data_10275 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the PAAD_DAPIN domain of mus musculus interferon-activatable protein 205 ; _BMRB_accession_number 10275 _BMRB_flat_file_name bmr10275.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _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 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe M. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 547 "13C chemical shifts" 381 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the PAAD_DAPIN domain of mus musculus interferon-activatable protein 205 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe M. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PAAD_DAPIN, UNP residues 8-88' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Interferon-activable protein 205' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Interferon-activable protein 205' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GSSGSSGIVLLRGLECINKH YFSLFKSLLARDLNLERDNQ EQYTTIQIANMMEEKFPADS GLGKLIEFCEEVPALRKRAE ILKKERSESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ILE 9 VAL 10 LEU 11 LEU 12 ARG 13 GLY 14 LEU 15 GLU 16 CYS 17 ILE 18 ASN 19 LYS 20 HIS 21 TYR 22 PHE 23 SER 24 LEU 25 PHE 26 LYS 27 SER 28 LEU 29 LEU 30 ALA 31 ARG 32 ASP 33 LEU 34 ASN 35 LEU 36 GLU 37 ARG 38 ASP 39 ASN 40 GLN 41 GLU 42 GLN 43 TYR 44 THR 45 THR 46 ILE 47 GLN 48 ILE 49 ALA 50 ASN 51 MET 52 MET 53 GLU 54 GLU 55 LYS 56 PHE 57 PRO 58 ALA 59 ASP 60 SER 61 GLY 62 LEU 63 GLY 64 LYS 65 LEU 66 ILE 67 GLU 68 PHE 69 CYS 70 GLU 71 GLU 72 VAL 73 PRO 74 ALA 75 LEU 76 ARG 77 LYS 78 ARG 79 ALA 80 GLU 81 ILE 82 LEU 83 LYS 84 LYS 85 GLU 86 ARG 87 SER 88 GLU 89 SER 90 GLY 91 PRO 92 SER 93 SER 94 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 2YU0 "Solution Structures Of The Paad_dapin Domain Of Mus Musculus Interferon-Activatable Protein 205" 100.00 94 100.00 100.00 4.40e-60 DBJ BAC37930 "unnamed protein product [Mus musculus]" 86.17 151 100.00 100.00 4.13e-52 DBJ BAE29634 "unnamed protein product [Mus musculus]" 86.17 208 98.77 98.77 1.05e-50 DBJ BAE31415 "unnamed protein product [Mus musculus]" 86.17 425 100.00 100.00 1.52e-48 DBJ BAE31495 "unnamed protein product [Mus musculus]" 86.17 425 100.00 100.00 1.40e-48 DBJ BAE38635 "unnamed protein product [Mus musculus]" 86.17 425 100.00 100.00 1.09e-48 EMBL CAJ18559 "Ifi16 [Mus musculus]" 86.17 626 100.00 100.00 3.91e-47 GB AAA39313 "interferon-activatable protein [Mus musculus]" 86.17 640 100.00 100.00 3.02e-47 GB AAB26880 "lipopolysaccharide-inducible [Mus sp.]" 86.17 425 100.00 100.00 1.66e-48 GB AAH10546 "Ifi204 protein [Mus musculus]" 86.17 626 100.00 100.00 3.91e-47 GB AAI32315 "Myeloid cell nuclear differentiation antigen [Mus musculus]" 86.17 425 100.00 100.00 1.40e-48 GB AAI32317 "Myeloid cell nuclear differentiation antigen [Mus musculus]" 86.17 425 100.00 100.00 1.40e-48 PIR I56329 "gene D3 protein - mouse" 86.17 425 100.00 100.00 1.66e-48 REF NP_001028622 "interferon-activable protein 205-B isoform 1 [Mus musculus]" 86.17 425 100.00 100.00 1.40e-48 REF NP_001288674 "interferon-activable protein 205-B isoform 2 [Mus musculus]" 86.17 423 100.00 100.00 1.51e-48 REF NP_032355 "interferon-activable protein 204 [Mus musculus]" 86.17 619 98.77 98.77 3.01e-46 REF XP_006496738 "PREDICTED: interferon-activable protein 204 isoform X1 [Mus musculus]" 86.17 617 98.77 98.77 3.86e-46 SP P15092 "RecName: Full=Interferon-activable protein 204; Short=Ifi-204; AltName: Full=Interferon-inducible protein p204" 86.17 640 100.00 100.00 2.99e-47 SP Q08619 "RecName: Full=Interferon-activable protein 205-B; Short=Ifi-205-B; AltName: Full=Interferon-inducible protein p205-B; AltName: " 86.17 425 100.00 100.00 1.40e-48 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_1 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P051212-10 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_1 0.5 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Interferon-activable protein 205' _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 6 6 SER H H 8.063 0.030 1 2 6 6 SER HA H 4.493 0.030 1 3 6 6 SER HB2 H 4.039 0.030 1 4 6 6 SER HB3 H 4.039 0.030 1 5 6 6 SER CA C 59.071 0.300 1 6 6 6 SER CB C 63.626 0.300 1 7 7 7 GLY H H 8.424 0.030 1 8 7 7 GLY HA2 H 3.985 0.030 2 9 7 7 GLY HA3 H 3.834 0.030 2 10 7 7 GLY CA C 47.092 0.300 1 11 7 7 GLY N N 109.548 0.300 1 12 8 8 ILE H H 7.565 0.030 1 13 8 8 ILE HA H 3.883 0.030 1 14 8 8 ILE HB H 1.990 0.030 1 15 8 8 ILE HD1 H 0.855 0.030 1 16 8 8 ILE HG12 H 1.577 0.030 2 17 8 8 ILE HG13 H 1.241 0.030 2 18 8 8 ILE HG2 H 0.906 0.030 1 19 8 8 ILE CA C 63.805 0.300 1 20 8 8 ILE CB C 37.866 0.300 1 21 8 8 ILE CD1 C 12.661 0.300 1 22 8 8 ILE CG1 C 28.534 0.300 1 23 8 8 ILE CG2 C 17.379 0.300 1 24 8 8 ILE N N 123.348 0.300 1 25 9 9 VAL H H 7.538 0.030 1 26 9 9 VAL HA H 3.471 0.030 1 27 9 9 VAL HB H 2.120 0.030 1 28 9 9 VAL HG1 H 0.962 0.030 1 29 9 9 VAL HG2 H 0.961 0.030 1 30 9 9 VAL CA C 66.382 0.300 1 31 9 9 VAL CB C 31.755 0.300 1 32 9 9 VAL CG1 C 22.769 0.300 2 33 9 9 VAL CG2 C 22.908 0.300 2 34 9 9 VAL N N 121.471 0.300 1 35 10 10 LEU H H 7.941 0.030 1 36 10 10 LEU HA H 3.848 0.030 1 37 10 10 LEU HB2 H 1.859 0.030 2 38 10 10 LEU HB3 H 1.444 0.030 2 39 10 10 LEU HD1 H 0.831 0.030 1 40 10 10 LEU HD2 H 0.872 0.030 1 41 10 10 LEU HG H 1.513 0.030 1 42 10 10 LEU CA C 58.619 0.300 1 43 10 10 LEU CB C 41.377 0.300 1 44 10 10 LEU CD1 C 23.038 0.300 2 45 10 10 LEU CD2 C 25.745 0.300 2 46 10 10 LEU CG C 27.158 0.300 1 47 10 10 LEU N N 119.521 0.300 1 48 11 11 LEU H H 8.207 0.030 1 49 11 11 LEU HA H 3.792 0.030 1 50 11 11 LEU HB2 H 2.075 0.030 2 51 11 11 LEU HB3 H 1.498 0.030 2 52 11 11 LEU HD1 H 1.241 0.030 1 53 11 11 LEU HD2 H 0.879 0.030 1 54 11 11 LEU HG H 1.598 0.030 1 55 11 11 LEU CA C 58.241 0.300 1 56 11 11 LEU CB C 41.790 0.300 1 57 11 11 LEU CD1 C 25.961 0.300 2 58 11 11 LEU CD2 C 24.334 0.300 2 59 11 11 LEU CG C 27.259 0.300 1 60 11 11 LEU N N 119.938 0.300 1 61 12 12 ARG H H 7.904 0.030 1 62 12 12 ARG HA H 3.966 0.030 1 63 12 12 ARG HB2 H 1.855 0.030 2 64 12 12 ARG HB3 H 1.726 0.030 2 65 12 12 ARG HD2 H 3.140 0.030 1 66 12 12 ARG HD3 H 3.140 0.030 1 67 12 12 ARG HG2 H 1.719 0.030 2 68 12 12 ARG HG3 H 1.591 0.030 2 69 12 12 ARG CA C 59.301 0.300 1 70 12 12 ARG CB C 30.132 0.300 1 71 12 12 ARG CD C 43.824 0.300 1 72 12 12 ARG CG C 27.586 0.300 1 73 12 12 ARG N N 116.799 0.300 1 74 13 13 GLY H H 8.190 0.030 1 75 13 13 GLY HA2 H 3.740 0.030 2 76 13 13 GLY HA3 H 3.437 0.030 2 77 13 13 GLY CA C 47.988 0.300 1 78 13 13 GLY N N 107.618 0.300 1 79 14 14 LEU H H 8.515 0.030 1 80 14 14 LEU HA H 3.785 0.030 1 81 14 14 LEU HB2 H 1.918 0.030 2 82 14 14 LEU HB3 H 0.981 0.030 2 83 14 14 LEU HD1 H 0.933 0.030 1 84 14 14 LEU HD2 H 0.720 0.030 1 85 14 14 LEU HG H 1.867 0.030 1 86 14 14 LEU C C 178.232 0.300 1 87 14 14 LEU CA C 57.401 0.300 1 88 14 14 LEU CB C 41.981 0.300 1 89 14 14 LEU CD1 C 26.715 0.300 2 90 14 14 LEU CD2 C 23.322 0.300 2 91 14 14 LEU CG C 26.068 0.300 1 92 14 14 LEU N N 120.161 0.300 1 93 15 15 GLU H H 7.931 0.030 1 94 15 15 GLU HA H 4.030 0.030 1 95 15 15 GLU HB2 H 2.086 0.030 1 96 15 15 GLU HB3 H 2.086 0.030 1 97 15 15 GLU HG2 H 2.398 0.030 2 98 15 15 GLU HG3 H 2.167 0.030 2 99 15 15 GLU CA C 57.961 0.300 1 100 15 15 GLU CB C 30.140 0.300 1 101 15 15 GLU CG C 36.740 0.300 1 102 15 15 GLU N N 114.703 0.300 1 103 16 16 CYS H H 7.612 0.030 1 104 16 16 CYS HA H 4.457 0.030 1 105 16 16 CYS HB2 H 2.910 0.030 1 106 16 16 CYS HB3 H 2.910 0.030 1 107 16 16 CYS CA C 60.982 0.300 1 108 16 16 CYS CB C 27.917 0.300 1 109 16 16 CYS N N 114.695 0.300 1 110 17 17 ILE H H 7.142 0.030 1 111 17 17 ILE HA H 4.533 0.030 1 112 17 17 ILE HB H 2.100 0.030 1 113 17 17 ILE HD1 H 0.707 0.030 1 114 17 17 ILE HG12 H 1.660 0.030 2 115 17 17 ILE HG13 H 1.562 0.030 2 116 17 17 ILE HG2 H 1.029 0.030 1 117 17 17 ILE CA C 61.521 0.300 1 118 17 17 ILE CB C 39.206 0.300 1 119 17 17 ILE CD1 C 13.115 0.300 1 120 17 17 ILE CG1 C 24.875 0.300 1 121 17 17 ILE CG2 C 17.900 0.300 1 122 17 17 ILE N N 115.031 0.300 1 123 18 18 ASN H H 8.325 0.030 1 124 18 18 ASN HA H 4.575 0.030 1 125 18 18 ASN HB2 H 3.400 0.030 2 126 18 18 ASN HB3 H 3.057 0.030 2 127 18 18 ASN HD21 H 7.674 0.030 2 128 18 18 ASN HD22 H 6.752 0.030 2 129 18 18 ASN C C 175.171 0.300 1 130 18 18 ASN CA C 53.278 0.300 1 131 18 18 ASN CB C 38.419 0.300 1 132 18 18 ASN N N 119.943 0.300 1 133 18 18 ASN ND2 N 110.608 0.300 1 134 19 19 LYS H H 8.514 0.030 1 135 19 19 LYS HA H 4.242 0.030 1 136 19 19 LYS HB2 H 2.001 0.030 2 137 19 19 LYS HB3 H 1.951 0.030 2 138 19 19 LYS HD2 H 1.789 0.030 1 139 19 19 LYS HD3 H 1.789 0.030 1 140 19 19 LYS HE2 H 3.066 0.030 1 141 19 19 LYS HE3 H 3.066 0.030 1 142 19 19 LYS HG2 H 1.636 0.030 2 143 19 19 LYS HG3 H 1.588 0.030 2 144 19 19 LYS C C 178.868 0.300 1 145 19 19 LYS CA C 60.006 0.300 1 146 19 19 LYS CB C 32.291 0.300 1 147 19 19 LYS CD C 29.201 0.300 1 148 19 19 LYS CE C 42.172 0.300 1 149 19 19 LYS CG C 25.004 0.300 1 150 19 19 LYS N N 118.191 0.300 1 151 20 20 HIS H H 8.328 0.030 1 152 20 20 HIS HA H 4.371 0.030 1 153 20 20 HIS HB2 H 3.001 0.030 2 154 20 20 HIS HB3 H 2.926 0.030 2 155 20 20 HIS HD2 H 5.743 0.030 1 156 20 20 HIS HE1 H 7.727 0.030 1 157 20 20 HIS C C 178.335 0.300 1 158 20 20 HIS CA C 59.785 0.300 1 159 20 20 HIS CB C 29.879 0.300 1 160 20 20 HIS CD2 C 119.201 0.300 1 161 20 20 HIS CE1 C 138.678 0.300 1 162 20 20 HIS N N 120.900 0.300 1 163 21 21 TYR H H 8.464 0.030 1 164 21 21 TYR HA H 4.540 0.030 1 165 21 21 TYR HB2 H 3.328 0.030 2 166 21 21 TYR HB3 H 3.058 0.030 2 167 21 21 TYR HD1 H 7.318 0.030 1 168 21 21 TYR HD2 H 7.318 0.030 1 169 21 21 TYR HE1 H 6.941 0.030 1 170 21 21 TYR HE2 H 6.941 0.030 1 171 21 21 TYR C C 178.222 0.300 1 172 21 21 TYR CA C 61.863 0.300 1 173 21 21 TYR CB C 38.012 0.300 1 174 21 21 TYR CD1 C 132.942 0.300 1 175 21 21 TYR CD2 C 132.942 0.300 1 176 21 21 TYR CE1 C 118.489 0.300 1 177 21 21 TYR CE2 C 118.489 0.300 1 178 21 21 TYR N N 118.132 0.300 1 179 22 22 PHE H H 9.095 0.030 1 180 22 22 PHE HA H 4.616 0.030 1 181 22 22 PHE HB2 H 3.540 0.030 2 182 22 22 PHE HB3 H 3.202 0.030 2 183 22 22 PHE HD1 H 7.374 0.030 1 184 22 22 PHE HD2 H 7.374 0.030 1 185 22 22 PHE HE1 H 7.349 0.030 1 186 22 22 PHE HE2 H 7.349 0.030 1 187 22 22 PHE HZ H 6.990 0.030 1 188 22 22 PHE C C 177.409 0.300 1 189 22 22 PHE CA C 59.761 0.300 1 190 22 22 PHE CB C 38.982 0.300 1 191 22 22 PHE CD1 C 132.275 0.300 1 192 22 22 PHE CD2 C 132.275 0.300 1 193 22 22 PHE CE1 C 130.278 0.300 1 194 22 22 PHE CE2 C 130.278 0.300 1 195 22 22 PHE CZ C 129.696 0.300 1 196 22 22 PHE N N 121.771 0.300 1 197 23 23 SER H H 8.400 0.030 1 198 23 23 SER HA H 3.785 0.030 1 199 23 23 SER HB2 H 4.095 0.030 2 200 23 23 SER HB3 H 3.955 0.030 2 201 23 23 SER C C 177.318 0.300 1 202 23 23 SER CA C 62.453 0.300 1 203 23 23 SER CB C 62.279 0.300 1 204 23 23 SER N N 115.511 0.300 1 205 24 24 LEU H H 7.737 0.030 1 206 24 24 LEU HA H 4.118 0.030 1 207 24 24 LEU HB2 H 1.989 0.030 1 208 24 24 LEU HB3 H 1.989 0.030 1 209 24 24 LEU HD1 H 1.060 0.030 1 210 24 24 LEU HD2 H 0.964 0.030 1 211 24 24 LEU HG H 1.717 0.030 1 212 24 24 LEU C C 178.956 0.300 1 213 24 24 LEU CA C 57.992 0.300 1 214 24 24 LEU CB C 42.066 0.300 1 215 24 24 LEU CD1 C 24.011 0.300 2 216 24 24 LEU CD2 C 24.257 0.300 2 217 24 24 LEU CG C 27.045 0.300 1 218 24 24 LEU N N 123.378 0.300 1 219 25 25 PHE H H 8.643 0.030 1 220 25 25 PHE HA H 3.475 0.030 1 221 25 25 PHE HB2 H 2.762 0.030 2 222 25 25 PHE HB3 H 2.387 0.030 2 223 25 25 PHE HD1 H 6.321 0.030 1 224 25 25 PHE HD2 H 6.321 0.030 1 225 25 25 PHE HE1 H 6.997 0.030 1 226 25 25 PHE HE2 H 6.997 0.030 1 227 25 25 PHE HZ H 6.742 0.030 1 228 25 25 PHE C C 176.905 0.300 1 229 25 25 PHE CA C 61.196 0.300 1 230 25 25 PHE CB C 38.741 0.300 1 231 25 25 PHE CD1 C 130.977 0.300 1 232 25 25 PHE CD2 C 130.977 0.300 1 233 25 25 PHE CE1 C 130.881 0.300 1 234 25 25 PHE CE2 C 130.881 0.300 1 235 25 25 PHE CZ C 128.571 0.300 1 236 25 25 PHE N N 122.640 0.300 1 237 26 26 LYS H H 8.022 0.030 1 238 26 26 LYS HA H 3.197 0.030 1 239 26 26 LYS HB2 H 1.791 0.030 2 240 26 26 LYS HB3 H 1.075 0.030 2 241 26 26 LYS HD2 H 1.390 0.030 1 242 26 26 LYS HD3 H 1.390 0.030 1 243 26 26 LYS HE2 H 2.680 0.030 2 244 26 26 LYS HE3 H 1.222 0.030 2 245 26 26 LYS HG2 H 0.929 0.030 2 246 26 26 LYS HG3 H 0.809 0.030 2 247 26 26 LYS C C 177.424 0.300 1 248 26 26 LYS CA C 61.439 0.300 1 249 26 26 LYS CB C 32.363 0.300 1 250 26 26 LYS CD C 30.803 0.300 1 251 26 26 LYS CE C 41.451 0.300 1 252 26 26 LYS CG C 26.574 0.300 1 253 26 26 LYS N N 116.023 0.300 1 254 27 27 SER H H 7.473 0.030 1 255 27 27 SER HA H 4.134 0.030 1 256 27 27 SER HB2 H 3.964 0.030 1 257 27 27 SER HB3 H 3.964 0.030 1 258 27 27 SER C C 177.449 0.300 1 259 27 27 SER CA C 61.544 0.300 1 260 27 27 SER CB C 62.828 0.300 1 261 27 27 SER N N 111.668 0.300 1 262 28 28 LEU H H 7.625 0.030 1 263 28 28 LEU HA H 4.117 0.030 1 264 28 28 LEU HB2 H 1.644 0.030 1 265 28 28 LEU HB3 H 1.644 0.030 1 266 28 28 LEU HD1 H 1.033 0.030 1 267 28 28 LEU HD2 H 0.947 0.030 1 268 28 28 LEU HG H 1.656 0.030 1 269 28 28 LEU C C 179.076 0.300 1 270 28 28 LEU CA C 57.336 0.300 1 271 28 28 LEU CB C 41.585 0.300 1 272 28 28 LEU CD1 C 25.060 0.300 2 273 28 28 LEU CD2 C 24.193 0.300 2 274 28 28 LEU CG C 26.796 0.300 1 275 28 28 LEU N N 123.121 0.300 1 276 29 29 LEU H H 7.391 0.030 1 277 29 29 LEU HA H 4.276 0.030 1 278 29 29 LEU HB2 H 1.498 0.030 2 279 29 29 LEU HB3 H 1.146 0.030 2 280 29 29 LEU HD1 H 0.415 0.030 1 281 29 29 LEU HD2 H 0.433 0.030 1 282 29 29 LEU HG H 1.130 0.030 1 283 29 29 LEU C C 177.606 0.300 1 284 29 29 LEU CA C 54.243 0.300 1 285 29 29 LEU CB C 41.665 0.300 1 286 29 29 LEU CD1 C 25.705 0.300 2 287 29 29 LEU CD2 C 23.054 0.300 2 288 29 29 LEU CG C 27.583 0.300 1 289 29 29 LEU N N 119.910 0.300 1 290 30 30 ALA H H 7.242 0.030 1 291 30 30 ALA HA H 3.505 0.030 1 292 30 30 ALA HB H 1.405 0.030 1 293 30 30 ALA C C 179.568 0.300 1 294 30 30 ALA CA C 56.470 0.300 1 295 30 30 ALA CB C 18.818 0.300 1 296 30 30 ALA N N 122.470 0.300 1 297 31 31 ARG H H 8.256 0.030 1 298 31 31 ARG HA H 4.142 0.030 1 299 31 31 ARG HB2 H 1.883 0.030 2 300 31 31 ARG HB3 H 1.836 0.030 2 301 31 31 ARG HD2 H 3.201 0.030 1 302 31 31 ARG HD3 H 3.201 0.030 1 303 31 31 ARG HG2 H 1.692 0.030 2 304 31 31 ARG HG3 H 1.573 0.030 2 305 31 31 ARG C C 179.303 0.300 1 306 31 31 ARG CA C 58.917 0.300 1 307 31 31 ARG CB C 29.407 0.300 1 308 31 31 ARG CD C 43.291 0.300 1 309 31 31 ARG CG C 27.141 0.300 1 310 31 31 ARG N N 116.240 0.300 1 311 32 32 ASP H H 8.205 0.030 1 312 32 32 ASP HA H 4.334 0.030 1 313 32 32 ASP HB2 H 2.612 0.030 2 314 32 32 ASP HB3 H 2.472 0.030 2 315 32 32 ASP C C 177.470 0.300 1 316 32 32 ASP CA C 57.336 0.300 1 317 32 32 ASP CB C 41.582 0.300 1 318 32 32 ASP N N 120.398 0.300 1 319 33 33 LEU H H 7.933 0.030 1 320 33 33 LEU HA H 4.206 0.030 1 321 33 33 LEU HB2 H 1.616 0.030 2 322 33 33 LEU HB3 H 1.292 0.030 2 323 33 33 LEU HD1 H 0.765 0.030 1 324 33 33 LEU HD2 H 0.619 0.030 1 325 33 33 LEU HG H 1.756 0.030 1 326 33 33 LEU C C 175.261 0.300 1 327 33 33 LEU CA C 53.700 0.300 1 328 33 33 LEU CB C 41.306 0.300 1 329 33 33 LEU CD1 C 26.001 0.300 2 330 33 33 LEU CD2 C 22.286 0.300 2 331 33 33 LEU CG C 26.867 0.300 1 332 33 33 LEU N N 113.338 0.300 1 333 34 34 ASN H H 7.688 0.030 1 334 34 34 ASN HA H 4.307 0.030 1 335 34 34 ASN HB2 H 3.075 0.030 2 336 34 34 ASN HB3 H 2.590 0.030 2 337 34 34 ASN HD21 H 7.520 0.030 2 338 34 34 ASN HD22 H 6.757 0.030 2 339 34 34 ASN C C 175.092 0.300 1 340 34 34 ASN CA C 53.960 0.300 1 341 34 34 ASN CB C 37.073 0.300 1 342 34 34 ASN N N 116.912 0.300 1 343 34 34 ASN ND2 N 112.136 0.300 1 344 35 35 LEU H H 8.177 0.030 1 345 35 35 LEU HA H 4.008 0.030 1 346 35 35 LEU HB2 H 1.375 0.030 2 347 35 35 LEU HB3 H 1.174 0.030 2 348 35 35 LEU HD1 H 0.389 0.030 1 349 35 35 LEU HD2 H -0.139 0.030 1 350 35 35 LEU HG H 1.363 0.030 1 351 35 35 LEU C C 177.637 0.300 1 352 35 35 LEU CA C 54.233 0.300 1 353 35 35 LEU CB C 41.024 0.300 1 354 35 35 LEU CD1 C 24.739 0.300 2 355 35 35 LEU CD2 C 20.549 0.300 2 356 35 35 LEU CG C 26.743 0.300 1 357 35 35 LEU N N 115.363 0.300 1 358 36 36 GLU H H 8.419 0.030 1 359 36 36 GLU HA H 4.175 0.030 1 360 36 36 GLU HB2 H 2.141 0.030 2 361 36 36 GLU HB3 H 2.048 0.030 2 362 36 36 GLU HG2 H 2.386 0.030 2 363 36 36 GLU HG3 H 2.324 0.030 2 364 36 36 GLU C C 177.626 0.300 1 365 36 36 GLU CA C 56.872 0.300 1 366 36 36 GLU CB C 29.675 0.300 1 367 36 36 GLU CG C 36.408 0.300 1 368 36 36 GLU N N 122.591 0.300 1 369 37 37 ARG H H 8.577 0.030 1 370 37 37 ARG HA H 3.889 0.030 1 371 37 37 ARG HB2 H 1.817 0.030 1 372 37 37 ARG HB3 H 1.817 0.030 1 373 37 37 ARG HD2 H 3.167 0.030 1 374 37 37 ARG HD3 H 3.167 0.030 1 375 37 37 ARG HG2 H 1.653 0.030 1 376 37 37 ARG HG3 H 1.653 0.030 1 377 37 37 ARG C C 178.119 0.300 1 378 37 37 ARG CA C 58.924 0.300 1 379 37 37 ARG CB C 30.074 0.300 1 380 37 37 ARG CD C 43.081 0.300 1 381 37 37 ARG CG C 27.002 0.300 1 382 37 37 ARG N N 124.790 0.300 1 383 38 38 ASP H H 8.623 0.030 1 384 38 38 ASP HA H 4.591 0.030 1 385 38 38 ASP HB2 H 2.711 0.030 2 386 38 38 ASP HB3 H 2.603 0.030 2 387 38 38 ASP C C 176.021 0.300 1 388 38 38 ASP CA C 55.073 0.300 1 389 38 38 ASP CB C 40.722 0.300 1 390 38 38 ASP N N 116.313 0.300 1 391 39 39 ASN H H 7.668 0.030 1 392 39 39 ASN HA H 4.936 0.030 1 393 39 39 ASN HB2 H 2.737 0.030 2 394 39 39 ASN HB3 H 2.507 0.030 2 395 39 39 ASN HD21 H 7.312 0.030 2 396 39 39 ASN HD22 H 6.766 0.030 2 397 39 39 ASN C C 175.702 0.300 1 398 39 39 ASN CA C 52.626 0.300 1 399 39 39 ASN CB C 38.966 0.300 1 400 39 39 ASN N N 116.330 0.300 1 401 39 39 ASN ND2 N 111.576 0.300 1 402 40 40 GLN H H 8.324 0.030 1 403 40 40 GLN HA H 4.285 0.030 1 404 40 40 GLN HB2 H 2.079 0.030 1 405 40 40 GLN HB3 H 2.079 0.030 1 406 40 40 GLN HE21 H 7.509 0.030 2 407 40 40 GLN HE22 H 6.562 0.030 2 408 40 40 GLN HG2 H 2.385 0.030 2 409 40 40 GLN HG3 H 2.180 0.030 2 410 40 40 GLN C C 178.897 0.300 1 411 40 40 GLN CA C 58.513 0.300 1 412 40 40 GLN CB C 29.225 0.300 1 413 40 40 GLN CG C 34.691 0.300 1 414 40 40 GLN N N 119.556 0.300 1 415 40 40 GLN NE2 N 109.568 0.300 1 416 41 41 GLU H H 8.956 0.030 1 417 41 41 GLU HA H 3.950 0.030 1 418 41 41 GLU HB2 H 2.001 0.030 1 419 41 41 GLU HB3 H 2.001 0.030 1 420 41 41 GLU HG2 H 2.311 0.030 1 421 41 41 GLU HG3 H 2.311 0.030 1 422 41 41 GLU C C 176.712 0.300 1 423 41 41 GLU CA C 58.716 0.300 1 424 41 41 GLU CB C 29.124 0.300 1 425 41 41 GLU CG C 36.141 0.300 1 426 41 41 GLU N N 121.919 0.300 1 427 42 42 GLN H H 7.634 0.030 1 428 42 42 GLN HA H 4.052 0.030 1 429 42 42 GLN HB2 H 1.913 0.030 2 430 42 42 GLN HB3 H 1.803 0.030 2 431 42 42 GLN HE21 H 7.187 0.030 2 432 42 42 GLN HE22 H 6.813 0.030 2 433 42 42 GLN HG2 H 1.950 0.030 2 434 42 42 GLN HG3 H 1.474 0.030 2 435 42 42 GLN C C 176.286 0.300 1 436 42 42 GLN CA C 56.859 0.300 1 437 42 42 GLN CB C 28.418 0.300 1 438 42 42 GLN CG C 32.690 0.300 1 439 42 42 GLN N N 114.515 0.300 1 440 42 42 GLN NE2 N 112.225 0.300 1 441 43 43 TYR H H 6.692 0.030 1 442 43 43 TYR HA H 4.866 0.030 1 443 43 43 TYR HB2 H 2.862 0.030 2 444 43 43 TYR HB3 H 2.597 0.030 2 445 43 43 TYR HD1 H 7.171 0.030 1 446 43 43 TYR HD2 H 7.171 0.030 1 447 43 43 TYR HE1 H 6.823 0.030 1 448 43 43 TYR HE2 H 6.823 0.030 1 449 43 43 TYR C C 177.063 0.300 1 450 43 43 TYR CA C 58.627 0.300 1 451 43 43 TYR CB C 39.628 0.300 1 452 43 43 TYR CD1 C 133.228 0.300 1 453 43 43 TYR CD2 C 133.228 0.300 1 454 43 43 TYR CE1 C 118.872 0.300 1 455 43 43 TYR CE2 C 118.872 0.300 1 456 43 43 TYR N N 116.167 0.300 1 457 44 44 THR H H 8.785 0.030 1 458 44 44 THR HA H 4.800 0.030 1 459 44 44 THR HB H 4.867 0.030 1 460 44 44 THR HG2 H 1.423 0.030 1 461 44 44 THR C C 176.061 0.300 1 462 44 44 THR CA C 60.519 0.300 1 463 44 44 THR CB C 71.926 0.300 1 464 44 44 THR CG2 C 21.950 0.300 1 465 44 44 THR N N 116.779 0.300 1 466 45 45 THR H H 8.849 0.030 1 467 45 45 THR HA H 3.626 0.030 1 468 45 45 THR HB H 3.792 0.030 1 469 45 45 THR HG2 H 0.333 0.030 1 470 45 45 THR C C 176.458 0.300 1 471 45 45 THR CA C 65.716 0.300 1 472 45 45 THR CB C 67.141 0.300 1 473 45 45 THR CG2 C 22.552 0.300 1 474 45 45 THR N N 112.579 0.300 1 475 46 46 ILE H H 7.144 0.030 1 476 46 46 ILE HA H 3.803 0.030 1 477 46 46 ILE HB H 1.707 0.030 1 478 46 46 ILE HD1 H 0.912 0.030 1 479 46 46 ILE HG12 H 1.566 0.030 2 480 46 46 ILE HG13 H 1.186 0.030 2 481 46 46 ILE HG2 H 0.906 0.030 1 482 46 46 ILE C C 177.573 0.300 1 483 46 46 ILE CA C 64.078 0.300 1 484 46 46 ILE CB C 38.733 0.300 1 485 46 46 ILE CD1 C 13.760 0.300 1 486 46 46 ILE CG1 C 29.494 0.300 1 487 46 46 ILE CG2 C 17.447 0.300 1 488 46 46 ILE N N 119.409 0.300 1 489 47 47 GLN H H 7.552 0.030 1 490 47 47 GLN HA H 4.124 0.030 1 491 47 47 GLN HB2 H 2.493 0.030 2 492 47 47 GLN HB3 H 2.076 0.030 2 493 47 47 GLN HE21 H 7.502 0.030 2 494 47 47 GLN HE22 H 6.786 0.030 2 495 47 47 GLN HG2 H 2.516 0.030 1 496 47 47 GLN HG3 H 2.516 0.030 1 497 47 47 GLN C C 179.640 0.300 1 498 47 47 GLN CA C 59.282 0.300 1 499 47 47 GLN CB C 29.242 0.300 1 500 47 47 GLN CG C 35.036 0.300 1 501 47 47 GLN N N 119.564 0.300 1 502 47 47 GLN NE2 N 110.247 0.300 1 503 48 48 ILE H H 8.520 0.030 1 504 48 48 ILE HA H 3.861 0.030 1 505 48 48 ILE HB H 2.445 0.030 1 506 48 48 ILE HD1 H 0.465 0.030 1 507 48 48 ILE HG12 H 2.134 0.030 2 508 48 48 ILE HG13 H 1.255 0.030 2 509 48 48 ILE HG2 H 0.958 0.030 1 510 48 48 ILE C C 177.779 0.300 1 511 48 48 ILE CA C 61.208 0.300 1 512 48 48 ILE CB C 34.654 0.300 1 513 48 48 ILE CD1 C 8.701 0.300 1 514 48 48 ILE CG1 C 27.441 0.300 1 515 48 48 ILE CG2 C 17.912 0.300 1 516 48 48 ILE N N 118.052 0.300 1 517 49 49 ALA H H 8.826 0.030 1 518 49 49 ALA HA H 4.071 0.030 1 519 49 49 ALA HB H 1.536 0.030 1 520 49 49 ALA C C 179.849 0.300 1 521 49 49 ALA CA C 55.909 0.300 1 522 49 49 ALA CB C 18.289 0.300 1 523 49 49 ALA N N 123.182 0.300 1 524 50 50 ASN H H 8.319 0.030 1 525 50 50 ASN HA H 4.517 0.030 1 526 50 50 ASN HB2 H 2.982 0.030 2 527 50 50 ASN HB3 H 2.841 0.030 2 528 50 50 ASN HD21 H 7.633 0.030 2 529 50 50 ASN HD22 H 6.857 0.030 2 530 50 50 ASN CA C 56.309 0.300 1 531 50 50 ASN CB C 38.198 0.300 1 532 50 50 ASN N N 116.379 0.300 1 533 50 50 ASN ND2 N 111.234 0.300 1 534 51 51 MET H H 8.233 0.030 1 535 51 51 MET HA H 4.132 0.030 1 536 51 51 MET HB2 H 2.166 0.030 2 537 51 51 MET HB3 H 2.056 0.030 2 538 51 51 MET HE H 1.891 0.030 1 539 51 51 MET HG2 H 2.941 0.030 2 540 51 51 MET HG3 H 2.559 0.030 2 541 51 51 MET CA C 59.312 0.300 1 542 51 51 MET CB C 34.763 0.300 1 543 51 51 MET CE C 18.298 0.300 1 544 51 51 MET CG C 33.178 0.300 1 545 51 51 MET N N 119.934 0.300 1 546 52 52 MET H H 8.926 0.030 1 547 52 52 MET HA H 3.874 0.030 1 548 52 52 MET HB2 H 2.581 0.030 2 549 52 52 MET HB3 H 2.317 0.030 2 550 52 52 MET HE H 2.251 0.030 1 551 52 52 MET HG2 H 3.009 0.030 2 552 52 52 MET HG3 H 2.386 0.030 2 553 52 52 MET C C 177.228 0.300 1 554 52 52 MET CA C 60.218 0.300 1 555 52 52 MET CB C 33.427 0.300 1 556 52 52 MET CE C 19.137 0.300 1 557 52 52 MET CG C 35.243 0.300 1 558 52 52 MET N N 120.686 0.300 1 559 53 53 GLU H H 8.111 0.030 1 560 53 53 GLU HA H 3.863 0.030 1 561 53 53 GLU HB2 H 2.270 0.030 2 562 53 53 GLU HB3 H 2.129 0.030 2 563 53 53 GLU HG2 H 2.456 0.030 2 564 53 53 GLU HG3 H 2.265 0.030 2 565 53 53 GLU C C 177.640 0.300 1 566 53 53 GLU CA C 59.847 0.300 1 567 53 53 GLU CB C 29.778 0.300 1 568 53 53 GLU CG C 36.535 0.300 1 569 53 53 GLU N N 119.207 0.300 1 570 54 54 GLU H H 7.030 0.030 1 571 54 54 GLU HA H 4.014 0.030 1 572 54 54 GLU HB2 H 2.120 0.030 2 573 54 54 GLU HB3 H 2.025 0.030 2 574 54 54 GLU HG2 H 2.351 0.030 2 575 54 54 GLU HG3 H 2.130 0.030 2 576 54 54 GLU C C 178.008 0.300 1 577 54 54 GLU CA C 58.211 0.300 1 578 54 54 GLU CB C 30.149 0.300 1 579 54 54 GLU CG C 36.252 0.300 1 580 54 54 GLU N N 115.049 0.300 1 581 55 55 LYS H H 7.670 0.030 1 582 55 55 LYS HA H 3.930 0.030 1 583 55 55 LYS HB2 H 1.320 0.030 2 584 55 55 LYS HB3 H 0.985 0.030 2 585 55 55 LYS HD2 H 1.514 0.030 2 586 55 55 LYS HD3 H 1.419 0.030 2 587 55 55 LYS HE2 H 2.817 0.030 2 588 55 55 LYS HE3 H 2.764 0.030 2 589 55 55 LYS HG2 H 0.879 0.030 2 590 55 55 LYS HG3 H 0.455 0.030 2 591 55 55 LYS C C 175.986 0.300 1 592 55 55 LYS CA C 56.405 0.300 1 593 55 55 LYS CB C 32.705 0.300 1 594 55 55 LYS CD C 27.626 0.300 1 595 55 55 LYS CE C 42.243 0.300 1 596 55 55 LYS CG C 24.365 0.300 1 597 55 55 LYS N N 117.040 0.300 1 598 56 56 PHE H H 8.079 0.030 1 599 56 56 PHE HA H 5.215 0.030 1 600 56 56 PHE HB2 H 3.139 0.030 2 601 56 56 PHE HB3 H 3.077 0.030 2 602 56 56 PHE HD1 H 7.317 0.030 1 603 56 56 PHE HD2 H 7.317 0.030 1 604 56 56 PHE HE1 H 7.164 0.030 1 605 56 56 PHE HE2 H 7.164 0.030 1 606 56 56 PHE HZ H 7.125 0.030 1 607 56 56 PHE CA C 53.965 0.300 1 608 56 56 PHE CB C 38.759 0.300 1 609 56 56 PHE CD1 C 132.906 0.300 1 610 56 56 PHE CD2 C 132.906 0.300 1 611 56 56 PHE CE1 C 130.439 0.300 1 612 56 56 PHE CE2 C 130.439 0.300 1 613 56 56 PHE CZ C 128.855 0.300 1 614 56 56 PHE N N 117.341 0.300 1 615 57 57 PRO HA H 4.514 0.030 1 616 57 57 PRO HB2 H 2.396 0.030 2 617 57 57 PRO HB3 H 1.983 0.030 2 618 57 57 PRO HD2 H 3.663 0.030 2 619 57 57 PRO HD3 H 3.337 0.030 2 620 57 57 PRO HG2 H 1.986 0.030 1 621 57 57 PRO HG3 H 1.986 0.030 1 622 57 57 PRO CA C 64.818 0.300 1 623 57 57 PRO CB C 32.192 0.300 1 624 57 57 PRO CD C 50.237 0.300 1 625 57 57 PRO CG C 27.332 0.300 1 626 58 58 ALA H H 8.619 0.030 1 627 58 58 ALA HA H 4.206 0.030 1 628 58 58 ALA HB H 1.470 0.030 1 629 58 58 ALA CA C 55.406 0.300 1 630 58 58 ALA CB C 18.353 0.300 1 631 58 58 ALA N N 120.173 0.300 1 632 59 59 ASP H H 7.515 0.030 1 633 59 59 ASP HA H 4.810 0.030 1 634 59 59 ASP HB2 H 3.093 0.030 2 635 59 59 ASP HB3 H 2.540 0.030 2 636 59 59 ASP CA C 52.659 0.300 1 637 59 59 ASP CB C 41.778 0.300 1 638 59 59 ASP N N 113.536 0.300 1 639 60 60 SER H H 8.392 0.030 1 640 60 60 SER HA H 4.176 0.030 1 641 60 60 SER HB2 H 4.137 0.030 2 642 60 60 SER HB3 H 3.951 0.030 2 643 60 60 SER CA C 60.221 0.300 1 644 60 60 SER CB C 62.050 0.300 1 645 60 60 SER N N 113.717 0.300 1 646 61 61 GLY H H 8.299 0.030 1 647 61 61 GLY HA2 H 4.005 0.030 2 648 61 61 GLY HA3 H 3.502 0.030 2 649 61 61 GLY CA C 45.554 0.300 1 650 61 61 GLY N N 104.225 0.300 1 651 62 62 LEU H H 7.927 0.030 1 652 62 62 LEU HA H 3.915 0.030 1 653 62 62 LEU HB2 H 1.748 0.030 2 654 62 62 LEU HB3 H 1.626 0.030 2 655 62 62 LEU HD1 H 0.926 0.030 1 656 62 62 LEU HD2 H 0.933 0.030 1 657 62 62 LEU HG H 1.590 0.030 1 658 62 62 LEU CA C 58.075 0.300 1 659 62 62 LEU CB C 41.731 0.300 1 660 62 62 LEU CD1 C 23.815 0.300 2 661 62 62 LEU CD2 C 25.646 0.300 2 662 62 62 LEU CG C 27.192 0.300 1 663 62 62 LEU N N 122.094 0.300 1 664 63 63 GLY H H 8.566 0.030 1 665 63 63 GLY HA2 H 3.847 0.030 2 666 63 63 GLY HA3 H 3.592 0.030 2 667 63 63 GLY CA C 47.146 0.300 1 668 63 63 GLY N N 105.732 0.300 1 669 64 64 LYS H H 7.509 0.030 1 670 64 64 LYS HA H 4.115 0.030 1 671 64 64 LYS HB2 H 1.905 0.030 2 672 64 64 LYS HB3 H 1.642 0.030 2 673 64 64 LYS HD2 H 1.367 0.030 2 674 64 64 LYS HD3 H 1.231 0.030 2 675 64 64 LYS HE2 H 2.599 0.030 2 676 64 64 LYS HE3 H 2.538 0.030 2 677 64 64 LYS HG2 H 1.188 0.030 2 678 64 64 LYS HG3 H 0.930 0.030 2 679 64 64 LYS C C 179.856 0.300 1 680 64 64 LYS CA C 57.768 0.300 1 681 64 64 LYS CB C 31.542 0.300 1 682 64 64 LYS CD C 27.950 0.300 1 683 64 64 LYS CE C 41.613 0.300 1 684 64 64 LYS CG C 23.976 0.300 1 685 64 64 LYS N N 120.697 0.300 1 686 65 65 LEU H H 7.544 0.030 1 687 65 65 LEU HA H 4.219 0.030 1 688 65 65 LEU HB2 H 1.955 0.030 2 689 65 65 LEU HB3 H 1.062 0.030 2 690 65 65 LEU HD1 H 0.696 0.030 1 691 65 65 LEU HD2 H 0.160 0.030 1 692 65 65 LEU HG H 1.323 0.030 1 693 65 65 LEU C C 178.606 0.300 1 694 65 65 LEU CA C 57.675 0.300 1 695 65 65 LEU CB C 41.040 0.300 1 696 65 65 LEU CD1 C 27.150 0.300 2 697 65 65 LEU CD2 C 21.753 0.300 2 698 65 65 LEU CG C 27.001 0.300 1 699 65 65 LEU N N 120.399 0.300 1 700 66 66 ILE H H 8.605 0.030 1 701 66 66 ILE HA H 3.271 0.030 1 702 66 66 ILE HB H 1.857 0.030 1 703 66 66 ILE HD1 H 0.664 0.030 1 704 66 66 ILE HG12 H 1.741 0.030 2 705 66 66 ILE HG13 H 0.825 0.030 2 706 66 66 ILE HG2 H 0.800 0.030 1 707 66 66 ILE C C 176.721 0.300 1 708 66 66 ILE CA C 67.612 0.300 1 709 66 66 ILE CB C 38.006 0.300 1 710 66 66 ILE CD1 C 13.496 0.300 1 711 66 66 ILE CG1 C 31.920 0.300 1 712 66 66 ILE CG2 C 18.016 0.300 1 713 66 66 ILE N N 121.170 0.300 1 714 67 67 GLU H H 8.157 0.030 1 715 67 67 GLU HA H 4.007 0.030 1 716 67 67 GLU HB2 H 2.094 0.030 2 717 67 67 GLU HB3 H 1.853 0.030 2 718 67 67 GLU HG2 H 2.402 0.030 2 719 67 67 GLU HG3 H 2.244 0.030 2 720 67 67 GLU C C 178.848 0.300 1 721 67 67 GLU CA C 59.476 0.300 1 722 67 67 GLU CB C 30.055 0.300 1 723 67 67 GLU CG C 36.588 0.300 1 724 67 67 GLU N N 118.066 0.300 1 725 68 68 PHE H H 7.673 0.030 1 726 68 68 PHE HA H 4.393 0.030 1 727 68 68 PHE HB2 H 3.409 0.030 2 728 68 68 PHE HB3 H 3.293 0.030 2 729 68 68 PHE HD1 H 7.225 0.030 1 730 68 68 PHE HD2 H 7.225 0.030 1 731 68 68 PHE HE1 H 7.097 0.030 1 732 68 68 PHE HE2 H 7.097 0.030 1 733 68 68 PHE HZ H 7.480 0.030 1 734 68 68 PHE C C 176.609 0.300 1 735 68 68 PHE CA C 60.660 0.300 1 736 68 68 PHE CB C 39.666 0.300 1 737 68 68 PHE CD1 C 132.789 0.300 1 738 68 68 PHE CD2 C 132.789 0.300 1 739 68 68 PHE CE1 C 130.589 0.300 1 740 68 68 PHE CE2 C 130.589 0.300 1 741 68 68 PHE CZ C 129.456 0.300 1 742 68 68 PHE N N 119.383 0.300 1 743 69 69 CYS H H 8.137 0.030 1 744 69 69 CYS HA H 3.714 0.030 1 745 69 69 CYS HB2 H 2.921 0.030 2 746 69 69 CYS HB3 H 2.858 0.030 2 747 69 69 CYS C C 175.221 0.300 1 748 69 69 CYS CA C 62.782 0.300 1 749 69 69 CYS CB C 26.732 0.300 1 750 69 69 CYS N N 115.218 0.300 1 751 70 70 GLU H H 8.108 0.030 1 752 70 70 GLU HA H 3.739 0.030 1 753 70 70 GLU HB2 H 2.112 0.030 2 754 70 70 GLU HB3 H 2.068 0.030 2 755 70 70 GLU HG2 H 2.452 0.030 2 756 70 70 GLU HG3 H 1.996 0.030 2 757 70 70 GLU C C 178.404 0.300 1 758 70 70 GLU CA C 58.839 0.300 1 759 70 70 GLU CB C 30.149 0.300 1 760 70 70 GLU CG C 37.727 0.300 1 761 70 70 GLU N N 113.937 0.300 1 762 71 71 GLU H H 7.306 0.030 1 763 71 71 GLU HA H 4.148 0.030 1 764 71 71 GLU HB2 H 2.122 0.030 2 765 71 71 GLU HB3 H 2.058 0.030 2 766 71 71 GLU HG2 H 2.386 0.030 2 767 71 71 GLU HG3 H 2.302 0.030 2 768 71 71 GLU C C 176.363 0.300 1 769 71 71 GLU CA C 56.943 0.300 1 770 71 71 GLU CB C 30.374 0.300 1 771 71 71 GLU CG C 36.284 0.300 1 772 71 71 GLU N N 117.591 0.300 1 773 72 72 VAL H H 7.055 0.030 1 774 72 72 VAL HA H 4.220 0.030 1 775 72 72 VAL HB H 1.539 0.030 1 776 72 72 VAL HG1 H 0.576 0.030 1 777 72 72 VAL HG2 H 0.389 0.030 1 778 72 72 VAL C C 174.906 0.300 1 779 72 72 VAL CA C 59.360 0.300 1 780 72 72 VAL CB C 33.462 0.300 1 781 72 72 VAL CG1 C 21.467 0.300 2 782 72 72 VAL CG2 C 19.977 0.300 2 783 72 72 VAL N N 122.531 0.300 1 784 73 73 PRO HA H 3.887 0.030 1 785 73 73 PRO HB2 H 2.329 0.030 2 786 73 73 PRO HB3 H 2.006 0.030 2 787 73 73 PRO HD2 H 4.133 0.030 2 788 73 73 PRO HD3 H 3.822 0.030 2 789 73 73 PRO HG2 H 2.210 0.030 2 790 73 73 PRO HG3 H 1.925 0.030 2 791 73 73 PRO C C 179.162 0.300 1 792 73 73 PRO CA C 66.658 0.300 1 793 73 73 PRO CB C 31.819 0.300 1 794 73 73 PRO CD C 50.406 0.300 1 795 73 73 PRO CG C 27.581 0.300 1 796 74 74 ALA H H 8.188 0.030 1 797 74 74 ALA HA H 4.217 0.030 1 798 74 74 ALA HB H 1.438 0.030 1 799 74 74 ALA C C 178.535 0.300 1 800 74 74 ALA CA C 54.149 0.300 1 801 74 74 ALA CB C 19.305 0.300 1 802 74 74 ALA N N 116.317 0.300 1 803 75 75 LEU H H 8.188 0.030 1 804 75 75 LEU HA H 4.607 0.030 1 805 75 75 LEU HB2 H 2.018 0.030 2 806 75 75 LEU HB3 H 1.483 0.030 2 807 75 75 LEU HD1 H 0.439 0.030 1 808 75 75 LEU HD2 H 0.672 0.030 1 809 75 75 LEU HG H 0.730 0.030 1 810 75 75 LEU C C 177.094 0.300 1 811 75 75 LEU CA C 53.645 0.300 1 812 75 75 LEU CB C 42.633 0.300 1 813 75 75 LEU CD1 C 26.179 0.300 2 814 75 75 LEU CD2 C 22.692 0.300 2 815 75 75 LEU CG C 26.701 0.300 1 816 75 75 LEU N N 116.296 0.300 1 817 76 76 ARG H H 7.332 0.030 1 818 76 76 ARG HA H 3.789 0.030 1 819 76 76 ARG HB2 H 1.883 0.030 2 820 76 76 ARG HB3 H 1.816 0.030 2 821 76 76 ARG HD2 H 3.187 0.030 1 822 76 76 ARG HD3 H 3.187 0.030 1 823 76 76 ARG HG2 H 1.885 0.030 2 824 76 76 ARG HG3 H 1.692 0.030 2 825 76 76 ARG C C 179.457 0.300 1 826 76 76 ARG CA C 60.815 0.300 1 827 76 76 ARG CB C 29.535 0.300 1 828 76 76 ARG CD C 43.504 0.300 1 829 76 76 ARG CG C 28.697 0.300 1 830 76 76 ARG N N 122.654 0.300 1 831 77 77 LYS H H 8.489 0.030 1 832 77 77 LYS HA H 4.118 0.030 1 833 77 77 LYS HB2 H 1.844 0.030 1 834 77 77 LYS HB3 H 1.844 0.030 1 835 77 77 LYS HD2 H 1.683 0.030 1 836 77 77 LYS HD3 H 1.683 0.030 1 837 77 77 LYS HE2 H 2.953 0.030 1 838 77 77 LYS HE3 H 2.953 0.030 1 839 77 77 LYS HG2 H 1.484 0.030 2 840 77 77 LYS HG3 H 1.418 0.030 2 841 77 77 LYS C C 179.135 0.300 1 842 77 77 LYS CA C 58.963 0.300 1 843 77 77 LYS CB C 31.113 0.300 1 844 77 77 LYS CD C 28.743 0.300 1 845 77 77 LYS CE C 42.138 0.300 1 846 77 77 LYS CG C 25.037 0.300 1 847 77 77 LYS N N 119.343 0.300 1 848 78 78 ARG H H 7.626 0.030 1 849 78 78 ARG HA H 3.931 0.030 1 850 78 78 ARG HB2 H 2.152 0.030 2 851 78 78 ARG HB3 H 2.108 0.030 2 852 78 78 ARG HD2 H 3.308 0.030 2 853 78 78 ARG HD3 H 3.064 0.030 2 854 78 78 ARG HG2 H 1.755 0.030 2 855 78 78 ARG HG3 H 1.666 0.030 2 856 78 78 ARG C C 178.200 0.300 1 857 78 78 ARG CA C 56.415 0.300 1 858 78 78 ARG CB C 27.010 0.300 1 859 78 78 ARG CD C 41.163 0.300 1 860 78 78 ARG CG C 24.630 0.300 1 861 78 78 ARG N N 120.202 0.300 1 862 79 79 ALA H H 8.138 0.030 1 863 79 79 ALA HA H 3.837 0.030 1 864 79 79 ALA HB H 1.457 0.030 1 865 79 79 ALA C C 178.684 0.300 1 866 79 79 ALA CA C 55.692 0.300 1 867 79 79 ALA CB C 18.376 0.300 1 868 79 79 ALA N N 120.388 0.300 1 869 80 80 GLU H H 7.437 0.030 1 870 80 80 GLU HA H 3.877 0.030 1 871 80 80 GLU HB2 H 2.165 0.030 1 872 80 80 GLU HB3 H 2.165 0.030 1 873 80 80 GLU HG2 H 2.434 0.030 2 874 80 80 GLU HG3 H 2.279 0.030 2 875 80 80 GLU C C 179.640 0.300 1 876 80 80 GLU CA C 59.370 0.300 1 877 80 80 GLU CB C 29.445 0.300 1 878 80 80 GLU CG C 36.090 0.300 1 879 80 80 GLU N N 115.384 0.300 1 880 81 81 ILE H H 7.721 0.030 1 881 81 81 ILE HA H 3.675 0.030 1 882 81 81 ILE HB H 1.851 0.030 1 883 81 81 ILE HD1 H 0.785 0.030 1 884 81 81 ILE HG12 H 1.722 0.030 2 885 81 81 ILE HG13 H 1.115 0.030 2 886 81 81 ILE HG2 H 0.894 0.030 1 887 81 81 ILE C C 178.179 0.300 1 888 81 81 ILE CA C 65.187 0.300 1 889 81 81 ILE CB C 38.471 0.300 1 890 81 81 ILE CD1 C 13.345 0.300 1 891 81 81 ILE CG1 C 29.117 0.300 1 892 81 81 ILE CG2 C 17.277 0.300 1 893 81 81 ILE N N 121.563 0.300 1 894 82 82 LEU H H 8.374 0.030 1 895 82 82 LEU HA H 3.930 0.030 1 896 82 82 LEU HB2 H 1.958 0.030 2 897 82 82 LEU HB3 H 1.075 0.030 2 898 82 82 LEU HD1 H 0.661 0.030 1 899 82 82 LEU HD2 H 0.753 0.030 1 900 82 82 LEU HG H 1.770 0.030 1 901 82 82 LEU C C 179.279 0.300 1 902 82 82 LEU CA C 58.038 0.300 1 903 82 82 LEU CB C 42.869 0.300 1 904 82 82 LEU CD1 C 27.238 0.300 2 905 82 82 LEU CD2 C 23.745 0.300 2 906 82 82 LEU CG C 26.935 0.300 1 907 82 82 LEU N N 119.839 0.300 1 908 83 83 LYS H H 8.153 0.030 1 909 83 83 LYS HA H 3.740 0.030 1 910 83 83 LYS HB2 H 1.868 0.030 2 911 83 83 LYS HB3 H 1.818 0.030 2 912 83 83 LYS HD2 H 1.636 0.030 2 913 83 83 LYS HD3 H 1.582 0.030 2 914 83 83 LYS HE2 H 2.676 0.030 1 915 83 83 LYS HE3 H 2.676 0.030 1 916 83 83 LYS HG2 H 1.724 0.030 2 917 83 83 LYS HG3 H 1.360 0.030 2 918 83 83 LYS C C 179.548 0.300 1 919 83 83 LYS CA C 60.433 0.300 1 920 83 83 LYS CB C 32.703 0.300 1 921 83 83 LYS CD C 29.638 0.300 1 922 83 83 LYS CE C 42.108 0.300 1 923 83 83 LYS CG C 27.306 0.300 1 924 83 83 LYS N N 117.092 0.300 1 925 84 84 LYS H H 7.705 0.030 1 926 84 84 LYS HA H 4.101 0.030 1 927 84 84 LYS HB2 H 2.035 0.030 2 928 84 84 LYS HB3 H 1.924 0.030 2 929 84 84 LYS HD2 H 1.643 0.030 2 930 84 84 LYS HD3 H 1.584 0.030 2 931 84 84 LYS HE2 H 3.090 0.030 2 932 84 84 LYS HE3 H 2.980 0.030 2 933 84 84 LYS HG2 H 1.499 0.030 2 934 84 84 LYS HG3 H 1.379 0.030 2 935 84 84 LYS C C 179.082 0.300 1 936 84 84 LYS CA C 59.120 0.300 1 937 84 84 LYS CB C 32.291 0.300 1 938 84 84 LYS CD C 29.463 0.300 1 939 84 84 LYS CE C 42.216 0.300 1 940 84 84 LYS CG C 24.933 0.300 1 941 84 84 LYS N N 121.473 0.300 1 942 85 85 GLU H H 8.567 0.030 1 943 85 85 GLU HA H 4.013 0.030 1 944 85 85 GLU HB2 H 2.058 0.030 2 945 85 85 GLU HB3 H 1.979 0.030 2 946 85 85 GLU HG2 H 2.551 0.030 2 947 85 85 GLU HG3 H 2.131 0.030 2 948 85 85 GLU CA C 59.360 0.300 1 949 85 85 GLU CB C 30.033 0.300 1 950 85 85 GLU CG C 37.059 0.300 1 951 85 85 GLU N N 119.645 0.300 1 952 86 86 ARG H H 8.467 0.030 1 953 86 86 ARG HA H 4.030 0.030 1 954 86 86 ARG HB2 H 2.064 0.030 2 955 86 86 ARG HB3 H 1.779 0.030 2 956 86 86 ARG HD2 H 3.217 0.030 2 957 86 86 ARG HD3 H 2.904 0.030 2 958 86 86 ARG HG2 H 1.710 0.030 2 959 86 86 ARG HG3 H 1.656 0.030 2 960 86 86 ARG C C 177.790 0.300 1 961 86 86 ARG CA C 58.556 0.300 1 962 86 86 ARG CB C 30.377 0.300 1 963 86 86 ARG CD C 44.012 0.300 1 964 86 86 ARG CG C 25.838 0.300 1 965 86 86 ARG N N 119.408 0.300 1 966 87 87 SER H H 7.851 0.030 1 967 87 87 SER HA H 4.369 0.030 1 968 87 87 SER HB2 H 4.002 0.030 1 969 87 87 SER HB3 H 4.002 0.030 1 970 87 87 SER C C 175.282 0.300 1 971 87 87 SER CA C 60.271 0.300 1 972 87 87 SER CB C 63.601 0.300 1 973 87 87 SER N N 115.071 0.300 1 974 88 88 GLU H H 7.891 0.030 1 975 88 88 GLU HA H 4.316 0.030 1 976 88 88 GLU HB2 H 2.119 0.030 2 977 88 88 GLU HB3 H 1.985 0.030 2 978 88 88 GLU HG2 H 2.396 0.030 2 979 88 88 GLU HG3 H 2.258 0.030 2 980 88 88 GLU C C 176.801 0.300 1 981 88 88 GLU CA C 57.036 0.300 1 982 88 88 GLU CB C 30.024 0.300 1 983 88 88 GLU CG C 36.452 0.300 1 984 88 88 GLU N N 121.067 0.300 1 985 89 89 SER H H 7.934 0.030 1 986 89 89 SER HA H 4.503 0.030 1 987 89 89 SER HB2 H 3.909 0.030 1 988 89 89 SER HB3 H 3.909 0.030 1 989 89 89 SER C C 174.624 0.300 1 990 89 89 SER CA C 58.875 0.300 1 991 89 89 SER CB C 64.040 0.300 1 992 89 89 SER N N 115.241 0.300 1 993 90 90 GLY H H 8.062 0.030 1 994 90 90 GLY HA2 H 4.210 0.030 2 995 90 90 GLY HA3 H 4.083 0.030 2 996 90 90 GLY C C 171.774 0.300 1 997 90 90 GLY CA C 44.872 0.300 1 998 90 90 GLY N N 110.384 0.300 1 999 91 91 PRO HA H 4.495 0.030 1 1000 91 91 PRO HB2 H 2.297 0.030 2 1001 91 91 PRO HB3 H 1.983 0.030 2 1002 91 91 PRO HD2 H 3.639 0.030 1 1003 91 91 PRO HD3 H 3.639 0.030 1 1004 91 91 PRO HG2 H 2.017 0.030 1 1005 91 91 PRO HG3 H 2.017 0.030 1 1006 91 91 PRO C C 177.475 0.300 1 1007 91 91 PRO CA C 63.295 0.300 1 1008 91 91 PRO CB C 32.234 0.300 1 1009 91 91 PRO CD C 49.867 0.300 1 1010 91 91 PRO CG C 27.226 0.300 1 1011 92 92 SER H H 8.557 0.030 1 1012 92 92 SER HA H 4.575 0.030 1 1013 92 92 SER HB2 H 3.919 0.030 1 1014 92 92 SER HB3 H 3.919 0.030 1 1015 92 92 SER C C 174.736 0.300 1 1016 92 92 SER CA C 58.380 0.300 1 1017 92 92 SER CB C 64.221 0.300 1 1018 92 92 SER N N 116.520 0.300 1 stop_ save_