data_10065 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) ; _BMRB_accession_number 10065 _BMRB_flat_file_name bmr10065.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-26 _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 Tochio N. . . 2 Kobayashi N. . . 3 Koshiba S. . . 4 Kigawa T. . . 5 Inoue M. . . 6 Shirouzu M. . . 7 Terada T. . . 8 Yabuki T. . . 9 Aoki M. . . 10 Seki E. . . 11 Matsuda T. . . 12 Hirota H. . . 13 Yoshida M. . . 14 Tanaka A. . . 15 Osanai T. . . 16 Matsuo Y. . . 17 Arakawa T. . . 18 Carninci P. . . 19 Kawai J. . . 20 Hayashizaki Y. . . 21 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" 522 "13C chemical shifts" 390 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) ; _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 Tochio N. . . 2 Kobayashi N. . . 3 Koshiba S. . . 4 Kigawa T. . . 5 Inoue M. . . 6 Shirouzu M. . . 7 Terada T. . . 8 Yabuki T. . . 9 Aoki M. . . 10 Seki E. . . 11 Matsuda T. . . 12 Hirota H. . . 13 Yoshida M. . . 14 Tanaka A. . . 15 Osanai T. . . 16 Matsuo Y. . . 17 Arakawa T. . . 18 Carninci P. . . 19 Kawai J. . . 20 Hayashizaki Y. . . 21 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 'putative nuclear protein homolog 5830484A20Rik' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'putative nuclear protein homolog 5830484A20Rik' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SAND DOMAIN' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GSSGSSGNDAVDFSPTLPVT CGKAKGTLFQEKLKQGASKK CIQNEAGDWLTVKEFLNEGG RATSKDWKGVIRCNGETLRH LEQKGLLFSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 ASP 10 ALA 11 VAL 12 ASP 13 PHE 14 SER 15 PRO 16 THR 17 LEU 18 PRO 19 VAL 20 THR 21 CYS 22 GLY 23 LYS 24 ALA 25 LYS 26 GLY 27 THR 28 LEU 29 PHE 30 GLN 31 GLU 32 LYS 33 LEU 34 LYS 35 GLN 36 GLY 37 ALA 38 SER 39 LYS 40 LYS 41 CYS 42 ILE 43 GLN 44 ASN 45 GLU 46 ALA 47 GLY 48 ASP 49 TRP 50 LEU 51 THR 52 VAL 53 LYS 54 GLU 55 PHE 56 LEU 57 ASN 58 GLU 59 GLY 60 GLY 61 ARG 62 ALA 63 THR 64 SER 65 LYS 66 ASP 67 TRP 68 LYS 69 GLY 70 VAL 71 ILE 72 ARG 73 CYS 74 ASN 75 GLY 76 GLU 77 THR 78 LEU 79 ARG 80 HIS 81 LEU 82 GLU 83 GLN 84 LYS 85 GLY 86 LEU 87 LEU 88 PHE 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 1UFN "Solution Structure Of The Sand Domain Of The Putative Nuclear Protein Homolog (5830484a20rik)" 100.00 94 100.00 100.00 5.42e-60 DBJ BAC37018 "unnamed protein product [Mus musculus]" 88.30 445 97.59 98.80 3.20e-50 DBJ BAE29505 "unnamed protein product [Mus musculus]" 88.30 445 97.59 98.80 3.83e-50 GB AAH94500 "Sp110 protein [Mus musculus]" 88.30 445 97.59 98.80 3.20e-50 GB AAW32543 "intracellular pathogen resistance 1 [Mus musculus]" 88.30 445 97.59 98.80 3.20e-50 REF NP_084470 "sp110 nuclear body protein [Mus musculus]" 88.30 445 97.59 98.80 3.20e-50 REF NP_780606 "sp110 nuclear body protein [Mus musculus]" 88.30 445 97.59 98.80 3.20e-50 REF XP_006529132 "PREDICTED: sp110 nuclear body protein isoform X1 [Mus musculus]" 88.30 449 97.59 98.80 3.07e-50 REF XP_011246199 "PREDICTED: sp110 nuclear body protein isoform X1 [Mus musculus]" 88.30 449 97.59 98.80 3.07e-50 REF XP_011246200 "PREDICTED: sp110 nuclear body protein isoform X1 [Mus musculus]" 88.30 449 97.59 98.80 3.07e-50 SP Q8BVK9 "RecName: Full=Sp110 nuclear body protein; AltName: Full=Intracellular pathogen resistance protein 1" 88.30 445 97.59 98.80 3.20e-50 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 P021030-59 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 1.3 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.14 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 6.0 0.05 pH pressure 1 0.001 atm temperature 298 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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 'putative nuclear protein homolog 5830484A20Rik' _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 3 3 SER HA H 4.519 0.030 1 2 3 3 SER HB2 H 3.937 0.030 1 3 3 3 SER HB3 H 3.937 0.030 1 4 3 3 SER C C 175.060 0.300 1 5 3 3 SER CA C 58.665 0.300 1 6 3 3 SER CB C 64.035 0.300 1 7 4 4 GLY H H 8.480 0.030 1 8 4 4 GLY HA2 H 4.040 0.030 1 9 4 4 GLY HA3 H 4.040 0.030 1 10 4 4 GLY C C 174.309 0.300 1 11 4 4 GLY CA C 45.406 0.300 1 12 4 4 GLY N N 111.007 0.300 1 13 5 5 SER H H 8.285 0.030 1 14 5 5 SER C C 174.891 0.300 1 15 5 5 SER CA C 58.233 0.300 1 16 5 5 SER CB C 64.071 0.300 1 17 5 5 SER N N 115.822 0.300 1 18 6 6 SER HA H 4.506 0.030 1 19 6 6 SER HB2 H 3.924 0.030 1 20 6 6 SER HB3 H 3.924 0.030 1 21 6 6 SER C C 175.012 0.300 1 22 6 6 SER CA C 58.665 0.300 1 23 6 6 SER CB C 64.035 0.300 1 24 7 7 GLY H H 8.426 0.030 1 25 7 7 GLY HA2 H 4.015 0.030 2 26 7 7 GLY HA3 H 3.967 0.030 2 27 7 7 GLY C C 174.043 0.300 1 28 7 7 GLY CA C 45.390 0.300 1 29 7 7 GLY N N 110.603 0.300 1 30 8 8 ASN H H 8.330 0.030 1 31 8 8 ASN HA H 4.744 0.030 1 32 8 8 ASN HB2 H 2.834 0.030 2 33 8 8 ASN HB3 H 2.707 0.030 2 34 8 8 ASN HD21 H 7.565 0.030 2 35 8 8 ASN HD22 H 6.893 0.030 2 36 8 8 ASN C C 174.988 0.300 1 37 8 8 ASN CA C 53.282 0.300 1 38 8 8 ASN CB C 39.075 0.300 1 39 8 8 ASN N N 118.784 0.300 1 40 8 8 ASN ND2 N 112.765 0.300 1 41 9 9 ASP H H 8.357 0.030 1 42 9 9 ASP HA H 4.574 0.030 1 43 9 9 ASP HB2 H 2.696 0.030 2 44 9 9 ASP HB3 H 2.632 0.030 2 45 9 9 ASP C C 175.908 0.300 1 46 9 9 ASP CA C 54.514 0.300 1 47 9 9 ASP CB C 41.153 0.300 1 48 9 9 ASP N N 120.682 0.300 1 49 10 10 ALA H H 8.147 0.030 1 50 10 10 ALA HA H 4.335 0.030 1 51 10 10 ALA HB H 1.390 0.030 1 52 10 10 ALA C C 177.750 0.300 1 53 10 10 ALA CA C 52.572 0.300 1 54 10 10 ALA CB C 19.306 0.300 1 55 10 10 ALA N N 123.815 0.300 1 56 11 11 VAL H H 8.035 0.030 1 57 11 11 VAL HA H 4.090 0.030 1 58 11 11 VAL HB H 2.041 0.030 1 59 11 11 VAL HG1 H 0.904 0.030 1 60 11 11 VAL HG2 H 0.868 0.030 1 61 11 11 VAL C C 175.666 0.300 1 62 11 11 VAL CA C 62.219 0.300 1 63 11 11 VAL CB C 32.929 0.300 1 64 11 11 VAL CG1 C 20.442 0.300 2 65 11 11 VAL CG2 C 21.264 0.300 2 66 11 11 VAL N N 118.784 0.300 1 67 12 12 ASP H H 8.268 0.030 1 68 12 12 ASP HA H 4.610 0.030 1 69 12 12 ASP HB2 H 2.652 0.030 2 70 12 12 ASP HB3 H 2.540 0.030 2 71 12 12 ASP C C 175.545 0.300 1 72 12 12 ASP CA C 54.127 0.300 1 73 12 12 ASP CB C 41.259 0.300 1 74 12 12 ASP N N 123.135 0.300 1 75 13 13 PHE H H 8.100 0.030 1 76 13 13 PHE HA H 4.614 0.030 1 77 13 13 PHE HB2 H 3.057 0.030 1 78 13 13 PHE HB3 H 3.057 0.030 1 79 13 13 PHE HD1 H 7.208 0.030 1 80 13 13 PHE HD2 H 7.208 0.030 1 81 13 13 PHE C C 175.254 0.300 1 82 13 13 PHE CA C 57.715 0.300 1 83 13 13 PHE CB C 39.824 0.300 1 84 13 13 PHE CD1 C 131.906 0.300 1 85 13 13 PHE CD2 C 131.906 0.300 1 86 13 13 PHE N N 120.899 0.300 1 87 14 14 SER H H 8.352 0.030 1 88 14 14 SER C C 172.589 0.300 1 89 14 14 SER CA C 55.849 0.300 1 90 14 14 SER CB C 64.235 0.300 1 91 14 14 SER N N 120.401 0.300 1 92 15 15 PRO HA H 4.438 0.030 1 93 15 15 PRO HB2 H 2.433 0.030 2 94 15 15 PRO HB3 H 2.070 0.030 2 95 15 15 PRO HG2 H 2.107 0.030 1 96 15 15 PRO HG3 H 2.107 0.030 1 97 15 15 PRO HD2 H 3.835 0.030 2 98 15 15 PRO HD3 H 3.733 0.030 2 99 15 15 PRO C C 177.338 0.300 1 100 15 15 PRO CA C 64.187 0.300 1 101 15 15 PRO CB C 32.212 0.300 1 102 15 15 PRO CG C 27.610 0.300 1 103 15 15 PRO CD C 50.939 0.300 1 104 16 16 THR H H 7.763 0.030 1 105 16 16 THR HA H 5.221 0.030 1 106 16 16 THR HB H 3.497 0.030 1 107 16 16 THR HG2 H 0.343 0.030 1 108 16 16 THR C C 173.800 0.300 1 109 16 16 THR CA C 58.630 0.300 1 110 16 16 THR CB C 71.764 0.300 1 111 16 16 THR CG2 C 21.317 0.300 1 112 16 16 THR N N 110.697 0.300 1 113 17 17 LEU H H 8.617 0.030 1 114 17 17 LEU HA H 5.000 0.030 1 115 17 17 LEU HB2 H 1.669 0.030 2 116 17 17 LEU HB3 H 1.476 0.030 2 117 17 17 LEU HG H 1.543 0.030 1 118 17 17 LEU HD1 H 0.968 0.030 1 119 17 17 LEU HD2 H 0.816 0.030 1 120 17 17 LEU C C 173.873 0.300 1 121 17 17 LEU CA C 51.585 0.300 1 122 17 17 LEU CB C 45.495 0.300 1 123 17 17 LEU CG C 26.967 0.300 1 124 17 17 LEU CD1 C 23.666 0.300 2 125 17 17 LEU CD2 C 26.153 0.300 2 126 17 17 LEU N N 120.401 0.300 1 127 18 18 PRO HA H 4.979 0.030 1 128 18 18 PRO HB2 H 2.236 0.030 2 129 18 18 PRO HB3 H 2.099 0.030 2 130 18 18 PRO HG2 H 2.423 0.030 2 131 18 18 PRO HG3 H 2.142 0.030 2 132 18 18 PRO HD2 H 3.865 0.030 2 133 18 18 PRO HD3 H 3.644 0.030 2 134 18 18 PRO C C 177.483 0.300 1 135 18 18 PRO CA C 62.535 0.300 1 136 18 18 PRO CB C 31.302 0.300 1 137 18 18 PRO CG C 27.369 0.300 1 138 18 18 PRO CD C 50.550 0.300 1 139 19 19 VAL H H 8.868 0.030 1 140 19 19 VAL HA H 5.886 0.030 1 141 19 19 VAL HB H 2.207 0.030 1 142 19 19 VAL HG1 H 0.802 0.030 1 143 19 19 VAL HG2 H 0.375 0.030 1 144 19 19 VAL C C 176.538 0.300 1 145 19 19 VAL CA C 58.425 0.300 1 146 19 19 VAL CB C 36.819 0.300 1 147 19 19 VAL CG1 C 23.335 0.300 2 148 19 19 VAL CG2 C 18.623 0.300 2 149 19 19 VAL N N 117.166 0.300 1 150 20 20 THR H H 9.345 0.030 1 151 20 20 THR HA H 5.426 0.030 1 152 20 20 THR HB H 4.266 0.030 1 153 20 20 THR HG2 H 1.242 0.030 1 154 20 20 THR C C 174.115 0.300 1 155 20 20 THR CA C 59.932 0.300 1 156 20 20 THR CB C 72.833 0.300 1 157 20 20 THR CG2 C 22.045 0.300 1 158 20 20 THR N N 111.595 0.300 1 159 21 21 CYS H H 8.273 0.030 1 160 21 21 CYS HA H 4.505 0.030 1 161 21 21 CYS HB2 H 2.633 0.030 2 162 21 21 CYS HB3 H 1.793 0.030 2 163 21 21 CYS C C 174.164 0.300 1 164 21 21 CYS CA C 59.087 0.300 1 165 21 21 CYS CB C 27.676 0.300 1 166 21 21 CYS N N 121.723 0.300 1 167 22 22 GLY H H 8.968 0.030 1 168 22 22 GLY HA2 H 4.194 0.030 2 169 22 22 GLY HA3 H 3.704 0.030 2 170 22 22 GLY C C 175.642 0.300 1 171 22 22 GLY CA C 47.027 0.300 1 172 22 22 GLY N N 117.979 0.300 1 173 23 23 LYS H H 8.898 0.030 1 174 23 23 LYS HA H 4.349 0.030 1 175 23 23 LYS HB2 H 1.961 0.030 2 176 23 23 LYS HB3 H 1.866 0.030 2 177 23 23 LYS HG2 H 1.475 0.030 1 178 23 23 LYS HG3 H 1.475 0.030 1 179 23 23 LYS HD2 H 1.729 0.030 1 180 23 23 LYS HD3 H 1.729 0.030 1 181 23 23 LYS HE2 H 3.033 0.030 1 182 23 23 LYS HE3 H 3.033 0.030 1 183 23 23 LYS C C 176.054 0.300 1 184 23 23 LYS CA C 56.942 0.300 1 185 23 23 LYS CB C 32.708 0.300 1 186 23 23 LYS CG C 24.617 0.300 1 187 23 23 LYS CD C 29.172 0.300 1 188 23 23 LYS CE C 42.164 0.300 1 189 23 23 LYS N N 126.591 0.300 1 190 24 24 ALA H H 8.352 0.030 1 191 24 24 ALA HA H 4.577 0.030 1 192 24 24 ALA HB H 0.995 0.030 1 193 24 24 ALA C C 176.708 0.300 1 194 24 24 ALA CA C 51.973 0.300 1 195 24 24 ALA CB C 20.481 0.300 1 196 24 24 ALA N N 124.418 0.300 1 197 25 25 LYS H H 8.517 0.030 1 198 25 25 LYS HA H 5.332 0.030 1 199 25 25 LYS HB2 H 1.964 0.030 2 200 25 25 LYS HB3 H 1.765 0.030 2 201 25 25 LYS HG2 H 1.487 0.030 2 202 25 25 LYS HG3 H 1.441 0.030 2 203 25 25 LYS HD2 H 1.690 0.030 1 204 25 25 LYS HD3 H 1.690 0.030 1 205 25 25 LYS HE2 H 2.980 0.030 1 206 25 25 LYS HE3 H 2.980 0.030 1 207 25 25 LYS C C 175.545 0.300 1 208 25 25 LYS CA C 55.323 0.300 1 209 25 25 LYS CB C 36.408 0.300 1 210 25 25 LYS CG C 24.897 0.300 1 211 25 25 LYS CD C 29.309 0.300 1 212 25 25 LYS CE C 42.113 0.300 1 213 25 25 LYS N N 121.011 0.300 1 214 26 26 GLY H H 8.691 0.030 1 215 26 26 GLY HA2 H 4.438 0.030 2 216 26 26 GLY HA3 H 3.357 0.030 2 217 26 26 GLY C C 171.547 0.300 1 218 26 26 GLY CA C 45.922 0.300 1 219 26 26 GLY N N 107.533 0.300 1 220 27 27 THR H H 8.718 0.030 1 221 27 27 THR HA H 4.765 0.030 1 222 27 27 THR HB H 3.935 0.030 1 223 27 27 THR HG2 H 0.742 0.030 1 224 27 27 THR C C 172.419 0.300 1 225 27 27 THR CA C 61.972 0.300 1 226 27 27 THR CB C 70.695 0.300 1 227 27 27 THR CG2 C 22.101 0.300 1 228 27 27 THR N N 118.301 0.300 1 229 28 28 LEU H H 9.656 0.030 1 230 28 28 LEU HA H 4.778 0.030 1 231 28 28 LEU HB2 H 1.922 0.030 2 232 28 28 LEU HB3 H 1.273 0.030 2 233 28 28 LEU HG H 1.410 0.030 1 234 28 28 LEU HD1 H 0.891 0.030 1 235 28 28 LEU HD2 H 0.864 0.030 1 236 28 28 LEU C C 174.988 0.300 1 237 28 28 LEU CA C 54.584 0.300 1 238 28 28 LEU CB C 44.783 0.300 1 239 28 28 LEU CG C 28.085 0.300 1 240 28 28 LEU CD1 C 24.947 0.300 2 241 28 28 LEU CD2 C 25.926 0.300 2 242 28 28 LEU N N 129.165 0.300 1 243 29 29 PHE H H 9.227 0.030 1 244 29 29 PHE HA H 4.773 0.030 1 245 29 29 PHE HB2 H 3.309 0.030 2 246 29 29 PHE HB3 H 3.127 0.030 2 247 29 29 PHE HD1 H 7.451 0.030 1 248 29 29 PHE HD2 H 7.451 0.030 1 249 29 29 PHE HE1 H 7.216 0.030 1 250 29 29 PHE HE2 H 7.216 0.030 1 251 29 29 PHE HZ H 7.307 0.030 1 252 29 29 PHE C C 176.974 0.300 1 253 29 29 PHE CA C 57.328 0.300 1 254 29 29 PHE CB C 38.052 0.300 1 255 29 29 PHE CD1 C 131.931 0.300 1 256 29 29 PHE CD2 C 131.931 0.300 1 257 29 29 PHE CE1 C 132.160 0.300 1 258 29 29 PHE CE2 C 132.160 0.300 1 259 29 29 PHE CZ C 130.372 0.300 1 260 29 29 PHE N N 128.178 0.300 1 261 30 30 GLN H H 8.369 0.030 1 262 30 30 GLN HA H 3.898 0.030 1 263 30 30 GLN HB2 H 2.213 0.030 2 264 30 30 GLN HB3 H 2.083 0.030 2 265 30 30 GLN HG2 H 2.357 0.030 2 266 30 30 GLN HG3 H 2.038 0.030 2 267 30 30 GLN HE21 H 7.417 0.030 2 268 30 30 GLN HE22 H 6.753 0.030 2 269 30 30 GLN C C 177.725 0.300 1 270 30 30 GLN CA C 61.374 0.300 1 271 30 30 GLN CB C 29.526 0.300 1 272 30 30 GLN CG C 34.846 0.300 1 273 30 30 GLN N N 125.152 0.300 1 274 30 30 GLN NE2 N 111.016 0.300 1 275 31 31 GLU H H 9.854 0.030 1 276 31 31 GLU HA H 4.110 0.030 1 277 31 31 GLU HB2 H 2.133 0.030 1 278 31 31 GLU HB3 H 2.133 0.030 1 279 31 31 GLU HG2 H 2.449 0.030 2 280 31 31 GLU HG3 H 2.352 0.030 2 281 31 31 GLU C C 178.791 0.300 1 282 31 31 GLU CA C 59.193 0.300 1 283 31 31 GLU CB C 29.337 0.300 1 284 31 31 GLU CG C 36.408 0.300 1 285 31 31 GLU N N 118.065 0.300 1 286 32 32 LYS H H 7.110 0.030 1 287 32 32 LYS HA H 4.226 0.030 1 288 32 32 LYS HB2 H 2.003 0.030 2 289 32 32 LYS HB3 H 1.895 0.030 2 290 32 32 LYS HG2 H 1.500 0.030 2 291 32 32 LYS HG3 H 1.387 0.030 2 292 32 32 LYS HD2 H 1.417 0.030 2 293 32 32 LYS HD3 H 1.334 0.030 2 294 32 32 LYS HE2 H 2.477 0.030 2 295 32 32 LYS HE3 H 2.343 0.030 2 296 32 32 LYS C C 178.040 0.300 1 297 32 32 LYS CA C 58.525 0.300 1 298 32 32 LYS CB C 32.955 0.300 1 299 32 32 LYS CG C 26.387 0.300 1 300 32 32 LYS CD C 28.994 0.300 1 301 32 32 LYS CE C 41.835 0.300 1 302 32 32 LYS N N 116.354 0.300 1 303 33 33 LEU H H 7.587 0.030 1 304 33 33 LEU HA H 4.227 0.030 1 305 33 33 LEU HB2 H 1.996 0.030 2 306 33 33 LEU HB3 H 1.665 0.030 2 307 33 33 LEU HG H 1.788 0.030 1 308 33 33 LEU HD1 H 1.101 0.030 1 309 33 33 LEU HD2 H 0.993 0.030 1 310 33 33 LEU C C 178.816 0.300 1 311 33 33 LEU CA C 56.942 0.300 1 312 33 33 LEU CB C 41.753 0.300 1 313 33 33 LEU CG C 27.446 0.300 1 314 33 33 LEU CD1 C 26.295 0.300 2 315 33 33 LEU CD2 C 22.984 0.300 2 316 33 33 LEU N N 120.760 0.300 1 317 34 34 LYS H H 7.768 0.030 1 318 34 34 LYS HA H 3.885 0.030 1 319 34 34 LYS HB2 H 1.816 0.030 1 320 34 34 LYS HB3 H 1.816 0.030 1 321 34 34 LYS HG2 H 1.396 0.030 2 322 34 34 LYS HG3 H 1.295 0.030 2 323 34 34 LYS HD2 H 1.573 0.030 1 324 34 34 LYS HD3 H 1.573 0.030 1 325 34 34 LYS HE2 H 2.819 0.030 1 326 34 34 LYS HE3 H 2.819 0.030 1 327 34 34 LYS C C 177.532 0.300 1 328 34 34 LYS CA C 58.665 0.300 1 329 34 34 LYS CB C 32.626 0.300 1 330 34 34 LYS CG C 25.254 0.300 1 331 34 34 LYS CD C 29.501 0.300 1 332 34 34 LYS CE C 41.999 0.300 1 333 34 34 LYS N N 117.820 0.300 1 334 35 35 GLN H H 7.299 0.030 1 335 35 35 GLN HA H 4.224 0.030 1 336 35 35 GLN HB2 H 2.249 0.030 2 337 35 35 GLN HB3 H 2.154 0.030 2 338 35 35 GLN HG2 H 2.586 0.030 2 339 35 35 GLN HG3 H 2.423 0.030 2 340 35 35 GLN HE21 H 7.484 0.030 2 341 35 35 GLN HE22 H 6.871 0.030 2 342 35 35 GLN C C 176.562 0.300 1 343 35 35 GLN CA C 56.694 0.300 1 344 35 35 GLN CB C 28.844 0.300 1 345 35 35 GLN CG C 34.024 0.300 1 346 35 35 GLN N N 114.983 0.300 1 347 35 35 GLN NE2 N 111.963 0.300 1 348 36 36 GLY H H 7.677 0.030 1 349 36 36 GLY HA2 H 4.464 0.030 2 350 36 36 GLY HA3 H 3.822 0.030 2 351 36 36 GLY C C 173.219 0.300 1 352 36 36 GLY CA C 45.568 0.300 1 353 36 36 GLY N N 108.769 0.300 1 354 37 37 ALA H H 8.519 0.030 1 355 37 37 ALA HA H 4.096 0.030 1 356 37 37 ALA HB H 1.311 0.030 1 357 37 37 ALA C C 178.743 0.300 1 358 37 37 ALA CA C 54.061 0.300 1 359 37 37 ALA CB C 18.336 0.300 1 360 37 37 ALA N N 123.572 0.300 1 361 38 38 SER H H 8.261 0.030 1 362 38 38 SER HA H 4.455 0.030 1 363 38 38 SER HB2 H 4.048 0.030 2 364 38 38 SER HB3 H 3.919 0.030 2 365 38 38 SER C C 174.115 0.300 1 366 38 38 SER CA C 58.349 0.300 1 367 38 38 SER CB C 63.321 0.300 1 368 38 38 SER N N 111.876 0.300 1 369 39 39 LYS H H 7.492 0.030 1 370 39 39 LYS HA H 4.290 0.030 1 371 39 39 LYS HB2 H 1.878 0.030 2 372 39 39 LYS HB3 H 1.674 0.030 2 373 39 39 LYS HG2 H 1.375 0.030 2 374 39 39 LYS HG3 H 1.297 0.030 2 375 39 39 LYS HD2 H 1.560 0.030 1 376 39 39 LYS HD3 H 1.560 0.030 1 377 39 39 LYS HE2 H 2.912 0.030 2 378 39 39 LYS HE3 H 2.861 0.030 2 379 39 39 LYS C C 177.386 0.300 1 380 39 39 LYS CA C 54.338 0.300 1 381 39 39 LYS CB C 32.320 0.300 1 382 39 39 LYS CG C 24.897 0.300 1 383 39 39 LYS CD C 27.907 0.300 1 384 39 39 LYS CE C 42.375 0.300 1 385 39 39 LYS N N 120.817 0.300 1 386 40 40 LYS H H 8.517 0.030 1 387 40 40 LYS HA H 3.846 0.030 1 388 40 40 LYS HB2 H 1.846 0.030 2 389 40 40 LYS HB3 H 1.484 0.030 2 390 40 40 LYS HG2 H 1.522 0.030 2 391 40 40 LYS HG3 H 1.443 0.030 2 392 40 40 LYS HD2 H 1.733 0.030 2 393 40 40 LYS HD3 H 1.463 0.030 2 394 40 40 LYS HE2 H 3.098 0.030 1 395 40 40 LYS HE3 H 3.098 0.030 1 396 40 40 LYS C C 176.199 0.300 1 397 40 40 LYS CA C 56.449 0.300 1 398 40 40 LYS CB C 32.272 0.300 1 399 40 40 LYS CG C 24.746 0.300 1 400 40 40 LYS CD C 29.704 0.300 1 401 40 40 LYS CE C 42.039 0.300 1 402 40 40 LYS N N 121.174 0.300 1 403 41 41 CYS H H 8.195 0.030 1 404 41 41 CYS HA H 4.932 0.030 1 405 41 41 CYS HB2 H 3.153 0.030 2 406 41 41 CYS HB3 H 2.512 0.030 2 407 41 41 CYS C C 171.693 0.300 1 408 41 41 CYS CA C 57.082 0.300 1 409 41 41 CYS CB C 29.825 0.300 1 410 41 41 CYS N N 116.268 0.300 1 411 42 42 ILE H H 8.842 0.030 1 412 42 42 ILE HA H 5.248 0.030 1 413 42 42 ILE HB H 1.286 0.030 1 414 42 42 ILE HG12 H 1.789 0.030 2 415 42 42 ILE HG13 H 0.383 0.030 2 416 42 42 ILE HG2 H -0.183 0.030 1 417 42 42 ILE HD1 H 0.387 0.030 1 418 42 42 ILE C C 173.752 0.300 1 419 42 42 ILE CA C 59.510 0.300 1 420 42 42 ILE CB C 41.882 0.300 1 421 42 42 ILE CG1 C 29.788 0.300 1 422 42 42 ILE CG2 C 16.255 0.300 1 423 42 42 ILE CD1 C 14.040 0.300 1 424 42 42 ILE N N 126.199 0.300 1 425 43 43 GLN H H 8.771 0.030 1 426 43 43 GLN HA H 4.882 0.030 1 427 43 43 GLN HB2 H 1.572 0.030 2 428 43 43 GLN HB3 H 0.195 0.030 2 429 43 43 GLN HG2 H 1.446 0.030 2 430 43 43 GLN HG3 H 0.528 0.030 2 431 43 43 GLN HE21 H 6.570 0.030 2 432 43 43 GLN HE22 H 6.289 0.030 2 433 43 43 GLN C C 177.556 0.300 1 434 43 43 GLN CA C 53.001 0.300 1 435 43 43 GLN CB C 30.715 0.300 1 436 43 43 GLN CG C 33.201 0.300 1 437 43 43 GLN N N 127.011 0.300 1 438 43 43 GLN NE2 N 110.172 0.300 1 439 44 44 ASN H H 8.725 0.030 1 440 44 44 ASN HA H 4.949 0.030 1 441 44 44 ASN HB2 H 3.978 0.030 2 442 44 44 ASN HB3 H 2.839 0.030 2 443 44 44 ASN HD21 H 8.841 0.030 2 444 44 44 ASN HD22 H 7.557 0.030 2 445 44 44 ASN C C 176.611 0.300 1 446 44 44 ASN CA C 51.770 0.300 1 447 44 44 ASN CB C 38.218 0.300 1 448 44 44 ASN N N 126.331 0.300 1 449 44 44 ASN ND2 N 112.990 0.300 1 450 45 45 GLU H H 8.471 0.030 1 451 45 45 GLU HA H 3.964 0.030 1 452 45 45 GLU HB2 H 2.061 0.030 1 453 45 45 GLU HB3 H 2.061 0.030 1 454 45 45 GLU HG2 H 2.372 0.030 2 455 45 45 GLU HG3 H 2.234 0.030 2 456 45 45 GLU C C 177.071 0.300 1 457 45 45 GLU CA C 59.474 0.300 1 458 45 45 GLU CB C 29.584 0.300 1 459 45 45 GLU CG C 37.064 0.300 1 460 45 45 GLU N N 119.012 0.300 1 461 46 46 ALA H H 7.505 0.030 1 462 46 46 ALA HA H 4.310 0.030 1 463 46 46 ALA HB H 1.446 0.030 1 464 46 46 ALA C C 177.725 0.300 1 465 46 46 ALA CA C 52.471 0.300 1 466 46 46 ALA CB C 18.881 0.300 1 467 46 46 ALA N N 120.041 0.300 1 468 47 47 GLY H H 7.875 0.030 1 469 47 47 GLY HA2 H 4.273 0.030 2 470 47 47 GLY HA3 H 3.332 0.030 2 471 47 47 GLY C C 174.333 0.300 1 472 47 47 GLY CA C 44.537 0.300 1 473 47 47 GLY N N 106.433 0.300 1 474 48 48 ASP H H 8.130 0.030 1 475 48 48 ASP HA H 4.623 0.030 1 476 48 48 ASP HB2 H 2.654 0.030 2 477 48 48 ASP HB3 H 2.472 0.030 2 478 48 48 ASP C C 175.060 0.300 1 479 48 48 ASP CA C 54.232 0.300 1 480 48 48 ASP CB C 41.341 0.300 1 481 48 48 ASP N N 122.774 0.300 1 482 49 49 TRP H H 8.651 0.030 1 483 49 49 TRP HA H 5.018 0.030 1 484 49 49 TRP HB2 H 3.055 0.030 2 485 49 49 TRP HB3 H 2.920 0.030 2 486 49 49 TRP HD1 H 7.345 0.030 1 487 49 49 TRP HE1 H 10.084 0.030 1 488 49 49 TRP HE3 H 6.991 0.030 1 489 49 49 TRP HZ2 H 6.981 0.030 1 490 49 49 TRP HH2 H 5.200 0.030 1 491 49 49 TRP C C 176.369 0.300 1 492 49 49 TRP CA C 57.012 0.300 1 493 49 49 TRP CB C 30.932 0.300 1 494 49 49 TRP CD1 C 127.284 0.300 1 495 49 49 TRP CE3 C 119.114 0.300 1 496 49 49 TRP CZ2 C 114.648 0.300 1 497 49 49 TRP CZ3 C 121.053 0.300 1 498 49 49 TRP CH2 C 124.366 0.300 1 499 49 49 TRP N N 120.221 0.300 1 500 49 49 TRP NE1 N 129.545 0.300 1 501 50 50 LEU H H 10.111 0.030 1 502 50 50 LEU HA H 5.228 0.030 1 503 50 50 LEU HB2 H 1.970 0.030 2 504 50 50 LEU HB3 H 1.555 0.030 2 505 50 50 LEU HG H 1.617 0.030 1 506 50 50 LEU HD1 H 0.985 0.030 1 507 50 50 LEU HD2 H 0.901 0.030 1 508 50 50 LEU C C 178.355 0.300 1 509 50 50 LEU CA C 54.127 0.300 1 510 50 50 LEU CB C 46.546 0.300 1 511 50 50 LEU CG C 27.196 0.300 1 512 50 50 LEU CD1 C 27.117 0.300 2 513 50 50 LEU CD2 C 23.828 0.300 2 514 50 50 LEU N N 124.534 0.300 1 515 51 51 THR H H 9.361 0.030 1 516 51 51 THR HA H 4.817 0.030 1 517 51 51 THR HB H 4.652 0.030 1 518 51 51 THR HG2 H 1.121 0.030 1 519 51 51 THR C C 175.472 0.300 1 520 51 51 THR CA C 60.565 0.300 1 521 51 51 THR CB C 71.188 0.300 1 522 51 51 THR CG2 C 22.101 0.300 1 523 51 51 THR N N 113.572 0.300 1 524 52 52 VAL H H 8.663 0.030 1 525 52 52 VAL HA H 3.492 0.030 1 526 52 52 VAL HB H 1.535 0.030 1 527 52 52 VAL HG1 H 0.326 0.030 1 528 52 52 VAL HG2 H 0.211 0.030 1 529 52 52 VAL C C 177.677 0.300 1 530 52 52 VAL CA C 67.651 0.300 1 531 52 52 VAL CB C 31.110 0.300 1 532 52 52 VAL CG1 C 21.115 0.300 2 533 52 52 VAL CG2 C 21.257 0.300 2 534 52 52 VAL N N 117.885 0.300 1 535 53 53 LYS H H 7.964 0.030 1 536 53 53 LYS HA H 3.907 0.030 1 537 53 53 LYS HB2 H 1.772 0.030 1 538 53 53 LYS HB3 H 1.772 0.030 1 539 53 53 LYS HG2 H 1.510 0.030 2 540 53 53 LYS HG3 H 1.394 0.030 2 541 53 53 LYS HD2 H 1.726 0.030 1 542 53 53 LYS HD3 H 1.726 0.030 1 543 53 53 LYS HE2 H 3.035 0.030 1 544 53 53 LYS HE3 H 3.035 0.030 1 545 53 53 LYS C C 179.494 0.300 1 546 53 53 LYS CA C 59.967 0.300 1 547 53 53 LYS CB C 32.461 0.300 1 548 53 53 LYS CG C 25.467 0.300 1 549 53 53 LYS CD C 29.172 0.300 1 550 53 53 LYS CE C 42.081 0.300 1 551 53 53 LYS N N 118.283 0.300 1 552 54 54 GLU H H 7.916 0.030 1 553 54 54 GLU HA H 4.055 0.030 1 554 54 54 GLU HB2 H 2.406 0.030 2 555 54 54 GLU HB3 H 2.142 0.030 2 556 54 54 GLU HG2 H 2.384 0.030 1 557 54 54 GLU HG3 H 2.384 0.030 1 558 54 54 GLU C C 179.785 0.300 1 559 54 54 GLU CA C 58.982 0.300 1 560 54 54 GLU CB C 30.709 0.300 1 561 54 54 GLU CG C 37.641 0.300 1 562 54 54 GLU N N 119.143 0.300 1 563 55 55 PHE H H 8.617 0.030 1 564 55 55 PHE HA H 4.357 0.030 1 565 55 55 PHE HB2 H 3.104 0.030 2 566 55 55 PHE HB3 H 2.978 0.030 2 567 55 55 PHE HD1 H 7.015 0.030 1 568 55 55 PHE HD2 H 7.015 0.030 1 569 55 55 PHE HE1 H 6.861 0.030 1 570 55 55 PHE HE2 H 6.861 0.030 1 571 55 55 PHE HZ H 6.766 0.030 1 572 55 55 PHE C C 176.684 0.300 1 573 55 55 PHE CA C 61.128 0.300 1 574 55 55 PHE CB C 39.804 0.300 1 575 55 55 PHE CD1 C 131.220 0.300 1 576 55 55 PHE CD2 C 131.220 0.300 1 577 55 55 PHE CE1 C 130.968 0.300 1 578 55 55 PHE CE2 C 130.968 0.300 1 579 55 55 PHE CZ C 129.226 0.300 1 580 55 55 PHE N N 123.909 0.300 1 581 56 56 LEU H H 8.420 0.030 1 582 56 56 LEU HA H 4.028 0.030 1 583 56 56 LEU HB2 H 1.882 0.030 2 584 56 56 LEU HB3 H 1.455 0.030 2 585 56 56 LEU HG H 1.864 0.030 1 586 56 56 LEU HD1 H 1.023 0.030 1 587 56 56 LEU HD2 H 0.941 0.030 1 588 56 56 LEU C C 180.245 0.300 1 589 56 56 LEU CA C 58.489 0.300 1 590 56 56 LEU CB C 41.341 0.300 1 591 56 56 LEU CG C 28.926 0.300 1 592 56 56 LEU CD1 C 25.348 0.300 2 593 56 56 LEU CD2 C 25.226 0.300 2 594 56 56 LEU N N 119.682 0.300 1 595 57 57 ASN H H 7.872 0.030 1 596 57 57 ASN HA H 4.337 0.030 1 597 57 57 ASN HB2 H 2.951 0.030 2 598 57 57 ASN HB3 H 2.910 0.030 2 599 57 57 ASN HD21 H 7.778 0.030 2 600 57 57 ASN HD22 H 6.864 0.030 2 601 57 57 ASN C C 179.082 0.300 1 602 57 57 ASN CA C 56.694 0.300 1 603 57 57 ASN CB C 38.550 0.300 1 604 57 57 ASN N N 116.268 0.300 1 605 57 57 ASN ND2 N 112.765 0.300 1 606 58 58 GLU H H 8.190 0.030 1 607 58 58 GLU HA H 4.004 0.030 1 608 58 58 GLU HB2 H 2.149 0.030 2 609 58 58 GLU HB3 H 2.038 0.030 2 610 58 58 GLU HG2 H 2.398 0.030 2 611 58 58 GLU HG3 H 2.249 0.030 2 612 58 58 GLU C C 178.380 0.300 1 613 58 58 GLU CA C 59.580 0.300 1 614 58 58 GLU CB C 29.021 0.300 1 615 58 58 GLU CG C 36.490 0.300 1 616 58 58 GLU N N 122.843 0.300 1 617 59 59 GLY H H 7.948 0.030 1 618 59 59 GLY HA2 H 4.094 0.030 2 619 59 59 GLY HA3 H 3.582 0.030 2 620 59 59 GLY C C 174.576 0.300 1 621 59 59 GLY CA C 45.962 0.300 1 622 59 59 GLY N N 103.896 0.300 1 623 60 60 GLY H H 7.797 0.030 1 624 60 60 GLY HA2 H 4.186 0.030 2 625 60 60 GLY HA3 H 4.052 0.030 2 626 60 60 GLY C C 175.545 0.300 1 627 60 60 GLY CA C 46.035 0.300 1 628 60 60 GLY N N 108.541 0.300 1 629 61 61 ARG H H 8.357 0.030 1 630 61 61 ARG HA H 4.817 0.030 1 631 61 61 ARG HB2 H 2.100 0.030 2 632 61 61 ARG HB3 H 1.420 0.030 2 633 61 61 ARG HD2 H 3.179 0.030 2 634 61 61 ARG HD3 H 3.078 0.030 2 635 61 61 ARG C C 176.126 0.300 1 636 61 61 ARG CA C 53.107 0.300 1 637 61 61 ARG CB C 29.868 0.300 1 638 61 61 ARG CG C 26.541 0.300 1 639 61 61 ARG CD C 42.575 0.300 1 640 61 61 ARG N N 120.247 0.300 1 641 62 62 ALA H H 8.241 0.030 1 642 62 62 ALA HA H 4.085 0.030 1 643 62 62 ALA HB H 1.482 0.030 1 644 62 62 ALA C C 178.888 0.300 1 645 62 62 ALA CA C 54.795 0.300 1 646 62 62 ALA CB C 19.635 0.300 1 647 62 62 ALA N N 121.838 0.300 1 648 63 63 THR H H 7.779 0.030 1 649 63 63 THR HA H 4.304 0.030 1 650 63 63 THR HB H 4.480 0.030 1 651 63 63 THR HG2 H 1.220 0.030 1 652 63 63 THR C C 175.085 0.300 1 653 63 63 THR CA C 61.585 0.300 1 654 63 63 THR CB C 69.155 0.300 1 655 63 63 THR CG2 C 21.646 0.300 1 656 63 63 THR N N 105.197 0.300 1 657 64 64 SER H H 7.795 0.030 1 658 64 64 SER HA H 4.366 0.030 1 659 64 64 SER HB2 H 3.970 0.030 2 660 64 64 SER HB3 H 3.777 0.030 2 661 64 64 SER C C 174.600 0.300 1 662 64 64 SER CA C 59.299 0.300 1 663 64 64 SER CB C 64.035 0.300 1 664 64 64 SER N N 117.885 0.300 1 665 65 65 LYS H H 8.540 0.030 1 666 65 65 LYS HA H 4.372 0.030 1 667 65 65 LYS HB2 H 1.797 0.030 1 668 65 65 LYS HB3 H 1.797 0.030 1 669 65 65 LYS HG2 H 1.565 0.030 2 670 65 65 LYS HG3 H 1.493 0.030 2 671 65 65 LYS HD2 H 2.000 0.030 2 672 65 65 LYS HD3 H 1.735 0.030 2 673 65 65 LYS HE2 H 3.070 0.030 1 674 65 65 LYS HE3 H 3.070 0.030 1 675 65 65 LYS C C 177.144 0.300 1 676 65 65 LYS CA C 57.012 0.300 1 677 65 65 LYS CB C 32.790 0.300 1 678 65 65 LYS CG C 25.120 0.300 1 679 65 65 LYS CE C 42.164 0.300 1 680 65 65 LYS N N 124.269 0.300 1 681 66 66 ASP H H 8.383 0.030 1 682 66 66 ASP HA H 4.864 0.030 1 683 66 66 ASP HB2 H 2.806 0.030 2 684 66 66 ASP HB3 H 2.488 0.030 2 685 66 66 ASP C C 176.514 0.300 1 686 66 66 ASP CA C 52.471 0.300 1 687 66 66 ASP CB C 40.222 0.300 1 688 66 66 ASP N N 120.062 0.300 1 689 67 67 TRP H H 7.853 0.030 1 690 67 67 TRP HA H 4.311 0.030 1 691 67 67 TRP HB2 H 3.289 0.030 2 692 67 67 TRP HB3 H 3.165 0.030 2 693 67 67 TRP HD1 H 7.549 0.030 1 694 67 67 TRP HE1 H 10.435 0.030 1 695 67 67 TRP HE3 H 7.233 0.030 1 696 67 67 TRP HZ2 H 7.604 0.030 1 697 67 67 TRP HH2 H 7.161 0.030 1 698 67 67 TRP C C 177.604 0.300 1 699 67 67 TRP CA C 59.299 0.300 1 700 67 67 TRP CB C 28.515 0.300 1 701 67 67 TRP CD1 C 128.341 0.300 1 702 67 67 TRP CE3 C 120.470 0.300 1 703 67 67 TRP CZ2 C 114.939 0.300 1 704 67 67 TRP CZ3 C 121.430 0.300 1 705 67 67 TRP CH2 C 124.574 0.300 1 706 67 67 TRP N N 124.296 0.300 1 707 67 67 TRP NE1 N 130.564 0.300 1 708 68 68 LYS H H 7.468 0.030 1 709 68 68 LYS HA H 3.667 0.030 1 710 68 68 LYS HB2 H 1.197 0.030 2 711 68 68 LYS HB3 H 1.093 0.030 2 712 68 68 LYS HG2 H -0.150 0.030 2 713 68 68 LYS HG3 H -0.416 0.030 2 714 68 68 LYS HD2 H 1.117 0.030 2 715 68 68 LYS HD3 H 1.064 0.030 2 716 68 68 LYS HE2 H 2.483 0.030 2 717 68 68 LYS HE3 H 2.407 0.030 2 718 68 68 LYS C C 176.950 0.300 1 719 68 68 LYS CA C 59.297 0.300 1 720 68 68 LYS CB C 32.364 0.300 1 721 68 68 LYS CG C 24.815 0.300 1 722 68 68 LYS CD C 29.906 0.300 1 723 68 68 LYS CE C 42.246 0.300 1 724 68 68 LYS N N 119.323 0.300 1 725 69 69 GLY H H 7.511 0.030 1 726 69 69 GLY HA2 H 4.153 0.030 2 727 69 69 GLY HA3 H 3.760 0.030 2 728 69 69 GLY C C 174.503 0.300 1 729 69 69 GLY CA C 45.169 0.300 1 730 69 69 GLY N N 102.696 0.300 1 731 70 70 VAL H H 7.305 0.030 1 732 70 70 VAL HA H 4.485 0.030 1 733 70 70 VAL HB H 2.230 0.030 1 734 70 70 VAL HG1 H 1.032 0.030 1 735 70 70 VAL HG2 H 1.005 0.030 1 736 70 70 VAL C C 175.424 0.300 1 737 70 70 VAL CA C 61.972 0.300 1 738 70 70 VAL CB C 33.709 0.300 1 739 70 70 VAL CG1 C 20.630 0.300 2 740 70 70 VAL CG2 C 21.712 0.300 2 741 70 70 VAL N N 112.494 0.300 1 742 71 71 ILE H H 7.516 0.030 1 743 71 71 ILE HA H 4.641 0.030 1 744 71 71 ILE HB H 1.928 0.030 1 745 71 71 ILE HG12 H 2.429 0.030 2 746 71 71 ILE HG13 H 1.062 0.030 2 747 71 71 ILE HG2 H 1.114 0.030 1 748 71 71 ILE HD1 H 1.250 0.030 1 749 71 71 ILE C C 174.576 0.300 1 750 71 71 ILE CA C 62.265 0.300 1 751 71 71 ILE CB C 38.224 0.300 1 752 71 71 ILE CG1 C 29.261 0.300 1 753 71 71 ILE CG2 C 18.414 0.300 1 754 71 71 ILE CD1 C 14.429 0.300 1 755 71 71 ILE N N 122.737 0.300 1 756 72 72 ARG H H 8.685 0.030 1 757 72 72 ARG HA H 5.200 0.030 1 758 72 72 ARG HB2 H 1.574 0.030 2 759 72 72 ARG HB3 H 1.197 0.030 2 760 72 72 ARG HG2 H 1.497 0.030 2 761 72 72 ARG HG3 H 1.060 0.030 2 762 72 72 ARG HD2 H 3.024 0.030 2 763 72 72 ARG HD3 H 2.840 0.030 2 764 72 72 ARG C C 174.891 0.300 1 765 72 72 ARG CA C 53.845 0.300 1 766 72 72 ARG CB C 34.846 0.300 1 767 72 72 ARG CG C 28.679 0.300 1 768 72 72 ARG CD C 43.397 0.300 1 769 72 72 ARG N N 123.729 0.300 1 770 73 73 CYS H H 9.515 0.030 1 771 73 73 CYS HA H 4.996 0.030 1 772 73 73 CYS HB2 H 2.612 0.030 2 773 73 73 CYS HB3 H 2.462 0.030 2 774 73 73 CYS C C 175.642 0.300 1 775 73 73 CYS CA C 57.391 0.300 1 776 73 73 CYS CB C 28.210 0.300 1 777 73 73 CYS N N 119.753 0.300 1 778 74 74 ASN H H 9.697 0.030 1 779 74 74 ASN HA H 4.409 0.030 1 780 74 74 ASN HB2 H 3.132 0.030 2 781 74 74 ASN HB3 H 2.922 0.030 2 782 74 74 ASN HD21 H 7.604 0.030 2 783 74 74 ASN HD22 H 6.876 0.030 2 784 74 74 ASN C C 175.375 0.300 1 785 74 74 ASN CA C 54.443 0.300 1 786 74 74 ASN CB C 37.559 0.300 1 787 74 74 ASN N N 129.390 0.300 1 788 74 74 ASN ND2 N 113.359 0.300 1 789 75 75 GLY H H 8.483 0.030 1 790 75 75 GLY HA2 H 4.319 0.030 2 791 75 75 GLY HA3 H 3.606 0.030 2 792 75 75 GLY C C 173.922 0.300 1 793 75 75 GLY CA C 45.455 0.300 1 794 75 75 GLY N N 102.067 0.300 1 795 76 76 GLU H H 7.813 0.030 1 796 76 76 GLU HA H 4.882 0.030 1 797 76 76 GLU HB2 H 2.057 0.030 2 798 76 76 GLU HB3 H 1.969 0.030 2 799 76 76 GLU HG2 H 2.334 0.030 2 800 76 76 GLU HG3 H 2.206 0.030 2 801 76 76 GLU C C 176.151 0.300 1 802 76 76 GLU CA C 54.232 0.300 1 803 76 76 GLU CB C 32.202 0.300 1 804 76 76 GLU CG C 35.885 0.300 1 805 76 76 GLU N N 122.018 0.300 1 806 77 77 THR H H 9.089 0.030 1 807 77 77 THR HA H 4.594 0.030 1 808 77 77 THR HB H 5.004 0.030 1 809 77 77 THR HG2 H 1.304 0.030 1 810 77 77 THR C C 175.496 0.300 1 811 77 77 THR CA C 62.007 0.300 1 812 77 77 THR CB C 69.873 0.300 1 813 77 77 THR CG2 C 22.248 0.300 1 814 77 77 THR N N 113.932 0.300 1 815 78 78 LEU H H 8.203 0.030 1 816 78 78 LEU HA H 4.088 0.030 1 817 78 78 LEU HB2 H 2.008 0.030 2 818 78 78 LEU HB3 H 1.352 0.030 2 819 78 78 LEU HG H 1.895 0.030 1 820 78 78 LEU HD1 H 1.009 0.030 1 821 78 78 LEU HD2 H 0.725 0.030 1 822 78 78 LEU C C 179.228 0.300 1 823 78 78 LEU CA C 58.208 0.300 1 824 78 78 LEU CB C 39.697 0.300 1 825 78 78 LEU CG C 26.336 0.300 1 826 78 78 LEU CD1 C 26.157 0.300 2 827 78 78 LEU CD2 C 21.592 0.300 2 828 78 78 LEU N N 119.417 0.300 1 829 79 79 ARG H H 8.064 0.030 1 830 79 79 ARG HA H 3.773 0.030 1 831 79 79 ARG HB2 H 1.635 0.030 2 832 79 79 ARG HB3 H 1.430 0.030 2 833 79 79 ARG HG2 H 1.492 0.030 2 834 79 79 ARG HG3 H 1.450 0.030 2 835 79 79 ARG HD2 H 3.154 0.030 1 836 79 79 ARG HD3 H 3.092 0.030 2 837 79 79 ARG HE H 7.453 0.030 1 838 79 79 ARG C C 177.386 0.300 1 839 79 79 ARG CA C 59.017 0.300 1 840 79 79 ARG CB C 28.926 0.300 1 841 79 79 ARG CG C 26.952 0.300 1 842 79 79 ARG CD C 42.328 0.300 1 843 79 79 ARG N N 117.926 0.300 1 844 79 79 ARG NE N 106.922 0.300 1 845 80 80 HIS H H 8.177 0.030 1 846 80 80 HIS HA H 4.349 0.030 1 847 80 80 HIS HB2 H 3.389 0.030 2 848 80 80 HIS HB3 H 3.324 0.030 2 849 80 80 HIS HD2 H 7.084 0.030 1 850 80 80 HIS HE1 H 8.229 0.030 1 851 80 80 HIS C C 178.040 0.300 1 852 80 80 HIS CA C 59.334 0.300 1 853 80 80 HIS CB C 29.476 0.300 1 854 80 80 HIS CD2 C 119.481 0.300 1 855 80 80 HIS CE1 C 137.555 0.300 1 856 80 80 HIS N N 120.401 0.300 1 857 81 81 LEU H H 8.004 0.030 1 858 81 81 LEU HA H 3.908 0.030 1 859 81 81 LEU HB2 H 1.946 0.030 2 860 81 81 LEU HB3 H 1.347 0.030 2 861 81 81 LEU HG H 1.823 0.030 1 862 81 81 LEU HD1 H 0.925 0.030 1 863 81 81 LEU HD2 H 0.883 0.030 1 864 81 81 LEU C C 179.518 0.300 1 865 81 81 LEU CA C 58.700 0.300 1 866 81 81 LEU CB C 41.759 0.300 1 867 81 81 LEU CG C 28.104 0.300 1 868 81 81 LEU CD1 C 25.879 0.300 2 869 81 81 LEU CD2 C 23.992 0.300 2 870 81 81 LEU N N 118.398 0.300 1 871 82 82 GLU H H 8.652 0.030 1 872 82 82 GLU HA H 4.151 0.030 1 873 82 82 GLU HB2 H 2.295 0.030 2 874 82 82 GLU HB3 H 2.073 0.030 2 875 82 82 GLU HG2 H 2.327 0.030 2 876 82 82 GLU HG3 H 2.173 0.030 2 877 82 82 GLU C C 180.657 0.300 1 878 82 82 GLU CA C 59.350 0.300 1 879 82 82 GLU CB C 29.766 0.300 1 880 82 82 GLU CG C 36.397 0.300 1 881 82 82 GLU N N 121.767 0.300 1 882 83 83 GLN H H 8.219 0.030 1 883 83 83 GLN HA H 4.074 0.030 1 884 83 83 GLN HB2 H 2.269 0.030 2 885 83 83 GLN HB3 H 2.114 0.030 2 886 83 83 GLN HG2 H 2.619 0.030 2 887 83 83 GLN HG3 H 2.437 0.030 2 888 83 83 GLN HE21 H 7.469 0.030 2 889 83 83 GLN HE22 H 6.817 0.030 2 890 83 83 GLN C C 177.822 0.300 1 891 83 83 GLN CA C 58.525 0.300 1 892 83 83 GLN CB C 28.150 0.300 1 893 83 83 GLN CG C 34.190 0.300 1 894 83 83 GLN N N 120.538 0.300 1 895 83 83 GLN NE2 N 111.240 0.300 1 896 84 84 LYS H H 7.490 0.030 1 897 84 84 LYS HA H 4.312 0.030 1 898 84 84 LYS HB2 H 1.983 0.030 2 899 84 84 LYS HB3 H 1.747 0.030 2 900 84 84 LYS HG2 H 1.490 0.030 1 901 84 84 LYS HG3 H 1.490 0.030 1 902 84 84 LYS HD2 H 1.573 0.030 1 903 84 84 LYS HD3 H 1.573 0.030 1 904 84 84 LYS HE2 H 2.896 0.030 2 905 84 84 LYS HE3 H 2.827 0.030 2 906 84 84 LYS C C 176.466 0.300 1 907 84 84 LYS CA C 56.178 0.300 1 908 84 84 LYS CB C 33.119 0.300 1 909 84 84 LYS CG C 24.652 0.300 1 910 84 84 LYS CD C 29.208 0.300 1 911 84 84 LYS CE C 41.803 0.300 1 912 84 84 LYS N N 116.241 0.300 1 913 85 85 GLY H H 7.858 0.030 1 914 85 85 GLY HA2 H 4.180 0.030 2 915 85 85 GLY HA3 H 3.914 0.030 2 916 85 85 GLY C C 174.794 0.300 1 917 85 85 GLY CA C 45.994 0.300 1 918 85 85 GLY N N 107.578 0.300 1 919 86 86 LEU H H 7.858 0.030 1 920 86 86 LEU HA H 4.438 0.030 1 921 86 86 LEU HB2 H 1.603 0.030 2 922 86 86 LEU HB3 H 1.442 0.030 2 923 86 86 LEU HG H 1.445 0.030 1 924 86 86 LEU HD1 H 0.887 0.030 1 925 86 86 LEU HD2 H 0.834 0.030 1 926 86 86 LEU C C 175.690 0.300 1 927 86 86 LEU CA C 54.690 0.300 1 928 86 86 LEU CB C 43.189 0.300 1 929 86 86 LEU CG C 27.024 0.300 1 930 86 86 LEU CD1 C 25.472 0.300 2 931 86 86 LEU CD2 C 22.958 0.300 2 932 86 86 LEU N N 118.424 0.300 1 933 87 87 LEU H H 7.301 0.030 1 934 87 87 LEU HA H 4.498 0.030 1 935 87 87 LEU HB2 H 1.353 0.030 2 936 87 87 LEU HB3 H 1.128 0.030 2 937 87 87 LEU HG H 1.269 0.030 1 938 87 87 LEU HD1 H 0.754 0.030 1 939 87 87 LEU HD2 H 0.809 0.030 1 940 87 87 LEU C C 175.521 0.300 1 941 87 87 LEU CA C 54.464 0.300 1 942 87 87 LEU CB C 44.506 0.300 1 943 87 87 LEU CG C 26.897 0.300 1 944 87 87 LEU CD1 C 25.840 0.300 2 945 87 87 LEU CD2 C 24.691 0.300 2 946 87 87 LEU N N 119.821 0.300 1 947 88 88 PHE H H 8.524 0.030 1 948 88 88 PHE HA H 4.649 0.030 1 949 88 88 PHE HB2 H 3.129 0.030 2 950 88 88 PHE HB3 H 2.965 0.030 2 951 88 88 PHE HD1 H 7.232 0.030 1 952 88 88 PHE HD2 H 7.232 0.030 1 953 88 88 PHE HE1 H 7.282 0.030 1 954 88 88 PHE HE2 H 7.282 0.030 1 955 88 88 PHE HZ H 7.214 0.030 1 956 88 88 PHE C C 174.891 0.300 1 957 88 88 PHE CA C 57.223 0.300 1 958 88 88 PHE CB C 39.425 0.300 1 959 88 88 PHE CD1 C 131.750 0.300 1 960 88 88 PHE CD2 C 131.750 0.300 1 961 88 88 PHE CE1 C 131.402 0.300 1 962 88 88 PHE CE2 C 131.402 0.300 1 963 88 88 PHE CZ C 129.465 0.300 1 964 88 88 PHE N N 121.939 0.300 1 965 89 89 SER H H 8.083 0.030 1 966 89 89 SER HA H 4.468 0.030 1 967 89 89 SER HB2 H 3.884 0.030 2 968 89 89 SER HB3 H 3.774 0.030 2 969 89 89 SER C C 174.309 0.300 1 970 89 89 SER CA C 57.891 0.300 1 971 89 89 SER CB C 64.446 0.300 1 972 89 89 SER N N 116.204 0.300 1 973 90 90 GLY H H 7.970 0.030 1 974 90 90 GLY HA2 H 4.171 0.030 2 975 90 90 GLY HA3 H 4.077 0.030 2 976 90 90 GLY C C 171.668 0.300 1 977 90 90 GLY CA C 44.749 0.300 1 978 90 90 GLY N N 110.117 0.300 1 979 91 91 PRO HA H 4.534 0.030 1 980 91 91 PRO HB2 H 2.351 0.030 2 981 91 91 PRO HB3 H 2.038 0.030 2 982 91 91 PRO HG2 H 2.065 0.030 1 983 91 91 PRO HG3 H 2.065 0.030 1 984 91 91 PRO HD2 H 3.657 0.030 1 985 91 91 PRO HD3 H 3.657 0.030 1 986 91 91 PRO C C 177.507 0.300 1 987 91 91 PRO CA C 63.309 0.300 1 988 91 91 PRO CB C 32.295 0.300 1 989 91 91 PRO CG C 27.199 0.300 1 990 91 91 PRO CD C 49.810 0.300 1 991 92 92 SER H H 8.626 0.030 1 992 92 92 SER HA H 4.532 0.030 1 993 92 92 SER HB2 H 3.963 0.030 1 994 92 92 SER HB3 H 3.963 0.030 1 995 92 92 SER C C 174.770 0.300 1 996 92 92 SER CA C 58.665 0.300 1 997 92 92 SER CB C 63.953 0.300 1 998 92 92 SER N N 116.676 0.300 1 999 93 93 SER H H 8.329 0.030 1 1000 93 93 SER HA H 4.519 0.030 1 1001 93 93 SER HB2 H 3.924 0.030 1 1002 93 93 SER HB3 H 3.924 0.030 1 1003 93 93 SER C C 173.970 0.300 1 1004 93 93 SER CA C 58.419 0.300 1 1005 93 93 SER CB C 64.199 0.300 1 1006 93 93 SER N N 117.589 0.300 1 1007 94 94 GLY H H 8.079 0.030 1 1008 94 94 GLY C C 178.985 0.300 1 1009 94 94 GLY CA C 46.393 0.300 1 1010 94 94 GLY N N 116.760 0.300 1 stop_ save_