data_11491 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure and siRNA-mediated knockdown analysis of the mitochondrial disease-related protein C12orf65 (ICT2) ; _BMRB_accession_number 11491 _BMRB_flat_file_name bmr11491.str _Entry_type original _Submission_date 2012-03-28 _Accession_date 2012-04-02 _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 Enomoto Mayu . . 2 Tochio Naoya . . 3 Tomizawa Tadashi . . 4 Koshiba Seizo . . 5 Guntert Peter . . 6 Kigawa Takanori . . 7 Yokoyama Shigeyuki . . 8 Nameki Nobukazu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 637 "13C chemical shifts" 469 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-06 original author . stop_ _Original_release_date 2012-08-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and siRNA-mediated knockdown analysis of the mitochondrial disease-related protein C12orf65' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22821833 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kogure H. . . 2 Hikawa Y. . . 3 Hagihara M. . . 4 Tochio N. . . 5 Koshiba S. . . 6 Inoue Y. . . 7 Guntert P. . . 8 Kigawa T. . . 9 Yokoyama S. . . 10 Nameki N. . . stop_ _Journal_abbreviation Proteins _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 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'the mitochondrial disease-related protein C12orf65' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label C12orf65 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12305.086 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSSGSSGKWGLRLQEKPALL FPGMAASTVQVAGRKDYPAL LPLNESELEEQFVKGHGPGG QATNKTSNCVVLKHVPSGIV VKCHQTRSVDQNRKIARKVL QEKVDVFYNSGPSSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 SER 4 4 GLY 5 5 SER 6 6 SER 7 7 GLY 8 8 LYS 9 9 TRP 10 10 GLY 11 11 LEU 12 12 ARG 13 13 LEU 14 14 GLN 15 15 GLU 16 16 LYS 17 17 PRO 18 18 ALA 19 19 LEU 20 20 LEU 21 21 PHE 22 22 PRO 23 23 GLY 24 24 MET 25 25 ALA 26 26 ALA 27 27 SER 28 28 THR 29 29 VAL 30 30 GLN 31 31 VAL 32 32 ALA 33 33 GLY 34 34 ARG 35 35 LYS 36 36 ASP 37 37 TYR 38 38 PRO 39 39 ALA 40 40 LEU 41 41 LEU 42 42 PRO 43 43 LEU 44 44 ASN 45 45 GLU 46 46 SER 47 47 GLU 48 48 LEU 49 49 GLU 50 50 GLU 51 51 GLN 52 52 PHE 53 53 VAL 54 54 LYS 55 55 GLY 56 56 HIS 57 57 GLY 58 58 PRO 59 59 GLY 60 60 GLY 61 61 GLN 62 62 ALA 63 63 THR 64 64 ASN 65 65 LYS 66 66 THR 67 67 SER 68 68 ASN 69 69 CYS 70 70 VAL 71 71 VAL 72 72 LEU 73 73 LYS 74 74 HIS 75 75 VAL 76 76 PRO 77 77 SER 78 78 GLY 79 79 ILE 80 80 VAL 81 81 VAL 82 82 LYS 83 83 CYS 84 84 HIS 85 85 GLN 86 86 THR 87 87 ARG 88 88 SER 89 89 VAL 90 90 ASP 91 91 GLN 92 92 ASN 93 93 ARG 94 94 LYS 95 95 ILE 96 96 ALA 97 97 ARG 98 98 LYS 99 99 VAL 100 100 LEU 101 101 GLN 102 102 GLU 103 103 LYS 104 104 VAL 105 105 ASP 106 106 VAL 107 107 PHE 108 108 TYR 109 109 ASN 110 110 SER 111 111 GLY 112 112 PRO 113 113 SER 114 114 SER 115 115 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2RSM "Solution Structure And Sirna-Mediated Knockdown Analysis Of The Mitochondrial Disease-Related Protein C12orf65 (Ict2)" 100.00 115 100.00 100.00 2.30e-77 DBJ BAB28408 "unnamed protein product [Mus musculus]" 90.43 142 99.04 99.04 6.02e-69 DBJ BAC30294 "unnamed protein product [Mus musculus]" 66.96 128 100.00 100.00 5.78e-47 DBJ BAE24439 "unnamed protein product [Mus musculus]" 90.43 152 100.00 100.00 8.97e-70 GB AAH46909 "RIKEN cDNA 2810006K23 gene [Mus musculus]" 90.43 184 100.00 100.00 9.97e-70 GB EDL19595 "RIKEN cDNA 2810006K23, isoform CRA_a [Mus musculus]" 66.96 128 100.00 100.00 5.78e-47 GB EDL19596 "RIKEN cDNA 2810006K23, isoform CRA_b [Mus musculus]" 90.43 184 100.00 100.00 9.97e-70 REF NP_001128189 "probable peptide chain release factor C12orf65 homolog, mitochondrial isoform a [Mus musculus]" 90.43 184 100.00 100.00 9.97e-70 REF NP_082586 "probable peptide chain release factor C12orf65 homolog, mitochondrial isoform b [Mus musculus]" 66.96 128 100.00 100.00 5.78e-47 SP Q80VP5 "RecName: Full=Probable peptide chain release factor C12orf65 homolog, mitochondrial; Flags: Precursor" 90.43 184 100.00 100.00 9.97e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'cell free synthesis' 'E. coli' Escherichia coli . P070213-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.96 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 296 . 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 water C 13 protons ppm 4.78 internal indirect . . . 0.251449530 water H 1 protons ppm 4.78 internal direct . . . 1.000000000 water N 15 protons ppm 4.78 internal 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 1H-13C NOESY' '3D 1H-15N NOESY' 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 C12orf65 _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 8 8 LYS HA H 4.200 0.030 1 2 8 8 LYS HB2 H 1.564 0.030 1 3 8 8 LYS HB3 H 1.564 0.030 1 4 8 8 LYS HG2 H 1.173 0.030 2 5 8 8 LYS HG3 H 1.119 0.030 2 6 8 8 LYS HD2 H 1.529 0.030 1 7 8 8 LYS HD3 H 1.529 0.030 1 8 8 8 LYS HE2 H 2.845 0.030 1 9 8 8 LYS HE3 H 2.845 0.030 1 10 8 8 LYS CA C 56.898 0.300 1 11 8 8 LYS CB C 32.813 0.300 1 12 8 8 LYS CG C 24.424 0.300 1 13 8 8 LYS CD C 28.924 0.300 1 14 8 8 LYS CE C 42.100 0.300 1 15 9 9 TRP H H 8.120 0.030 1 16 9 9 TRP HA H 4.680 0.030 1 17 9 9 TRP HB2 H 3.357 0.030 2 18 9 9 TRP HB3 H 3.235 0.030 2 19 9 9 TRP HD1 H 7.255 0.030 1 20 9 9 TRP HE1 H 10.142 0.030 1 21 9 9 TRP HE3 H 7.622 0.030 1 22 9 9 TRP HZ2 H 7.491 0.030 1 23 9 9 TRP HZ3 H 7.143 0.030 1 24 9 9 TRP HH2 H 7.228 0.030 1 25 9 9 TRP C C 176.774 0.300 1 26 9 9 TRP CA C 57.360 0.300 1 27 9 9 TRP CB C 29.575 0.300 1 28 9 9 TRP CD1 C 127.285 0.300 1 29 9 9 TRP CE3 C 120.958 0.300 1 30 9 9 TRP CZ2 C 114.617 0.300 1 31 9 9 TRP CZ3 C 122.042 0.300 1 32 9 9 TRP CH2 C 124.645 0.300 1 33 9 9 TRP N N 121.073 0.300 1 34 9 9 TRP NE1 N 129.206 0.300 1 35 10 10 GLY H H 8.155 0.030 1 36 10 10 GLY HA2 H 3.847 0.030 1 37 10 10 GLY HA3 H 3.847 0.030 1 38 10 10 GLY C C 173.968 0.300 1 39 10 10 GLY CA C 45.521 0.300 1 40 10 10 GLY N N 109.759 0.300 1 41 11 11 LEU H H 7.965 0.030 1 42 11 11 LEU HA H 4.293 0.030 1 43 11 11 LEU HB2 H 1.612 0.030 2 44 11 11 LEU HB3 H 1.574 0.030 2 45 11 11 LEU HG H 1.592 0.030 1 46 11 11 LEU HD1 H 0.852 0.030 1 47 11 11 LEU HD2 H 0.852 0.030 1 48 11 11 LEU C C 177.326 0.300 1 49 11 11 LEU CA C 55.316 0.300 1 50 11 11 LEU CB C 42.429 0.300 1 51 11 11 LEU CG C 26.976 0.300 1 52 11 11 LEU CD1 C 24.996 0.300 2 53 11 11 LEU CD2 C 23.345 0.300 2 54 11 11 LEU N N 121.547 0.300 1 55 12 12 ARG H H 8.313 0.030 1 56 12 12 ARG HA H 4.303 0.030 1 57 12 12 ARG HB2 H 1.761 0.030 2 58 12 12 ARG HB3 H 1.842 0.030 2 59 12 12 ARG HG2 H 1.591 0.030 1 60 12 12 ARG HG3 H 1.591 0.030 1 61 12 12 ARG HD2 H 3.145 0.030 1 62 12 12 ARG HD3 H 3.145 0.030 1 63 12 12 ARG C C 176.163 0.300 1 64 12 12 ARG CA C 56.014 0.300 1 65 12 12 ARG CB C 30.555 0.300 1 66 12 12 ARG CG C 27.059 0.300 1 67 12 12 ARG CD C 43.315 0.300 1 68 12 12 ARG N N 121.666 0.300 1 69 13 13 LEU H H 8.231 0.030 1 70 13 13 LEU HA H 4.308 0.030 1 71 13 13 LEU HB2 H 1.641 0.030 1 72 13 13 LEU HB3 H 1.641 0.030 1 73 13 13 LEU HG H 1.587 0.030 1 74 13 13 LEU HD1 H 0.909 0.030 1 75 13 13 LEU HD2 H 0.858 0.030 1 76 13 13 LEU C C 177.215 0.300 1 77 13 13 LEU CA C 55.323 0.300 1 78 13 13 LEU CB C 42.235 0.300 1 79 13 13 LEU CG C 26.951 0.300 1 80 13 13 LEU CD1 C 24.962 0.300 2 81 13 13 LEU CD2 C 23.302 0.300 2 82 13 13 LEU N N 123.088 0.300 1 83 14 14 GLN H H 8.346 0.030 1 84 14 14 GLN HA H 4.301 0.030 1 85 14 14 GLN HB2 H 1.966 0.030 2 86 14 14 GLN HB3 H 2.085 0.030 2 87 14 14 GLN HG2 H 2.341 0.030 1 88 14 14 GLN HG3 H 2.341 0.030 1 89 14 14 GLN HE21 H 7.554 0.030 2 90 14 14 GLN HE22 H 6.867 0.030 2 91 14 14 GLN C C 175.680 0.300 1 92 14 14 GLN CA C 55.864 0.300 1 93 14 14 GLN CB C 29.534 0.300 1 94 14 14 GLN CG C 33.825 0.300 1 95 14 14 GLN N N 120.575 0.300 1 96 14 14 GLN NE2 N 112.475 0.300 1 97 15 15 GLU H H 8.337 0.030 1 98 15 15 GLU HA H 4.252 0.030 1 99 15 15 GLU HB2 H 1.916 0.030 2 100 15 15 GLU HB3 H 2.014 0.030 2 101 15 15 GLU HG2 H 2.260 0.030 2 102 15 15 GLU HG3 H 2.218 0.030 2 103 15 15 GLU C C 176.002 0.300 1 104 15 15 GLU CA C 56.420 0.300 1 105 15 15 GLU CB C 30.584 0.300 1 106 15 15 GLU CG C 36.334 0.300 1 107 15 15 GLU N N 122.378 0.300 1 108 16 16 LYS H H 8.361 0.030 1 109 16 16 LYS HA H 4.573 0.030 1 110 16 16 LYS HB2 H 1.709 0.030 2 111 16 16 LYS HB3 H 1.810 0.030 2 112 16 16 LYS HG2 H 1.457 0.030 2 113 16 16 LYS HG3 H 1.418 0.030 2 114 16 16 LYS HD2 H 1.670 0.030 1 115 16 16 LYS HD3 H 1.670 0.030 1 116 16 16 LYS HE2 H 2.979 0.030 1 117 16 16 LYS HE3 H 2.979 0.030 1 118 16 16 LYS C C 174.228 0.300 1 119 16 16 LYS CA C 54.191 0.300 1 120 16 16 LYS CB C 32.521 0.300 1 121 16 16 LYS CG C 24.614 0.300 1 122 16 16 LYS CD C 29.027 0.300 1 123 16 16 LYS CE C 42.163 0.300 1 124 16 16 LYS N N 123.392 0.300 1 125 17 17 PRO HA H 4.377 0.030 1 126 17 17 PRO HB2 H 2.268 0.030 2 127 17 17 PRO HB3 H 1.885 0.030 2 128 17 17 PRO HG2 H 1.979 0.030 2 129 17 17 PRO HG3 H 2.031 0.030 2 130 17 17 PRO HD2 H 3.619 0.030 2 131 17 17 PRO HD3 H 3.795 0.030 2 132 17 17 PRO CA C 63.186 0.300 1 133 17 17 PRO CB C 32.070 0.300 1 134 17 17 PRO CG C 27.381 0.300 1 135 17 17 PRO CD C 50.630 0.300 1 136 18 18 ALA H H 8.351 0.030 1 137 18 18 ALA HA H 4.256 0.030 1 138 18 18 ALA HB H 1.360 0.030 1 139 18 18 ALA C C 177.431 0.300 1 140 18 18 ALA CA C 52.284 0.300 1 141 18 18 ALA CB C 19.328 0.300 1 142 18 18 ALA N N 124.336 0.300 1 143 19 19 LEU H H 8.240 0.030 1 144 19 19 LEU HA H 4.303 0.030 1 145 19 19 LEU HB2 H 1.562 0.030 2 146 19 19 LEU HB3 H 1.641 0.030 2 147 19 19 LEU HG H 1.589 0.030 1 148 19 19 LEU HD1 H 0.908 0.030 1 149 19 19 LEU HD2 H 0.857 0.030 1 150 19 19 LEU C C 176.627 0.300 1 151 19 19 LEU CA C 54.842 0.300 1 152 19 19 LEU CB C 42.419 0.300 1 153 19 19 LEU CG C 27.034 0.300 1 154 19 19 LEU CD1 C 24.795 0.300 2 155 19 19 LEU CD2 C 23.255 0.300 2 156 19 19 LEU N N 121.973 0.300 1 157 20 20 LEU H H 8.010 0.030 1 158 20 20 LEU HA H 4.293 0.030 1 159 20 20 LEU HB2 H 1.381 0.030 2 160 20 20 LEU HB3 H 1.514 0.030 2 161 20 20 LEU HG H 1.478 0.030 1 162 20 20 LEU HD1 H 0.882 0.030 1 163 20 20 LEU HD2 H 0.810 0.030 1 164 20 20 LEU C C 176.297 0.300 1 165 20 20 LEU CA C 54.868 0.300 1 166 20 20 LEU CB C 42.737 0.300 1 167 20 20 LEU CG C 27.059 0.300 1 168 20 20 LEU CD1 C 24.795 0.300 2 169 20 20 LEU CD2 C 23.385 0.300 2 170 20 20 LEU N N 122.594 0.300 1 171 21 21 PHE H H 8.079 0.030 1 172 21 21 PHE HA H 4.900 0.030 1 173 21 21 PHE HB2 H 2.933 0.030 2 174 21 21 PHE HB3 H 3.145 0.030 2 175 21 21 PHE HD1 H 7.274 0.030 1 176 21 21 PHE HD2 H 7.274 0.030 1 177 21 21 PHE HE1 H 7.329 0.030 1 178 21 21 PHE HE2 H 7.329 0.030 1 179 21 21 PHE HZ H 7.290 0.030 1 180 21 21 PHE CA C 55.382 0.300 1 181 21 21 PHE CB C 39.177 0.300 1 182 21 21 PHE CD1 C 132.195 0.300 1 183 21 21 PHE CD2 C 132.195 0.300 1 184 21 21 PHE CE1 C 131.234 0.300 1 185 21 21 PHE CE2 C 131.234 0.300 1 186 21 21 PHE CZ C 129.799 0.300 1 187 21 21 PHE N N 121.090 0.300 1 188 22 22 PRO HA H 4.388 0.030 1 189 22 22 PRO HB2 H 2.262 0.030 2 190 22 22 PRO HB3 H 1.941 0.030 2 191 22 22 PRO HG2 H 1.973 0.030 1 192 22 22 PRO HG3 H 1.973 0.030 1 193 22 22 PRO HD2 H 3.583 0.030 2 194 22 22 PRO HD3 H 3.730 0.030 2 195 22 22 PRO C C 177.493 0.300 1 196 22 22 PRO CA C 63.663 0.300 1 197 22 22 PRO CB C 31.865 0.300 1 198 22 22 PRO CG C 27.306 0.300 1 199 22 22 PRO CD C 50.689 0.300 1 200 23 23 GLY H H 8.286 0.030 1 201 23 23 GLY HA2 H 3.967 0.030 2 202 23 23 GLY HA3 H 3.912 0.030 2 203 23 23 GLY C C 174.293 0.300 1 204 23 23 GLY CA C 45.450 0.300 1 205 23 23 GLY N N 109.049 0.300 1 206 24 24 MET H H 8.026 0.030 1 207 24 24 MET HA H 4.442 0.030 1 208 24 24 MET HB2 H 2.072 0.030 2 209 24 24 MET HB3 H 1.987 0.030 2 210 24 24 MET HG2 H 2.526 0.030 2 211 24 24 MET HG3 H 2.585 0.030 2 212 24 24 MET HE H 2.095 0.030 1 213 24 24 MET C C 175.978 0.300 1 214 24 24 MET CA C 55.650 0.300 1 215 24 24 MET CB C 33.178 0.300 1 216 24 24 MET CG C 32.076 0.300 1 217 24 24 MET CE C 17.083 0.300 1 218 24 24 MET N N 119.778 0.300 1 219 25 25 ALA H H 8.356 0.030 1 220 25 25 ALA HA H 4.253 0.030 1 221 25 25 ALA HB H 1.360 0.030 1 222 25 25 ALA C C 177.429 0.300 1 223 25 25 ALA CA C 52.443 0.300 1 224 25 25 ALA CB C 19.139 0.300 1 225 25 25 ALA N N 125.304 0.300 1 226 26 26 ALA H H 8.292 0.030 1 227 26 26 ALA HA H 4.314 0.030 1 228 26 26 ALA HB H 1.396 0.030 1 229 26 26 ALA C C 177.793 0.300 1 230 26 26 ALA CA C 52.567 0.300 1 231 26 26 ALA CB C 19.178 0.300 1 232 26 26 ALA N N 123.234 0.300 1 233 27 27 SER H H 8.261 0.030 1 234 27 27 SER HA H 4.477 0.030 1 235 27 27 SER HB2 H 3.921 0.030 2 236 27 27 SER HB3 H 3.860 0.030 2 237 27 27 SER C C 174.856 0.300 1 238 27 27 SER CA C 58.340 0.300 1 239 27 27 SER CB C 63.840 0.300 1 240 27 27 SER N N 114.574 0.300 1 241 28 28 THR H H 8.152 0.030 1 242 28 28 THR HA H 4.368 0.030 1 243 28 28 THR HB H 4.253 0.030 1 244 28 28 THR HG2 H 1.192 0.030 1 245 28 28 THR C C 174.525 0.300 1 246 28 28 THR CA C 62.000 0.300 1 247 28 28 THR CB C 69.782 0.300 1 248 28 28 THR CG2 C 21.746 0.300 1 249 28 28 THR N N 115.841 0.300 1 250 29 29 VAL H H 8.059 0.030 1 251 29 29 VAL HA H 4.096 0.030 1 252 29 29 VAL HB H 2.040 0.030 1 253 29 29 VAL HG1 H 0.932 0.030 1 254 29 29 VAL HG2 H 0.840 0.030 1 255 29 29 VAL C C 175.912 0.300 1 256 29 29 VAL CA C 62.466 0.300 1 257 29 29 VAL CB C 32.741 0.300 1 258 29 29 VAL CG1 C 20.870 0.300 2 259 29 29 VAL CG2 C 21.396 0.300 2 260 29 29 VAL N N 122.256 0.300 1 261 30 30 GLN H H 8.434 0.030 1 262 30 30 GLN HA H 4.374 0.030 1 263 30 30 GLN HB2 H 1.963 0.030 1 264 30 30 GLN HB3 H 1.963 0.030 1 265 30 30 GLN HG2 H 2.342 0.030 1 266 30 30 GLN HG3 H 2.342 0.030 1 267 30 30 GLN HE21 H 7.513 0.030 2 268 30 30 GLN HE22 H 6.905 0.030 2 269 30 30 GLN C C 175.800 0.300 1 270 30 30 GLN CA C 55.745 0.300 1 271 30 30 GLN CB C 29.522 0.300 1 272 30 30 GLN CG C 33.743 0.300 1 273 30 30 GLN N N 124.591 0.300 1 274 30 30 GLN NE2 N 112.439 0.300 1 275 31 31 VAL H H 8.222 0.030 1 276 31 31 VAL HA H 4.085 0.030 1 277 31 31 VAL HB H 2.046 0.030 1 278 31 31 VAL HG1 H 0.923 0.030 1 279 31 31 VAL HG2 H 0.923 0.030 1 280 31 31 VAL C C 175.782 0.300 1 281 31 31 VAL CA C 62.252 0.300 1 282 31 31 VAL CB C 32.835 0.300 1 283 31 31 VAL CG1 C 20.870 0.300 1 284 31 31 VAL CG2 C 20.870 0.300 1 285 31 31 VAL N N 122.117 0.300 1 286 32 32 ALA H H 8.435 0.030 1 287 32 32 ALA HA H 4.312 0.030 1 288 32 32 ALA HB H 1.395 0.030 1 289 32 32 ALA C C 178.076 0.300 1 290 32 32 ALA CA C 52.670 0.300 1 291 32 32 ALA CB C 19.135 0.300 1 292 32 32 ALA N N 127.782 0.300 1 293 33 33 GLY H H 8.384 0.030 1 294 33 33 GLY HA2 H 3.949 0.030 1 295 33 33 GLY HA3 H 3.949 0.030 1 296 33 33 GLY C C 173.935 0.300 1 297 33 33 GLY CA C 45.207 0.300 1 298 33 33 GLY N N 108.412 0.300 1 299 34 34 ARG H H 8.101 0.030 1 300 34 34 ARG HA H 4.330 0.030 1 301 34 34 ARG HB2 H 1.742 0.030 2 302 34 34 ARG HB3 H 1.844 0.030 2 303 34 34 ARG HG2 H 1.576 0.030 1 304 34 34 ARG HG3 H 1.576 0.030 1 305 34 34 ARG HD2 H 3.142 0.030 1 306 34 34 ARG HD3 H 3.142 0.030 1 307 34 34 ARG C C 176.300 0.300 1 308 34 34 ARG CA C 56.089 0.300 1 309 34 34 ARG CB C 31.162 0.300 1 310 34 34 ARG CG C 27.041 0.300 1 311 34 34 ARG CD C 43.398 0.300 1 312 34 34 ARG N N 120.739 0.300 1 313 35 35 LYS H H 8.453 0.030 1 314 35 35 LYS HA H 4.310 0.030 1 315 35 35 LYS HB2 H 1.685 0.030 1 316 35 35 LYS HB3 H 1.685 0.030 1 317 35 35 LYS HG2 H 1.384 0.030 1 318 35 35 LYS HG3 H 1.384 0.030 1 319 35 35 LYS HD2 H 1.675 0.030 1 320 35 35 LYS HD3 H 1.675 0.030 1 321 35 35 LYS HE2 H 2.975 0.030 1 322 35 35 LYS HE3 H 2.975 0.030 1 323 35 35 LYS C C 175.779 0.300 1 324 35 35 LYS CA C 56.216 0.300 1 325 35 35 LYS CB C 33.004 0.300 1 326 35 35 LYS CG C 24.840 0.300 1 327 35 35 LYS CD C 29.222 0.300 1 328 35 35 LYS CE C 42.160 0.300 1 329 35 35 LYS N N 122.972 0.300 1 330 36 36 ASP H H 8.278 0.030 1 331 36 36 ASP HA H 4.551 0.030 1 332 36 36 ASP HB2 H 2.522 0.030 2 333 36 36 ASP HB3 H 2.579 0.030 2 334 36 36 ASP C C 175.113 0.300 1 335 36 36 ASP CA C 54.061 0.300 1 336 36 36 ASP CB C 41.220 0.300 1 337 36 36 ASP N N 120.606 0.300 1 338 37 37 TYR H H 8.013 0.030 1 339 37 37 TYR HA H 4.758 0.030 1 340 37 37 TYR HB2 H 3.038 0.030 2 341 37 37 TYR HB3 H 2.828 0.030 2 342 37 37 TYR HD1 H 7.128 0.030 1 343 37 37 TYR HD2 H 7.128 0.030 1 344 37 37 TYR HE1 H 6.811 0.030 1 345 37 37 TYR HE2 H 6.811 0.030 1 346 37 37 TYR C C 173.792 0.300 1 347 37 37 TYR CA C 55.965 0.300 1 348 37 37 TYR CB C 38.447 0.300 1 349 37 37 TYR CD1 C 133.302 0.300 1 350 37 37 TYR CD2 C 133.302 0.300 1 351 37 37 TYR CE1 C 118.136 0.300 1 352 37 37 TYR CE2 C 118.136 0.300 1 353 37 37 TYR N N 120.890 0.300 1 354 38 38 PRO HA H 4.385 0.030 1 355 38 38 PRO HB2 H 2.228 0.030 2 356 38 38 PRO HB3 H 1.893 0.030 2 357 38 38 PRO HG2 H 1.953 0.030 1 358 38 38 PRO HG3 H 1.953 0.030 1 359 38 38 PRO HD2 H 3.488 0.030 2 360 38 38 PRO HD3 H 3.684 0.030 2 361 38 38 PRO C C 176.094 0.300 1 362 38 38 PRO CA C 62.987 0.300 1 363 38 38 PRO CB C 31.979 0.300 1 364 38 38 PRO CG C 27.306 0.300 1 365 38 38 PRO CD C 50.566 0.300 1 366 39 39 ALA H H 8.195 0.030 1 367 39 39 ALA HA H 4.308 0.030 1 368 39 39 ALA HB H 1.346 0.030 1 369 39 39 ALA C C 177.307 0.300 1 370 39 39 ALA CA C 52.227 0.300 1 371 39 39 ALA CB C 19.302 0.300 1 372 39 39 ALA N N 123.914 0.300 1 373 40 40 LEU H H 8.135 0.030 1 374 40 40 LEU HA H 4.351 0.030 1 375 40 40 LEU HB2 H 1.582 0.030 2 376 40 40 LEU HB3 H 1.378 0.030 2 377 40 40 LEU HG H 1.608 0.030 1 378 40 40 LEU HD1 H 0.851 0.030 1 379 40 40 LEU HD2 H 0.882 0.030 1 380 40 40 LEU C C 177.155 0.300 1 381 40 40 LEU CA C 54.567 0.300 1 382 40 40 LEU CB C 42.996 0.300 1 383 40 40 LEU CG C 27.011 0.300 1 384 40 40 LEU CD1 C 25.527 0.300 2 385 40 40 LEU CD2 C 23.923 0.300 2 386 40 40 LEU N N 121.213 0.300 1 387 41 41 LEU H H 8.775 0.030 1 388 41 41 LEU HA H 4.494 0.030 1 389 41 41 LEU HB2 H 1.520 0.030 2 390 41 41 LEU HB3 H 1.677 0.030 2 391 41 41 LEU HG H 1.732 0.030 1 392 41 41 LEU HD1 H 0.923 0.030 1 393 41 41 LEU HD2 H 0.884 0.030 1 394 41 41 LEU C C 175.644 0.300 1 395 41 41 LEU CA C 53.228 0.300 1 396 41 41 LEU CB C 41.794 0.300 1 397 41 41 LEU CG C 26.911 0.300 1 398 41 41 LEU CD1 C 25.302 0.300 2 399 41 41 LEU CD2 C 23.923 0.300 2 400 41 41 LEU N N 125.425 0.300 1 401 42 42 PRO HA H 4.362 0.030 1 402 42 42 PRO HB2 H 2.271 0.030 2 403 42 42 PRO HB3 H 1.836 0.030 2 404 42 42 PRO HG2 H 2.005 0.030 1 405 42 42 PRO HG3 H 2.005 0.030 1 406 42 42 PRO HD2 H 3.584 0.030 2 407 42 42 PRO HD3 H 3.861 0.030 2 408 42 42 PRO C C 177.006 0.300 1 409 42 42 PRO CA C 62.690 0.300 1 410 42 42 PRO CB C 32.063 0.300 1 411 42 42 PRO CG C 27.224 0.300 1 412 42 42 PRO CD C 50.659 0.300 1 413 43 43 LEU H H 8.603 0.030 1 414 43 43 LEU HA H 4.303 0.030 1 415 43 43 LEU HB2 H 1.493 0.030 1 416 43 43 LEU HB3 H 1.493 0.030 1 417 43 43 LEU HG H 1.562 0.030 1 418 43 43 LEU HD1 H 0.848 0.030 1 419 43 43 LEU HD2 H 0.871 0.030 1 420 43 43 LEU C C 176.178 0.300 1 421 43 43 LEU CA C 54.504 0.300 1 422 43 43 LEU CB C 42.910 0.300 1 423 43 43 LEU CG C 26.681 0.300 1 424 43 43 LEU CD1 C 24.171 0.300 2 425 43 43 LEU CD2 C 25.548 0.300 2 426 43 43 LEU N N 123.016 0.300 1 427 44 44 ASN H H 9.221 0.030 1 428 44 44 ASN HA H 4.756 0.030 1 429 44 44 ASN HB2 H 2.734 0.030 2 430 44 44 ASN HB3 H 2.864 0.030 2 431 44 44 ASN HD21 H 7.644 0.030 2 432 44 44 ASN HD22 H 6.996 0.030 2 433 44 44 ASN C C 176.519 0.300 1 434 44 44 ASN CA C 52.273 0.300 1 435 44 44 ASN CB C 38.852 0.300 1 436 44 44 ASN N N 124.571 0.300 1 437 44 44 ASN ND2 N 113.167 0.300 1 438 45 45 GLU H H 9.059 0.030 1 439 45 45 GLU HA H 3.833 0.030 1 440 45 45 GLU HB2 H 2.265 0.030 2 441 45 45 GLU HB3 H 1.949 0.030 2 442 45 45 GLU HG2 H 2.369 0.030 2 443 45 45 GLU HG3 H 2.471 0.030 2 444 45 45 GLU C C 178.603 0.300 1 445 45 45 GLU CA C 59.427 0.300 1 446 45 45 GLU CB C 29.278 0.300 1 447 45 45 GLU CG C 35.961 0.300 1 448 45 45 GLU N N 125.720 0.300 1 449 46 46 SER H H 8.383 0.030 1 450 46 46 SER HA H 4.367 0.030 1 451 46 46 SER HB2 H 3.983 0.030 1 452 46 46 SER HB3 H 3.983 0.030 1 453 46 46 SER C C 175.286 0.300 1 454 46 46 SER CA C 60.460 0.300 1 455 46 46 SER CB C 62.792 0.300 1 456 46 46 SER N N 112.499 0.300 1 457 47 47 GLU H H 7.845 0.030 1 458 47 47 GLU HA H 4.355 0.030 1 459 47 47 GLU HB2 H 2.026 0.030 2 460 47 47 GLU HB3 H 2.178 0.030 2 461 47 47 GLU HG2 H 2.220 0.030 1 462 47 47 GLU HG3 H 2.220 0.030 1 463 47 47 GLU C C 173.672 0.300 1 464 47 47 GLU CA C 55.651 0.300 1 465 47 47 GLU CB C 29.892 0.300 1 466 47 47 GLU CG C 36.796 0.300 1 467 47 47 GLU N N 120.077 0.300 1 468 48 48 LEU H H 7.296 0.030 1 469 48 48 LEU HA H 5.598 0.030 1 470 48 48 LEU HB2 H 1.952 0.030 2 471 48 48 LEU HB3 H 1.224 0.030 2 472 48 48 LEU HG H 2.037 0.030 1 473 48 48 LEU HD1 H 0.847 0.030 1 474 48 48 LEU HD2 H 0.894 0.030 1 475 48 48 LEU C C 177.339 0.300 1 476 48 48 LEU CA C 52.997 0.300 1 477 48 48 LEU CB C 43.774 0.300 1 478 48 48 LEU CG C 26.153 0.300 1 479 48 48 LEU CD1 C 25.190 0.300 2 480 48 48 LEU CD2 C 24.009 0.300 2 481 48 48 LEU N N 116.980 0.300 1 482 49 49 GLU H H 8.941 0.030 1 483 49 49 GLU HA H 4.570 0.030 1 484 49 49 GLU HB2 H 1.734 0.030 2 485 49 49 GLU HB3 H 1.857 0.030 2 486 49 49 GLU HG2 H 2.002 0.030 2 487 49 49 GLU HG3 H 2.144 0.030 2 488 49 49 GLU C C 174.598 0.300 1 489 49 49 GLU CA C 55.457 0.300 1 490 49 49 GLU CB C 33.213 0.300 1 491 49 49 GLU CG C 36.468 0.300 1 492 49 49 GLU N N 121.457 0.300 1 493 50 50 GLU H H 8.956 0.030 1 494 50 50 GLU HA H 5.147 0.030 1 495 50 50 GLU HB2 H 2.007 0.030 2 496 50 50 GLU HB3 H 1.520 0.030 2 497 50 50 GLU HG2 H 1.831 0.030 2 498 50 50 GLU HG3 H 2.002 0.030 2 499 50 50 GLU C C 174.554 0.300 1 500 50 50 GLU CA C 55.065 0.300 1 501 50 50 GLU CB C 33.873 0.300 1 502 50 50 GLU CG C 36.991 0.300 1 503 50 50 GLU N N 130.253 0.300 1 504 51 51 GLN H H 8.997 0.030 1 505 51 51 GLN HA H 4.540 0.030 1 506 51 51 GLN HB2 H 1.998 0.030 2 507 51 51 GLN HB3 H 1.794 0.030 2 508 51 51 GLN HG2 H 2.212 0.030 1 509 51 51 GLN HG3 H 2.212 0.030 1 510 51 51 GLN HE21 H 7.412 0.030 2 511 51 51 GLN HE22 H 6.742 0.030 2 512 51 51 GLN C C 173.405 0.300 1 513 51 51 GLN CA C 54.338 0.300 1 514 51 51 GLN CB C 32.620 0.300 1 515 51 51 GLN CG C 33.726 0.300 1 516 51 51 GLN N N 124.969 0.300 1 517 51 51 GLN NE2 N 111.448 0.300 1 518 52 52 PHE H H 8.397 0.030 1 519 52 52 PHE HA H 5.267 0.030 1 520 52 52 PHE HB2 H 2.905 0.030 2 521 52 52 PHE HB3 H 3.206 0.030 2 522 52 52 PHE HD1 H 7.136 0.030 1 523 52 52 PHE HD2 H 7.136 0.030 1 524 52 52 PHE HE1 H 7.173 0.030 1 525 52 52 PHE HE2 H 7.173 0.030 1 526 52 52 PHE HZ H 7.151 0.030 1 527 52 52 PHE CA C 55.844 0.300 1 528 52 52 PHE CB C 39.779 0.300 1 529 52 52 PHE CD1 C 131.819 0.300 1 530 52 52 PHE CD2 C 131.819 0.300 1 531 52 52 PHE CE1 C 130.774 0.300 1 532 52 52 PHE CE2 C 130.774 0.300 1 533 52 52 PHE CZ C 131.923 0.300 1 534 52 52 PHE N N 120.739 0.300 1 535 53 53 VAL H H 8.912 0.030 1 536 53 53 VAL HA H 4.408 0.030 1 537 53 53 VAL HB H 2.131 0.030 1 538 53 53 VAL HG1 H 0.812 0.030 1 539 53 53 VAL HG2 H 0.873 0.030 1 540 53 53 VAL C C 175.325 0.300 1 541 53 53 VAL CA C 60.919 0.300 1 542 53 53 VAL CB C 34.403 0.300 1 543 53 53 VAL CG1 C 20.706 0.300 2 544 53 53 VAL CG2 C 21.396 0.300 2 545 53 53 VAL N N 120.904 0.300 1 546 54 54 LYS H H 8.446 0.030 1 547 54 54 LYS HA H 4.465 0.030 1 548 54 54 LYS HB2 H 1.750 0.030 2 549 54 54 LYS HB3 H 1.814 0.030 2 550 54 54 LYS HG2 H 1.404 0.030 2 551 54 54 LYS HG3 H 1.481 0.030 2 552 54 54 LYS HD2 H 1.674 0.030 1 553 54 54 LYS HD3 H 1.674 0.030 1 554 54 54 LYS HE2 H 2.975 0.030 1 555 54 54 LYS HE3 H 2.975 0.030 1 556 54 54 LYS C C 177.190 0.300 1 557 54 54 LYS CA C 56.635 0.300 1 558 54 54 LYS CB C 33.197 0.300 1 559 54 54 LYS CG C 24.970 0.300 1 560 54 54 LYS CD C 29.039 0.300 1 561 54 54 LYS CE C 42.160 0.300 1 562 54 54 LYS N N 124.177 0.300 1 563 55 55 GLY H H 8.396 0.030 1 564 55 55 GLY HA2 H 3.791 0.030 2 565 55 55 GLY HA3 H 3.949 0.030 2 566 55 55 GLY C C 173.157 0.300 1 567 55 55 GLY CA C 45.029 0.300 1 568 55 55 GLY N N 109.597 0.300 1 569 56 56 HIS HA H 4.753 0.030 1 570 56 56 HIS HB2 H 3.001 0.030 2 571 56 56 HIS HB3 H 3.105 0.030 2 572 56 56 HIS HD2 H 6.954 0.030 1 573 56 56 HIS C C 175.498 0.300 1 574 56 56 HIS CA C 56.004 0.300 1 575 56 56 HIS CB C 31.450 0.300 1 576 56 56 HIS CD2 C 120.434 0.300 1 577 57 57 GLY H H 8.348 0.030 1 578 57 57 GLY HA2 H 4.100 0.030 2 579 57 57 GLY HA3 H 4.030 0.030 2 580 57 57 GLY C C 171.989 0.300 1 581 57 57 GLY CA C 44.574 0.300 1 582 57 57 GLY N N 110.256 0.300 1 583 58 58 PRO HA H 4.436 0.030 1 584 58 58 PRO HB2 H 2.276 0.030 2 585 58 58 PRO HB3 H 1.948 0.030 2 586 58 58 PRO HG2 H 1.982 0.030 1 587 58 58 PRO HG3 H 1.982 0.030 1 588 58 58 PRO HD2 H 3.588 0.030 1 589 58 58 PRO HD3 H 3.588 0.030 1 590 58 58 PRO CA C 63.677 0.300 1 591 58 58 PRO CB C 32.158 0.300 1 592 58 58 PRO CG C 27.251 0.300 1 593 58 58 PRO CD C 50.111 0.300 1 594 59 59 GLY H H 8.618 0.030 1 595 59 59 GLY HA2 H 3.968 0.030 1 596 59 59 GLY HA3 H 3.968 0.030 1 597 59 59 GLY C C 174.919 0.300 1 598 59 59 GLY CA C 45.424 0.300 1 599 59 59 GLY N N 109.602 0.300 1 600 60 60 GLY H H 8.232 0.030 1 601 60 60 GLY HA2 H 3.900 0.030 2 602 60 60 GLY HA3 H 3.988 0.030 2 603 60 60 GLY C C 174.262 0.300 1 604 60 60 GLY CA C 45.371 0.300 1 605 60 60 GLY N N 108.515 0.300 1 606 61 61 GLN HA H 4.299 0.030 1 607 61 61 GLN HB2 H 2.107 0.030 1 608 61 61 GLN HB3 H 2.107 0.030 1 609 61 61 GLN HG2 H 2.345 0.030 1 610 61 61 GLN HG3 H 2.345 0.030 1 611 61 61 GLN C C 175.851 0.300 1 612 61 61 GLN CA C 55.875 0.300 1 613 61 61 GLN CB C 29.332 0.300 1 614 61 61 GLN CG C 33.752 0.300 1 615 62 62 ALA H H 8.423 0.030 1 616 62 62 ALA HA H 4.331 0.030 1 617 62 62 ALA HB H 1.371 0.030 1 618 62 62 ALA C C 177.919 0.300 1 619 62 62 ALA CA C 52.693 0.300 1 620 62 62 ALA CB C 19.174 0.300 1 621 62 62 ALA N N 125.038 0.300 1 622 63 63 THR H H 7.986 0.030 1 623 63 63 THR HA H 4.339 0.030 1 624 63 63 THR HB H 4.244 0.030 1 625 63 63 THR HG2 H 1.194 0.030 1 626 63 63 THR C C 174.409 0.300 1 627 63 63 THR CA C 61.892 0.300 1 628 63 63 THR CB C 69.926 0.300 1 629 63 63 THR CG2 C 21.762 0.300 1 630 63 63 THR N N 111.508 0.300 1 631 64 64 ASN HA H 4.228 0.030 1 632 64 64 ASN HB2 H 2.999 0.030 1 633 64 64 ASN HB3 H 2.999 0.030 1 634 64 64 ASN CA C 56.725 0.300 1 635 64 64 ASN CB C 42.128 0.300 1 636 65 65 LYS H H 8.056 0.030 1 637 65 65 LYS HA H 4.349 0.030 1 638 65 65 LYS HB2 H 1.814 0.030 2 639 65 65 LYS HB3 H 1.750 0.030 2 640 65 65 LYS HG2 H 1.456 0.030 2 641 65 65 LYS HG3 H 1.401 0.030 2 642 65 65 LYS HD2 H 1.673 0.030 1 643 65 65 LYS HD3 H 1.673 0.030 1 644 65 65 LYS HE2 H 2.981 0.030 1 645 65 65 LYS HE3 H 2.981 0.030 1 646 65 65 LYS C C 176.690 0.300 1 647 65 65 LYS CA C 56.793 0.300 1 648 65 65 LYS CB C 33.115 0.300 1 649 65 65 LYS CG C 24.748 0.300 1 650 65 65 LYS CD C 29.209 0.300 1 651 65 65 LYS CE C 42.077 0.300 1 652 65 65 LYS N N 121.832 0.300 1 653 66 66 THR H H 7.997 0.030 1 654 66 66 THR HA H 4.351 0.030 1 655 66 66 THR HB H 4.204 0.030 1 656 66 66 THR HG2 H 1.135 0.030 1 657 66 66 THR C C 174.516 0.300 1 658 66 66 THR CA C 61.513 0.300 1 659 66 66 THR CB C 70.057 0.300 1 660 66 66 THR CG2 C 21.793 0.300 1 661 66 66 THR N N 113.007 0.300 1 662 67 67 SER HA H 4.514 0.030 1 663 67 67 SER HB2 H 3.895 0.030 1 664 67 67 SER HB3 H 3.895 0.030 1 665 67 67 SER CA C 58.660 0.300 1 666 67 67 SER CB C 63.906 0.300 1 667 68 68 ASN H H 8.009 0.030 1 668 68 68 ASN HA H 4.764 0.030 1 669 68 68 ASN HB2 H 2.617 0.030 2 670 68 68 ASN HB3 H 2.703 0.030 2 671 68 68 ASN HD21 H 7.414 0.030 2 672 68 68 ASN HD22 H 6.903 0.030 2 673 68 68 ASN C C 173.770 0.300 1 674 68 68 ASN CA C 52.972 0.300 1 675 68 68 ASN CB C 38.540 0.300 1 676 68 68 ASN ND2 N 112.731 0.300 1 677 69 69 CYS H H 8.189 0.030 1 678 69 69 CYS HA H 4.565 0.030 1 679 69 69 CYS HB2 H 2.889 0.030 2 680 69 69 CYS HB3 H 2.362 0.030 2 681 69 69 CYS C C 173.518 0.300 1 682 69 69 CYS CA C 58.439 0.300 1 683 69 69 CYS CB C 27.349 0.300 1 684 69 69 CYS N N 120.245 0.300 1 685 70 70 VAL H H 8.528 0.030 1 686 70 70 VAL HA H 4.572 0.030 1 687 70 70 VAL HB H 1.879 0.030 1 688 70 70 VAL HG1 H 0.979 0.030 1 689 70 70 VAL HG2 H 1.106 0.030 1 690 70 70 VAL C C 174.200 0.300 1 691 70 70 VAL CA C 61.603 0.300 1 692 70 70 VAL CB C 34.692 0.300 1 693 70 70 VAL CG1 C 21.628 0.300 2 694 70 70 VAL CG2 C 23.135 0.300 2 695 70 70 VAL N N 129.250 0.300 1 696 71 71 VAL H H 8.862 0.030 1 697 71 71 VAL HA H 4.613 0.030 1 698 71 71 VAL HB H 1.899 0.030 1 699 71 71 VAL HG1 H 0.760 0.030 1 700 71 71 VAL HG2 H 0.824 0.030 1 701 71 71 VAL C C 174.148 0.300 1 702 71 71 VAL CA C 61.844 0.300 1 703 71 71 VAL CB C 33.090 0.300 1 704 71 71 VAL CG1 C 21.424 0.300 2 705 71 71 VAL CG2 C 21.347 0.300 2 706 71 71 VAL N N 128.307 0.300 1 707 72 72 LEU H H 9.277 0.030 1 708 72 72 LEU HA H 5.142 0.030 1 709 72 72 LEU HB2 H 1.809 0.030 2 710 72 72 LEU HB3 H 1.036 0.030 2 711 72 72 LEU HG H 1.366 0.030 1 712 72 72 LEU HD1 H 0.877 0.030 1 713 72 72 LEU HD2 H 0.753 0.030 1 714 72 72 LEU C C 172.748 0.300 1 715 72 72 LEU CA C 53.248 0.300 1 716 72 72 LEU CB C 47.006 0.300 1 717 72 72 LEU CG C 26.758 0.300 1 718 72 72 LEU CD1 C 24.113 0.300 2 719 72 72 LEU CD2 C 27.776 0.300 2 720 72 72 LEU N N 130.212 0.300 1 721 73 73 LYS H H 8.942 0.030 1 722 73 73 LYS HA H 5.357 0.030 1 723 73 73 LYS HB2 H 1.804 0.030 2 724 73 73 LYS HB3 H 1.598 0.030 2 725 73 73 LYS HG2 H 1.026 0.030 2 726 73 73 LYS HG3 H 0.728 0.030 2 727 73 73 LYS HD2 H 1.476 0.030 2 728 73 73 LYS HD3 H 1.581 0.030 2 729 73 73 LYS HE2 H 2.728 0.030 1 730 73 73 LYS HE3 H 2.728 0.030 1 731 73 73 LYS C C 175.357 0.300 1 732 73 73 LYS CA C 53.504 0.300 1 733 73 73 LYS CB C 37.261 0.300 1 734 73 73 LYS CG C 24.735 0.300 1 735 73 73 LYS CD C 29.570 0.300 1 736 73 73 LYS CE C 42.084 0.300 1 737 73 73 LYS N N 126.425 0.300 1 738 74 74 HIS H H 9.041 0.030 1 739 74 74 HIS HA H 4.992 0.030 1 740 74 74 HIS HB2 H 3.062 0.030 2 741 74 74 HIS HB3 H 2.713 0.030 2 742 74 74 HIS HD2 H 7.043 0.030 1 743 74 74 HIS HE1 H 8.026 0.030 1 744 74 74 HIS C C 173.997 0.300 1 745 74 74 HIS CA C 55.980 0.300 1 746 74 74 HIS CB C 31.303 0.300 1 747 74 74 HIS CD2 C 118.517 0.300 1 748 74 74 HIS CE1 C 137.667 0.300 1 749 74 74 HIS N N 126.889 0.300 1 750 75 75 VAL H H 8.818 0.030 1 751 75 75 VAL HA H 3.334 0.030 1 752 75 75 VAL HB H 2.019 0.030 1 753 75 75 VAL HG1 H 0.840 0.030 1 754 75 75 VAL HG2 H 0.804 0.030 1 755 75 75 VAL C C 175.281 0.300 1 756 75 75 VAL CA C 68.393 0.300 1 757 75 75 VAL CB C 29.312 0.300 1 758 75 75 VAL CG1 C 23.226 0.300 2 759 75 75 VAL CG2 C 21.014 0.300 2 760 75 75 VAL N N 127.998 0.300 1 761 76 76 PRO HA H 4.201 0.030 1 762 76 76 PRO HB2 H 2.458 0.030 2 763 76 76 PRO HB3 H 1.749 0.030 2 764 76 76 PRO HG2 H 1.888 0.030 2 765 76 76 PRO HG3 H 1.763 0.030 2 766 76 76 PRO HD2 H 3.595 0.030 1 767 76 76 PRO HD3 H 3.595 0.030 1 768 76 76 PRO C C 177.485 0.300 1 769 76 76 PRO CA C 66.147 0.300 1 770 76 76 PRO CB C 31.313 0.300 1 771 76 76 PRO CG C 27.835 0.300 1 772 76 76 PRO CD C 49.420 0.300 1 773 77 77 SER H H 6.955 0.030 1 774 77 77 SER HA H 4.038 0.030 1 775 77 77 SER HB2 H 3.215 0.030 2 776 77 77 SER HB3 H 2.626 0.030 2 777 77 77 SER C C 176.047 0.300 1 778 77 77 SER CA C 59.269 0.300 1 779 77 77 SER CB C 63.217 0.300 1 780 77 77 SER N N 107.858 0.300 1 781 78 78 GLY H H 8.395 0.030 1 782 78 78 GLY HA2 H 4.132 0.030 2 783 78 78 GLY HA3 H 3.409 0.030 2 784 78 78 GLY C C 173.559 0.300 1 785 78 78 GLY CA C 45.508 0.300 1 786 78 78 GLY N N 113.601 0.300 1 787 79 79 ILE H H 7.805 0.030 1 788 79 79 ILE HA H 3.655 0.030 1 789 79 79 ILE HB H 1.429 0.030 1 790 79 79 ILE HG12 H 1.204 0.030 2 791 79 79 ILE HG13 H 0.796 0.030 2 792 79 79 ILE HG2 H 0.714 0.030 1 793 79 79 ILE HD1 H 0.548 0.030 1 794 79 79 ILE C C 173.938 0.300 1 795 79 79 ILE CA C 63.424 0.300 1 796 79 79 ILE CB C 38.551 0.300 1 797 79 79 ILE CG1 C 28.723 0.300 1 798 79 79 ILE CG2 C 17.998 0.300 1 799 79 79 ILE CD1 C 13.609 0.300 1 800 79 79 ILE N N 122.977 0.300 1 801 80 80 VAL H H 8.081 0.030 1 802 80 80 VAL HA H 4.939 0.030 1 803 80 80 VAL HB H 1.767 0.030 1 804 80 80 VAL HG1 H 0.742 0.030 1 805 80 80 VAL HG2 H 0.841 0.030 1 806 80 80 VAL C C 176.015 0.300 1 807 80 80 VAL CA C 60.457 0.300 1 808 80 80 VAL CB C 34.971 0.300 1 809 80 80 VAL CG1 C 21.499 0.300 2 810 80 80 VAL CG2 C 21.448 0.300 2 811 80 80 VAL N N 126.135 0.300 1 812 81 81 VAL H H 9.185 0.030 1 813 81 81 VAL HA H 4.470 0.030 1 814 81 81 VAL HB H 1.974 0.030 1 815 81 81 VAL HG1 H 0.923 0.030 1 816 81 81 VAL HG2 H 0.742 0.030 1 817 81 81 VAL C C 173.046 0.300 1 818 81 81 VAL CA C 60.314 0.300 1 819 81 81 VAL CB C 35.757 0.300 1 820 81 81 VAL CG1 C 21.396 0.300 2 821 81 81 VAL CG2 C 21.396 0.300 2 822 81 81 VAL N N 125.034 0.300 1 823 82 82 LYS H H 8.430 0.030 1 824 82 82 LYS HA H 5.418 0.030 1 825 82 82 LYS HB2 H 1.582 0.030 2 826 82 82 LYS HB3 H 1.663 0.030 2 827 82 82 LYS HG2 H 1.315 0.030 2 828 82 82 LYS HG3 H 1.211 0.030 2 829 82 82 LYS HD2 H 1.610 0.030 1 830 82 82 LYS HD3 H 1.610 0.030 1 831 82 82 LYS HE2 H 2.842 0.030 1 832 82 82 LYS HE3 H 2.842 0.030 1 833 82 82 LYS C C 176.107 0.300 1 834 82 82 LYS CA C 54.245 0.300 1 835 82 82 LYS CB C 34.849 0.300 1 836 82 82 LYS CG C 25.558 0.300 1 837 82 82 LYS CD C 29.631 0.300 1 838 82 82 LYS CE C 42.081 0.300 1 839 82 82 LYS N N 123.758 0.300 1 840 83 83 CYS H H 9.503 0.030 1 841 83 83 CYS HA H 4.799 0.030 1 842 83 83 CYS HB2 H 2.732 0.030 1 843 83 83 CYS HB3 H 2.732 0.030 1 844 83 83 CYS CB C 30.357 0.300 1 845 83 83 CYS N N 123.190 0.300 1 846 84 84 HIS HA H 5.214 0.030 1 847 84 84 HIS HB2 H 3.243 0.030 2 848 84 84 HIS HB3 H 2.948 0.030 2 849 84 84 HIS HD2 H 6.711 0.030 1 850 84 84 HIS C C 174.685 0.300 1 851 84 84 HIS CA C 53.765 0.300 1 852 84 84 HIS CB C 30.706 0.300 1 853 84 84 HIS CD2 C 121.353 0.300 1 854 85 85 GLN H H 7.391 0.030 1 855 85 85 GLN HA H 3.960 0.030 1 856 85 85 GLN HB2 H 2.101 0.030 2 857 85 85 GLN HB3 H 1.837 0.030 2 858 85 85 GLN HG2 H 2.345 0.030 2 859 85 85 GLN HG3 H 2.450 0.030 2 860 85 85 GLN HE21 H 7.594 0.030 2 861 85 85 GLN HE22 H 6.833 0.030 2 862 85 85 GLN C C 176.076 0.300 1 863 85 85 GLN CA C 59.682 0.300 1 864 85 85 GLN CB C 30.473 0.300 1 865 85 85 GLN CG C 34.073 0.300 1 866 85 85 GLN N N 120.785 0.300 1 867 85 85 GLN NE2 N 111.884 0.300 1 868 86 86 THR H H 8.815 0.030 1 869 86 86 THR HA H 5.026 0.030 1 870 86 86 THR HB H 4.450 0.030 1 871 86 86 THR HG2 H 1.141 0.030 1 872 86 86 THR C C 175.000 0.300 1 873 86 86 THR CA C 59.561 0.300 1 874 86 86 THR CB C 71.997 0.300 1 875 86 86 THR CG2 C 20.919 0.300 1 876 86 86 THR N N 109.428 0.300 1 877 87 87 ARG HA H 4.391 0.030 1 878 87 87 ARG HB2 H 1.748 0.030 2 879 87 87 ARG HB3 H 2.070 0.030 2 880 87 87 ARG HG2 H 1.660 0.030 1 881 87 87 ARG HG3 H 1.660 0.030 1 882 87 87 ARG HD2 H 3.219 0.030 1 883 87 87 ARG HD3 H 3.219 0.030 1 884 87 87 ARG C C 175.121 0.300 1 885 87 87 ARG CA C 56.114 0.300 1 886 87 87 ARG CB C 29.635 0.300 1 887 87 87 ARG CG C 27.357 0.300 1 888 87 87 ARG CD C 43.398 0.300 1 889 88 88 SER H H 8.368 0.030 1 890 88 88 SER HA H 4.793 0.030 1 891 88 88 SER HB2 H 3.800 0.030 2 892 88 88 SER HB3 H 3.876 0.030 2 893 88 88 SER C C 175.071 0.300 1 894 88 88 SER CA C 55.056 0.300 1 895 88 88 SER CB C 63.850 0.300 1 896 88 88 SER N N 114.634 0.300 1 897 89 89 VAL HA H 3.754 0.030 1 898 89 89 VAL HB H 2.033 0.030 1 899 89 89 VAL HG1 H 0.904 0.030 1 900 89 89 VAL HG2 H 0.784 0.030 1 901 89 89 VAL C C 176.473 0.300 1 902 89 89 VAL CA C 66.227 0.300 1 903 89 89 VAL CB C 31.597 0.300 1 904 89 89 VAL CG1 C 22.999 0.300 2 905 89 89 VAL CG2 C 20.400 0.300 2 906 90 90 ASP H H 7.885 0.030 1 907 90 90 ASP HA H 4.202 0.030 1 908 90 90 ASP HB2 H 2.473 0.030 2 909 90 90 ASP HB3 H 2.559 0.030 2 910 90 90 ASP C C 179.111 0.300 1 911 90 90 ASP CA C 57.909 0.300 1 912 90 90 ASP CB C 41.168 0.300 1 913 90 90 ASP N N 119.293 0.300 1 914 91 91 GLN H H 7.810 0.030 1 915 91 91 GLN HA H 4.107 0.030 1 916 91 91 GLN HB2 H 2.148 0.030 2 917 91 91 GLN HB3 H 2.222 0.030 2 918 91 91 GLN HG2 H 2.467 0.030 1 919 91 91 GLN HG3 H 2.467 0.030 1 920 91 91 GLN HE21 H 7.337 0.030 2 921 91 91 GLN HE22 H 6.944 0.030 2 922 91 91 GLN C C 178.649 0.300 1 923 91 91 GLN CA C 58.543 0.300 1 924 91 91 GLN CB C 28.227 0.300 1 925 91 91 GLN CG C 33.784 0.300 1 926 91 91 GLN N N 118.936 0.300 1 927 91 91 GLN NE2 N 111.499 0.300 1 928 92 92 ASN H H 8.408 0.030 1 929 92 92 ASN HA H 4.717 0.030 1 930 92 92 ASN HB2 H 3.079 0.030 2 931 92 92 ASN HB3 H 2.819 0.030 2 932 92 92 ASN HD21 H 7.621 0.030 2 933 92 92 ASN HD22 H 7.991 0.030 2 934 92 92 ASN C C 177.859 0.300 1 935 92 92 ASN CA C 56.000 0.300 1 936 92 92 ASN CB C 37.073 0.300 1 937 92 92 ASN N N 120.012 0.300 1 938 92 92 ASN ND2 N 112.146 0.300 1 939 93 93 ARG H H 8.695 0.030 1 940 93 93 ARG HA H 3.943 0.030 1 941 93 93 ARG HB2 H 2.045 0.030 2 942 93 93 ARG HB3 H 2.081 0.030 2 943 93 93 ARG HG2 H 1.763 0.030 2 944 93 93 ARG HG3 H 2.261 0.030 2 945 93 93 ARG HD2 H 2.991 0.030 2 946 93 93 ARG HD3 H 3.121 0.030 2 947 93 93 ARG C C 178.840 0.300 1 948 93 93 ARG CA C 60.705 0.300 1 949 93 93 ARG CB C 31.569 0.300 1 950 93 93 ARG CG C 27.807 0.300 1 951 93 93 ARG CD C 44.087 0.300 1 952 93 93 ARG N N 121.013 0.300 1 953 94 94 LYS H H 7.309 0.030 1 954 94 94 LYS HA H 4.062 0.030 1 955 94 94 LYS HB2 H 1.981 0.030 2 956 94 94 LYS HB3 H 2.026 0.030 2 957 94 94 LYS HG2 H 1.684 0.030 2 958 94 94 LYS HG3 H 1.434 0.030 2 959 94 94 LYS HD2 H 1.678 0.030 1 960 94 94 LYS HD3 H 1.678 0.030 1 961 94 94 LYS HE2 H 2.985 0.030 1 962 94 94 LYS HE3 H 2.985 0.030 1 963 94 94 LYS C C 179.812 0.300 1 964 94 94 LYS CA C 59.514 0.300 1 965 94 94 LYS CB C 32.773 0.300 1 966 94 94 LYS CG C 25.472 0.300 1 967 94 94 LYS CD C 29.335 0.300 1 968 94 94 LYS CE C 42.160 0.300 1 969 94 94 LYS N N 120.232 0.300 1 970 95 95 ILE H H 8.518 0.030 1 971 95 95 ILE HA H 3.657 0.030 1 972 95 95 ILE HB H 2.054 0.030 1 973 95 95 ILE HG12 H 1.848 0.030 2 974 95 95 ILE HG13 H 1.024 0.030 2 975 95 95 ILE HG2 H 0.914 0.030 1 976 95 95 ILE HD1 H 0.861 0.030 1 977 95 95 ILE C C 177.907 0.300 1 978 95 95 ILE CA C 65.588 0.300 1 979 95 95 ILE CB C 38.342 0.300 1 980 95 95 ILE CG1 C 28.984 0.300 1 981 95 95 ILE CG2 C 18.489 0.300 1 982 95 95 ILE CD1 C 14.074 0.300 1 983 95 95 ILE N N 122.882 0.300 1 984 96 96 ALA H H 8.485 0.030 1 985 96 96 ALA HA H 3.895 0.030 1 986 96 96 ALA HB H 1.362 0.030 1 987 96 96 ALA C C 179.012 0.300 1 988 96 96 ALA CA C 55.305 0.300 1 989 96 96 ALA CB C 18.215 0.300 1 990 96 96 ALA N N 119.646 0.300 1 991 97 97 ARG H H 7.190 0.030 1 992 97 97 ARG HA H 3.607 0.030 1 993 97 97 ARG HB2 H 1.913 0.030 2 994 97 97 ARG HB3 H 1.725 0.030 2 995 97 97 ARG HG2 H 1.284 0.030 2 996 97 97 ARG HG3 H 1.934 0.030 2 997 97 97 ARG HD2 H 2.996 0.030 2 998 97 97 ARG HD3 H 3.098 0.030 2 999 97 97 ARG C C 177.483 0.300 1 1000 97 97 ARG CA C 60.138 0.300 1 1001 97 97 ARG CB C 29.520 0.300 1 1002 97 97 ARG CG C 31.326 0.300 1 1003 97 97 ARG CD C 42.306 0.300 1 1004 97 97 ARG N N 114.715 0.300 1 1005 98 98 LYS H H 7.623 0.030 1 1006 98 98 LYS HA H 4.116 0.030 1 1007 98 98 LYS HB2 H 1.978 0.030 2 1008 98 98 LYS HB3 H 2.084 0.030 2 1009 98 98 LYS HG2 H 1.452 0.030 2 1010 98 98 LYS HG3 H 1.553 0.030 2 1011 98 98 LYS HD2 H 1.683 0.030 1 1012 98 98 LYS HD3 H 1.683 0.030 1 1013 98 98 LYS HE2 H 2.964 0.030 1 1014 98 98 LYS HE3 H 2.964 0.030 1 1015 98 98 LYS C C 179.255 0.300 1 1016 98 98 LYS CA C 59.600 0.300 1 1017 98 98 LYS CB C 32.289 0.300 1 1018 98 98 LYS CG C 24.843 0.300 1 1019 98 98 LYS CD C 29.369 0.300 1 1020 98 98 LYS CE C 42.077 0.300 1 1021 98 98 LYS N N 121.710 0.300 1 1022 99 99 VAL H H 8.362 0.030 1 1023 99 99 VAL HA H 3.765 0.030 1 1024 99 99 VAL HB H 2.071 0.030 1 1025 99 99 VAL HG1 H 1.091 0.030 1 1026 99 99 VAL HG2 H 0.989 0.030 1 1027 99 99 VAL C C 179.042 0.300 1 1028 99 99 VAL CA C 65.885 0.300 1 1029 99 99 VAL CB C 32.255 0.300 1 1030 99 99 VAL CG1 C 22.294 0.300 2 1031 99 99 VAL CG2 C 21.612 0.300 2 1032 99 99 VAL N N 119.568 0.300 1 1033 100 100 LEU H H 8.812 0.030 1 1034 100 100 LEU HA H 3.938 0.030 1 1035 100 100 LEU HB2 H 1.869 0.030 2 1036 100 100 LEU HB3 H 1.489 0.030 2 1037 100 100 LEU HG H 1.453 0.030 1 1038 100 100 LEU HD1 H 0.822 0.030 1 1039 100 100 LEU HD2 H 0.799 0.030 1 1040 100 100 LEU C C 177.671 0.300 1 1041 100 100 LEU CA C 57.804 0.300 1 1042 100 100 LEU CB C 41.918 0.300 1 1043 100 100 LEU CG C 26.394 0.300 1 1044 100 100 LEU CD1 C 23.868 0.300 2 1045 100 100 LEU CD2 C 28.117 0.300 2 1046 100 100 LEU N N 120.221 0.300 1 1047 101 101 GLN H H 8.568 0.030 1 1048 101 101 GLN HA H 3.759 0.030 1 1049 101 101 GLN HB2 H 2.196 0.030 2 1050 101 101 GLN HB3 H 2.331 0.030 2 1051 101 101 GLN HG2 H 2.475 0.030 2 1052 101 101 GLN HG3 H 2.256 0.030 2 1053 101 101 GLN HE21 H 7.536 0.030 2 1054 101 101 GLN HE22 H 6.868 0.030 2 1055 101 101 GLN C C 178.108 0.300 1 1056 101 101 GLN CA C 59.546 0.300 1 1057 101 101 GLN CB C 28.258 0.300 1 1058 101 101 GLN CG C 33.804 0.300 1 1059 101 101 GLN N N 118.274 0.300 1 1060 101 101 GLN NE2 N 114.120 0.300 1 1061 102 102 GLU H H 7.381 0.030 1 1062 102 102 GLU HA H 4.059 0.030 1 1063 102 102 GLU HB2 H 2.152 0.030 2 1064 102 102 GLU HB3 H 2.284 0.030 2 1065 102 102 GLU HG2 H 2.539 0.030 2 1066 102 102 GLU HG3 H 2.255 0.030 2 1067 102 102 GLU C C 178.648 0.300 1 1068 102 102 GLU CA C 59.612 0.300 1 1069 102 102 GLU CB C 29.517 0.300 1 1070 102 102 GLU CG C 36.327 0.300 1 1071 102 102 GLU N N 117.864 0.300 1 1072 103 103 LYS H H 7.897 0.030 1 1073 103 103 LYS HA H 4.060 0.030 1 1074 103 103 LYS HB2 H 1.908 0.030 1 1075 103 103 LYS HB3 H 1.908 0.030 1 1076 103 103 LYS HG2 H 1.584 0.030 2 1077 103 103 LYS HG3 H 1.691 0.030 2 1078 103 103 LYS HD2 H 1.491 0.030 2 1079 103 103 LYS HD3 H 1.598 0.030 2 1080 103 103 LYS HE2 H 2.874 0.030 2 1081 103 103 LYS HE3 H 3.040 0.030 2 1082 103 103 LYS C C 179.933 0.300 1 1083 103 103 LYS CA C 59.502 0.300 1 1084 103 103 LYS CB C 33.345 0.300 1 1085 103 103 LYS CG C 25.704 0.300 1 1086 103 103 LYS CD C 29.157 0.300 1 1087 103 103 LYS CE C 42.084 0.300 1 1088 103 103 LYS N N 117.989 0.300 1 1089 104 104 VAL H H 8.988 0.030 1 1090 104 104 VAL HA H 3.393 0.030 1 1091 104 104 VAL HB H 1.860 0.030 1 1092 104 104 VAL HG1 H 0.624 0.030 1 1093 104 104 VAL HG2 H 0.478 0.030 1 1094 104 104 VAL C C 176.735 0.300 1 1095 104 104 VAL CA C 66.380 0.300 1 1096 104 104 VAL CB C 31.670 0.300 1 1097 104 104 VAL CG1 C 21.814 0.300 2 1098 104 104 VAL CG2 C 23.668 0.300 2 1099 104 104 VAL N N 122.347 0.300 1 1100 105 105 ASP H H 8.005 0.030 1 1101 105 105 ASP HA H 4.477 0.030 1 1102 105 105 ASP HB2 H 2.825 0.030 1 1103 105 105 ASP HB3 H 2.825 0.030 1 1104 105 105 ASP C C 178.902 0.300 1 1105 105 105 ASP CA C 58.494 0.300 1 1106 105 105 ASP CB C 42.686 0.300 1 1107 105 105 ASP N N 120.748 0.300 1 1108 106 106 VAL H H 7.615 0.030 1 1109 106 106 VAL HA H 3.758 0.030 1 1110 106 106 VAL HB H 2.149 0.030 1 1111 106 106 VAL HG1 H 1.163 0.030 1 1112 106 106 VAL HG2 H 0.968 0.030 1 1113 106 106 VAL C C 178.640 0.300 1 1114 106 106 VAL CA C 66.131 0.300 1 1115 106 106 VAL CB C 32.008 0.300 1 1116 106 106 VAL CG1 C 23.025 0.300 2 1117 106 106 VAL CG2 C 21.362 0.300 2 1118 106 106 VAL N N 117.527 0.300 1 1119 107 107 PHE H H 7.924 0.030 1 1120 107 107 PHE HA H 4.115 0.030 1 1121 107 107 PHE HB2 H 3.053 0.030 2 1122 107 107 PHE HB3 H 3.121 0.030 2 1123 107 107 PHE HD1 H 6.488 0.030 1 1124 107 107 PHE HD2 H 6.488 0.030 1 1125 107 107 PHE HE1 H 7.164 0.030 1 1126 107 107 PHE HE2 H 7.164 0.030 1 1127 107 107 PHE C C 177.968 0.300 1 1128 107 107 PHE CA C 61.431 0.300 1 1129 107 107 PHE CB C 39.481 0.300 1 1130 107 107 PHE CD1 C 131.947 0.300 1 1131 107 107 PHE CD2 C 131.947 0.300 1 1132 107 107 PHE CE1 C 131.693 0.300 1 1133 107 107 PHE CE2 C 131.693 0.300 1 1134 107 107 PHE N N 122.057 0.300 1 1135 108 108 TYR H H 8.109 0.030 1 1136 108 108 TYR HA H 4.389 0.030 1 1137 108 108 TYR HB2 H 3.244 0.030 2 1138 108 108 TYR HB3 H 2.796 0.030 2 1139 108 108 TYR HD1 H 7.333 0.030 1 1140 108 108 TYR HD2 H 7.333 0.030 1 1141 108 108 TYR HE1 H 6.924 0.030 1 1142 108 108 TYR HE2 H 6.924 0.030 1 1143 108 108 TYR C C 177.007 0.300 1 1144 108 108 TYR CA C 60.598 0.300 1 1145 108 108 TYR CB C 38.718 0.300 1 1146 108 108 TYR CD1 C 133.531 0.300 1 1147 108 108 TYR CD2 C 133.531 0.300 1 1148 108 108 TYR CE1 C 118.136 0.300 1 1149 108 108 TYR CE2 C 118.136 0.300 1 1150 108 108 TYR N N 115.306 0.300 1 1151 109 109 ASN H H 8.182 0.030 1 1152 109 109 ASN HA H 4.910 0.030 1 1153 109 109 ASN HB2 H 2.878 0.030 1 1154 109 109 ASN HB3 H 2.878 0.030 1 1155 109 109 ASN HD21 H 7.763 0.030 2 1156 109 109 ASN HD22 H 6.768 0.030 2 1157 109 109 ASN C C 175.457 0.300 1 1158 109 109 ASN CA C 54.177 0.300 1 1159 109 109 ASN CB C 39.403 0.300 1 1160 109 109 ASN N N 117.939 0.300 1 1161 109 109 ASN ND2 N 114.612 0.300 1 1162 110 110 SER H H 8.068 0.030 1 1163 110 110 SER HA H 4.536 0.030 1 1164 110 110 SER HB2 H 3.936 0.030 1 1165 110 110 SER HB3 H 3.936 0.030 1 1166 110 110 SER C C 174.460 0.300 1 1167 110 110 SER CA C 59.086 0.300 1 1168 110 110 SER CB C 64.133 0.300 1 1169 110 110 SER N N 115.153 0.300 1 1170 111 111 GLY H H 8.103 0.030 1 1171 111 111 GLY HA2 H 4.060 0.030 1 1172 111 111 GLY HA3 H 4.060 0.030 1 1173 111 111 GLY C C 171.748 0.300 1 1174 111 111 GLY CA C 44.699 0.300 1 1175 111 111 GLY N N 110.330 0.300 1 1176 112 112 PRO HA H 4.455 0.030 1 1177 112 112 PRO HB2 H 2.275 0.030 2 1178 112 112 PRO HB3 H 1.966 0.030 2 1179 112 112 PRO HG2 H 2.008 0.030 1 1180 112 112 PRO HG3 H 2.008 0.030 1 1181 112 112 PRO HD2 H 3.586 0.030 1 1182 112 112 PRO HD3 H 3.586 0.030 1 1183 112 112 PRO C C 177.334 0.300 1 1184 112 112 PRO CA C 63.237 0.300 1 1185 112 112 PRO CB C 32.141 0.300 1 1186 112 112 PRO CG C 27.404 0.300 1 1187 112 112 PRO CD C 49.817 0.300 1 1188 113 113 SER H H 8.497 0.030 1 1189 113 113 SER HA H 4.477 0.030 1 1190 113 113 SER HB2 H 3.870 0.030 1 1191 113 113 SER HB3 H 3.870 0.030 1 1192 113 113 SER C C 174.659 0.300 1 1193 113 113 SER CA C 58.319 0.300 1 1194 113 113 SER CB C 63.915 0.300 1 1195 113 113 SER N N 116.348 0.300 1 1196 114 114 SER H H 8.327 0.030 1 1197 114 114 SER HA H 4.483 0.030 1 1198 114 114 SER HB2 H 3.870 0.030 1 1199 114 114 SER HB3 H 3.870 0.030 1 1200 114 114 SER C C 173.906 0.300 1 1201 114 114 SER CA C 58.368 0.300 1 1202 114 114 SER CB C 64.124 0.300 1 1203 114 114 SER N N 117.883 0.300 1 1204 115 115 GLY H H 8.049 0.030 1 1205 115 115 GLY HA2 H 3.759 0.030 2 1206 115 115 GLY HA3 H 3.806 0.030 2 1207 115 115 GLY C C 178.950 0.300 1 1208 115 115 GLY CA C 46.230 0.300 1 1209 115 115 GLY N N 116.846 0.300 1 stop_ save_