data_10049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal Domain I of mouse transcription elongation factor S-II protein 3 ; _BMRB_accession_number 10049 _BMRB_flat_file_name bmr10049.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-09 _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 Yoneyama M. . . 2 Tochio N. . . 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" 593 "13C chemical shifts" 433 "15N chemical shifts" 100 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 I of mouse transcription elongation factor S-II protein 3 ; _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 Yoneyama M. . . 2 Tochio N. . . 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 'Transcription elongation factor S-II protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Transcription elongation factor S-II protein 3' $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 'Domain I' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; GSSGSSGMGLEEELLRIAKK LEKMVSRKKTEGALDLLKKL NSCQMSIQLLQTTRIGVAVN GVRKHCSDKEVVSLAKVLIK NWKRLLDSPRTTKGERESGP SSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLY 10 LEU 11 GLU 12 GLU 13 GLU 14 LEU 15 LEU 16 ARG 17 ILE 18 ALA 19 LYS 20 LYS 21 LEU 22 GLU 23 LYS 24 MET 25 VAL 26 SER 27 ARG 28 LYS 29 LYS 30 THR 31 GLU 32 GLY 33 ALA 34 LEU 35 ASP 36 LEU 37 LEU 38 LYS 39 LYS 40 LEU 41 ASN 42 SER 43 CYS 44 GLN 45 MET 46 SER 47 ILE 48 GLN 49 LEU 50 LEU 51 GLN 52 THR 53 THR 54 ARG 55 ILE 56 GLY 57 VAL 58 ALA 59 VAL 60 ASN 61 GLY 62 VAL 63 ARG 64 LYS 65 HIS 66 CYS 67 SER 68 ASP 69 LYS 70 GLU 71 VAL 72 VAL 73 SER 74 LEU 75 ALA 76 LYS 77 VAL 78 LEU 79 ILE 80 LYS 81 ASN 82 TRP 83 LYS 84 ARG 85 LEU 86 LEU 87 ASP 88 SER 89 PRO 90 ARG 91 THR 92 THR 93 LYS 94 GLY 95 GLU 96 ARG 97 GLU 98 SER 99 GLY 100 PRO 101 SER 102 SER 103 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1WJT "Solution Structure Of The N-Terminal Domain I Of Mouse Transcription Elongation Factor S-Ii Protein 3" 100.00 103 100.00 100.00 1.59e-64 DBJ BAB25037 "unnamed protein product [Mus musculus]" 87.38 347 100.00 100.00 7.68e-53 DBJ BAF80886 "tissue-specific transcription factor S-II [Mus musculus]" 87.38 347 98.89 100.00 6.51e-52 EMBL CAA11392 "transcription elongation factor TFIIS.h [Mus musculus]" 87.38 347 100.00 100.00 7.68e-53 GB AAH10807 "Transcription elongation factor A (SII), 3 [Mus musculus]" 87.38 347 100.00 100.00 7.68e-53 GB AAH91180 "Transcription elongation factor A (SII), 3 [Rattus norvegicus]" 88.35 348 97.80 100.00 1.49e-52 GB EDL29944 "transcription elongation factor A (SII), 3 [Mus musculus]" 87.38 347 100.00 100.00 7.68e-53 GB EDL80805 "transcription elongation factor A (SII), 3 [Rattus norvegicus]" 88.35 299 97.80 100.00 4.94e-53 GB EPY82437 "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 3 [Camelus ferus]" 54.37 865 98.21 100.00 6.92e-27 REF NP_001015008 "transcription elongation factor A protein 3 [Rattus norvegicus]" 88.35 348 97.80 100.00 1.49e-52 REF NP_035672 "transcription elongation factor A protein 3 [Mus musculus]" 87.38 347 100.00 100.00 7.68e-53 REF XP_003504976 "PREDICTED: transcription elongation factor A protein 3 [Cricetulus griseus]" 65.05 362 98.51 98.51 1.73e-35 REF XP_007617250 "PREDICTED: transcription elongation factor A protein 3 [Cricetulus griseus]" 65.05 362 98.51 98.51 1.73e-35 SP P23881 "RecName: Full=Transcription elongation factor A protein 3; AltName: Full=Transcription elongation factor S-II protein 3; AltNam" 87.38 347 100.00 100.00 7.68e-53 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 P030916-23 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 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 200 mM . d-DTT 2 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 'Delagio, 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 'Jhonson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.896 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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' 220 0.1 mM pH 7.0 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 15N-separated NOESY' '3D 13C-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 'Transcription elongation factor S-II protein 3' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.529 0.030 1 2 6 6 SER HB2 H 3.937 0.030 1 3 6 6 SER HB3 H 3.937 0.030 1 4 6 6 SER C C 175.159 0.300 1 5 6 6 SER CA C 58.492 0.300 1 6 6 6 SER CB C 63.897 0.300 1 7 7 7 GLY H H 8.496 0.030 1 8 7 7 GLY HA2 H 4.031 0.030 1 9 7 7 GLY HA3 H 4.031 0.030 1 10 7 7 GLY C C 174.357 0.300 1 11 7 7 GLY CA C 45.557 0.300 1 12 7 7 GLY N N 110.788 0.300 1 13 8 8 MET H H 8.296 0.030 1 14 8 8 MET HA H 4.513 0.030 1 15 8 8 MET HB2 H 2.142 0.030 2 16 8 8 MET HB3 H 2.042 0.030 2 17 8 8 MET HG2 H 2.623 0.030 2 18 8 8 MET HG3 H 2.561 0.030 2 19 8 8 MET C C 176.968 0.300 1 20 8 8 MET CA C 55.944 0.300 1 21 8 8 MET CB C 33.183 0.300 1 22 8 8 MET CG C 31.962 0.300 1 23 8 8 MET N N 120.143 0.300 1 24 9 9 GLY H H 8.674 0.030 1 25 9 9 GLY HA2 H 4.094 0.030 2 26 9 9 GLY HA3 H 4.042 0.030 2 27 9 9 GLY C C 174.892 0.300 1 28 9 9 GLY CA C 45.628 0.300 1 29 9 9 GLY N N 110.794 0.300 1 30 10 10 LEU H H 8.194 0.030 1 31 10 10 LEU HA H 4.261 0.030 1 32 10 10 LEU HB2 H 1.710 0.030 2 33 10 10 LEU HB3 H 1.659 0.030 2 34 10 10 LEU HG H 1.582 0.030 1 35 10 10 LEU HD1 H 0.993 0.030 1 36 10 10 LEU HD2 H 0.942 0.030 1 37 10 10 LEU C C 177.989 0.300 1 38 10 10 LEU CA C 57.630 0.300 1 39 10 10 LEU CB C 42.107 0.300 1 40 10 10 LEU CG C 27.316 0.300 1 41 10 10 LEU CD1 C 23.706 0.300 2 42 10 10 LEU CD2 C 25.540 0.300 2 43 10 10 LEU N N 122.904 0.300 1 44 11 11 GLU H H 8.612 0.030 1 45 11 11 GLU HA H 3.611 0.030 1 46 11 11 GLU HB2 H 2.025 0.030 2 47 11 11 GLU HB3 H 1.994 0.030 2 48 11 11 GLU HG2 H 2.122 0.030 2 49 11 11 GLU HG3 H 2.005 0.030 2 50 11 11 GLU C C 177.489 0.300 1 51 11 11 GLU CA C 61.029 0.300 1 52 11 11 GLU CB C 29.599 0.300 1 53 11 11 GLU CG C 36.769 0.300 1 54 11 11 GLU N N 119.152 0.300 1 55 12 12 GLU H H 8.068 0.030 1 56 12 12 GLU HA H 3.995 0.030 1 57 12 12 GLU HB2 H 2.114 0.030 2 58 12 12 GLU HB3 H 2.013 0.030 2 59 12 12 GLU HG2 H 2.356 0.030 1 60 12 12 GLU HG3 H 2.356 0.030 1 61 12 12 GLU C C 179.230 0.300 1 62 12 12 GLU CA C 59.800 0.300 1 63 12 12 GLU CB C 29.288 0.300 1 64 12 12 GLU CG C 36.648 0.300 1 65 12 12 GLU N N 116.802 0.300 1 66 13 13 GLU H H 8.026 0.030 1 67 13 13 GLU HA H 4.196 0.030 1 68 13 13 GLU HB2 H 2.119 0.030 1 69 13 13 GLU HB3 H 2.119 0.030 1 70 13 13 GLU HG2 H 2.261 0.030 1 71 13 13 GLU HG3 H 2.261 0.030 1 72 13 13 GLU C C 178.997 0.300 1 73 13 13 GLU CA C 59.339 0.300 1 74 13 13 GLU CB C 29.479 0.300 1 75 13 13 GLU CG C 35.480 0.300 1 76 13 13 GLU N N 120.789 0.300 1 77 14 14 LEU H H 8.709 0.030 1 78 14 14 LEU HA H 4.007 0.030 1 79 14 14 LEU HB2 H 2.165 0.030 2 80 14 14 LEU HB3 H 1.261 0.030 2 81 14 14 LEU HG H 1.966 0.030 1 82 14 14 LEU HD1 H 0.829 0.030 1 83 14 14 LEU HD2 H 0.820 0.030 1 84 14 14 LEU C C 179.336 0.300 1 85 14 14 LEU CA C 58.220 0.300 1 86 14 14 LEU CB C 42.159 0.300 1 87 14 14 LEU CG C 27.348 0.300 1 88 14 14 LEU CD1 C 27.472 0.300 2 89 14 14 LEU CD2 C 23.980 0.300 2 90 14 14 LEU N N 119.155 0.300 1 91 15 15 LEU H H 8.296 0.030 1 92 15 15 LEU HA H 4.139 0.030 1 93 15 15 LEU HB2 H 1.953 0.030 2 94 15 15 LEU HB3 H 1.604 0.030 2 95 15 15 LEU HG H 1.756 0.030 1 96 15 15 LEU HD1 H 0.947 0.030 1 97 15 15 LEU HD2 H 0.995 0.030 1 98 15 15 LEU C C 179.689 0.300 1 99 15 15 LEU CA C 58.449 0.300 1 100 15 15 LEU CB C 42.143 0.300 1 101 15 15 LEU CG C 27.353 0.300 1 102 15 15 LEU CD1 C 25.439 0.300 2 103 15 15 LEU CD2 C 24.385 0.300 2 104 15 15 LEU N N 119.819 0.300 1 105 16 16 ARG H H 7.850 0.030 1 106 16 16 ARG HA H 4.050 0.030 1 107 16 16 ARG HB2 H 2.098 0.030 2 108 16 16 ARG HB3 H 2.004 0.030 2 109 16 16 ARG HG2 H 1.908 0.030 2 110 16 16 ARG HG3 H 1.583 0.030 2 111 16 16 ARG HD2 H 3.287 0.030 2 112 16 16 ARG HD3 H 3.226 0.030 2 113 16 16 ARG C C 180.068 0.300 1 114 16 16 ARG CA C 59.914 0.300 1 115 16 16 ARG CB C 30.347 0.300 1 116 16 16 ARG CG C 28.208 0.300 1 117 16 16 ARG CD C 43.654 0.300 1 118 16 16 ARG N N 119.153 0.300 1 119 17 17 ILE H H 8.527 0.030 1 120 17 17 ILE HA H 3.587 0.030 1 121 17 17 ILE HB H 1.947 0.030 1 122 17 17 ILE HG12 H 2.114 0.030 2 123 17 17 ILE HG13 H 1.018 0.030 2 124 17 17 ILE HG2 H 0.976 0.030 1 125 17 17 ILE HD1 H 0.895 0.030 1 126 17 17 ILE C C 177.339 0.300 1 127 17 17 ILE CA C 66.518 0.300 1 128 17 17 ILE CB C 38.280 0.300 1 129 17 17 ILE CG1 C 29.558 0.300 1 130 17 17 ILE CG2 C 18.170 0.300 1 131 17 17 ILE CD1 C 13.494 0.300 1 132 17 17 ILE N N 121.156 0.300 1 133 18 18 ALA H H 8.954 0.030 1 134 18 18 ALA HA H 3.768 0.030 1 135 18 18 ALA HB H 1.561 0.030 1 136 18 18 ALA C C 179.298 0.300 1 137 18 18 ALA CA C 56.286 0.300 1 138 18 18 ALA CB C 18.048 0.300 1 139 18 18 ALA N N 122.792 0.300 1 140 19 19 LYS H H 7.841 0.030 1 141 19 19 LYS HA H 4.124 0.030 1 142 19 19 LYS HB2 H 1.988 0.030 2 143 19 19 LYS HB3 H 1.937 0.030 2 144 19 19 LYS HG2 H 1.691 0.030 2 145 19 19 LYS HG3 H 1.566 0.030 2 146 19 19 LYS HD2 H 1.692 0.030 1 147 19 19 LYS HD3 H 1.692 0.030 1 148 19 19 LYS HE2 H 3.009 0.030 1 149 19 19 LYS HE3 H 3.009 0.030 1 150 19 19 LYS C C 179.871 0.300 1 151 19 19 LYS CA C 59.136 0.300 1 152 19 19 LYS CB C 32.173 0.300 1 153 19 19 LYS CG C 25.190 0.300 1 154 19 19 LYS CD C 28.981 0.300 1 155 19 19 LYS CE C 42.143 0.300 1 156 19 19 LYS N N 115.751 0.300 1 157 20 20 LYS H H 7.946 0.030 1 158 20 20 LYS HA H 4.093 0.030 1 159 20 20 LYS HB2 H 2.038 0.030 2 160 20 20 LYS HB3 H 1.856 0.030 2 161 20 20 LYS HG2 H 1.699 0.030 2 162 20 20 LYS HG3 H 1.514 0.030 2 163 20 20 LYS HD2 H 1.704 0.030 1 164 20 20 LYS HD3 H 1.704 0.030 1 165 20 20 LYS HE2 H 2.997 0.030 1 166 20 20 LYS HE3 H 2.997 0.030 1 167 20 20 LYS C C 179.774 0.300 1 168 20 20 LYS CA C 59.930 0.300 1 169 20 20 LYS CB C 32.957 0.300 1 170 20 20 LYS CG C 25.849 0.300 1 171 20 20 LYS CD C 29.723 0.300 1 172 20 20 LYS CE C 42.253 0.300 1 173 20 20 LYS N N 120.483 0.300 1 174 21 21 LEU H H 8.756 0.030 1 175 21 21 LEU HA H 4.145 0.030 1 176 21 21 LEU HB2 H 2.118 0.030 2 177 21 21 LEU HB3 H 1.197 0.030 2 178 21 21 LEU HG H 1.991 0.030 1 179 21 21 LEU HD1 H 0.767 0.030 1 180 21 21 LEU HD2 H 0.932 0.030 1 181 21 21 LEU C C 179.592 0.300 1 182 21 21 LEU CA C 57.798 0.300 1 183 21 21 LEU CB C 42.312 0.300 1 184 21 21 LEU CG C 26.606 0.300 1 185 21 21 LEU CD1 C 27.058 0.300 2 186 21 21 LEU CD2 C 23.046 0.300 2 187 21 21 LEU N N 119.477 0.300 1 188 22 22 GLU H H 8.524 0.030 1 189 22 22 GLU HA H 4.031 0.030 1 190 22 22 GLU HB2 H 2.242 0.030 2 191 22 22 GLU HB3 H 2.097 0.030 2 192 22 22 GLU HG2 H 2.590 0.030 2 193 22 22 GLU HG3 H 2.246 0.030 2 194 22 22 GLU C C 179.846 0.300 1 195 22 22 GLU CA C 60.053 0.300 1 196 22 22 GLU CB C 29.721 0.300 1 197 22 22 GLU CG C 36.671 0.300 1 198 22 22 GLU N N 119.649 0.300 1 199 23 23 LYS H H 7.946 0.030 1 200 23 23 LYS HA H 4.133 0.030 1 201 23 23 LYS HB2 H 1.993 0.030 1 202 23 23 LYS HB3 H 1.993 0.030 1 203 23 23 LYS HG2 H 1.588 0.030 2 204 23 23 LYS HG3 H 1.517 0.030 2 205 23 23 LYS HD2 H 1.677 0.030 1 206 23 23 LYS HD3 H 1.677 0.030 1 207 23 23 LYS HE2 H 2.985 0.030 1 208 23 23 LYS HE3 H 2.985 0.030 1 209 23 23 LYS C C 178.949 0.300 1 210 23 23 LYS CA C 59.083 0.300 1 211 23 23 LYS CB C 32.204 0.300 1 212 23 23 LYS CG C 25.190 0.300 1 213 23 23 LYS CD C 29.146 0.300 1 214 23 23 LYS CE C 42.171 0.300 1 215 23 23 LYS N N 120.886 0.300 1 216 24 24 MET H H 8.197 0.030 1 217 24 24 MET HA H 4.001 0.030 1 218 24 24 MET HB2 H 2.240 0.030 2 219 24 24 MET HB3 H 2.014 0.030 2 220 24 24 MET HG2 H 2.892 0.030 2 221 24 24 MET HG3 H 2.745 0.030 2 222 24 24 MET HE H 1.947 0.030 1 223 24 24 MET C C 178.461 0.300 1 224 24 24 MET CA C 60.083 0.300 1 225 24 24 MET CB C 32.944 0.300 1 226 24 24 MET CG C 33.357 0.300 1 227 24 24 MET CE C 18.253 0.300 1 228 24 24 MET N N 119.130 0.300 1 229 25 25 VAL H H 7.789 0.030 1 230 25 25 VAL HA H 3.458 0.030 1 231 25 25 VAL HB H 2.105 0.030 1 232 25 25 VAL HG1 H 0.757 0.030 1 233 25 25 VAL HG2 H 0.987 0.030 1 234 25 25 VAL C C 179.592 0.300 1 235 25 25 VAL CA C 66.370 0.300 1 236 25 25 VAL CB C 31.748 0.300 1 237 25 25 VAL CG1 C 21.334 0.300 2 238 25 25 VAL CG2 C 23.706 0.300 2 239 25 25 VAL N N 117.561 0.300 1 240 26 26 SER H H 8.191 0.030 1 241 26 26 SER HA H 4.163 0.030 1 242 26 26 SER HB2 H 4.016 0.030 1 243 26 26 SER HB3 H 4.016 0.030 1 244 26 26 SER C C 176.203 0.300 1 245 26 26 SER CA C 61.593 0.300 1 246 26 26 SER CB C 62.992 0.300 1 247 26 26 SER N N 116.723 0.300 1 248 27 27 ARG H H 7.921 0.030 1 249 27 27 ARG HA H 4.326 0.030 1 250 27 27 ARG HB2 H 2.030 0.030 2 251 27 27 ARG HB3 H 1.801 0.030 2 252 27 27 ARG HG2 H 1.851 0.030 2 253 27 27 ARG HG3 H 1.760 0.030 2 254 27 27 ARG HD2 H 3.204 0.030 2 255 27 27 ARG HD3 H 3.211 0.030 2 256 27 27 ARG C C 175.086 0.300 1 257 27 27 ARG CA C 55.944 0.300 1 258 27 27 ARG CB C 30.636 0.300 1 259 27 27 ARG CG C 27.580 0.300 1 260 27 27 ARG CD C 43.572 0.300 1 261 27 27 ARG N N 117.670 0.300 1 262 28 28 LYS H H 7.838 0.030 1 263 28 28 LYS HA H 3.896 0.030 1 264 28 28 LYS HB2 H 2.164 0.030 2 265 28 28 LYS HB3 H 2.013 0.030 2 266 28 28 LYS HG2 H 1.403 0.030 1 267 28 28 LYS HG3 H 1.403 0.030 1 268 28 28 LYS HD2 H 1.799 0.030 2 269 28 28 LYS HD3 H 1.729 0.030 2 270 28 28 LYS HE2 H 3.048 0.030 1 271 28 28 LYS HE3 H 3.048 0.030 1 272 28 28 LYS C C 175.717 0.300 1 273 28 28 LYS CA C 57.392 0.300 1 274 28 28 LYS CB C 29.248 0.300 1 275 28 28 LYS CG C 25.137 0.300 1 276 28 28 LYS CD C 29.333 0.300 1 277 28 28 LYS CE C 42.335 0.300 1 278 28 28 LYS N N 116.941 0.300 1 279 29 29 LYS H H 8.208 0.030 1 280 29 29 LYS HA H 4.896 0.030 1 281 29 29 LYS HB2 H 2.007 0.030 2 282 29 29 LYS HB3 H 1.616 0.030 2 283 29 29 LYS HG2 H 1.531 0.030 2 284 29 29 LYS HG3 H 1.446 0.030 2 285 29 29 LYS HD2 H 1.803 0.030 2 286 29 29 LYS HD3 H 1.739 0.030 2 287 29 29 LYS HE2 H 3.091 0.030 1 288 29 29 LYS HE3 H 3.091 0.030 1 289 29 29 LYS C C 176.883 0.300 1 290 29 29 LYS CA C 55.098 0.300 1 291 29 29 LYS CB C 34.180 0.300 1 292 29 29 LYS CG C 24.362 0.300 1 293 29 29 LYS CD C 29.064 0.300 1 294 29 29 LYS CE C 42.355 0.300 1 295 29 29 LYS N N 119.862 0.300 1 296 30 30 THR H H 8.430 0.030 1 297 30 30 THR HA H 4.417 0.030 1 298 30 30 THR HB H 4.566 0.030 1 299 30 30 THR HG2 H 1.122 0.030 1 300 30 30 THR C C 175.110 0.300 1 301 30 30 THR CA C 61.800 0.300 1 302 30 30 THR CB C 68.740 0.300 1 303 30 30 THR CG2 C 22.140 0.300 1 304 30 30 THR N N 111.280 0.300 1 305 31 31 GLU H H 8.680 0.030 1 306 31 31 GLU HA H 4.141 0.030 1 307 31 31 GLU HB2 H 2.116 0.030 2 308 31 31 GLU HB3 H 2.036 0.030 2 309 31 31 GLU HG2 H 2.441 0.030 2 310 31 31 GLU HG3 H 2.359 0.030 2 311 31 31 GLU C C 177.369 0.300 1 312 31 31 GLU CA C 59.700 0.300 1 313 31 31 GLU CB C 28.651 0.300 1 314 31 31 GLU CG C 36.601 0.300 1 315 31 31 GLU N N 124.927 0.300 1 316 32 32 GLY H H 8.724 0.030 1 317 32 32 GLY HA2 H 4.172 0.030 2 318 32 32 GLY HA3 H 4.103 0.030 2 319 32 32 GLY C C 175.900 0.300 1 320 32 32 GLY CA C 45.345 0.300 1 321 32 32 GLY N N 111.529 0.300 1 322 33 33 ALA H H 8.306 0.030 1 323 33 33 ALA HA H 3.905 0.030 1 324 33 33 ALA HB H 1.514 0.030 1 325 33 33 ALA C C 178.948 0.300 1 326 33 33 ALA CA C 55.484 0.300 1 327 33 33 ALA CB C 18.899 0.300 1 328 33 33 ALA N N 123.353 0.300 1 329 34 34 LEU H H 8.708 0.030 1 330 34 34 LEU HA H 3.888 0.030 1 331 34 34 LEU HB2 H 1.861 0.030 2 332 34 34 LEU HB3 H 1.559 0.030 2 333 34 34 LEU HG H 1.515 0.030 1 334 34 34 LEU HD1 H 0.878 0.030 1 335 34 34 LEU HD2 H 0.908 0.030 1 336 34 34 LEU C C 178.256 0.300 1 337 34 34 LEU CA C 59.136 0.300 1 338 34 34 LEU CB C 40.984 0.300 1 339 34 34 LEU CG C 26.923 0.300 1 340 34 34 LEU CD1 C 23.742 0.300 2 341 34 34 LEU CD2 C 25.519 0.300 2 342 34 34 LEU N N 118.453 0.300 1 343 35 35 ASP H H 8.059 0.030 1 344 35 35 ASP HA H 4.315 0.030 1 345 35 35 ASP HB2 H 2.610 0.030 1 346 35 35 ASP HB3 H 2.610 0.030 1 347 35 35 ASP C C 179.555 0.300 1 348 35 35 ASP CA C 57.741 0.300 1 349 35 35 ASP CB C 40.727 0.300 1 350 35 35 ASP N N 116.079 0.300 1 351 36 36 LEU H H 7.307 0.030 1 352 36 36 LEU HA H 4.171 0.030 1 353 36 36 LEU HB2 H 2.106 0.030 2 354 36 36 LEU HB3 H 1.363 0.030 2 355 36 36 LEU HG H 1.927 0.030 1 356 36 36 LEU HD1 H 0.948 0.030 1 357 36 36 LEU HD2 H 0.932 0.030 1 358 36 36 LEU C C 178.875 0.300 1 359 36 36 LEU CA C 57.726 0.300 1 360 36 36 LEU CB C 41.530 0.300 1 361 36 36 LEU CG C 26.647 0.300 1 362 36 36 LEU CD1 C 26.475 0.300 2 363 36 36 LEU CD2 C 22.799 0.300 2 364 36 36 LEU N N 118.492 0.300 1 365 37 37 LEU H H 8.358 0.030 1 366 37 37 LEU HA H 4.026 0.030 1 367 37 37 LEU HB2 H 2.110 0.030 2 368 37 37 LEU HB3 H 1.369 0.030 2 369 37 37 LEU HG H 2.014 0.030 1 370 37 37 LEU HD1 H 0.962 0.030 1 371 37 37 LEU HD2 H 0.812 0.030 1 372 37 37 LEU C C 179.470 0.300 1 373 37 37 LEU CA C 58.317 0.300 1 374 37 37 LEU CB C 40.664 0.300 1 375 37 37 LEU CG C 27.194 0.300 1 376 37 37 LEU CD1 C 28.379 0.300 2 377 37 37 LEU CD2 C 23.976 0.300 2 378 37 37 LEU N N 118.834 0.300 1 379 38 38 LYS H H 8.627 0.030 1 380 38 38 LYS HA H 3.950 0.030 1 381 38 38 LYS HB2 H 1.918 0.030 2 382 38 38 LYS HB3 H 1.883 0.030 2 383 38 38 LYS HG2 H 1.647 0.030 2 384 38 38 LYS HG3 H 1.364 0.030 2 385 38 38 LYS HD2 H 1.651 0.030 1 386 38 38 LYS HD3 H 1.651 0.030 1 387 38 38 LYS HE2 H 2.921 0.030 2 388 38 38 LYS HE3 H 2.772 0.030 2 389 38 38 LYS C C 180.235 0.300 1 390 38 38 LYS CA C 60.530 0.300 1 391 38 38 LYS CB C 32.443 0.300 1 392 38 38 LYS CG C 26.670 0.300 1 393 38 38 LYS CD C 29.888 0.300 1 394 38 38 LYS CE C 42.088 0.300 1 395 38 38 LYS N N 119.412 0.300 1 396 39 39 LYS H H 7.566 0.030 1 397 39 39 LYS HA H 4.142 0.030 1 398 39 39 LYS HB2 H 2.068 0.030 1 399 39 39 LYS HB3 H 2.068 0.030 1 400 39 39 LYS HG2 H 1.512 0.030 2 401 39 39 LYS HG3 H 1.467 0.030 2 402 39 39 LYS HD2 H 1.674 0.030 1 403 39 39 LYS HD3 H 1.674 0.030 1 404 39 39 LYS HE2 H 2.923 0.030 1 405 39 39 LYS HE3 H 2.923 0.030 1 406 39 39 LYS C C 180.405 0.300 1 407 39 39 LYS CA C 59.375 0.300 1 408 39 39 LYS CB C 31.731 0.300 1 409 39 39 LYS CG C 25.171 0.300 1 410 39 39 LYS CD C 29.064 0.300 1 411 39 39 LYS CE C 42.069 0.300 1 412 39 39 LYS N N 120.774 0.300 1 413 40 40 LEU H H 8.100 0.030 1 414 40 40 LEU HA H 4.295 0.030 1 415 40 40 LEU HB2 H 2.448 0.030 2 416 40 40 LEU HB3 H 1.637 0.030 2 417 40 40 LEU HG H 2.198 0.030 1 418 40 40 LEU HD1 H 1.035 0.030 1 419 40 40 LEU HD2 H 0.983 0.030 1 420 40 40 LEU C C 179.009 0.300 1 421 40 40 LEU CA C 57.441 0.300 1 422 40 40 LEU CB C 42.565 0.300 1 423 40 40 LEU CG C 26.410 0.300 1 424 40 40 LEU CD1 C 26.442 0.300 2 425 40 40 LEU CD2 C 23.788 0.300 2 426 40 40 LEU N N 119.264 0.300 1 427 41 41 ASN H H 8.147 0.030 1 428 41 41 ASN HA H 4.565 0.030 1 429 41 41 ASN HB2 H 3.021 0.030 2 430 41 41 ASN HB3 H 2.677 0.030 2 431 41 41 ASN HD21 H 7.708 0.030 2 432 41 41 ASN HD22 H 6.593 0.030 2 433 41 41 ASN C C 175.341 0.300 1 434 41 41 ASN CA C 54.939 0.300 1 435 41 41 ASN CB C 39.128 0.300 1 436 41 41 ASN N N 117.573 0.300 1 437 41 41 ASN ND2 N 111.643 0.300 1 438 42 42 SER H H 7.593 0.030 1 439 42 42 SER HA H 4.627 0.030 1 440 42 42 SER HB2 H 4.074 0.030 2 441 42 42 SER HB3 H 4.038 0.030 2 442 42 42 SER C C 174.041 0.300 1 443 42 42 SER CA C 58.519 0.300 1 444 42 42 SER CB C 64.363 0.300 1 445 42 42 SER N N 111.271 0.300 1 446 43 43 CYS H H 7.361 0.030 1 447 43 43 CYS HA H 4.616 0.030 1 448 43 43 CYS HB2 H 3.081 0.030 2 449 43 43 CYS HB3 H 2.844 0.030 2 450 43 43 CYS C C 174.122 0.300 1 451 43 43 CYS CA C 58.643 0.300 1 452 43 43 CYS CB C 28.765 0.300 1 453 43 43 CYS N N 119.759 0.300 1 454 44 44 GLN H H 8.734 0.030 1 455 44 44 GLN HA H 4.454 0.030 1 456 44 44 GLN HB2 H 2.078 0.030 2 457 44 44 GLN HB3 H 2.006 0.030 2 458 44 44 GLN HG2 H 2.378 0.030 1 459 44 44 GLN HG3 H 2.378 0.030 1 460 44 44 GLN HE21 H 7.605 0.030 2 461 44 44 GLN HE22 H 6.915 0.030 2 462 44 44 GLN C C 174.005 0.300 1 463 44 44 GLN CA C 55.257 0.300 1 464 44 44 GLN CB C 27.804 0.300 1 465 44 44 GLN CG C 33.935 0.300 1 466 44 44 GLN N N 125.503 0.300 1 467 44 44 GLN NE2 N 113.001 0.300 1 468 45 45 MET H H 8.300 0.030 1 469 45 45 MET HA H 4.623 0.030 1 470 45 45 MET HB2 H 1.868 0.030 2 471 45 45 MET HB3 H 1.739 0.030 2 472 45 45 MET HG2 H 1.863 0.030 2 473 45 45 MET HG3 H 1.582 0.030 2 474 45 45 MET HE H 1.454 0.030 1 475 45 45 MET C C 174.163 0.300 1 476 45 45 MET CA C 53.035 0.300 1 477 45 45 MET CB C 31.721 0.300 1 478 45 45 MET CG C 30.971 0.300 1 479 45 45 MET CE C 15.769 0.300 1 480 45 45 MET N N 124.584 0.300 1 481 46 46 SER H H 6.754 0.030 1 482 46 46 SER HA H 4.896 0.030 1 483 46 46 SER HB2 H 4.328 0.030 2 484 46 46 SER HB3 H 3.895 0.030 2 485 46 46 SER C C 174.297 0.300 1 486 46 46 SER CA C 55.257 0.300 1 487 46 46 SER CB C 67.499 0.300 1 488 46 46 SER N N 115.013 0.300 1 489 47 47 ILE H H 9.145 0.030 1 490 47 47 ILE HA H 3.674 0.030 1 491 47 47 ILE HB H 1.823 0.030 1 492 47 47 ILE HG12 H 1.133 0.030 2 493 47 47 ILE HG13 H 1.589 0.030 2 494 47 47 ILE HG2 H 0.930 0.030 1 495 47 47 ILE HD1 H 0.973 0.030 1 496 47 47 ILE C C 177.175 0.300 1 497 47 47 ILE CA C 65.203 0.300 1 498 47 47 ILE CB C 37.924 0.300 1 499 47 47 ILE CG1 C 29.476 0.300 1 500 47 47 ILE CG2 C 17.274 0.300 1 501 47 47 ILE CD1 C 13.625 0.300 1 502 47 47 ILE N N 122.133 0.300 1 503 48 48 GLN H H 8.360 0.030 1 504 48 48 GLN HA H 4.110 0.030 1 505 48 48 GLN HB2 H 2.115 0.030 2 506 48 48 GLN HB3 H 1.967 0.030 2 507 48 48 GLN HG2 H 2.473 0.030 2 508 48 48 GLN HG3 H 2.418 0.030 2 509 48 48 GLN HE21 H 7.545 0.030 2 510 48 48 GLN HE22 H 6.879 0.030 2 511 48 48 GLN C C 178.839 0.300 1 512 48 48 GLN CA C 59.789 0.300 1 513 48 48 GLN CB C 27.928 0.300 1 514 48 48 GLN CG C 34.010 0.300 1 515 48 48 GLN N N 119.349 0.300 1 516 48 48 GLN NE2 N 112.255 0.300 1 517 49 49 LEU H H 7.707 0.030 1 518 49 49 LEU HA H 4.129 0.030 1 519 49 49 LEU HB2 H 1.792 0.030 2 520 49 49 LEU HB3 H 1.202 0.030 2 521 49 49 LEU HG H 1.586 0.030 1 522 49 49 LEU HD1 H 0.944 0.030 1 523 49 49 LEU HD2 H 0.834 0.030 1 524 49 49 LEU C C 180.612 0.300 1 525 49 49 LEU CA C 57.638 0.300 1 526 49 49 LEU CB C 43.018 0.300 1 527 49 49 LEU CG C 27.288 0.300 1 528 49 49 LEU CD1 C 25.849 0.300 2 529 49 49 LEU CD2 C 23.029 0.300 2 530 49 49 LEU N N 119.285 0.300 1 531 50 50 LEU H H 8.052 0.030 1 532 50 50 LEU HA H 3.695 0.030 1 533 50 50 LEU HB2 H 1.832 0.030 2 534 50 50 LEU HB3 H 1.468 0.030 2 535 50 50 LEU HG H 1.401 0.030 1 536 50 50 LEU HD1 H 0.625 0.030 1 537 50 50 LEU HD2 H 0.293 0.030 1 538 50 50 LEU C C 179.934 0.300 1 539 50 50 LEU CA C 58.711 0.300 1 540 50 50 LEU CB C 41.992 0.300 1 541 50 50 LEU CG C 26.647 0.300 1 542 50 50 LEU CD1 C 25.859 0.300 2 543 50 50 LEU CD2 C 23.349 0.300 2 544 50 50 LEU N N 122.885 0.300 1 545 51 51 GLN H H 8.046 0.030 1 546 51 51 GLN HA H 4.158 0.030 1 547 51 51 GLN HB2 H 2.281 0.030 2 548 51 51 GLN HB3 H 2.124 0.030 2 549 51 51 GLN HG2 H 2.576 0.030 2 550 51 51 GLN HG3 H 2.378 0.030 2 551 51 51 GLN HE21 H 7.281 0.030 2 552 51 51 GLN HE22 H 6.799 0.030 2 553 51 51 GLN C C 178.925 0.300 1 554 51 51 GLN CA C 58.653 0.300 1 555 51 51 GLN CB C 28.904 0.300 1 556 51 51 GLN CG C 34.026 0.300 1 557 51 51 GLN N N 117.134 0.300 1 558 51 51 GLN NE2 N 110.791 0.300 1 559 52 52 THR H H 8.508 0.030 1 560 52 52 THR HA H 4.189 0.030 1 561 52 52 THR HB H 4.215 0.030 1 562 52 52 THR HG2 H 1.305 0.030 1 563 52 52 THR C C 176.932 0.300 1 564 52 52 THR CA C 65.114 0.300 1 565 52 52 THR CB C 69.398 0.300 1 566 52 52 THR CG2 C 21.893 0.300 1 567 52 52 THR N N 111.063 0.300 1 568 53 53 THR H H 7.721 0.030 1 569 53 53 THR HA H 4.337 0.030 1 570 53 53 THR HB H 4.003 0.030 1 571 53 53 THR HG2 H 1.419 0.030 1 572 53 53 THR C C 174.612 0.300 1 573 53 53 THR CA C 62.998 0.300 1 574 53 53 THR CB C 71.416 0.300 1 575 53 53 THR CG2 C 22.122 0.300 1 576 53 53 THR N N 109.127 0.300 1 577 54 54 ARG H H 7.381 0.030 1 578 54 54 ARG HA H 4.193 0.030 1 579 54 54 ARG HB2 H 2.092 0.030 2 580 54 54 ARG HB3 H 1.577 0.030 2 581 54 54 ARG HD2 H 3.266 0.030 1 582 54 54 ARG HD3 H 3.266 0.030 1 583 54 54 ARG C C 178.256 0.300 1 584 54 54 ARG CA C 57.752 0.300 1 585 54 54 ARG CB C 27.663 0.300 1 586 54 54 ARG CD C 43.609 0.300 1 587 54 54 ARG N N 111.642 0.300 1 588 55 55 ILE H H 7.637 0.030 1 589 55 55 ILE HA H 4.166 0.030 1 590 55 55 ILE HB H 1.802 0.030 1 591 55 55 ILE HG12 H 1.597 0.030 2 592 55 55 ILE HG13 H 1.361 0.030 2 593 55 55 ILE HG2 H 0.536 0.030 1 594 55 55 ILE HD1 H 1.106 0.030 1 595 55 55 ILE C C 176.009 0.300 1 596 55 55 ILE CA C 60.845 0.300 1 597 55 55 ILE CB C 38.548 0.300 1 598 55 55 ILE CG1 C 29.558 0.300 1 599 55 55 ILE CG2 C 19.920 0.300 1 600 55 55 ILE CD1 C 14.514 0.300 1 601 55 55 ILE N N 118.560 0.300 1 602 56 56 GLY H H 8.874 0.030 1 603 56 56 GLY HA2 H 4.019 0.030 1 604 56 56 GLY HA3 H 4.019 0.030 1 605 56 56 GLY C C 176.494 0.300 1 606 56 56 GLY CA C 47.203 0.300 1 607 56 56 GLY N N 111.186 0.300 1 608 57 57 VAL H H 7.331 0.030 1 609 57 57 VAL HA H 3.854 0.030 1 610 57 57 VAL HB H 2.285 0.030 1 611 57 57 VAL HG1 H 1.068 0.030 1 612 57 57 VAL HG2 H 1.088 0.030 1 613 57 57 VAL C C 179.458 0.300 1 614 57 57 VAL CA C 65.803 0.300 1 615 57 57 VAL CB C 31.944 0.300 1 616 57 57 VAL CG1 C 21.354 0.300 2 617 57 57 VAL CG2 C 21.855 0.300 2 618 57 57 VAL N N 122.889 0.300 1 619 58 58 ALA H H 7.629 0.030 1 620 58 58 ALA HA H 4.324 0.030 1 621 58 58 ALA HB H 1.755 0.030 1 622 58 58 ALA C C 180.770 0.300 1 623 58 58 ALA CA C 55.049 0.300 1 624 58 58 ALA CB C 19.061 0.300 1 625 58 58 ALA N N 123.466 0.300 1 626 59 59 VAL H H 8.540 0.030 1 627 59 59 VAL HA H 3.564 0.030 1 628 59 59 VAL HB H 2.302 0.030 1 629 59 59 VAL HG1 H 0.940 0.030 1 630 59 59 VAL HG2 H 1.195 0.030 1 631 59 59 VAL C C 177.733 0.300 1 632 59 59 VAL CA C 67.478 0.300 1 633 59 59 VAL CB C 31.962 0.300 1 634 59 59 VAL CG1 C 22.929 0.300 2 635 59 59 VAL CG2 C 24.942 0.300 2 636 59 59 VAL N N 118.694 0.300 1 637 60 60 ASN H H 8.453 0.030 1 638 60 60 ASN HA H 4.448 0.030 1 639 60 60 ASN HB2 H 2.968 0.030 2 640 60 60 ASN HB3 H 2.881 0.030 2 641 60 60 ASN HD21 H 7.737 0.030 2 642 60 60 ASN HD22 H 7.055 0.030 2 643 60 60 ASN C C 177.600 0.300 1 644 60 60 ASN CA C 56.738 0.300 1 645 60 60 ASN CB C 38.670 0.300 1 646 60 60 ASN N N 119.971 0.300 1 647 60 60 ASN ND2 N 114.743 0.300 1 648 61 61 GLY H H 8.108 0.030 1 649 61 61 GLY HA2 H 4.085 0.030 2 650 61 61 GLY HA3 H 3.954 0.030 2 651 61 61 GLY C C 175.790 0.300 1 652 61 61 GLY CA C 47.638 0.300 1 653 61 61 GLY N N 106.790 0.300 1 654 62 62 VAL H H 7.604 0.030 1 655 62 62 VAL HA H 3.656 0.030 1 656 62 62 VAL HB H 2.345 0.030 1 657 62 62 VAL HG1 H 0.895 0.030 1 658 62 62 VAL HG2 H 1.093 0.030 1 659 62 62 VAL C C 176.604 0.300 1 660 62 62 VAL CA C 66.173 0.300 1 661 62 62 VAL CB C 31.449 0.300 1 662 62 62 VAL CG1 C 22.513 0.300 2 663 62 62 VAL CG2 C 23.993 0.300 2 664 62 62 VAL N N 121.316 0.300 1 665 63 63 ARG H H 7.962 0.030 1 666 63 63 ARG HA H 3.754 0.030 1 667 63 63 ARG HB2 H 2.234 0.030 2 668 63 63 ARG HB3 H 1.725 0.030 2 669 63 63 ARG HG2 H 1.651 0.030 2 670 63 63 ARG HG3 H 1.611 0.030 2 671 63 63 ARG HD2 H 3.304 0.030 2 672 63 63 ARG HD3 H 2.855 0.030 2 673 63 63 ARG C C 177.235 0.300 1 674 63 63 ARG CA C 59.489 0.300 1 675 63 63 ARG CB C 29.742 0.300 1 676 63 63 ARG CG C 27.113 0.300 1 677 63 63 ARG CD C 43.407 0.300 1 678 63 63 ARG N N 118.118 0.300 1 679 64 64 LYS H H 7.719 0.030 1 680 64 64 LYS HA H 3.952 0.030 1 681 64 64 LYS HB2 H 1.588 0.030 2 682 64 64 LYS HB3 H 1.413 0.030 2 683 64 64 LYS HG2 H 1.346 0.030 2 684 64 64 LYS HG3 H 1.067 0.030 2 685 64 64 LYS HD2 H 1.573 0.030 1 686 64 64 LYS HD3 H 1.573 0.030 1 687 64 64 LYS HE2 H 2.876 0.030 1 688 64 64 LYS HE3 H 2.876 0.030 1 689 64 64 LYS C C 177.648 0.300 1 690 64 64 LYS CA C 58.342 0.300 1 691 64 64 LYS CB C 33.333 0.300 1 692 64 64 LYS CG C 25.037 0.300 1 693 64 64 LYS CD C 29.229 0.300 1 694 64 64 LYS CE C 41.892 0.300 1 695 64 64 LYS N N 114.911 0.300 1 696 65 65 HIS H H 7.605 0.030 1 697 65 65 HIS HA H 4.813 0.030 1 698 65 65 HIS HB2 H 3.285 0.030 2 699 65 65 HIS HB3 H 2.938 0.030 2 700 65 65 HIS HD2 H 7.151 0.030 1 701 65 65 HIS HE1 H 7.818 0.030 1 702 65 65 HIS C C 175.331 0.300 1 703 65 65 HIS CA C 56.967 0.300 1 704 65 65 HIS CB C 32.218 0.300 1 705 65 65 HIS CD2 C 122.605 0.300 1 706 65 65 HIS CE1 C 138.431 0.300 1 707 65 65 HIS N N 114.198 0.300 1 708 66 66 CYS H H 7.995 0.030 1 709 66 66 CYS HA H 4.531 0.030 1 710 66 66 CYS HB2 H 3.029 0.030 2 711 66 66 CYS HB3 H 2.813 0.030 2 712 66 66 CYS C C 173.726 0.300 1 713 66 66 CYS CA C 59.948 0.300 1 714 66 66 CYS CB C 29.101 0.300 1 715 66 66 CYS N N 119.463 0.300 1 716 67 67 SER HA H 4.529 0.030 1 717 67 67 SER HB2 H 4.031 0.030 2 718 67 67 SER HB3 H 3.913 0.030 2 719 67 67 SER C C 174.236 0.300 1 720 67 67 SER CA C 58.713 0.300 1 721 67 67 SER CB C 64.262 0.300 1 722 68 68 ASP H H 7.940 0.030 1 723 68 68 ASP HA H 4.682 0.030 1 724 68 68 ASP HB2 H 2.819 0.030 2 725 68 68 ASP HB3 H 2.629 0.030 2 726 68 68 ASP C C 176.386 0.300 1 727 68 68 ASP CA C 54.463 0.300 1 728 68 68 ASP CB C 42.422 0.300 1 729 68 68 ASP N N 124.881 0.300 1 730 69 69 LYS H H 8.909 0.030 1 731 69 69 LYS HA H 3.923 0.030 1 732 69 69 LYS HB2 H 1.900 0.030 1 733 69 69 LYS HB3 H 1.900 0.030 1 734 69 69 LYS HG2 H 1.591 0.030 2 735 69 69 LYS HG3 H 1.499 0.030 2 736 69 69 LYS HD2 H 1.723 0.030 2 737 69 69 LYS HD3 H 1.575 0.030 2 738 69 69 LYS HE2 H 3.068 0.030 1 739 69 69 LYS HE3 H 3.068 0.030 1 740 69 69 LYS C C 178.985 0.300 1 741 69 69 LYS CA C 59.861 0.300 1 742 69 69 LYS CB C 32.505 0.300 1 743 69 69 LYS CG C 25.025 0.300 1 744 69 69 LYS CD C 29.229 0.300 1 745 69 69 LYS CE C 42.088 0.300 1 746 69 69 LYS N N 127.267 0.300 1 747 70 70 GLU H H 8.515 0.030 1 748 70 70 GLU HA H 4.116 0.030 1 749 70 70 GLU HB2 H 2.160 0.030 2 750 70 70 GLU HB3 H 2.097 0.030 2 751 70 70 GLU HG2 H 2.383 0.030 2 752 70 70 GLU HG3 H 2.255 0.030 2 753 70 70 GLU C C 179.426 0.300 1 754 70 70 GLU CA C 59.542 0.300 1 755 70 70 GLU CB C 29.518 0.300 1 756 70 70 GLU CG C 36.812 0.300 1 757 70 70 GLU N N 120.613 0.300 1 758 71 71 VAL H H 7.680 0.030 1 759 71 71 VAL HA H 3.454 0.030 1 760 71 71 VAL HB H 2.293 0.030 1 761 71 71 VAL HG1 H 0.834 0.030 1 762 71 71 VAL HG2 H 1.061 0.030 1 763 71 71 VAL C C 177.272 0.300 1 764 71 71 VAL CA C 66.271 0.300 1 765 71 71 VAL CB C 32.009 0.300 1 766 71 71 VAL CG1 C 22.525 0.300 2 767 71 71 VAL CG2 C 23.871 0.300 2 768 71 71 VAL N N 121.113 0.300 1 769 72 72 VAL H H 8.138 0.030 1 770 72 72 VAL HA H 3.285 0.030 1 771 72 72 VAL HB H 1.963 0.030 1 772 72 72 VAL HG1 H 0.985 0.030 1 773 72 72 VAL HG2 H 1.035 0.030 1 774 72 72 VAL C C 177.831 0.300 1 775 72 72 VAL CA C 67.724 0.300 1 776 72 72 VAL CB C 32.041 0.300 1 777 72 72 VAL CG1 C 21.727 0.300 2 778 72 72 VAL CG2 C 23.730 0.300 2 779 72 72 VAL N N 118.603 0.300 1 780 73 73 SER H H 8.104 0.030 1 781 73 73 SER HA H 4.076 0.030 1 782 73 73 SER HB2 H 3.991 0.030 2 783 73 73 SER HB3 H 3.913 0.030 2 784 73 73 SER C C 176.762 0.300 1 785 73 73 SER CA C 62.266 0.300 1 786 73 73 SER CB C 62.790 0.300 1 787 73 73 SER N N 113.125 0.300 1 788 74 74 LEU H H 7.478 0.030 1 789 74 74 LEU HA H 4.247 0.030 1 790 74 74 LEU HB2 H 1.670 0.030 2 791 74 74 LEU HB3 H 1.601 0.030 2 792 74 74 LEU HG H 1.482 0.030 1 793 74 74 LEU HD1 H 0.814 0.030 1 794 74 74 LEU HD2 H 0.875 0.030 1 795 74 74 LEU C C 178.219 0.300 1 796 74 74 LEU CA C 57.236 0.300 1 797 74 74 LEU CB C 41.159 0.300 1 798 74 74 LEU CG C 27.735 0.300 1 799 74 74 LEU CD1 C 26.763 0.300 2 800 74 74 LEU CD2 C 22.831 0.300 2 801 74 74 LEU N N 122.121 0.300 1 802 75 75 ALA H H 8.510 0.030 1 803 75 75 ALA HA H 3.730 0.030 1 804 75 75 ALA HB H 1.371 0.030 1 805 75 75 ALA C C 178.718 0.300 1 806 75 75 ALA CA C 55.666 0.300 1 807 75 75 ALA CB C 17.501 0.300 1 808 75 75 ALA N N 121.293 0.300 1 809 76 76 LYS H H 8.125 0.030 1 810 76 76 LYS HA H 3.723 0.030 1 811 76 76 LYS HB2 H 1.949 0.030 2 812 76 76 LYS HB3 H 1.848 0.030 2 813 76 76 LYS HG2 H 1.707 0.030 2 814 76 76 LYS HG3 H 1.328 0.030 2 815 76 76 LYS HD2 H 1.716 0.030 2 816 76 76 LYS HD3 H 1.675 0.030 2 817 76 76 LYS HE2 H 2.947 0.030 2 818 76 76 LYS HE3 H 2.872 0.030 2 819 76 76 LYS C C 179.295 0.300 1 820 76 76 LYS CA C 60.582 0.300 1 821 76 76 LYS CB C 32.586 0.300 1 822 76 76 LYS CG C 26.299 0.300 1 823 76 76 LYS CD C 30.053 0.300 1 824 76 76 LYS CE C 41.935 0.300 1 825 76 76 LYS N N 114.410 0.300 1 826 77 77 VAL H H 7.445 0.030 1 827 77 77 VAL HA H 3.477 0.030 1 828 77 77 VAL HB H 2.281 0.030 1 829 77 77 VAL HG1 H 0.863 0.030 1 830 77 77 VAL HG2 H 1.065 0.030 1 831 77 77 VAL C C 177.539 0.300 1 832 77 77 VAL CA C 66.649 0.300 1 833 77 77 VAL CB C 31.962 0.300 1 834 77 77 VAL CG1 C 20.851 0.300 2 835 77 77 VAL CG2 C 22.997 0.300 2 836 77 77 VAL N N 121.538 0.300 1 837 78 78 LEU H H 7.742 0.030 1 838 78 78 LEU HA H 3.223 0.030 1 839 78 78 LEU HB2 H 1.350 0.030 2 840 78 78 LEU HB3 H -0.345 0.030 2 841 78 78 LEU HG H 1.499 0.030 1 842 78 78 LEU HD1 H 0.775 0.030 1 843 78 78 LEU HD2 H 0.594 0.030 1 844 78 78 LEU C C 177.309 0.300 1 845 78 78 LEU CA C 57.697 0.300 1 846 78 78 LEU CB C 40.499 0.300 1 847 78 78 LEU CG C 26.365 0.300 1 848 78 78 LEU CD1 C 27.512 0.300 2 849 78 78 LEU CD2 C 22.186 0.300 2 850 78 78 LEU N N 119.824 0.300 1 851 79 79 ILE H H 7.723 0.030 1 852 79 79 ILE HA H 3.472 0.030 1 853 79 79 ILE HB H 1.748 0.030 1 854 79 79 ILE HG12 H 1.547 0.030 2 855 79 79 ILE HG13 H 1.326 0.030 2 856 79 79 ILE HG2 H 0.936 0.030 1 857 79 79 ILE HD1 H 0.807 0.030 1 858 79 79 ILE C C 178.754 0.300 1 859 79 79 ILE CA C 64.356 0.300 1 860 79 79 ILE CB C 37.655 0.300 1 861 79 79 ILE CG1 C 28.817 0.300 1 862 79 79 ILE CG2 C 17.223 0.300 1 863 79 79 ILE CD1 C 12.844 0.300 1 864 79 79 ILE N N 115.461 0.300 1 865 80 80 LYS H H 7.781 0.030 1 866 80 80 LYS HA H 3.994 0.030 1 867 80 80 LYS HB2 H 1.914 0.030 2 868 80 80 LYS HB3 H 1.884 0.030 2 869 80 80 LYS HG2 H 1.395 0.030 1 870 80 80 LYS HG3 H 1.395 0.030 1 871 80 80 LYS HD2 H 1.680 0.030 1 872 80 80 LYS HD3 H 1.680 0.030 1 873 80 80 LYS HE2 H 2.981 0.030 1 874 80 80 LYS HE3 H 2.981 0.030 1 875 80 80 LYS C C 179.337 0.300 1 876 80 80 LYS CA C 59.771 0.300 1 877 80 80 LYS CB C 32.215 0.300 1 878 80 80 LYS CG C 24.964 0.300 1 879 80 80 LYS CD C 29.476 0.300 1 880 80 80 LYS CE C 42.088 0.300 1 881 80 80 LYS N N 120.093 0.300 1 882 81 81 ASN H H 8.370 0.030 1 883 81 81 ASN HA H 4.445 0.030 1 884 81 81 ASN HB2 H 2.826 0.030 1 885 81 81 ASN HB3 H 2.826 0.030 1 886 81 81 ASN HD21 H 7.502 0.030 2 887 81 81 ASN HD22 H 6.804 0.030 2 888 81 81 ASN C C 179.263 0.300 1 889 81 81 ASN CA C 55.680 0.300 1 890 81 81 ASN CB C 37.120 0.300 1 891 81 81 ASN N N 120.031 0.300 1 892 81 81 ASN ND2 N 111.093 0.300 1 893 82 82 TRP H H 8.969 0.030 1 894 82 82 TRP HA H 4.766 0.030 1 895 82 82 TRP HB2 H 3.383 0.030 2 896 82 82 TRP HB3 H 3.203 0.030 2 897 82 82 TRP HD1 H 6.960 0.030 1 898 82 82 TRP HE1 H 10.415 0.030 1 899 82 82 TRP HE3 H 7.383 0.030 1 900 82 82 TRP HZ2 H 7.200 0.030 1 901 82 82 TRP HZ3 H 6.700 0.030 1 902 82 82 TRP HH2 H 6.959 0.030 1 903 82 82 TRP C C 178.669 0.300 1 904 82 82 TRP CA C 57.355 0.300 1 905 82 82 TRP CB C 28.340 0.300 1 906 82 82 TRP CD1 C 123.263 0.300 1 907 82 82 TRP CE3 C 120.796 0.300 1 908 82 82 TRP CZ2 C 113.959 0.300 1 909 82 82 TRP CZ3 C 119.920 0.300 1 910 82 82 TRP CH2 C 123.285 0.300 1 911 82 82 TRP N N 123.178 0.300 1 912 82 82 TRP NE1 N 127.304 0.300 1 913 83 83 LYS H H 8.482 0.030 1 914 83 83 LYS HA H 4.114 0.030 1 915 83 83 LYS HB2 H 2.050 0.030 2 916 83 83 LYS HB3 H 2.004 0.030 2 917 83 83 LYS HG2 H 1.649 0.030 2 918 83 83 LYS HG3 H 1.545 0.030 2 919 83 83 LYS HD2 H 1.704 0.030 1 920 83 83 LYS HD3 H 1.704 0.030 1 921 83 83 LYS HE2 H 3.033 0.030 1 922 83 83 LYS HE3 H 3.033 0.030 1 923 83 83 LYS C C 178.778 0.300 1 924 83 83 LYS CA C 59.683 0.300 1 925 83 83 LYS CB C 32.297 0.300 1 926 83 83 LYS CG C 25.533 0.300 1 927 83 83 LYS CD C 29.311 0.300 1 928 83 83 LYS CE C 42.253 0.300 1 929 83 83 LYS N N 121.971 0.300 1 930 84 84 ARG H H 7.585 0.030 1 931 84 84 ARG HA H 4.221 0.030 1 932 84 84 ARG HB2 H 2.030 0.030 1 933 84 84 ARG HB3 H 2.030 0.030 1 934 84 84 ARG HG2 H 1.907 0.030 2 935 84 84 ARG HG3 H 1.755 0.030 2 936 84 84 ARG HD2 H 3.318 0.030 1 937 84 84 ARG HD3 H 3.318 0.030 1 938 84 84 ARG C C 178.766 0.300 1 939 84 84 ARG CA C 58.678 0.300 1 940 84 84 ARG CB C 29.865 0.300 1 941 84 84 ARG CG C 27.566 0.300 1 942 84 84 ARG CD C 43.654 0.300 1 943 84 84 ARG N N 117.217 0.300 1 944 85 85 LEU H H 7.527 0.030 1 945 85 85 LEU HA H 4.201 0.030 1 946 85 85 LEU HB2 H 1.991 0.030 2 947 85 85 LEU HB3 H 1.580 0.030 2 948 85 85 LEU HG H 1.845 0.030 1 949 85 85 LEU HD1 H 0.842 0.030 1 950 85 85 LEU HD2 H 0.889 0.030 1 951 85 85 LEU C C 178.474 0.300 1 952 85 85 LEU CA C 56.989 0.300 1 953 85 85 LEU CB C 42.113 0.300 1 954 85 85 LEU CG C 26.957 0.300 1 955 85 85 LEU CD1 C 25.315 0.300 2 956 85 85 LEU CD2 C 23.541 0.300 2 957 85 85 LEU N N 118.255 0.300 1 958 86 86 LEU H H 7.671 0.030 1 959 86 86 LEU HA H 4.167 0.030 1 960 86 86 LEU HB2 H 1.863 0.030 2 961 86 86 LEU HB3 H 1.669 0.030 2 962 86 86 LEU HG H 1.755 0.030 1 963 86 86 LEU HD1 H 0.944 0.030 1 964 86 86 LEU HD2 H 0.913 0.030 1 965 86 86 LEU C C 177.745 0.300 1 966 86 86 LEU CA C 56.403 0.300 1 967 86 86 LEU CB C 42.354 0.300 1 968 86 86 LEU CG C 27.062 0.300 1 969 86 86 LEU CD1 C 25.354 0.300 2 970 86 86 LEU CD2 C 23.706 0.300 2 971 86 86 LEU N N 118.060 0.300 1 972 87 87 ASP H H 7.970 0.030 1 973 87 87 ASP HA H 4.683 0.030 1 974 87 87 ASP HB2 H 2.777 0.030 2 975 87 87 ASP HB3 H 2.675 0.030 2 976 87 87 ASP C C 176.349 0.300 1 977 87 87 ASP CA C 54.640 0.300 1 978 87 87 ASP CB C 41.200 0.300 1 979 87 87 ASP N N 118.899 0.300 1 980 88 88 SER H H 7.893 0.030 1 981 88 88 SER HA H 4.738 0.030 1 982 88 88 SER HB2 H 3.979 0.030 2 983 88 88 SER HB3 H 3.946 0.030 2 984 88 88 SER C C 172.705 0.300 1 985 88 88 SER CA C 57.408 0.300 1 986 88 88 SER CB C 63.392 0.300 1 987 88 88 SER N N 116.922 0.300 1 988 89 89 PRO HA H 4.498 0.030 1 989 89 89 PRO HB2 H 2.346 0.030 2 990 89 89 PRO HB3 H 1.943 0.030 2 991 89 89 PRO HG2 H 2.036 0.030 1 992 89 89 PRO HG3 H 2.036 0.030 1 993 89 89 PRO HD2 H 3.869 0.030 2 994 89 89 PRO HD3 H 3.735 0.030 2 995 89 89 PRO C C 177.151 0.300 1 996 89 89 PRO CA C 63.686 0.300 1 997 89 89 PRO CB C 32.103 0.300 1 998 89 89 PRO CG C 27.580 0.300 1 999 89 89 PRO CD C 50.826 0.300 1 1000 90 90 ARG H H 8.467 0.030 1 1001 90 90 ARG HA H 4.446 0.030 1 1002 90 90 ARG HB2 H 1.929 0.030 2 1003 90 90 ARG HB3 H 1.837 0.030 2 1004 90 90 ARG HG2 H 1.751 0.030 1 1005 90 90 ARG HG3 H 1.751 0.030 1 1006 90 90 ARG HD2 H 3.246 0.030 1 1007 90 90 ARG HD3 H 3.246 0.030 1 1008 90 90 ARG C C 176.786 0.300 1 1009 90 90 ARG CA C 56.200 0.300 1 1010 90 90 ARG CB C 30.824 0.300 1 1011 90 90 ARG CG C 27.003 0.300 1 1012 90 90 ARG CD C 43.407 0.300 1 1013 90 90 ARG N N 120.964 0.300 1 1014 91 91 THR H H 8.224 0.030 1 1015 91 91 THR HA H 4.467 0.030 1 1016 91 91 THR HB H 4.296 0.030 1 1017 91 91 THR HG2 H 1.237 0.030 1 1018 91 91 THR C C 174.794 0.300 1 1019 91 91 THR CA C 61.815 0.300 1 1020 91 91 THR CB C 69.996 0.300 1 1021 91 91 THR CG2 C 21.645 0.300 1 1022 91 91 THR N N 114.904 0.300 1 1023 92 92 THR H H 8.240 0.030 1 1024 92 92 THR HA H 4.410 0.030 1 1025 92 92 THR HB H 4.256 0.030 1 1026 92 92 THR HG2 H 1.229 0.030 1 1027 92 92 THR C C 174.552 0.300 1 1028 92 92 THR CA C 61.816 0.300 1 1029 92 92 THR CB C 69.868 0.300 1 1030 92 92 THR CG2 C 21.727 0.300 1 1031 92 92 THR N N 116.485 0.300 1 1032 93 93 LYS H H 8.427 0.030 1 1033 93 93 LYS HA H 4.316 0.030 1 1034 93 93 LYS HB2 H 1.875 0.030 2 1035 93 93 LYS HB3 H 1.812 0.030 2 1036 93 93 LYS HG2 H 1.496 0.030 2 1037 93 93 LYS HG3 H 1.439 0.030 2 1038 93 93 LYS HD2 H 1.739 0.030 1 1039 93 93 LYS HD3 H 1.739 0.030 1 1040 93 93 LYS HE2 H 3.033 0.030 1 1041 93 93 LYS HE3 H 3.033 0.030 1 1042 93 93 LYS C C 177.057 0.300 1 1043 93 93 LYS CA C 56.791 0.300 1 1044 93 93 LYS CB C 33.080 0.300 1 1045 93 93 LYS CG C 24.777 0.300 1 1046 93 93 LYS CD C 29.064 0.300 1 1047 93 93 LYS CE C 42.171 0.300 1 1048 93 93 LYS N N 123.751 0.300 1 1049 94 94 GLY H H 8.467 0.030 1 1050 94 94 GLY HA2 H 3.984 0.030 1 1051 94 94 GLY HA3 H 3.984 0.030 1 1052 94 94 GLY C C 174.272 0.300 1 1053 94 94 GLY CA C 45.327 0.300 1 1054 94 94 GLY N N 110.241 0.300 1 1055 95 95 GLU H H 8.299 0.030 1 1056 95 95 GLU HA H 4.292 0.030 1 1057 95 95 GLU HB2 H 2.064 0.030 2 1058 95 95 GLU HB3 H 1.975 0.030 2 1059 95 95 GLU HG2 H 2.285 0.030 1 1060 95 95 GLU HG3 H 2.285 0.030 1 1061 95 95 GLU C C 176.774 0.300 1 1062 95 95 GLU CA C 56.759 0.300 1 1063 95 95 GLU CB C 30.440 0.300 1 1064 95 95 GLU CG C 36.318 0.300 1 1065 95 95 GLU N N 120.773 0.300 1 1066 96 96 ARG H H 8.434 0.030 1 1067 96 96 ARG HA H 4.339 0.030 1 1068 96 96 ARG HB2 H 1.898 0.030 2 1069 96 96 ARG HB3 H 1.822 0.030 2 1070 96 96 ARG HG2 H 1.668 0.030 1 1071 96 96 ARG HG3 H 1.668 0.030 1 1072 96 96 ARG HD2 H 3.235 0.030 1 1073 96 96 ARG HD3 H 3.235 0.030 1 1074 96 96 ARG C C 176.507 0.300 1 1075 96 96 ARG CA C 56.350 0.300 1 1076 96 96 ARG CB C 30.731 0.300 1 1077 96 96 ARG CG C 27.168 0.300 1 1078 96 96 ARG CD C 43.407 0.300 1 1079 96 96 ARG N N 121.342 0.300 1 1080 97 97 GLU H H 8.492 0.030 1 1081 97 97 GLU HA H 4.327 0.030 1 1082 97 97 GLU HB2 H 2.054 0.030 1 1083 97 97 GLU HB3 H 2.054 0.030 1 1084 97 97 GLU HG2 H 2.309 0.030 1 1085 97 97 GLU HG3 H 2.309 0.030 1 1086 97 97 GLU C C 176.543 0.300 1 1087 97 97 GLU CA C 56.791 0.300 1 1088 97 97 GLU CB C 30.277 0.300 1 1089 97 97 GLU CG C 36.400 0.300 1 1090 97 97 GLU N N 122.139 0.300 1 1091 98 98 SER H H 8.370 0.030 1 1092 98 98 SER HA H 4.505 0.030 1 1093 98 98 SER HB2 H 3.901 0.030 1 1094 98 98 SER HB3 H 3.901 0.030 1 1095 98 98 SER C C 174.612 0.300 1 1096 98 98 SER CA C 58.431 0.300 1 1097 98 98 SER CB C 64.074 0.300 1 1098 98 98 SER N N 116.764 0.300 1 1099 99 99 GLY H H 8.267 0.030 1 1100 99 99 GLY HA2 H 4.191 0.030 2 1101 99 99 GLY HA3 H 4.127 0.030 2 1102 99 99 GLY C C 171.855 0.300 1 1103 99 99 GLY CA C 44.711 0.300 1 1104 99 99 GLY N N 110.727 0.300 1 1105 100 100 PRO HA H 4.493 0.030 1 1106 100 100 PRO HB2 H 2.314 0.030 2 1107 100 100 PRO HB3 H 2.007 0.030 2 1108 100 100 PRO HG2 H 2.048 0.030 1 1109 100 100 PRO HG3 H 2.048 0.030 1 1110 100 100 PRO HD2 H 3.656 0.030 1 1111 100 100 PRO HD3 H 3.656 0.030 1 1112 100 100 PRO C C 177.491 0.300 1 1113 100 100 PRO CA C 63.363 0.300 1 1114 100 100 PRO CB C 32.196 0.300 1 1115 100 100 PRO CG C 27.168 0.300 1 1116 100 100 PRO CD C 49.861 0.300 1 1117 101 101 SER H H 8.546 0.030 1 1118 101 101 SER HA H 4.517 0.030 1 1119 101 101 SER HB2 H 3.925 0.030 1 1120 101 101 SER HB3 H 3.925 0.030 1 1121 101 101 SER C C 174.703 0.300 1 1122 101 101 SER CA C 58.391 0.300 1 1123 101 101 SER CB C 63.851 0.300 1 1124 101 101 SER N N 116.437 0.300 1 1125 102 102 SER H H 8.351 0.030 1 1126 102 102 SER N N 117.852 0.300 1 stop_ save_