data_10043 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Domain of Mouse Putative Signal Recoginition Particle 54 (SRP54) ; _BMRB_accession_number 10043 _BMRB_flat_file_name bmr10043.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-10 _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 407 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the N-terminal Domain of Mouse Putative Signal Recoginition Particle 54 (SRP54) ; _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'Signal Recoginition Particle 54' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Signal Recoginition Particle 54' $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 'N-terminal domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GSSGSSGADLGRKITSALRS LSNATIINEEVLNAMLKEVC TALLEADVNIKLVKQLRENV KSAIDLEEMASGLNKRKMIQ HAVFKELVKVKVYSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 ASP 10 LEU 11 GLY 12 ARG 13 LYS 14 ILE 15 THR 16 SER 17 ALA 18 LEU 19 ARG 20 SER 21 LEU 22 SER 23 ASN 24 ALA 25 THR 26 ILE 27 ILE 28 ASN 29 GLU 30 GLU 31 VAL 32 LEU 33 ASN 34 ALA 35 MET 36 LEU 37 LYS 38 GLU 39 VAL 40 CYS 41 THR 42 ALA 43 LEU 44 LEU 45 GLU 46 ALA 47 ASP 48 VAL 49 ASN 50 ILE 51 LYS 52 LEU 53 VAL 54 LYS 55 GLN 56 LEU 57 ARG 58 GLU 59 ASN 60 VAL 61 LYS 62 SER 63 ALA 64 ILE 65 ASP 66 LEU 67 GLU 68 GLU 69 MET 70 ALA 71 SER 72 GLY 73 LEU 74 ASN 75 LYS 76 ARG 77 LYS 78 MET 79 ILE 80 GLN 81 HIS 82 ALA 83 VAL 84 PHE 85 LYS 86 GLU 87 LEU 88 VAL 89 LYS 90 VAL 91 LYS 92 VAL 93 TYR 94 SER 95 GLY 96 PRO 97 SER 98 SER 99 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 1WGW "Solution Structure Of The N-Terminal Domain Of Mouse Putative Signal Recoginition Particle 54 (Srp54)" 100.00 99 100.00 100.00 4.95e-62 GB EAW65895 "hCG2033479, isoform CRA_e [Homo sapiens]" 83.84 341 98.80 100.00 1.44e-41 GB ELK11325 "Signal recognition particle 54 kDa protein [Pteropus alecto]" 53.54 438 100.00 100.00 8.66e-25 GB ELW63179 "Signal recognition particle 54 kDa protein [Tupaia chinensis]" 53.54 594 100.00 100.00 5.27e-24 GB EPQ06973 "Signal recognition particle 54 kDa protein [Myotis brandtii]" 53.54 281 100.00 100.00 7.25e-25 GB KFO29291 "Signal recognition particle 54 kDa protein [Fukomys damarensis]" 53.54 506 100.00 100.00 2.58e-24 REF XP_004376574 "PREDICTED: signal recognition particle 54 kDa protein isoform X1 [Trichechus manatus latirostris]" 83.84 504 98.80 100.00 6.05e-45 REF XP_005989239 "PREDICTED: signal recognition particle 54 kDa protein [Latimeria chalumnae]" 83.84 504 97.59 100.00 6.39e-41 REF XP_010211978 "PREDICTED: signal recognition particle 54 kDa protein [Tinamus guttatus]" 83.84 496 98.80 98.80 5.97e-45 REF XP_012513641 "PREDICTED: signal recognition particle 54 kDa protein [Propithecus coquereli]" 82.83 505 100.00 100.00 7.36e-45 REF XP_012867695 "PREDICTED: signal recognition particle 54 kDa protein [Dipodomys ordii]" 85.86 377 98.82 100.00 6.76e-47 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 P030908-15 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 1.04 mM '[U-13C, U-15N]' Phosphate 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 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 0.897 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 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 'Signal Recoginition Particle 54' _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 2 2 SER C C 174.826 0.300 1 2 2 2 SER CA C 58.395 0.300 1 3 2 2 SER CB C 63.906 0.300 1 4 3 3 SER H H 8.613 0.030 1 5 3 3 SER HA H 4.537 0.030 1 6 3 3 SER C C 175.202 0.300 1 7 3 3 SER CA C 58.710 0.300 1 8 3 3 SER CB C 63.883 0.300 1 9 3 3 SER N N 118.156 0.300 1 10 4 4 GLY H H 8.522 0.030 1 11 4 4 GLY HA2 H 4.058 0.030 1 12 4 4 GLY HA3 H 4.058 0.030 1 13 4 4 GLY C C 174.511 0.300 1 14 4 4 GLY CA C 45.551 0.300 1 15 4 4 GLY N N 110.990 0.300 1 16 5 5 SER H H 8.320 0.030 1 17 5 5 SER HA H 4.551 0.030 1 18 5 5 SER HB2 H 3.897 0.030 1 19 5 5 SER HB3 H 3.897 0.030 1 20 5 5 SER C C 175.056 0.300 1 21 5 5 SER CA C 58.468 0.300 1 22 5 5 SER CB C 63.984 0.300 1 23 5 5 SER N N 115.911 0.300 1 24 6 6 SER H H 8.545 0.030 1 25 6 6 SER HA H 4.512 0.030 1 26 6 6 SER HB2 H 3.962 0.030 2 27 6 6 SER HB3 H 4.023 0.030 2 28 6 6 SER C C 175.904 0.300 1 29 6 6 SER CA C 59.117 0.300 1 30 6 6 SER CB C 63.925 0.300 1 31 6 6 SER N N 118.275 0.300 1 32 7 7 GLY H H 8.600 0.030 1 33 7 7 GLY HA2 H 4.003 0.030 1 34 7 7 GLY HA3 H 4.003 0.030 1 35 7 7 GLY C C 175.286 0.300 1 36 7 7 GLY CA C 46.272 0.300 1 37 7 7 GLY N N 110.957 0.300 1 38 8 8 ALA H H 8.203 0.030 1 39 8 8 ALA HA H 4.272 0.030 1 40 8 8 ALA HB H 1.455 0.030 1 41 8 8 ALA C C 178.944 0.300 1 42 8 8 ALA CA C 53.886 0.300 1 43 8 8 ALA CB C 18.796 0.300 1 44 8 8 ALA N N 124.397 0.300 1 45 9 9 ASP H H 8.231 0.030 1 46 9 9 ASP HA H 4.548 0.030 1 47 9 9 ASP HB2 H 2.743 0.030 1 48 9 9 ASP HB3 H 2.743 0.030 1 49 9 9 ASP C C 177.079 0.300 1 50 9 9 ASP CA C 55.883 0.300 1 51 9 9 ASP CB C 41.033 0.300 1 52 9 9 ASP N N 119.034 0.300 1 53 10 10 LEU H H 7.953 0.030 1 54 10 10 LEU HA H 4.112 0.030 1 55 10 10 LEU HB2 H 1.853 0.030 2 56 10 10 LEU HB3 H 1.683 0.030 2 57 10 10 LEU HG H 1.553 0.030 1 58 10 10 LEU HD1 H 0.883 0.030 1 59 10 10 LEU HD2 H 0.870 0.030 1 60 10 10 LEU C C 178.557 0.300 1 61 10 10 LEU CA C 58.336 0.300 1 62 10 10 LEU CB C 41.649 0.300 1 63 10 10 LEU CG C 27.072 0.300 1 64 10 10 LEU CD1 C 25.808 0.300 2 65 10 10 LEU CD2 C 23.899 0.300 2 66 10 10 LEU N N 121.656 0.300 1 67 11 11 GLY H H 8.380 0.030 1 68 11 11 GLY HA2 H 3.743 0.030 2 69 11 11 GLY HA3 H 4.023 0.030 2 70 11 11 GLY C C 176.849 0.300 1 71 11 11 GLY CA C 47.707 0.300 1 72 11 11 GLY N N 105.345 0.300 1 73 12 12 ARG H H 8.068 0.030 1 74 12 12 ARG HA H 4.123 0.030 1 75 12 12 ARG HB2 H 1.980 0.030 2 76 12 12 ARG HB3 H 1.993 0.030 2 77 12 12 ARG HG2 H 1.653 0.030 2 78 12 12 ARG HG3 H 1.791 0.030 2 79 12 12 ARG HD2 H 3.252 0.030 1 80 12 12 ARG HD3 H 3.252 0.030 1 81 12 12 ARG C C 179.380 0.300 1 82 12 12 ARG CA C 59.609 0.300 1 83 12 12 ARG CB C 30.160 0.300 1 84 12 12 ARG CG C 27.560 0.300 1 85 12 12 ARG CD C 43.382 0.300 1 86 12 12 ARG N N 122.823 0.300 1 87 13 13 LYS H H 8.082 0.030 1 88 13 13 LYS HA H 4.093 0.030 1 89 13 13 LYS HB2 H 2.003 0.030 2 90 13 13 LYS HB3 H 1.863 0.030 2 91 13 13 LYS HG2 H 1.463 0.030 2 92 13 13 LYS HG3 H 1.723 0.030 2 93 13 13 LYS HD2 H 1.712 0.030 2 94 13 13 LYS HD3 H 1.673 0.030 2 95 13 13 LYS HE2 H 2.963 0.030 2 96 13 13 LYS HE3 H 2.903 0.030 2 97 13 13 LYS C C 180.340 0.300 1 98 13 13 LYS CA C 59.889 0.300 1 99 13 13 LYS CB C 33.363 0.300 1 100 13 13 LYS CG C 26.172 0.300 1 101 13 13 LYS CD C 30.102 0.300 1 102 13 13 LYS CE C 42.232 0.300 1 103 13 13 LYS N N 120.518 0.300 1 104 14 14 ILE H H 8.467 0.030 1 105 14 14 ILE HA H 3.618 0.030 1 106 14 14 ILE HB H 2.065 0.030 1 107 14 14 ILE HG12 H 1.213 0.030 2 108 14 14 ILE HG13 H 1.672 0.030 2 109 14 14 ILE HG2 H 0.749 0.030 1 110 14 14 ILE HD1 H 0.724 0.030 1 111 14 14 ILE C C 177.479 0.300 1 112 14 14 ILE CA C 65.158 0.300 1 113 14 14 ILE CB C 36.960 0.300 1 114 14 14 ILE CG1 C 29.097 0.300 1 115 14 14 ILE CG2 C 17.328 0.300 1 116 14 14 ILE CD1 C 12.913 0.300 1 117 14 14 ILE N N 120.813 0.300 1 118 15 15 THR H H 8.522 0.030 1 119 15 15 THR HA H 3.892 0.030 1 120 15 15 THR HB H 4.330 0.030 1 121 15 15 THR HG2 H 1.305 0.030 1 122 15 15 THR C C 177.467 0.300 1 123 15 15 THR CA C 67.515 0.300 1 124 15 15 THR CB C 68.537 0.300 1 125 15 15 THR CG2 C 21.844 0.300 1 126 15 15 THR N N 116.208 0.300 1 127 16 16 SER H H 8.263 0.030 1 128 16 16 SER HA H 4.183 0.030 1 129 16 16 SER HB2 H 4.021 0.030 1 130 16 16 SER HB3 H 4.021 0.030 1 131 16 16 SER C C 176.765 0.300 1 132 16 16 SER CA C 62.139 0.300 1 133 16 16 SER CB C 62.591 0.300 1 134 16 16 SER N N 116.883 0.300 1 135 17 17 ALA H H 7.851 0.030 1 136 17 17 ALA HA H 4.248 0.030 1 137 17 17 ALA HB H 1.533 0.030 1 138 17 17 ALA C C 180.797 0.300 1 139 17 17 ALA CA C 55.040 0.300 1 140 17 17 ALA CB C 18.593 0.300 1 141 17 17 ALA N N 124.516 0.300 1 142 18 18 LEU H H 8.213 0.030 1 143 18 18 LEU HA H 4.093 0.030 1 144 18 18 LEU HB2 H 1.983 0.030 2 145 18 18 LEU HB3 H 1.553 0.030 2 146 18 18 LEU HG H 1.800 0.030 1 147 18 18 LEU HD1 H 0.796 0.030 1 148 18 18 LEU HD2 H 0.805 0.030 1 149 18 18 LEU C C 179.671 0.300 1 150 18 18 LEU CA C 57.430 0.300 1 151 18 18 LEU CB C 41.321 0.300 1 152 18 18 LEU CG C 27.560 0.300 1 153 18 18 LEU CD1 C 26.150 0.300 2 154 18 18 LEU CD2 C 23.206 0.300 2 155 18 18 LEU N N 118.412 0.300 1 156 19 19 ARG H H 8.404 0.030 1 157 19 19 ARG HA H 4.114 0.030 1 158 19 19 ARG HB2 H 2.003 0.030 1 159 19 19 ARG HB3 H 2.003 0.030 1 160 19 19 ARG HG2 H 1.803 0.030 2 161 19 19 ARG HG3 H 1.674 0.030 2 162 19 19 ARG HD2 H 3.240 0.030 1 163 19 19 ARG HD3 H 3.240 0.030 1 164 19 19 ARG C C 178.993 0.300 1 165 19 19 ARG CA C 59.251 0.300 1 166 19 19 ARG CB C 29.826 0.300 1 167 19 19 ARG CG C 27.434 0.300 1 168 19 19 ARG CD C 43.547 0.300 1 169 19 19 ARG N N 122.684 0.300 1 170 20 20 SER H H 8.017 0.030 1 171 20 20 SER HA H 4.269 0.030 1 172 20 20 SER HB2 H 4.052 0.030 2 173 20 20 SER HB3 H 4.011 0.030 2 174 20 20 SER C C 176.788 0.300 1 175 20 20 SER CA C 61.875 0.300 1 176 20 20 SER CB C 62.692 0.300 1 177 20 20 SER N N 115.408 0.300 1 178 21 21 LEU H H 7.405 0.030 1 179 21 21 LEU HA H 4.104 0.030 1 180 21 21 LEU HB2 H 1.794 0.030 1 181 21 21 LEU HB3 H 1.794 0.030 1 182 21 21 LEU HG H 1.771 0.030 1 183 21 21 LEU HD1 H 0.888 0.030 1 184 21 21 LEU HD2 H 0.990 0.030 1 185 21 21 LEU C C 178.205 0.300 1 186 21 21 LEU CA C 57.600 0.300 1 187 21 21 LEU CB C 41.649 0.300 1 188 21 21 LEU CG C 27.048 0.300 1 189 21 21 LEU CD1 C 24.743 0.300 2 190 21 21 LEU CD2 C 25.905 0.300 2 191 21 21 LEU N N 121.327 0.300 1 192 22 22 SER H H 8.013 0.030 1 193 22 22 SER HA H 4.093 0.030 1 194 22 22 SER HB2 H 4.025 0.030 2 195 22 22 SER HB3 H 3.953 0.030 2 196 22 22 SER C C 174.753 0.300 1 197 22 22 SER CA C 61.371 0.300 1 198 22 22 SER CB C 63.157 0.300 1 199 22 22 SER N N 113.416 0.300 1 200 23 23 ASN H H 7.693 0.030 1 201 23 23 ASN HA H 4.723 0.030 1 202 23 23 ASN HB2 H 2.763 0.030 2 203 23 23 ASN HB3 H 2.952 0.030 2 204 23 23 ASN HD21 H 6.865 0.030 2 205 23 23 ASN HD22 H 7.576 0.030 2 206 23 23 ASN C C 175.092 0.300 1 207 23 23 ASN CA C 53.103 0.300 1 208 23 23 ASN CB C 39.184 0.300 1 209 23 23 ASN N N 117.197 0.300 1 210 23 23 ASN ND2 N 112.202 0.300 1 211 24 24 ALA H H 7.378 0.030 1 212 24 24 ALA HA H 4.383 0.030 1 213 24 24 ALA HB H 1.470 0.030 1 214 24 24 ALA C C 178.072 0.300 1 215 24 24 ALA CA C 52.714 0.300 1 216 24 24 ALA CB C 19.364 0.300 1 217 24 24 ALA N N 123.877 0.300 1 218 25 25 THR H H 8.633 0.030 1 219 25 25 THR HA H 4.063 0.030 1 220 25 25 THR HB H 4.203 0.030 1 221 25 25 THR HG2 H 1.305 0.030 1 222 25 25 THR C C 174.778 0.300 1 223 25 25 THR CA C 64.816 0.300 1 224 25 25 THR CB C 68.851 0.300 1 225 25 25 THR CG2 C 22.366 0.300 1 226 25 25 THR N N 117.299 0.300 1 227 26 26 ILE H H 7.555 0.030 1 228 26 26 ILE HA H 4.314 0.030 1 229 26 26 ILE HB H 1.762 0.030 1 230 26 26 ILE HG12 H 1.482 0.030 2 231 26 26 ILE HG13 H 1.109 0.030 2 232 26 26 ILE HG2 H 0.853 0.030 1 233 26 26 ILE HD1 H 0.891 0.030 1 234 26 26 ILE C C 174.608 0.300 1 235 26 26 ILE CA C 59.713 0.300 1 236 26 26 ILE CB C 40.786 0.300 1 237 26 26 ILE CG1 C 27.486 0.300 1 238 26 26 ILE CG2 C 17.127 0.300 1 239 26 26 ILE CD1 C 12.966 0.300 1 240 26 26 ILE N N 119.590 0.300 1 241 27 27 ILE H H 8.745 0.030 1 242 27 27 ILE HA H 3.942 0.030 1 243 27 27 ILE HB H 1.874 0.030 1 244 27 27 ILE HG12 H 1.471 0.030 2 245 27 27 ILE HG13 H 1.173 0.030 2 246 27 27 ILE HG2 H 0.755 0.030 1 247 27 27 ILE HD1 H 0.803 0.030 1 248 27 27 ILE C C 173.397 0.300 1 249 27 27 ILE CA C 60.535 0.300 1 250 27 27 ILE CB C 36.524 0.300 1 251 27 27 ILE CG1 C 27.402 0.300 1 252 27 27 ILE CG2 C 17.730 0.300 1 253 27 27 ILE CD1 C 12.692 0.300 1 254 27 27 ILE N N 125.351 0.300 1 255 28 28 ASN H H 6.863 0.030 1 256 28 28 ASN HA H 4.795 0.030 1 257 28 28 ASN HB2 H 2.857 0.030 2 258 28 28 ASN HB3 H 3.375 0.030 2 259 28 28 ASN HD21 H 7.465 0.030 2 260 28 28 ASN HD22 H 7.022 0.030 2 261 28 28 ASN C C 174.887 0.300 1 262 28 28 ASN CA C 50.911 0.300 1 263 28 28 ASN CB C 39.854 0.300 1 264 28 28 ASN N N 123.980 0.300 1 265 28 28 ASN ND2 N 110.325 0.300 1 266 29 29 GLU H H 8.792 0.030 1 267 29 29 GLU HA H 3.822 0.030 1 268 29 29 GLU HB2 H 2.073 0.030 2 269 29 29 GLU HB3 H 1.993 0.030 2 270 29 29 GLU HG2 H 2.279 0.030 2 271 29 29 GLU HG3 H 2.333 0.030 2 272 29 29 GLU C C 177.491 0.300 1 273 29 29 GLU CA C 60.371 0.300 1 274 29 29 GLU CB C 29.338 0.300 1 275 29 29 GLU CG C 36.312 0.300 1 276 29 29 GLU N N 119.403 0.300 1 277 30 30 GLU H H 8.080 0.030 1 278 30 30 GLU HA H 4.090 0.030 1 279 30 30 GLU HB2 H 2.143 0.030 2 280 30 30 GLU HB3 H 2.080 0.030 2 281 30 30 GLU HG2 H 2.323 0.030 1 282 30 30 GLU HG3 H 2.323 0.030 1 283 30 30 GLU C C 179.877 0.300 1 284 30 30 GLU CA C 60.107 0.300 1 285 30 30 GLU CB C 29.109 0.300 1 286 30 30 GLU CG C 36.559 0.300 1 287 30 30 GLU N N 119.283 0.300 1 288 31 31 VAL H H 8.172 0.030 1 289 31 31 VAL HA H 3.841 0.030 1 290 31 31 VAL HB H 2.113 0.030 1 291 31 31 VAL HG1 H 1.054 0.030 1 292 31 31 VAL HG2 H 1.283 0.030 1 293 31 31 VAL C C 179.065 0.300 1 294 31 31 VAL CA C 66.036 0.300 1 295 31 31 VAL CB C 32.932 0.300 1 296 31 31 VAL CG1 C 21.473 0.300 2 297 31 31 VAL CG2 C 22.438 0.300 2 298 31 31 VAL N N 121.189 0.300 1 299 32 32 LEU H H 8.219 0.030 1 300 32 32 LEU HA H 3.994 0.030 1 301 32 32 LEU HB2 H 1.897 0.030 2 302 32 32 LEU HB3 H 1.447 0.030 2 303 32 32 LEU HG H 1.614 0.030 1 304 32 32 LEU HD1 H 0.907 0.030 1 305 32 32 LEU HD2 H 0.843 0.030 1 306 32 32 LEU C C 178.387 0.300 1 307 32 32 LEU CA C 58.468 0.300 1 308 32 32 LEU CB C 41.952 0.300 1 309 32 32 LEU CG C 27.048 0.300 1 310 32 32 LEU CD1 C 26.064 0.300 2 311 32 32 LEU CD2 C 24.487 0.300 2 312 32 32 LEU N N 121.656 0.300 1 313 33 33 ASN H H 8.973 0.030 1 314 33 33 ASN HA H 4.441 0.030 1 315 33 33 ASN HB2 H 2.763 0.030 2 316 33 33 ASN HB3 H 2.974 0.030 2 317 33 33 ASN HD21 H 7.604 0.030 2 318 33 33 ASN HD22 H 6.992 0.030 2 319 33 33 ASN C C 178.557 0.300 1 320 33 33 ASN CA C 56.010 0.300 1 321 33 33 ASN CB C 37.580 0.300 1 322 33 33 ASN N N 117.668 0.300 1 323 33 33 ASN ND2 N 111.394 0.300 2 324 34 34 ALA H H 8.214 0.030 1 325 34 34 ALA HA H 4.228 0.030 1 326 34 34 ALA HB H 1.593 0.030 1 327 34 34 ALA C C 180.167 0.300 1 328 34 34 ALA CA C 55.511 0.300 1 329 34 34 ALA CB C 17.929 0.300 1 330 34 34 ALA N N 124.508 0.300 1 331 35 35 MET H H 7.832 0.030 1 332 35 35 MET HA H 4.304 0.030 1 333 35 35 MET HB2 H 2.252 0.030 2 334 35 35 MET HB3 H 2.333 0.030 2 335 35 35 MET HG2 H 2.624 0.030 2 336 35 35 MET HG3 H 2.333 0.030 2 337 35 35 MET HE H 1.848 0.030 1 338 35 35 MET C C 178.666 0.300 1 339 35 35 MET CA C 59.159 0.300 1 340 35 35 MET CB C 30.632 0.300 1 341 35 35 MET CG C 31.569 0.300 1 342 35 35 MET CE C 17.058 0.300 1 343 35 35 MET N N 120.324 0.300 1 344 36 36 LEU H H 8.618 0.030 1 345 36 36 LEU HA H 3.959 0.030 1 346 36 36 LEU HB2 H 2.002 0.030 2 347 36 36 LEU HB3 H 1.362 0.030 2 348 36 36 LEU HG H 1.817 0.030 1 349 36 36 LEU HD1 H 0.892 0.030 1 350 36 36 LEU HD2 H 0.793 0.030 1 351 36 36 LEU C C 178.895 0.300 1 352 36 36 LEU CA C 57.797 0.300 1 353 36 36 LEU CB C 41.958 0.300 1 354 36 36 LEU CG C 27.048 0.300 1 355 36 36 LEU CD1 C 25.461 0.300 2 356 36 36 LEU CD2 C 22.694 0.300 2 357 36 36 LEU N N 119.694 0.300 1 358 37 37 LYS H H 8.438 0.030 1 359 37 37 LYS HA H 4.072 0.030 1 360 37 37 LYS HB2 H 1.980 0.030 2 361 37 37 LYS HB3 H 2.053 0.030 2 362 37 37 LYS HG2 H 1.495 0.030 2 363 37 37 LYS HG3 H 1.384 0.030 2 364 37 37 LYS HE2 H 2.974 0.030 1 365 37 37 LYS HE3 H 2.974 0.030 1 366 37 37 LYS C C 179.465 0.300 1 367 37 37 LYS CA C 60.029 0.300 1 368 37 37 LYS CB C 32.170 0.300 1 369 37 37 LYS CG C 24.910 0.300 1 370 37 37 LYS CD C 29.571 0.300 1 371 37 37 LYS CE C 42.067 0.300 1 372 37 37 LYS N N 121.798 0.300 1 373 38 38 GLU H H 7.730 0.030 1 374 38 38 GLU HA H 4.103 0.030 1 375 38 38 GLU HB2 H 2.160 0.030 2 376 38 38 GLU HB3 H 2.295 0.030 2 377 38 38 GLU HG2 H 2.503 0.030 1 378 38 38 GLU HG3 H 2.503 0.030 1 379 38 38 GLU C C 180.119 0.300 1 380 38 38 GLU CA C 60.048 0.300 1 381 38 38 GLU CB C 30.047 0.300 1 382 38 38 GLU CG C 36.395 0.300 1 383 38 38 GLU N N 120.547 0.300 1 384 39 39 VAL H H 8.473 0.030 1 385 39 39 VAL HA H 3.412 0.030 1 386 39 39 VAL HB H 2.194 0.030 1 387 39 39 VAL HG1 H 0.843 0.030 1 388 39 39 VAL HG2 H 1.033 0.030 1 389 39 39 VAL C C 177.188 0.300 1 390 39 39 VAL CA C 67.187 0.300 1 391 39 39 VAL CB C 32.114 0.300 1 392 39 39 VAL CG1 C 20.901 0.300 2 393 39 39 VAL CG2 C 23.842 0.300 2 394 39 39 VAL N N 120.262 0.300 1 395 40 40 CYS H H 8.952 0.030 1 396 40 40 CYS HA H 3.973 0.030 1 397 40 40 CYS HB2 H 3.120 0.030 2 398 40 40 CYS HB3 H 2.679 0.030 2 399 40 40 CYS C C 176.679 0.300 1 400 40 40 CYS CA C 65.317 0.300 1 401 40 40 CYS CB C 27.123 0.300 1 402 40 40 CYS N N 116.721 0.300 1 403 41 41 THR H H 8.383 0.030 1 404 41 41 THR HA H 3.873 0.030 1 405 41 41 THR HB H 4.224 0.030 1 406 41 41 THR HG2 H 1.231 0.030 1 407 41 41 THR C C 175.432 0.300 1 408 41 41 THR CA C 67.490 0.300 1 409 41 41 THR CB C 68.768 0.300 1 410 41 41 THR CG2 C 21.473 0.300 1 411 41 41 THR N N 116.411 0.300 1 412 42 42 ALA H H 7.619 0.030 1 413 42 42 ALA HA H 4.103 0.030 1 414 42 42 ALA HB H 1.502 0.030 1 415 42 42 ALA C C 180.289 0.300 1 416 42 42 ALA CA C 55.121 0.300 1 417 42 42 ALA CB C 18.059 0.300 1 418 42 42 ALA N N 123.011 0.300 1 419 43 43 LEU H H 8.001 0.030 1 420 43 43 LEU HA H 3.953 0.030 1 421 43 43 LEU HB2 H 2.103 0.030 2 422 43 43 LEU HB3 H 1.142 0.030 2 423 43 43 LEU HG H 2.023 0.030 1 424 43 43 LEU HD1 H 0.834 0.030 1 425 43 43 LEU HD2 H 0.883 0.030 1 426 43 43 LEU CA C 57.995 0.300 1 427 43 43 LEU CB C 42.161 0.300 1 428 43 43 LEU CG C 26.605 0.300 1 429 43 43 LEU CD1 C 24.100 0.300 2 430 43 43 LEU CD2 C 27.716 0.300 2 431 43 43 LEU N N 117.067 0.300 1 432 44 44 LEU H H 8.353 0.030 1 433 44 44 LEU HA H 4.224 0.030 1 434 44 44 LEU HB2 H 2.052 0.030 2 435 44 44 LEU HB3 H 1.581 0.030 2 436 44 44 LEU HG H 1.923 0.030 1 437 44 44 LEU HD1 H 0.983 0.030 1 438 44 44 LEU HD2 H 0.929 0.030 1 439 44 44 LEU C C 182.336 0.300 1 440 44 44 LEU CA C 58.254 0.300 1 441 44 44 LEU CB C 41.303 0.300 1 442 44 44 LEU CG C 27.082 0.300 1 443 44 44 LEU CD1 C 23.077 0.300 2 444 44 44 LEU CD2 C 25.511 0.300 2 445 44 44 LEU N N 121.116 0.300 1 446 45 45 GLU H H 8.433 0.030 1 447 45 45 GLU HA H 4.124 0.030 1 448 45 45 GLU HB2 H 2.203 0.030 2 449 45 45 GLU HB3 H 2.063 0.030 2 450 45 45 GLU HG2 H 2.281 0.030 2 451 45 45 GLU HG3 H 2.594 0.030 2 452 45 45 GLU C C 176.813 0.300 1 453 45 45 GLU CA C 58.751 0.300 1 454 45 45 GLU CB C 29.279 0.300 1 455 45 45 GLU CG C 37.134 0.300 1 456 45 45 GLU N N 120.681 0.300 1 457 46 46 ALA H H 7.423 0.030 1 458 46 46 ALA HA H 4.547 0.030 1 459 46 46 ALA HB H 1.564 0.030 1 460 46 46 ALA C C 175.710 0.300 1 461 46 46 ALA CA C 51.515 0.300 1 462 46 46 ALA CB C 19.269 0.300 1 463 46 46 ALA N N 121.630 0.300 1 464 47 47 ASP H H 7.943 0.030 1 465 47 47 ASP HA H 4.382 0.030 1 466 47 47 ASP HB2 H 3.103 0.030 2 467 47 47 ASP HB3 H 2.753 0.030 2 468 47 47 ASP C C 175.456 0.300 1 469 47 47 ASP CA C 55.866 0.300 1 470 47 47 ASP CB C 39.060 0.300 1 471 47 47 ASP N N 113.784 0.300 1 472 48 48 VAL H H 7.731 0.030 1 473 48 48 VAL HA H 3.833 0.030 1 474 48 48 VAL HB H 1.493 0.030 1 475 48 48 VAL HG1 H 1.033 0.030 1 476 48 48 VAL HG2 H 0.943 0.030 1 477 48 48 VAL C C 175.892 0.300 1 478 48 48 VAL CA C 63.351 0.300 1 479 48 48 VAL CB C 31.046 0.300 1 480 48 48 VAL CG1 C 22.501 0.300 2 481 48 48 VAL CG2 C 22.662 0.300 2 482 48 48 VAL N N 120.417 0.300 1 483 49 49 ASN H H 8.493 0.030 1 484 49 49 ASN HA H 4.396 0.030 1 485 49 49 ASN HB2 H 3.043 0.030 2 486 49 49 ASN HB3 H 2.572 0.030 2 487 49 49 ASN HD21 H 8.001 0.030 2 488 49 49 ASN HD22 H 7.113 0.030 2 489 49 49 ASN C C 177.079 0.300 1 490 49 49 ASN CA C 55.152 0.300 1 491 49 49 ASN CB C 40.581 0.300 1 492 49 49 ASN N N 126.137 0.300 1 493 49 49 ASN ND2 N 114.600 0.300 1 494 50 50 ILE H H 8.745 0.030 1 495 50 50 ILE HA H 3.909 0.030 1 496 50 50 ILE HB H 1.936 0.030 1 497 50 50 ILE HG12 H 1.328 0.030 2 498 50 50 ILE HG13 H 1.479 0.030 2 499 50 50 ILE HG2 H 1.021 0.030 1 500 50 50 ILE HD1 H 0.987 0.030 1 501 50 50 ILE C C 176.074 0.300 1 502 50 50 ILE CA C 63.884 0.300 1 503 50 50 ILE CB C 38.197 0.300 1 504 50 50 ILE CG1 C 29.161 0.300 1 505 50 50 ILE CG2 C 17.355 0.300 1 506 50 50 ILE CD1 C 14.316 0.300 1 507 50 50 ILE N N 125.953 0.300 1 508 51 51 LYS H H 8.340 0.030 1 509 51 51 LYS HA H 4.021 0.030 1 510 51 51 LYS HB2 H 1.874 0.030 2 511 51 51 LYS HB3 H 1.803 0.030 2 512 51 51 LYS HG2 H 1.555 0.030 2 513 51 51 LYS HG3 H 1.394 0.030 2 514 51 51 LYS HD2 H 1.705 0.030 2 515 51 51 LYS HE2 H 2.971 0.030 2 516 51 51 LYS C C 179.853 0.300 1 517 51 51 LYS CA C 59.805 0.300 1 518 51 51 LYS CB C 32.155 0.300 1 519 51 51 LYS CG C 25.297 0.300 1 520 51 51 LYS CD C 28.996 0.300 1 521 51 51 LYS CE C 42.067 0.300 1 522 51 51 LYS N N 121.833 0.300 1 523 52 52 LEU H H 7.443 0.030 1 524 52 52 LEU HA H 4.152 0.030 1 525 52 52 LEU HB2 H 1.964 0.030 2 526 52 52 LEU HB3 H 1.512 0.030 2 527 52 52 LEU HG H 1.705 0.030 1 528 52 52 LEU HD1 H 1.023 0.030 1 529 52 52 LEU HD2 H 0.882 0.030 1 530 52 52 LEU C C 179.550 0.300 1 531 52 52 LEU CA C 57.042 0.300 1 532 52 52 LEU CB C 41.421 0.300 1 533 52 52 LEU CG C 27.472 0.300 1 534 52 52 LEU CD1 C 25.395 0.300 2 535 52 52 LEU CD2 C 22.950 0.300 2 536 52 52 LEU N N 118.919 0.300 1 537 53 53 VAL H H 7.723 0.030 1 538 53 53 VAL HA H 3.402 0.030 1 539 53 53 VAL HB H 2.163 0.030 1 540 53 53 VAL HG1 H 1.058 0.030 1 541 53 53 VAL HG2 H 0.903 0.030 1 542 53 53 VAL C C 177.055 0.300 1 543 53 53 VAL CA C 67.597 0.300 1 544 53 53 VAL CB C 31.914 0.300 1 545 53 53 VAL CG1 C 22.438 0.300 2 546 53 53 VAL CG2 C 24.230 0.300 2 547 53 53 VAL N N 120.831 0.300 1 548 54 54 LYS H H 8.300 0.030 1 549 54 54 LYS HA H 3.929 0.030 1 550 54 54 LYS HB2 H 1.874 0.030 1 551 54 54 LYS HB3 H 1.874 0.030 1 552 54 54 LYS HG2 H 1.388 0.030 1 553 54 54 LYS HG3 H 1.388 0.030 1 554 54 54 LYS HD2 H 1.656 0.030 1 555 54 54 LYS HD3 H 1.656 0.030 1 556 54 54 LYS HE2 H 2.972 0.030 1 557 54 54 LYS HE3 H 2.972 0.030 1 558 54 54 LYS C C 178.932 0.300 1 559 54 54 LYS CA C 59.994 0.300 1 560 54 54 LYS CB C 32.361 0.300 1 561 54 54 LYS CG C 25.461 0.300 1 562 54 54 LYS CD C 29.571 0.300 1 563 54 54 LYS CE C 42.149 0.300 1 564 54 54 LYS N N 118.587 0.300 1 565 55 55 GLN H H 7.513 0.030 1 566 55 55 GLN HA H 3.993 0.030 1 567 55 55 GLN HB2 H 2.173 0.030 1 568 55 55 GLN HB3 H 2.173 0.030 1 569 55 55 GLN HG2 H 2.423 0.030 2 570 55 55 GLN HG3 H 2.357 0.030 2 571 55 55 GLN HE21 H 7.621 0.030 2 572 55 55 GLN HE22 H 6.914 0.030 2 573 55 55 GLN C C 177.188 0.300 1 574 55 55 GLN CA C 58.485 0.300 1 575 55 55 GLN CB C 29.032 0.300 1 576 55 55 GLN CG C 34.422 0.300 1 577 55 55 GLN N N 118.112 0.300 1 578 55 55 GLN NE2 N 113.332 0.300 1 579 56 56 LEU H H 8.093 0.030 1 580 56 56 LEU HA H 4.002 0.030 1 581 56 56 LEU HB2 H 1.886 0.030 2 582 56 56 LEU HB3 H 1.819 0.030 2 583 56 56 LEU HG H 1.613 0.030 1 584 56 56 LEU HD1 H 0.749 0.030 1 585 56 56 LEU HD2 H 0.682 0.030 1 586 56 56 LEU C C 178.278 0.300 1 587 56 56 LEU CA C 59.755 0.300 1 588 56 56 LEU CB C 40.786 0.300 1 589 56 56 LEU CD1 C 27.408 0.300 2 590 56 56 LEU CD2 C 24.743 0.300 2 591 56 56 LEU N N 121.520 0.300 1 592 57 57 ARG H H 8.023 0.030 1 593 57 57 ARG HA H 3.614 0.030 1 594 57 57 ARG HB2 H 1.993 0.030 2 595 57 57 ARG HB3 H 1.933 0.030 2 596 57 57 ARG HG2 H 1.603 0.030 2 597 57 57 ARG HG3 H 1.564 0.030 2 598 57 57 ARG HD2 H 3.236 0.030 1 599 57 57 ARG HD3 H 3.236 0.030 1 600 57 57 ARG C C 177.854 0.300 1 601 57 57 ARG CA C 60.303 0.300 1 602 57 57 ARG CB C 30.142 0.300 1 603 57 57 ARG CG C 27.845 0.300 1 604 57 57 ARG CD C 43.547 0.300 1 605 57 57 ARG N N 118.736 0.300 1 606 58 58 GLU H H 7.869 0.030 1 607 58 58 GLU HA H 3.983 0.030 1 608 58 58 GLU HB2 H 2.063 0.030 1 609 58 58 GLU HB3 H 2.063 0.030 1 610 58 58 GLU HG2 H 2.424 0.030 2 611 58 58 GLU HG3 H 2.353 0.030 2 612 58 58 GLU C C 179.477 0.300 1 613 58 58 GLU CA C 58.857 0.300 1 614 58 58 GLU CB C 29.197 0.300 1 615 58 58 GLU CG C 36.148 0.300 1 616 58 58 GLU N N 116.916 0.300 1 617 59 59 ASN H H 8.842 0.030 1 618 59 59 ASN HA H 4.407 0.030 1 619 59 59 ASN HB2 H 2.963 0.030 2 620 59 59 ASN HB3 H 2.731 0.030 2 621 59 59 ASN HD21 H 8.071 0.030 2 622 59 59 ASN HD22 H 6.872 0.030 2 623 59 59 ASN C C 179.259 0.300 1 624 59 59 ASN CA C 55.205 0.300 1 625 59 59 ASN CB C 36.627 0.300 1 626 59 59 ASN N N 119.989 0.300 1 627 59 59 ASN ND2 N 110.448 0.300 1 628 60 60 VAL H H 8.563 0.030 1 629 60 60 VAL HA H 3.577 0.030 1 630 60 60 VAL HB H 2.106 0.030 1 631 60 60 VAL HG1 H 0.843 0.030 1 632 60 60 VAL HG2 H 0.973 0.030 1 633 60 60 VAL C C 177.067 0.300 1 634 60 60 VAL CA C 67.215 0.300 1 635 60 60 VAL CB C 31.402 0.300 1 636 60 60 VAL CG1 C 22.419 0.300 2 637 60 60 VAL CG2 C 23.706 0.300 2 638 60 60 VAL N N 121.096 0.300 1 639 61 61 LYS H H 7.912 0.030 1 640 61 61 LYS HA H 3.853 0.030 1 641 61 61 LYS HB2 H 1.963 0.030 2 642 61 61 LYS HB3 H 1.843 0.030 2 643 61 61 LYS HG2 H 1.388 0.030 2 644 61 61 LYS HG3 H 1.623 0.030 2 645 61 61 LYS HD2 H 1.603 0.030 2 646 61 61 LYS HD3 H 1.684 0.030 2 647 61 61 LYS HE2 H 2.977 0.030 1 648 61 61 LYS HE3 H 2.977 0.030 1 649 61 61 LYS C C 178.908 0.300 1 650 61 61 LYS CA C 60.019 0.300 1 651 61 61 LYS CB C 31.481 0.300 1 652 61 61 LYS CG C 25.214 0.300 1 653 61 61 LYS CD C 28.667 0.300 1 654 61 61 LYS CE C 41.491 0.300 1 655 61 61 LYS N N 117.103 0.300 1 656 62 62 SER H H 8.087 0.030 1 657 62 62 SER HA H 4.303 0.030 1 658 62 62 SER HB2 H 4.007 0.030 2 659 62 62 SER HB3 H 3.954 0.030 2 660 62 62 SER C C 175.177 0.300 1 661 62 62 SER CA C 60.694 0.300 1 662 62 62 SER CB C 63.424 0.300 1 663 62 62 SER N N 111.541 0.300 1 664 63 63 ALA H H 7.533 0.030 1 665 63 63 ALA HA H 4.283 0.030 1 666 63 63 ALA HB H 1.543 0.030 1 667 63 63 ALA C C 178.036 0.300 1 668 63 63 ALA CA C 53.512 0.300 1 669 63 63 ALA CB C 19.538 0.300 1 670 63 63 ALA N N 122.467 0.300 1 671 64 64 ILE H H 7.402 0.030 1 672 64 64 ILE HA H 4.092 0.030 1 673 64 64 ILE HB H 1.928 0.030 1 674 64 64 ILE HG12 H 1.370 0.030 2 675 64 64 ILE HG13 H 1.446 0.030 2 676 64 64 ILE HG2 H 0.797 0.030 1 677 64 64 ILE HD1 H 0.736 0.030 1 678 64 64 ILE C C 174.511 0.300 1 679 64 64 ILE CA C 60.276 0.300 1 680 64 64 ILE CB C 38.567 0.300 1 681 64 64 ILE CG1 C 26.969 0.300 1 682 64 64 ILE CG2 C 17.704 0.300 1 683 64 64 ILE CD1 C 13.494 0.300 1 684 64 64 ILE N N 116.722 0.300 1 685 65 65 ASP H H 8.221 0.030 1 686 65 65 ASP HA H 4.754 0.030 1 687 65 65 ASP HB2 H 2.863 0.030 2 688 65 65 ASP HB3 H 2.593 0.030 2 689 65 65 ASP C C 177.273 0.300 1 690 65 65 ASP CA C 53.494 0.300 1 691 65 65 ASP CB C 40.951 0.300 1 692 65 65 ASP N N 124.650 0.300 1 693 66 66 LEU H H 8.631 0.030 1 694 66 66 LEU HA H 4.093 0.030 1 695 66 66 LEU HB2 H 1.821 0.030 2 696 66 66 LEU HB3 H 1.606 0.030 2 697 66 66 LEU HG H 1.723 0.030 1 698 66 66 LEU HD1 H 0.853 0.030 1 699 66 66 LEU HD2 H 0.778 0.030 1 700 66 66 LEU C C 178.387 0.300 1 701 66 66 LEU CA C 56.698 0.300 1 702 66 66 LEU CB C 41.902 0.300 1 703 66 66 LEU CG C 26.802 0.300 1 704 66 66 LEU CD1 C 25.352 0.300 2 705 66 66 LEU CD2 C 23.241 0.300 2 706 66 66 LEU N N 123.357 0.300 1 707 67 67 GLU H H 8.243 0.030 1 708 67 67 GLU HA H 4.264 0.030 1 709 67 67 GLU HB2 H 2.071 0.030 2 710 67 67 GLU HB3 H 2.163 0.030 2 711 67 67 GLU HG2 H 2.334 0.030 2 712 67 67 GLU HG3 H 2.281 0.030 2 713 67 67 GLU C C 177.600 0.300 1 714 67 67 GLU CA C 57.341 0.300 1 715 67 67 GLU CB C 29.630 0.300 1 716 67 67 GLU CG C 36.312 0.300 1 717 67 67 GLU N N 118.648 0.300 1 718 68 68 GLU H H 7.752 0.030 1 719 68 68 GLU HA H 4.193 0.030 1 720 68 68 GLU HB2 H 2.060 0.030 1 721 68 68 GLU HB3 H 2.060 0.030 1 722 68 68 GLU HG2 H 2.286 0.030 1 723 68 68 GLU HG3 H 2.286 0.030 1 724 68 68 GLU C C 177.309 0.300 1 725 68 68 GLU CA C 57.254 0.300 1 726 68 68 GLU CB C 29.772 0.300 1 727 68 68 GLU CG C 35.984 0.300 1 728 68 68 GLU N N 120.365 0.300 1 729 69 69 MET H H 8.258 0.030 1 730 69 69 MET HA H 4.446 0.030 1 731 69 69 MET HB2 H 2.090 0.030 1 732 69 69 MET HB3 H 2.090 0.030 1 733 69 69 MET HG2 H 2.674 0.030 2 734 69 69 MET HG3 H 2.577 0.030 2 735 69 69 MET HE H 2.098 0.030 1 736 69 69 MET C C 176.219 0.300 1 737 69 69 MET CA C 56.085 0.300 1 738 69 69 MET CB C 32.938 0.300 1 739 69 69 MET CG C 32.413 0.300 1 740 69 69 MET CE C 17.495 0.300 1 741 69 69 MET N N 120.137 0.300 1 742 70 70 ALA H H 8.040 0.030 1 743 70 70 ALA HA H 4.384 0.030 1 744 70 70 ALA HB H 1.471 0.030 1 745 70 70 ALA C C 177.903 0.300 1 746 70 70 ALA CA C 52.919 0.300 1 747 70 70 ALA CB C 19.662 0.300 1 748 70 70 ALA N N 123.997 0.300 1 749 71 71 SER H H 8.438 0.030 1 750 71 71 SER HA H 4.454 0.030 1 751 71 71 SER HB2 H 4.043 0.030 2 752 71 71 SER HB3 H 3.975 0.030 2 753 71 71 SER C C 175.408 0.300 1 754 71 71 SER CA C 58.669 0.300 1 755 71 71 SER CB C 64.225 0.300 1 756 71 71 SER N N 114.336 0.300 1 757 72 72 GLY H H 8.492 0.030 1 758 72 72 GLY HA2 H 4.093 0.030 2 759 72 72 GLY HA3 H 3.940 0.030 2 760 72 72 GLY C C 175.044 0.300 1 761 72 72 GLY CA C 46.313 0.300 1 762 72 72 GLY N N 110.702 0.300 1 763 73 73 LEU H H 8.163 0.030 1 764 73 73 LEU HA H 4.256 0.030 1 765 73 73 LEU HB2 H 1.700 0.030 2 766 73 73 LEU HB3 H 1.590 0.030 2 767 73 73 LEU HG H 1.635 0.030 1 768 73 73 LEU HD1 H 0.914 0.030 1 769 73 73 LEU HD2 H 0.963 0.030 1 770 73 73 LEU C C 177.939 0.300 1 771 73 73 LEU CA C 56.540 0.300 1 772 73 73 LEU CB C 42.407 0.300 1 773 73 73 LEU CG C 27.105 0.300 1 774 73 73 LEU CD1 C 23.954 0.300 2 775 73 73 LEU CD2 C 24.743 0.300 2 776 73 73 LEU N N 121.924 0.300 1 777 74 74 ASN H H 8.415 0.030 1 778 74 74 ASN HA H 4.662 0.030 1 779 74 74 ASN HB2 H 2.874 0.030 2 780 74 74 ASN HB3 H 2.944 0.030 2 781 74 74 ASN HD21 H 7.773 0.030 2 782 74 74 ASN HD22 H 7.039 0.030 2 783 74 74 ASN C C 176.801 0.300 1 784 74 74 ASN CA C 54.260 0.300 1 785 74 74 ASN CB C 38.135 0.300 1 786 74 74 ASN N N 118.614 0.300 1 787 74 74 ASN ND2 N 113.159 0.300 1 788 75 75 LYS H H 8.351 0.030 1 789 75 75 LYS HA H 4.074 0.030 1 790 75 75 LYS HB2 H 1.813 0.030 2 791 75 75 LYS HB3 H 1.933 0.030 2 792 75 75 LYS HG2 H 1.610 0.030 2 793 75 75 LYS HG3 H 1.473 0.030 2 794 75 75 LYS HD2 H 1.704 0.030 1 795 75 75 LYS HD3 H 1.704 0.030 1 796 75 75 LYS HE2 H 3.070 0.030 1 797 75 75 LYS HE3 H 3.070 0.030 1 798 75 75 LYS C C 178.024 0.300 1 799 75 75 LYS CA C 59.249 0.300 1 800 75 75 LYS CB C 32.690 0.300 1 801 75 75 LYS CG C 25.461 0.300 1 802 75 75 LYS CD C 29.407 0.300 1 803 75 75 LYS CE C 42.396 0.300 1 804 75 75 LYS N N 122.492 0.300 1 805 76 76 ARG H H 8.213 0.030 1 806 76 76 ARG HA H 3.812 0.030 1 807 76 76 ARG HB2 H 1.913 0.030 1 808 76 76 ARG HB3 H 1.913 0.030 1 809 76 76 ARG HG2 H 1.753 0.030 2 810 76 76 ARG HG3 H 1.552 0.030 2 811 76 76 ARG HD2 H 3.244 0.030 1 812 76 76 ARG HD3 H 3.244 0.030 1 813 76 76 ARG C C 178.314 0.300 1 814 76 76 ARG CA C 60.423 0.300 1 815 76 76 ARG CB C 29.567 0.300 1 816 76 76 ARG CG C 28.092 0.300 1 817 76 76 ARG CD C 43.439 0.300 1 818 76 76 ARG N N 117.853 0.300 1 819 77 77 LYS H H 7.873 0.030 1 820 77 77 LYS HA H 4.033 0.030 1 821 77 77 LYS HB2 H 1.873 0.030 2 822 77 77 LYS HB3 H 1.805 0.030 2 823 77 77 LYS HG2 H 1.373 0.030 2 824 77 77 LYS HG3 H 1.523 0.030 2 825 77 77 LYS HD2 H 1.683 0.030 2 826 77 77 LYS HE2 H 2.962 0.030 2 827 77 77 LYS C C 178.726 0.300 1 828 77 77 LYS CA C 59.104 0.300 1 829 77 77 LYS CB C 32.379 0.300 1 830 77 77 LYS CG C 25.242 0.300 1 831 77 77 LYS N N 118.962 0.300 1 832 78 78 MET H H 8.043 0.030 1 833 78 78 MET HA H 4.243 0.030 1 834 78 78 MET HB2 H 2.253 0.030 2 835 78 78 MET HB3 H 2.177 0.030 2 836 78 78 MET HG2 H 2.616 0.030 2 837 78 78 MET HG3 H 2.774 0.030 2 838 78 78 MET HE H 2.136 0.030 1 839 78 78 MET C C 179.550 0.300 1 840 78 78 MET CA C 58.741 0.300 1 841 78 78 MET CB C 32.492 0.300 1 842 78 78 MET CG C 32.088 0.300 1 843 78 78 MET CE C 17.337 0.300 1 844 78 78 MET N N 118.698 0.300 1 845 79 79 ILE H H 8.200 0.030 1 846 79 79 ILE HA H 3.585 0.030 1 847 79 79 ILE HB H 1.861 0.030 1 848 79 79 ILE HG12 H 0.908 0.030 2 849 79 79 ILE HG13 H 1.943 0.030 2 850 79 79 ILE HG2 H 0.753 0.030 1 851 79 79 ILE HD1 H 0.824 0.030 1 852 79 79 ILE C C 176.982 0.300 1 853 79 79 ILE CA C 65.672 0.300 1 854 79 79 ILE CB C 37.827 0.300 1 855 79 79 ILE CG1 C 29.668 0.300 1 856 79 79 ILE CG2 C 18.391 0.300 1 857 79 79 ILE CD1 C 14.856 0.300 1 858 79 79 ILE N N 120.724 0.300 1 859 80 80 GLN H H 8.044 0.030 1 860 80 80 GLN HA H 3.645 0.030 1 861 80 80 GLN HB2 H 2.213 0.030 2 862 80 80 GLN HB3 H 2.113 0.030 2 863 80 80 GLN HG2 H 2.164 0.030 2 864 80 80 GLN HG3 H 2.363 0.030 2 865 80 80 GLN HE21 H 7.133 0.030 2 866 80 80 GLN HE22 H 6.929 0.030 2 867 80 80 GLN C C 177.321 0.300 1 868 80 80 GLN CA C 60.126 0.300 1 869 80 80 GLN CB C 28.246 0.300 1 870 80 80 GLN CG C 34.475 0.300 1 871 80 80 GLN N N 118.249 0.300 1 872 80 80 GLN NE2 N 110.730 0.300 1 873 81 81 HIS H H 8.324 0.030 1 874 81 81 HIS HA H 4.434 0.030 1 875 81 81 HIS HB2 H 3.325 0.030 2 876 81 81 HIS HB3 H 3.282 0.030 2 877 81 81 HIS HD2 H 7.195 0.030 1 878 81 81 HIS HE1 H 8.159 0.030 1 879 81 81 HIS C C 177.188 0.300 1 880 81 81 HIS CA C 59.345 0.300 1 881 81 81 HIS CB C 29.656 0.300 1 882 81 81 HIS CD2 C 120.168 0.300 1 883 81 81 HIS CE1 C 137.577 0.300 1 884 81 81 HIS N N 116.127 0.300 1 885 82 82 ALA H H 8.043 0.030 1 886 82 82 ALA HA H 4.114 0.030 1 887 82 82 ALA HB H 1.575 0.030 1 888 82 82 ALA C C 179.780 0.300 1 889 82 82 ALA CA C 55.296 0.300 1 890 82 82 ALA CB C 18.305 0.300 1 891 82 82 ALA N N 121.286 0.300 1 892 83 83 VAL H H 8.163 0.030 1 893 83 83 VAL HA H 3.413 0.030 1 894 83 83 VAL HB H 2.031 0.030 1 895 83 83 VAL HG1 H 0.726 0.030 1 896 83 83 VAL HG2 H 0.981 0.030 1 897 83 83 VAL C C 177.660 0.300 1 898 83 83 VAL CA C 66.916 0.300 1 899 83 83 VAL CB C 31.475 0.300 1 900 83 83 VAL CG1 C 21.157 0.300 2 901 83 83 VAL CG2 C 23.592 0.300 2 902 83 83 VAL N N 116.687 0.300 1 903 84 84 PHE H H 8.345 0.030 1 904 84 84 PHE HA H 4.226 0.030 1 905 84 84 PHE HB2 H 3.211 0.030 2 906 84 84 PHE HB3 H 3.133 0.030 2 907 84 84 PHE HD1 H 7.182 0.030 1 908 84 84 PHE HD2 H 7.182 0.030 1 909 84 84 PHE HE1 H 7.172 0.030 1 910 84 84 PHE HE2 H 7.172 0.030 1 911 84 84 PHE HZ H 7.174 0.030 1 912 84 84 PHE C C 178.895 0.300 1 913 84 84 PHE CA C 61.771 0.300 1 914 84 84 PHE CB C 38.043 0.300 1 915 84 84 PHE CD1 C 131.077 0.300 1 916 84 84 PHE CD2 C 131.077 0.300 1 917 84 84 PHE CE1 C 131.077 0.300 1 918 84 84 PHE CE2 C 131.077 0.300 1 919 84 84 PHE CZ C 129.689 0.300 1 920 84 84 PHE N N 118.271 0.300 1 921 85 85 LYS H H 8.264 0.030 1 922 85 85 LYS HA H 3.974 0.030 1 923 85 85 LYS HB2 H 1.872 0.030 2 924 85 85 LYS HB3 H 1.731 0.030 2 925 85 85 LYS HG2 H 1.363 0.030 2 926 85 85 LYS HG3 H 1.483 0.030 2 927 85 85 LYS HD2 H 1.583 0.030 2 928 85 85 LYS C C 179.501 0.300 1 929 85 85 LYS CA C 59.519 0.300 1 930 85 85 LYS CB C 33.197 0.300 1 931 85 85 LYS CG C 24.952 0.300 1 932 85 85 LYS N N 118.556 0.300 1 933 86 86 GLU H H 7.592 0.030 1 934 86 86 GLU HA H 4.134 0.030 1 935 86 86 GLU HB2 H 1.844 0.030 2 936 86 86 GLU HB3 H 2.222 0.030 2 937 86 86 GLU HG2 H 2.613 0.030 2 938 86 86 GLU HG3 H 2.231 0.030 2 939 86 86 GLU CA C 58.010 0.300 1 940 86 86 GLU CB C 29.352 0.300 1 941 86 86 GLU CG C 36.592 0.300 1 942 86 86 GLU N N 116.892 0.300 1 943 87 87 LEU H H 8.344 0.030 1 944 87 87 LEU HA H 3.943 0.030 1 945 87 87 LEU HB2 H 1.281 0.030 2 946 87 87 LEU HB3 H 1.891 0.030 2 947 87 87 LEU HG H 1.752 0.030 1 948 87 87 LEU HD1 H 0.585 0.030 1 949 87 87 LEU HD2 H 0.615 0.030 1 950 87 87 LEU CA C 57.597 0.300 1 951 87 87 LEU CB C 41.459 0.300 1 952 87 87 LEU CG C 26.536 0.300 1 953 87 87 LEU CD1 C 26.692 0.300 2 954 87 87 LEU CD2 C 23.771 0.300 2 955 87 87 LEU N N 120.974 0.300 1 956 88 88 VAL H H 7.697 0.030 1 957 88 88 VAL HA H 3.873 0.030 1 958 88 88 VAL HB H 2.155 0.030 1 959 88 88 VAL HG1 H 0.969 0.030 1 960 88 88 VAL CA C 65.597 0.300 1 961 88 88 VAL CB C 31.802 0.300 1 962 88 88 VAL CG1 C 21.338 0.300 2 963 88 88 VAL N N 117.949 0.300 1 964 89 89 LYS H H 7.355 0.030 1 965 89 89 LYS HA H 4.104 0.030 1 966 89 89 LYS HB2 H 2.007 0.030 2 967 89 89 LYS HG2 H 1.473 0.030 2 968 89 89 LYS HG3 H 1.604 0.030 2 969 89 89 LYS HD2 H 1.593 0.030 2 970 89 89 LYS HE2 H 2.933 0.030 1 971 89 89 LYS HE3 H 2.933 0.030 1 972 89 89 LYS CA C 58.889 0.300 1 973 89 89 LYS CB C 32.661 0.300 1 974 89 89 LYS CG C 25.492 0.300 1 975 89 89 LYS N N 119.049 0.300 1 976 90 90 VAL H H 7.456 0.030 1 977 90 90 VAL HA H 4.310 0.030 1 978 90 90 VAL HB H 2.493 0.030 1 979 90 90 VAL HG1 H 1.027 0.030 1 980 90 90 VAL HG2 H 0.963 0.030 1 981 90 90 VAL CA C 61.523 0.300 1 982 90 90 VAL CB C 30.966 0.300 1 983 90 90 VAL CG1 C 20.505 0.300 2 984 90 90 VAL CG2 C 22.694 0.300 2 985 90 90 VAL N N 112.495 0.300 1 986 91 91 LYS H H 7.917 0.030 1 987 91 91 LYS HA H 3.983 0.030 1 988 91 91 LYS HB2 H 2.053 0.030 2 989 91 91 LYS HB3 H 1.912 0.030 2 990 91 91 LYS HG2 H 1.383 0.030 2 991 91 91 LYS HD2 H 1.713 0.030 2 992 91 91 LYS CA C 57.872 0.300 1 993 91 91 LYS N N 118.345 0.300 1 994 92 92 VAL H H 7.675 0.030 1 995 92 92 VAL HA H 4.111 0.030 1 996 92 92 VAL HB H 2.010 0.030 1 997 92 92 VAL HG1 H 1.007 0.030 1 998 92 92 VAL HG2 H 0.820 0.030 1 999 92 92 VAL CA C 62.372 0.300 1 1000 92 92 VAL CB C 32.426 0.300 1 1001 92 92 VAL CG2 C 21.159 0.300 2 1002 92 92 VAL N N 115.169 0.300 1 1003 93 93 TYR H H 7.712 0.030 1 1004 93 93 TYR HA H 4.640 0.030 1 1005 93 93 TYR HB2 H 2.740 0.030 2 1006 93 93 TYR HB3 H 2.990 0.030 2 1007 93 93 TYR HD1 H 7.034 0.030 1 1008 93 93 TYR HD2 H 7.034 0.030 1 1009 93 93 TYR HE1 H 6.721 0.030 1 1010 93 93 TYR HE2 H 6.721 0.030 1 1011 93 93 TYR C C 174.996 0.300 1 1012 93 93 TYR CA C 57.271 0.300 1 1013 93 93 TYR CB C 39.984 0.300 1 1014 93 93 TYR CD1 C 132.981 0.300 1 1015 93 93 TYR CD2 C 132.981 0.300 1 1016 93 93 TYR CE1 C 118.153 0.300 1 1017 93 93 TYR CE2 C 118.153 0.300 1 1018 93 93 TYR N N 121.400 0.300 1 1019 94 94 SER H H 8.166 0.030 1 1020 94 94 SER HA H 4.423 0.030 1 1021 94 94 SER HB2 H 3.773 0.030 2 1022 94 94 SER HB3 H 3.706 0.030 2 1023 94 94 SER C C 173.906 0.300 1 1024 94 94 SER CA C 57.703 0.300 1 1025 94 94 SER CB C 64.107 0.300 1 1026 94 94 SER N N 119.011 0.300 1 1027 95 95 GLY H H 7.128 0.030 1 1028 95 95 GLY HA2 H 3.941 0.030 1 1029 95 95 GLY HA3 H 3.941 0.030 1 1030 95 95 GLY C C 171.193 0.300 1 1031 95 95 GLY CA C 44.634 0.300 1 1032 95 95 GLY N N 109.334 0.300 1 1033 96 96 PRO HA H 4.454 0.030 1 1034 96 96 PRO HB2 H 2.263 0.030 2 1035 96 96 PRO HB3 H 1.962 0.030 2 1036 96 96 PRO HG2 H 1.981 0.030 1 1037 96 96 PRO HG3 H 1.981 0.030 1 1038 96 96 PRO HD2 H 3.561 0.030 1 1039 96 96 PRO HD3 H 3.561 0.030 1 1040 96 96 PRO C C 177.370 0.300 1 1041 96 96 PRO CA C 63.171 0.300 1 1042 96 96 PRO CB C 32.097 0.300 1 1043 96 96 PRO CG C 27.105 0.300 1 1044 96 96 PRO CD C 49.728 0.300 1 1045 97 97 SER H H 8.442 0.030 1 1046 97 97 SER HA H 4.382 0.030 1 1047 97 97 SER HB2 H 3.825 0.030 1 1048 97 97 SER HB3 H 3.825 0.030 1 1049 97 97 SER C C 174.427 0.300 1 1050 97 97 SER CA C 58.297 0.300 1 1051 97 97 SER CB C 63.801 0.300 1 1052 97 97 SER N N 116.139 0.300 1 1053 98 98 SER H H 8.100 0.030 1 1054 98 98 SER C C 173.809 0.300 1 1055 98 98 SER CA C 58.233 0.300 1 1056 98 98 SER CB C 64.107 0.300 1 1057 98 98 SER N N 117.134 0.300 1 stop_ save_