365 38 38 SER CB C 61.685 0.10 1 366 38 38 SER N N 113.783 0.10 1 367 39 39 ARG H H 8.043 0.01 1 368 39 39 ARG HA H 4.317 0.01 1 369 39 39 ARG HB2 H 1.917 0.01 2 370 39 39 ARG HB3 H 1.797 0.01 2 371 39 39 ARG HG2 H 1.774 0.01 2 372 39 39 ARG HG3 H 1.683 0.01 2 373 39 39 ARG HD2 H 3.18 0.01 1 374 39 39 ARG HD3 H 3.18 0.01 1 375 39 39 ARG C C 174.624 0.10 1 376 39 39 ARG CA C 54.543 0.10 1 377 39 39 ARG CB C 28.597 0.10 1 378 39 39 ARG CG C 24.99 0.10 1 379 39 39 ARG CD C 41.328 0.10 1 380 39 39 ARG N N 121.628 0.10 1 381 40 40 GLY H H 8.225 0.01 1 382 40 40 GLY HA2 H 3.928 0.01 2 383 40 40 GLY HA3 H 3.928 0.01 2 384 40 40 GLY C C 172.005 0.10 1 385 40 40 GLY CA C 43.471 0.10 1 386 40 40 GLY N N 108.702 0.10 1 387 41 41 ILE H H 7.859 0.01 1 388 41 41 ILE HA H 4.121 0.01 1 389 41 41 ILE HB H 1.846 0.01 1 390 41 41 ILE HG12 H 1.435 0.01 2 391 41 41 ILE HG13 H 1.153 0.01 2 392 41 41 ILE HG2 H 0.965 0.01 1 393 41 41 ILE HD1 H 0.858 0.01 1 394 41 41 ILE C C 174.08 0.10 1 395 41 41 ILE CA C 59.397 0.10 1 396 41 41 ILE CB C 36.526 0.10 1 397 41 41 ILE CG1 C 25.333 0.10 1 398 41 41 ILE CG2 C 15.456 0.10 1 399 41 41 ILE N N 119.524 0.10 1 400 42 42 LEU H H 8.148 0.01 1 401 42 42 LEU HA H 4.321 0.01 1 402 42 42 LEU HB2 H 1.607 0.01 2 403 42 42 LEU HB3 H 1.56 0.01 2 404 42 42 LEU HD1 H 0.887 0.01 2 405 42 42 LEU HD2 H 0.833 0.01 2 406 42 42 LEU C C 174.788 0.10 1 407 42 42 LEU CA C 53.197 0.10 1 408 42 42 LEU CB C 40.383 0.10 1 409 42 42 LEU CG C 24.947 0.10 1 410 42 42 LEU N N 124.717 0.10 1 411 43 43 ASP H H 8.184 0.01 1 412 43 43 ASP HA H 4.608 0.01 1 413 43 43 ASP HB2 H 2.71 0.01 2 414 43 43 ASP HB3 H 2.597 0.01 2 415 43 43 ASP C C 174.202 0.10 1 416 43 43 ASP CA C 52.196 0.10 1 417 43 43 ASP CB C 38.956 0.10 1 418 43 43 ASP N N 121.348 0.10 1 419 44 44 VAL H H 7.976 0.01 1 420 44 44 VAL HA H 4.02 0.01 1 421 44 44 VAL HB H 2.109 0.01 1 422 44 44 VAL HG1 H 0.923 0.01 1 423 44 44 VAL HG2 H 0.923 0.01 1 424 44 44 VAL C C 174.443 0.10 1 425 44 44 VAL CA C 61.001 0.10 1 426 44 44 VAL CB C 30.369 0.10 1 427 44 44 VAL CG1 C 18.914 0.10 2 428 44 44 VAL N N 119.781 0.10 1 429 45 45 GLN H H 8.334 0.01 1 430 45 45 GLN HA H 4.271 0.01 1 431 45 45 GLN HB2 H 2.087 0.01 2 432 45 45 GLN HB3 H 2.009 0.01 2 433 45 45 GLN HG2 H 2.366 0.01 1 434 45 45 GLN HG3 H 2.366 0.01 1 435 45 45 GLN C C 174.415 0.10 1 436 45 45 GLN CA C 54.607 0.10 1 437 45 45 GLN CB C 27.184 0.10 1 438 45 45 GLN CG C 31.861 0.10 1 439 45 45 GLN N N 122.018 0.10 1 440 46 46 SER H H 8.206 0.01 1 441 46 46 SER HA H 4.382 0.01 1 442 46 46 SER HB2 H 3.928 0.01 2 443 46 46 SER HB3 H 3.89 0.01 2 444 46 46 SER C C 173.018 0.10 1 445 46 46 SER CA C 56.962 0.10 1 446 46 46 SER CB C 61.642 0.10 1 447 46 46 SER N N 116.297 0.10 1 448 47 47 VAL H H 8.024 0.01 1 449 47 47 VAL HA H 3.955 0.01 1 450 47 47 VAL HB H 2.099 0.01 1 451 47 47 VAL HG1 H 0.958 0.01 2 452 47 47 VAL HG2 H 0.916 0.01 2 453 47 47 VAL C C 174.816 0.10 1 454 47 47 VAL CA C 61.778 0.10 1 455 47 47 VAL CB C 30.278 0.10 1 456 47 47 VAL CG1 C 19 0.10 2 457 47 47 VAL N N 121.214 0.10 1 458 48 48 GLN H H 8.235 0.01 1 459 48 48 GLN HA H 4.181 0.01 1 460 48 48 GLN HB2 H 2.023 0.01 1 461 48 48 GLN HB3 H 2.023 0.01 1 462 48 48 GLN HG2 H 2.375 0.01 1 463 48 48 GLN HG3 H 2.375 0.01 1 464 48 48 GLN C C 174.72 0.10 1 465 48 48 GLN CA C 54.965 0.10 1 466 48 48 GLN CB C 26.942 0.10 1 467 48 48 GLN CG C 31.754 0.10 1 468 48 48 GLN N N 121.592 0.10 1 469 49 49 GLU H H 8.203 0.01 1 470 49 49 GLU HA H 4.147 0.01 1 471 49 49 GLU HB2 H 2.011 0.01 2 472 49 49 GLU HB3 H 1.995 0.01 2 473 49 49 GLU HG2 H 2.259 0.01 1 474 49 49 GLU HG3 H 2.259 0.01 1 475 49 49 GLU C C 175.064 0.10 1 476 49 49 GLU CA C 55.367 0.10 1 477 49 49 GLU CB C 27.921 0.10 1 478 49 49 GLU CG C 34.07 0.10 1 479 49 49 GLU N N 121.075 0.10 1 480 50 50 LYS H H 8.146 0.01 1 481 50 50 LYS HA H 4.163 0.01 1 482 50 50 LYS HB2 H 1.809 0.01 1 483 50 50 LYS HB3 H 1.809 0.01 1 484 50 50 LYS HG2 H 1.411 0.01 1 485 50 50 LYS HG3 H 1.411 0.01 1 486 50 50 LYS HD2 H 1.653 0.01 2 487 50 50 LYS HD3 H 1.512 0.01 2 488 50 50 LYS HE2 H 2.96 0.01 1 489 50 50 LYS HE3 H 2.96 0.01 1 490 50 50 LYS C C 175.077 0.10 1 491 50 50 LYS CA C 55.485 0.10 1 492 50 50 LYS CB C 30.572 0.10 1 493 50 50 LYS CG C 23.088 0.10 1 494 50 50 LYS CD C 27.095 0.10 1 495 50 50 LYS CE C 40.107 0.10 1 496 50 50 LYS N N 121.059 0.10 1 497 51 51 ARG H H 8.048 0.01 1 498 51 51 ARG HA H 4.224 0.01 1 499 51 51 ARG HB2 H 1.843 0.01 2 500 51 51 ARG HB3 H 1.775 0.01 2 501 51 51 ARG HG2 H 1.632 0.01 1 502 51 51 ARG HG3 H 1.632 0.01 1 503 51 51 ARG HD2 H 3.162 0.01 1 504 51 51 ARG HD3 H 3.162 0.01 1 505 51 51 ARG C C 174.474 0.10 1 506 51 51 ARG CA C 54.715 0.10 1 507 51 51 ARG CB C 28.526 0.10 1 508 51 51 ARG CG C 25.198 0.10 1 509 51 51 ARG CD C 41.356 0.10 1 510 51 51 ARG N N 120.258 0.10 1 511 52 52 LYS H H 8.077 0.01 1 512 52 52 LYS HA H 4.212 0.01 1 513 52 52 LYS HB2 H 1.8 0.01 2 514 52 52 LYS HB3 H 1.761 0.01 2 515 52 52 LYS HG2 H 1.432 0.01 1 516 52 52 LYS HG3 H 1.432 0.01 1 517 52 52 LYS HD2 H 1.655 0.01 1 518 52 52 LYS HD3 H 1.655 0.01 1 519 52 52 LYS HE2 H 2.954 0.01 1 520 52 52 LYS HE3 H 2.954 0.01 1 521 52 52 LYS C C 174.664 0.10 1 522 52 52 LYS CA C 54.745 0.10 1 523 52 52 LYS CB C 30.927 0.10 1 524 52 52 LYS CG C 22.741 0.10 1 525 52 52 LYS CE C 40.155 0.10 1 526 52 52 LYS N N 121.483 0.10 1 527 53 53 LYS H H 8.141 0.01 1 528 53 53 LYS HA H 4.215 0.01 1 529 53 53 LYS HB2 H 1.781 0.01 1 530 53 53 LYS HB3 H 1.781 0.01 1 531 53 53 LYS HG2 H 1.407 0.01 1 532 53 53 LYS HG3 H 1.407 0.01 1 533 53 53 LYS HD2 H 1.665 0.01 1 534 53 53 LYS HD3 H 1.665 0.01 1 535 53 53 LYS HE2 H 2.963 0.01 1 536 53 53 LYS HE3 H 2.963 0.01 1 537 53 53 LYS C C 174.405 0.10 1 538 53 53 LYS CA C 54.624 0.10 1 539 53 53 LYS CB C 30.953 0.10 1 540 53 53 LYS CE C 40.136 0.10 1 541 53 53 LYS N N 121.984 0.10 1 542 54 54 LYS H H 8.208 0.01 1 543 54 54 LYS HA H 4.229 0.01 1 544 54 54 LYS HB2 H 1.795 0.01 2 545 54 54 LYS HB3 H 1.748 0.01 2 546 54 54 LYS HG2 H 1.403 0.01 1 547 54 54 LYS HG3 H 1.403 0.01 1 548 54 54 LYS CA C 54.612 0.10 1 549 54 54 LYS CB C 30.878 0.10 1 550 54 54 LYS CG C 22.811 0.10 1 551 54 54 LYS N N 122.369 0.10 1 552 56 56 LYS HA H 4.25 0.01 1 553 56 56 LYS HB2 H 1.805 0.01 2 554 56 56 LYS HB3 H 1.745 0.01 2 555 56 56 LYS HG2 H 1.366 0.01 1 556 56 56 LYS HG3 H 1.366 0.01 1 557 56 56 LYS HD2 H 1.689 0.01 1 558 56 56 LYS HD3 H 1.689 0.01 1 559 56 56 LYS HE2 H 2.96 0.01 1 560 56 56 LYS HE3 H 2.96 0.01 1 561 56 56 LYS C C 174.148 0.10 1 562 56 56 LYS CA C 54.531 0.10 1 563 56 56 LYS CB C 30.915 0.10 1 564 56 56 LYS CD C 27.123 0.10 1 565 56 56 LYS CE C 40.111 0.10 1 566 57 57 ILE H H 8.093 0.01 1 567 57 57 ILE HA H 4.11 0.01 1 568 57 57 ILE HB H 1.821 0.01 1 569 57 57 ILE HG12 H 1.452 0.01 2 570 57 57 ILE HG13 H 1.161 0.01 2 571 57 57 ILE HG2 H 1.155 0.01 1 572 57 57 ILE HD1 H 0.85 0.01 1 573 57 57 ILE C C 174.078 0.10 1 574 57 57 ILE CA C 59.106 0.10 1 575 57 57 ILE CB C 36.544 0.10 1 576 57 57 ILE CG1 C 25.289 0.10 1 577 57 57 ILE N N 122.349 0.10 1 578 58 58 GLU H H 8.436 0.01 1 579 58 58 GLU HA H 4.262 0.01 1 580 58 58 GLU HB2 H 2.003 0.01 2 581 58 58 GLU HB3 H 1.899 0.01 2 582 58 58 GLU HG2 H 2.261 0.01 2 583 58 58 GLU HG3 H 2.212 0.01 2 584 58 58 GLU C C 174.106 0.10 1 585 58 58 GLU CA C 54.489 0.10 1 586 58 58 GLU CB C 28.292 0.10 1 587 58 58 GLU CG C 34.064 0.10 1 588 58 58 GLU N N 125.064 0.10 1 589 59 59 LYS H H 8.244 0.01 1 590 59 59 LYS HA H 4.24 0.01 1 591 59 59 LYS HB2 H 1.788 0.01 2 592 59 59 LYS HB3 H 1.74 0.01 2 593 59 59 LYS HG2 H 1.402 0.01 2 594 59 59 LYS HG3 H 1.402 0.01 2 595 59 59 LYS HE2 H 2.965 0.01 1 596 59 59 LYS HE3 H 2.965 0.01 1 597 59 59 LYS C C 174.122 0.10 1 598 59 59 LYS CA C 54.413 0.10 1 599 59 59 LYS CB C 30.948 0.10 1 600 59 59 LYS CG C 22.654 0.10 1 601 59 59 LYS CE C 40.132 0.10 1 602 59 59 LYS N N 121.972 0.10 1 603 60 60 GLN H H 8.329 0.01 1 604 60 60 GLN HA H 4.307 0.01 1 605 60 60 GLN HB2 H 2.044 0.01 2 606 60 60 GLN HB3 H 1.959 0.01 2 607 60 60 GLN HG2 H 2.322 0.01 1 608 60 60 GLN HG3 H 2.322 0.01 1 609 60 60 GLN C C 173.673 0.10 1 610 60 60 GLN CA C 53.877 0.10 1 611 60 60 GLN CB C 27.397 0.10 1 612 60 60 GLN CG C 31.776 0.10 1 613 60 60 GLN N N 121.817 0.10 1 614 61 61 ILE H H 8.166 0.01 1 615 61 61 ILE HA H 4.117 0.01 1 616 61 61 ILE HB H 1.827 0.01 1 617 61 61 ILE HG12 H 1.44 0.01 2 618 61 61 ILE HG13 H 1.154 0.01 2 619 61 61 ILE HG2 H 0.873 0.01 1 620 61 61 ILE HD1 H 0.825 0.01 1 621 61 61 ILE C C 173.739 0.10 1 622 61 61 ILE CA C 59.165 0.10 1 623 61 61 ILE CB C 36.677 0.10 1 624 61 61 ILE CG1 C 25.257 0.10 1 625 61 61 ILE CG2 C 15.444 0.10 1 626 61 61 ILE CD1 C 10.804 0.10 1 627 61 61 ILE N N 122.315 0.10 1 628 62 62 ALA H H 8.337 0.01 1 629 62 62 ALA HA H 4.388 0.01 1 630 62 62 ALA HB H 1.382 0.01 1 631 62 62 ALA C C 175.583 0.10 1 632 62 62 ALA CA C 50.492 0.10 1 633 62 62 ALA CB C 17.295 0.10 1 634 62 62 ALA N N 127.723 0.10 1 635 63 63 THR H H 8.072 0.01 1 636 63 63 THR HA H 4.352 0.01 1 637 63 63 THR HB H 4.244 0.01 1 638 63 63 THR HG2 H 1.177 0.01 1 639 63 63 THR C C 172.323 0.10 1 640 63 63 THR CA C 59.699 0.10 1 641 63 63 THR CB C 67.878 0.10 1 642 63 63 THR CG2 C 19.461 0.10 1 643 63 63 THR N N 112.976 0.10 1 644 64 64 SER H H 8.219 0.01 1 645 64 64 SER HA H 4.501 0.01 1 646 64 64 SER HB2 H 3.858 0.01 1 647 64 64 SER HB3 H 3.858 0.01 1 648 64 64 SER C C 172.201 0.10 1 649 64 64 SER CA C 56.222 0.10 1 650 64 64 SER CB C 62.339 0.10 1 651 64 64 SER N N 117.384 0.10 1 652 65 65 GLY H H 8.154 0.01 1 653 65 65 GLY HA2 H 4.117 0.01 2 654 65 65 GLY HA3 H 4.035 0.01 2 655 65 65 GLY CA C 42.45 0.10 1 656 65 65 GLY N N 110.401 0.10 1 657 68 68 PRO HA H 4.361 0.01 1 658 68 68 PRO HB2 H 2.229 0.01 2 659 68 68 PRO HB3 H 1.865 0.01 2 660 68 68 PRO HG2 H 1.972 0.01 1 661 68 68 PRO HG3 H 1.972 0.01 1 662 68 68 PRO HD2 H 3.745 0.01 2 663 68 68 PRO HD3 H 3.573 0.01 2 664 68 68 PRO C C 174.956 0.10 1 665 68 68 PRO CA C 61.067 0.10 1 666 68 68 PRO CB C 29.892 0.10 1 667 68 68 PRO CG C 25.253 0.10 1 668 68 68 PRO CD C 48.09 0.10 1 669 69 69 GLU H H 8.497 0.01 1 670 69 69 GLU HA H 4.179 0.01 1 671 69 69 GLU HB2 H 1.999 0.01 2 672 69 69 GLU HB3 H 1.922 0.01 2 673 69 69 GLU HG2 H 2.242 0.01 1 674 69 69 GLU HG3 H 2.242 0.01 1 675 69 69 GLU C C 174.93 0.10 1 676 69 69 GLU CA C 54.825 0.10 1 677 69 69 GLU CB C 27.867 0.10 1 678 69 69 GLU CG C 33.991 0.10 1 679 69 69 GLU N N 120.554 0.10 1 680 70 70 GLY H H 8.319 0.01 1 681 70 70 GLY HA2 H 3.924 0.01 2 682 70 70 GLY HA3 H 3.879 0.01 2 683 70 70 GLY C C 172.487 0.10 1 684 70 70 GLY CA C 43.369 0.10 1 685 70 70 GLY N N 109.638 0.10 1 686 71 71 GLY H H 8.173 0.01 1 687 71 71 GLY HA2 H 3.916 0.01 2 688 71 71 GLY HA3 H 3.916 0.01 2 689 71 71 GLY C C 171.894 0.10 1 690 71 71 GLY CA C 43.173 0.10 1 691 71 71 GLY N N 108.083 0.10 1 692 72 72 LEU H H 8.032 0.01 1 693 72 72 LEU HA H 4.248 0.01 1 694 72 72 LEU HB2 H 1.548 0.01 2 695 72 72 LEU HB3 H 1.432 0.01 2 696 72 72 LEU HG H 1.69 0.01 1 697 72 72 LEU HD1 H 0.862 0.01 1 698 72 72 LEU HD2 H 0.862 0.01 1 699 72 72 LEU C C 175.238 0.10 1 700 72 72 LEU CA C 53.287 0.10 1 701 72 72 LEU CB C 40.283 0.10 1 702 72 72 LEU CG C 24.878 0.10 1 703 72 72 LEU CD1 C 21.327 0.10 1 704 72 72 LEU CD2 C 21.327 0.10 1 705 72 72 LEU N N 121.068 0.10 1 706 73 73 ARG H H 8.145 0.01 1 707 73 73 ARG HA H 4.204 0.01 1 708 73 73 ARG HB2 H 1.637 0.01 1 709 73 73 ARG HB3 H 1.637 0.01 1 710 73 73 ARG HG2 H 1.424 0.01 1 711 73 73 ARG HG3 H 1.424 0.01 1 712 73 73 ARG HD2 H 3.06 0.01 1 713 73 73 ARG HD3 H 3.06 0.01 1 714 73 73 ARG C C 173.785 0.10 1 715 73 73 ARG CA C 54.248 0.10 1 716 73 73 ARG CB C 28.428 0.10 1 717 73 73 ARG CG C 24.913 0.10 1 718 73 73 ARG CD C 41.201 0.10 1 719 73 73 ARG N N 120.637 0.10 1 720 74 74 TRP H H 7.984 0.01 1 721 74 74 TRP HA H 4.69 0.01 1 722 74 74 TRP HB2 H 3.284 0.01 2 723 74 74 TRP HB3 H 3.192 0.01 2 724 74 74 TRP HE1 H 10.065 0.01 1 725 74 74 TRP HE3 H 7.191 0.01 1 726 74 74 TRP C C 174.015 0.10 1 727 74 74 TRP CA C 55.258 0.10 1 728 74 74 TRP CB C 27.571 0.10 1 729 74 74 TRP N N 121.118 0.10 1 730 74 74 TRP NE1 N 129.037 0.10 1 731 75 75 THR H H 7.811 0.01 1 732 75 75 THR HA H 4.222 0.01 1 733 75 75 THR HB H 4.104 0.01 1 734 75 75 THR HG2 H 1.053 0.01 1 735 75 75 THR C C 172.051 0.10 1 736 75 75 THR CA C 59.836 0.10 1 737 75 75 THR CB C 68.171 0.10 1 738 75 75 THR CG2 C 19.389 0.10 1 739 75 75 THR N N 115.243 0.10 1 740 76 76 VAL H H 7.933 0.01 1 741 76 76 VAL HA H 4.018 0.01 1 742 76 76 VAL HB H 2.017 0.01 1 743 76 76 VAL HG1 H 0.902 0.01 2 744 76 76 VAL HG2 H 0.883 0.01 2 745 76 76 VAL C C 173.859 0.10 1 746 76 76 VAL CA C 60.539 0.10 1 747 76 76 VAL CB C 30.589 0.10 1 748 76 76 VAL CG1 C 18.757 0.10 1 749 76 76 VAL CG2 C 18.757 0.10 1 750 76 76 VAL N N 121.401 0.10 1 751 77 77 SER H H 8.187 0.01 1 752 77 77 SER HA H 4.386 0.01 1 753 77 77 SER HB2 H 3.814 0.01 1 754 77 77 SER HB3 H 3.814 0.01 1 755 77 77 SER C C 172.481 0.10 1 756 77 77 SER CA C 56.334 0.10 1 757 77 77 SER CB C 61.661 0.10 1 758 77 77 SER N N 118.459 0.10 1 stop_ save_