data_19320 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N NMR assignments of RNA recognition motif of human Taf15 ; _BMRB_accession_number 19320 _BMRB_flat_file_name bmr19320.str _Entry_type original _Submission_date 2013-06-25 _Accession_date 2013-06-25 _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 Kashyap Maruthi . . 2 Ganguly Akshay . . 3 Bhavesh 'Neel Sarovar' . . 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" 412 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-23 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19316 'ETR-3 RRM3 unfolded' stop_ _Original_release_date 2015-03-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N NMR assignments of RNA recognition motif of human Taf15' _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 Kashyap Maruthi . . 2 Ganguly Akshay . . 3 Bhavesh 'Neel Sarovar' . . stop_ _Journal_abbreviation 'Not known' _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 Taf15 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Taf15 $Taf15 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Taf15 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Taf15 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'RNA binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GSHMSDNNTIFVQGLGEGVS TDQVGEFFKQIGIIKTNKKT GKPMINLYTDKDTGKPKGEA TVSFDDPPSAKAAIDWFDGK EFHGNIIKVSFATRRPE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 SER 6 ASP 7 ASN 8 ASN 9 THR 10 ILE 11 PHE 12 VAL 13 GLN 14 GLY 15 LEU 16 GLY 17 GLU 18 GLY 19 VAL 20 SER 21 THR 22 ASP 23 GLN 24 VAL 25 GLY 26 GLU 27 PHE 28 PHE 29 LYS 30 GLN 31 ILE 32 GLY 33 ILE 34 ILE 35 LYS 36 THR 37 ASN 38 LYS 39 LYS 40 THR 41 GLY 42 LYS 43 PRO 44 MET 45 ILE 46 ASN 47 LEU 48 TYR 49 THR 50 ASP 51 LYS 52 ASP 53 THR 54 GLY 55 LYS 56 PRO 57 LYS 58 GLY 59 GLU 60 ALA 61 THR 62 VAL 63 SER 64 PHE 65 ASP 66 ASP 67 PRO 68 PRO 69 SER 70 ALA 71 LYS 72 ALA 73 ALA 74 ILE 75 ASP 76 TRP 77 PHE 78 ASP 79 GLY 80 LYS 81 GLU 82 PHE 83 HIS 84 GLY 85 ASN 86 ILE 87 ILE 88 LYS 89 VAL 90 SER 91 PHE 92 ALA 93 THR 94 ARG 95 ARG 96 PRO 97 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 BMRB 19561 Taf-RRM-RanBP 100.00 162 100.00 100.00 3.19e-62 PDB 2MMY "Solution Structure Of The Rna Recognition Motif Of Human Taf15" 100.00 97 100.00 100.00 6.20e-63 DBJ BAA33811 "RBP56/hTAFII68 [Homo sapiens]" 98.97 592 97.92 97.92 5.11e-59 DBJ BAA33812 "RBP56/hTAFII68 [Homo sapiens]" 98.97 589 97.92 97.92 1.22e-46 DBJ BAB46889 "hypothetical protein [Macaca fascicularis]" 98.97 397 97.92 97.92 2.03e-58 DBJ BAC34676 "unnamed protein product [Mus musculus]" 98.97 557 97.92 97.92 5.34e-47 DBJ BAE27086 "unnamed protein product [Mus musculus]" 98.97 557 97.92 97.92 5.34e-47 EMBL CAA67398 "hTAFII68 [Homo sapiens]" 98.97 589 97.92 97.92 1.22e-46 GB AAC50932 "putative RNA binding protein RBP56 [Homo sapiens]" 98.97 592 97.92 97.92 5.11e-59 GB AAH46099 "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Homo sapiens]" 98.97 592 97.92 97.92 5.11e-59 GB AAI37592 "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor [Mus musculus]" 98.97 557 97.92 97.92 5.34e-47 GB AAI66769 "Taf15 protein [Rattus norvegicus]" 98.97 572 97.92 97.92 6.18e-47 GB AAO13485 "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Homo sapiens]" 98.97 589 97.92 97.92 1.22e-46 REF NP_001099294 "TATA-binding protein-associated factor 2N [Rattus norvegicus]" 95.88 394 100.00 100.00 5.70e-57 REF NP_001302693 "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Sus scrofa]" 98.97 602 97.92 97.92 5.67e-59 REF NP_003478 "TATA-binding protein-associated factor 2N isoform 2 [Homo sapiens]" 98.97 589 97.92 97.92 1.22e-46 REF NP_081703 "TATA-binding protein-associated factor 2N [Mus musculus]" 98.97 557 97.92 97.92 5.34e-47 REF NP_631961 "TATA-binding protein-associated factor 2N isoform 1 [Homo sapiens]" 98.97 592 97.92 97.92 5.11e-59 SP Q92804 "RecName: Full=TATA-binding protein-associated factor 2N; AltName: Full=68 kDa TATA-binding protein-associated factor; Short=TAF" 98.97 592 97.92 97.92 5.11e-59 TPG DAA19087 "TPA: TBP-associated factor 15-like [Bos taurus]" 98.97 591 97.92 97.92 1.23e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Taf15 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Taf15 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'phosphate buffer, pH=6.2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Taf15 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Taf15 _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 1 1 GLY HA2 H 3.905 0.020 1 2 1 1 GLY HA3 H 3.905 0.020 1 3 1 1 GLY C C 170.340 0.3 1 4 1 1 GLY CA C 43.388 0.3 1 5 2 2 SER H H 8.741 0.020 1 6 2 2 SER HA H 4.472 0.020 1 7 2 2 SER HB2 H 3.800 0.020 1 8 2 2 SER HB3 H 3.800 0.020 1 9 2 2 SER C C 174.370 0.3 1 10 2 2 SER CA C 58.269 0.3 1 11 2 2 SER CB C 64.033 0.3 1 12 2 2 SER N N 115.657 0.3 1 13 3 3 HIS H H 8.789 0.020 1 14 3 3 HIS HA H 4.737 0.020 1 15 3 3 HIS HB2 H 3.329 0.020 2 16 3 3 HIS HB3 H 3.170 0.020 2 17 3 3 HIS HD2 H 7.279 0.020 1 18 3 3 HIS HE1 H 8.517 0.020 1 19 3 3 HIS C C 174.694 0.3 1 20 3 3 HIS CA C 55.592 0.3 1 21 3 3 HIS CB C 28.910 0.3 1 22 3 3 HIS CD2 C 120.159 0.3 1 23 3 3 HIS CE1 C 136.663 0.3 1 24 3 3 HIS N N 120.853 0.3 1 25 4 4 MET H H 8.530 0.020 1 26 4 4 MET HA H 4.422 0.020 1 27 4 4 MET HB2 H 2.028 0.020 1 28 4 4 MET HB3 H 2.028 0.020 1 29 4 4 MET HG2 H 2.501 0.020 1 30 4 4 MET HG3 H 2.501 0.020 1 31 4 4 MET C C 176.320 0.3 1 32 4 4 MET CA C 56.018 0.3 1 33 4 4 MET CB C 32.886 0.3 1 34 4 4 MET CG C 29.697 0.3 1 35 4 4 MET N N 121.827 0.3 1 36 5 5 SER H H 8.388 0.020 1 37 5 5 SER HA H 4.419 0.020 1 38 5 5 SER HB2 H 3.830 0.020 1 39 5 5 SER HB3 H 3.830 0.020 1 40 5 5 SER C C 174.081 0.3 1 41 5 5 SER CA C 58.409 0.3 1 42 5 5 SER CB C 63.898 0.3 1 43 5 5 SER N N 116.420 0.3 1 44 6 6 ASP H H 8.235 0.020 1 45 6 6 ASP HA H 4.556 0.020 1 46 6 6 ASP HB2 H 2.652 0.020 1 47 6 6 ASP HB3 H 2.652 0.020 1 48 6 6 ASP C C 175.424 0.3 1 49 6 6 ASP CA C 53.984 0.3 1 50 6 6 ASP CB C 41.135 0.3 1 51 6 6 ASP N N 122.076 0.3 1 52 7 7 ASN H H 8.250 0.020 1 53 7 7 ASN HA H 4.588 0.020 1 54 7 7 ASN HB2 H 2.703 0.020 2 55 7 7 ASN HB3 H 2.534 0.020 2 56 7 7 ASN HD21 H 7.399 0.020 1 57 7 7 ASN HD22 H 6.998 0.020 1 58 7 7 ASN C C 174.411 0.3 1 59 7 7 ASN CA C 53.469 0.3 1 60 7 7 ASN CB C 38.377 0.3 1 61 7 7 ASN N N 119.610 0.3 1 62 7 7 ASN ND2 N 110.891 0.3 1 63 8 8 ASN H H 8.363 0.020 1 64 8 8 ASN HA H 4.924 0.020 1 65 8 8 ASN HB2 H 3.563 0.020 2 66 8 8 ASN HB3 H 2.548 0.020 2 67 8 8 ASN HD21 H 7.653 0.020 1 68 8 8 ASN HD22 H 7.279 0.020 1 69 8 8 ASN C C 175.236 0.3 1 70 8 8 ASN CA C 53.208 0.3 1 71 8 8 ASN CB C 38.633 0.3 1 72 8 8 ASN N N 119.188 0.3 1 73 8 8 ASN ND2 N 114.335 0.3 1 74 9 9 THR H H 8.478 0.020 1 75 9 9 THR HA H 5.560 0.020 1 76 9 9 THR HB H 4.146 0.020 1 77 9 9 THR HG2 H 1.170 0.020 1 78 9 9 THR C C 173.657 0.3 1 79 9 9 THR CA C 62.250 0.3 1 80 9 9 THR CB C 71.672 0.3 1 81 9 9 THR CG2 C 21.071 0.3 1 82 9 9 THR N N 118.725 0.3 1 83 10 10 ILE H H 8.891 0.020 1 84 10 10 ILE HA H 5.216 0.020 1 85 10 10 ILE HB H 1.849 0.020 1 86 10 10 ILE HG12 H 1.251 0.020 1 87 10 10 ILE HG13 H 1.251 0.020 1 88 10 10 ILE HG2 H 0.848 0.020 1 89 10 10 ILE HD1 H 0.223 0.020 1 90 10 10 ILE C C 173.615 0.3 1 91 10 10 ILE CA C 59.204 0.3 1 92 10 10 ILE CB C 40.059 0.3 1 93 10 10 ILE CG1 C 26.326 0.3 1 94 10 10 ILE CG2 C 19.203 0.3 1 95 10 10 ILE CD1 C 14.040 0.3 1 96 10 10 ILE N N 118.953 0.3 1 97 11 11 PHE H H 9.572 0.020 1 98 11 11 PHE HA H 5.454 0.020 1 99 11 11 PHE HB2 H 2.835 0.020 2 100 11 11 PHE HB3 H 2.722 0.020 2 101 11 11 PHE HD1 H 7.354 0.020 1 102 11 11 PHE HD2 H 7.354 0.020 1 103 11 11 PHE HE1 H 7.137 0.020 1 104 11 11 PHE HE2 H 7.137 0.020 1 105 11 11 PHE C C 173.482 0.3 1 106 11 11 PHE CA C 55.035 0.3 1 107 11 11 PHE CB C 41.626 0.3 1 108 11 11 PHE CD1 C 131.878 0.3 1 109 11 11 PHE CD2 C 131.878 0.3 1 110 11 11 PHE CE1 C 131.295 0.3 1 111 11 11 PHE CE2 C 131.295 0.3 1 112 11 11 PHE N N 123.730 0.3 1 113 12 12 VAL H H 9.080 0.020 1 114 12 12 VAL HA H 4.991 0.020 1 115 12 12 VAL HB H 1.693 0.020 1 116 12 12 VAL HG1 H 0.865 0.020 2 117 12 12 VAL HG2 H 0.704 0.020 2 118 12 12 VAL C C 173.350 0.3 1 119 12 12 VAL CA C 59.712 0.3 1 120 12 12 VAL CB C 34.520 0.3 1 121 12 12 VAL CG1 C 22.020 0.3 1 122 12 12 VAL CG2 C 21.775 0.3 1 123 12 12 VAL N N 128.193 0.3 1 124 13 13 GLN H H 8.846 0.020 1 125 13 13 GLN HA H 4.783 0.020 1 126 13 13 GLN HB2 H 1.567 0.020 1 127 13 13 GLN HB3 H 1.567 0.020 1 128 13 13 GLN HG2 H 1.945 0.020 1 129 13 13 GLN HG3 H 1.945 0.020 1 130 13 13 GLN HE21 H 7.956 0.020 1 131 13 13 GLN HE22 H 7.040 0.020 1 132 13 13 GLN C C 174.906 0.3 1 133 13 13 GLN CA C 53.880 0.3 1 134 13 13 GLN CB C 34.470 0.3 1 135 13 13 GLN CG C 35.416 0.3 1 136 13 13 GLN N N 122.557 0.3 1 137 13 13 GLN NE2 N 113.695 0.3 1 138 14 14 GLY H H 8.343 0.020 1 139 14 14 GLY HA2 H 4.478 0.020 2 140 14 14 GLY HA3 H 3.755 0.020 2 141 14 14 GLY C C 174.788 0.3 1 142 14 14 GLY CA C 45.484 0.3 1 143 14 14 GLY N N 109.248 0.3 1 144 15 15 LEU H H 8.261 0.020 1 145 15 15 LEU HA H 3.715 0.020 1 146 15 15 LEU HB2 H 1.505 0.020 1 147 15 15 LEU HB3 H 1.505 0.020 1 148 15 15 LEU HG H 1.784 0.020 1 149 15 15 LEU HD1 H 0.519 0.020 1 150 15 15 LEU HD2 H 0.519 0.020 1 151 15 15 LEU C C 177.097 0.3 1 152 15 15 LEU CA C 55.895 0.3 1 153 15 15 LEU CB C 42.613 0.3 1 154 15 15 LEU N N 116.860 0.3 1 155 16 16 GLY H H 8.038 0.020 1 156 16 16 GLY HA2 H 4.061 0.020 2 157 16 16 GLY HA3 H 3.765 0.020 2 158 16 16 GLY C C 172.997 0.3 1 159 16 16 GLY CA C 43.869 0.3 1 160 16 16 GLY N N 105.038 0.3 1 161 17 17 GLU H H 8.366 0.020 1 162 17 17 GLU HA H 4.081 0.020 1 163 17 17 GLU HB2 H 1.994 0.020 1 164 17 17 GLU HB3 H 1.994 0.020 1 165 17 17 GLU HG2 H 2.311 0.020 1 166 17 17 GLU HG3 H 2.311 0.020 1 167 17 17 GLU C C 177.875 0.3 1 168 17 17 GLU CA C 57.384 0.3 1 169 17 17 GLU CB C 30.271 0.3 1 170 17 17 GLU CG C 36.279 0.3 1 171 17 17 GLU N N 117.386 0.3 1 172 18 18 GLY H H 8.719 0.020 1 173 18 18 GLY HA2 H 4.055 0.020 2 174 18 18 GLY HA3 H 3.754 0.020 2 175 18 18 GLY C C 174.152 0.3 1 176 18 18 GLY CA C 45.513 0.3 1 177 18 18 GLY N N 109.145 0.3 1 178 19 19 VAL H H 7.012 0.020 1 179 19 19 VAL HA H 4.312 0.020 1 180 19 19 VAL HB H 1.985 0.020 1 181 19 19 VAL HG1 H 0.932 0.020 2 182 19 19 VAL HG2 H 0.812 0.020 2 183 19 19 VAL C C 173.115 0.3 1 184 19 19 VAL CA C 61.729 0.3 1 185 19 19 VAL CB C 32.454 0.3 1 186 19 19 VAL CG1 C 23.352 0.3 1 187 19 19 VAL CG2 C 20.828 0.3 1 188 19 19 VAL N N 119.790 0.3 1 189 20 20 SER H H 7.729 0.020 1 190 20 20 SER HA H 4.961 0.020 1 191 20 20 SER HB2 H 4.376 0.020 2 192 20 20 SER HB3 H 3.896 0.020 2 193 20 20 SER C C 175.754 0.3 1 194 20 20 SER CA C 55.530 0.3 1 195 20 20 SER CB C 67.168 0.3 1 196 20 20 SER N N 118.758 0.3 1 197 21 21 THR H H 9.191 0.020 1 198 21 21 THR HA H 4.629 0.020 1 199 21 21 THR HB H 3.640 0.020 1 200 21 21 THR HG2 H 1.280 0.020 1 201 21 21 THR C C 176.244 0.3 1 202 21 21 THR CA C 55.667 0.3 1 203 21 21 THR CB C 67.330 0.3 1 204 21 21 THR CG2 C 22.685 0.3 1 205 21 21 THR N N 116.533 0.3 1 206 22 22 ASP H H 8.407 0.020 1 207 22 22 ASP HA H 4.421 0.020 1 208 22 22 ASP HB2 H 2.709 0.020 2 209 22 22 ASP HB3 H 2.591 0.020 2 210 22 22 ASP C C 178.584 0.3 1 211 22 22 ASP CA C 57.221 0.3 1 212 22 22 ASP CB C 40.283 0.3 1 213 22 22 ASP N N 120.392 0.3 1 214 23 23 GLN H H 7.725 0.020 1 215 23 23 GLN HA H 3.800 0.020 1 216 23 23 GLN HB2 H 2.019 0.020 1 217 23 23 GLN HB3 H 2.019 0.020 1 218 23 23 GLN HG2 H 2.520 0.020 2 219 23 23 GLN HG3 H 2.391 0.020 2 220 23 23 GLN HE21 H 7.305 0.020 1 221 23 23 GLN HE22 H 6.613 0.020 1 222 23 23 GLN C C 180.206 0.3 1 223 23 23 GLN CA C 58.814 0.3 1 224 23 23 GLN CB C 29.863 0.3 1 225 23 23 GLN CG C 34.413 0.3 1 226 23 23 GLN N N 118.673 0.3 1 227 23 23 GLN NE2 N 109.595 0.3 1 228 24 24 VAL H H 7.888 0.020 1 229 24 24 VAL HA H 3.649 0.020 1 230 24 24 VAL HB H 2.260 0.020 1 231 24 24 VAL HG1 H 0.846 0.020 2 232 24 24 VAL HG2 H 0.823 0.020 2 233 24 24 VAL C C 177.870 0.3 1 234 24 24 VAL CA C 67.157 0.3 1 235 24 24 VAL CB C 31.755 0.3 1 236 24 24 VAL CG1 C 24.071 0.3 1 237 24 24 VAL CG2 C 22.739 0.3 1 238 24 24 VAL N N 120.609 0.3 1 239 25 25 GLY H H 8.705 0.020 1 240 25 25 GLY HA2 H 4.061 0.020 2 241 25 25 GLY HA3 H 3.655 0.020 2 242 25 25 GLY C C 175.582 0.3 1 243 25 25 GLY CA C 47.963 0.3 1 244 25 25 GLY N N 107.321 0.3 1 245 26 26 GLU H H 8.218 0.020 1 246 26 26 GLU HA H 4.006 0.020 1 247 26 26 GLU HB2 H 2.174 0.020 2 248 26 26 GLU HB3 H 2.134 0.020 2 249 26 26 GLU HG2 H 2.417 0.020 1 250 26 26 GLU HG3 H 2.417 0.020 1 251 26 26 GLU C C 177.595 0.3 1 252 26 26 GLU CA C 58.904 0.3 1 253 26 26 GLU CB C 29.821 0.3 1 254 26 26 GLU CG C 36.016 0.3 1 255 26 26 GLU N N 119.752 0.3 1 256 27 27 PHE H H 7.593 0.020 1 257 27 27 PHE HA H 4.332 0.020 1 258 27 27 PHE HB2 H 3.209 0.020 2 259 27 27 PHE HB3 H 2.874 0.020 2 260 27 27 PHE HD1 H 6.935 0.020 1 261 27 27 PHE HD2 H 6.935 0.020 1 262 27 27 PHE HE1 H 7.465 0.020 1 263 27 27 PHE HE2 H 7.465 0.020 1 264 27 27 PHE C C 177.533 0.3 1 265 27 27 PHE CA C 60.700 0.3 1 266 27 27 PHE CB C 40.759 0.3 1 267 27 27 PHE CD1 C 130.467 0.3 1 268 27 27 PHE CD2 C 130.467 0.3 1 269 27 27 PHE CE1 C 132.063 0.3 1 270 27 27 PHE CE2 C 132.063 0.3 1 271 27 27 PHE N N 118.576 0.3 1 272 28 28 PHE H H 7.999 0.020 1 273 28 28 PHE HA H 4.320 0.020 1 274 28 28 PHE HB2 H 3.461 0.020 2 275 28 28 PHE HB3 H 2.801 0.020 2 276 28 28 PHE HD1 H 6.082 0.020 1 277 28 28 PHE HD2 H 6.082 0.020 1 278 28 28 PHE HE1 H 6.617 0.020 1 279 28 28 PHE HE2 H 6.617 0.020 1 280 28 28 PHE C C 177.182 0.3 1 281 28 28 PHE CA C 61.989 0.3 1 282 28 28 PHE CB C 39.643 0.3 1 283 28 28 PHE CD1 C 131.167 0.3 1 284 28 28 PHE CD2 C 131.167 0.3 1 285 28 28 PHE CE1 C 131.178 0.3 1 286 28 28 PHE CE2 C 131.178 0.3 1 287 28 28 PHE N N 112.399 0.3 1 288 29 29 LYS H H 8.142 0.020 1 289 29 29 LYS HA H 4.828 0.020 1 290 29 29 LYS HB2 H 2.139 0.020 2 291 29 29 LYS HB3 H 1.995 0.020 2 292 29 29 LYS HG2 H 1.324 0.020 1 293 29 29 LYS HG3 H 1.324 0.020 1 294 29 29 LYS HD2 H 1.691 0.020 1 295 29 29 LYS HD3 H 1.691 0.020 1 296 29 29 LYS HE2 H 2.976 0.020 1 297 29 29 LYS HE3 H 2.976 0.020 1 298 29 29 LYS C C 176.832 0.3 1 299 29 29 LYS CA C 58.302 0.3 1 300 29 29 LYS CB C 31.465 0.3 1 301 29 29 LYS CG C 24.225 0.3 1 302 29 29 LYS CD C 30.068 0.3 1 303 29 29 LYS CE C 41.948 0.3 1 304 29 29 LYS N N 119.345 0.3 1 305 30 30 GLN H H 7.479 0.020 1 306 30 30 GLN HA H 4.121 0.020 1 307 30 30 GLN HB2 H 2.122 0.020 2 308 30 30 GLN HB3 H 1.999 0.020 2 309 30 30 GLN HG2 H 2.444 0.020 2 310 30 30 GLN HG3 H 2.300 0.020 2 311 30 30 GLN HE21 H 7.554 0.020 1 312 30 30 GLN HE22 H 6.744 0.020 1 313 30 30 GLN C C 176.722 0.3 1 314 30 30 GLN CA C 57.617 0.3 1 315 30 30 GLN CB C 30.016 0.3 1 316 30 30 GLN CG C 34.413 0.3 1 317 30 30 GLN N N 115.545 0.3 1 318 30 30 GLN NE2 N 111.959 0.3 1 319 31 31 ILE H H 7.777 0.020 1 320 31 31 ILE HA H 4.183 0.020 1 321 31 31 ILE HB H 1.917 0.020 1 322 31 31 ILE HG12 H 1.358 0.020 2 323 31 31 ILE HG13 H 1.226 0.020 2 324 31 31 ILE HG2 H 0.776 0.020 1 325 31 31 ILE HD1 H 0.360 0.020 1 326 31 31 ILE C C 175.046 0.3 1 327 31 31 ILE CA C 58.618 0.3 1 328 31 31 ILE CB C 39.756 0.3 1 329 31 31 ILE CG1 C 29.331 0.3 1 330 31 31 ILE CG2 C 19.227 0.3 1 331 31 31 ILE CD1 C 11.834 0.3 1 332 31 31 ILE N N 116.070 0.3 1 333 32 32 GLY H H 7.351 0.020 1 334 32 32 GLY HA2 H 4.082 0.020 2 335 32 32 GLY HA3 H 3.932 0.020 2 336 32 32 GLY C C 170.278 0.3 1 337 32 32 GLY CA C 45.062 0.3 1 338 32 32 GLY N N 107.158 0.3 1 339 33 33 ILE H H 8.109 0.020 1 340 33 33 ILE HA H 4.095 0.020 1 341 33 33 ILE HB H 1.822 0.020 1 342 33 33 ILE HG12 H 1.688 0.020 2 343 33 33 ILE HG13 H 1.295 0.020 2 344 33 33 ILE HG2 H 0.900 0.020 1 345 33 33 ILE HD1 H 0.925 0.020 1 346 33 33 ILE C C 177.313 0.3 1 347 33 33 ILE CA C 61.573 0.3 1 348 33 33 ILE CB C 38.714 0.3 1 349 33 33 ILE CG1 C 27.991 0.3 1 350 33 33 ILE CG2 C 17.712 0.3 1 351 33 33 ILE CD1 C 12.280 0.3 1 352 33 33 ILE N N 117.513 0.3 1 353 34 34 ILE H H 8.774 0.020 1 354 34 34 ILE HA H 3.810 0.020 1 355 34 34 ILE HB H 1.676 0.020 1 356 34 34 ILE HG12 H 0.517 0.020 1 357 34 34 ILE HG13 H 0.517 0.020 1 358 34 34 ILE HG2 H 0.831 0.020 1 359 34 34 ILE HD1 H 0.771 0.020 1 360 34 34 ILE C C 175.678 0.3 1 361 34 34 ILE CA C 61.615 0.3 1 362 34 34 ILE CB C 37.932 0.3 1 363 34 34 ILE CG1 C 28.804 0.3 1 364 34 34 ILE CG2 C 16.754 0.3 1 365 34 34 ILE CD1 C 13.815 0.3 1 366 34 34 ILE N N 132.012 0.3 1 367 35 35 LYS H H 8.727 0.020 1 368 35 35 LYS HA H 4.079 0.020 1 369 35 35 LYS HB2 H 1.487 0.020 2 370 35 35 LYS HB3 H 1.158 0.020 2 371 35 35 LYS HG2 H 1.146 0.020 1 372 35 35 LYS HG3 H 1.146 0.020 1 373 35 35 LYS HD2 H 1.648 0.020 1 374 35 35 LYS HD3 H 1.648 0.020 1 375 35 35 LYS HE2 H 3.030 0.020 1 376 35 35 LYS HE3 H 3.030 0.020 1 377 35 35 LYS C C 174.929 0.3 1 378 35 35 LYS CA C 57.477 0.3 1 379 35 35 LYS CB C 34.054 0.3 1 380 35 35 LYS CG C 25.098 0.3 1 381 35 35 LYS CD C 29.833 0.3 1 382 35 35 LYS CE C 41.638 0.3 1 383 35 35 LYS N N 130.921 0.3 1 384 36 36 THR H H 8.599 0.020 1 385 36 36 THR HA H 4.292 0.020 1 386 36 36 THR HB H 3.765 0.020 1 387 36 36 THR HG2 H 0.876 0.020 1 388 36 36 THR C C 174.111 0.3 1 389 36 36 THR CA C 61.804 0.3 1 390 36 36 THR CB C 70.328 0.3 1 391 36 36 THR CG2 C 21.406 0.3 1 392 36 36 THR N N 119.728 0.3 1 393 37 37 ASN H H 8.735 0.020 1 394 37 37 ASN HA H 4.534 0.020 1 395 37 37 ASN HB2 H 3.317 0.020 2 396 37 37 ASN HB3 H 2.552 0.020 2 397 37 37 ASN HD21 H 7.009 0.020 1 398 37 37 ASN HD22 H 6.678 0.020 1 399 37 37 ASN C C 176.269 0.3 1 400 37 37 ASN CA C 53.301 0.3 1 401 37 37 ASN CB C 39.092 0.3 1 402 37 37 ASN N N 124.903 0.3 1 403 37 37 ASN ND2 N 111.836 0.3 1 404 38 38 LYS H H 9.043 0.020 1 405 38 38 LYS HA H 4.002 0.020 1 406 38 38 LYS HB2 H 1.876 0.020 1 407 38 38 LYS HB3 H 1.876 0.020 1 408 38 38 LYS HG2 H 1.467 0.020 1 409 38 38 LYS HG3 H 1.467 0.020 1 410 38 38 LYS HD2 H 1.688 0.020 1 411 38 38 LYS HD3 H 1.688 0.020 1 412 38 38 LYS HE2 H 3.008 0.020 1 413 38 38 LYS HE3 H 3.008 0.020 1 414 38 38 LYS C C 177.718 0.3 1 415 38 38 LYS CA C 58.612 0.3 1 416 38 38 LYS CB C 32.489 0.3 1 417 38 38 LYS CG C 24.964 0.3 1 418 38 38 LYS CD C 28.818 0.3 1 419 38 38 LYS CE C 41.928 0.3 1 420 38 38 LYS N N 128.294 0.3 1 421 39 39 LYS H H 8.338 0.020 1 422 39 39 LYS HA H 4.258 0.020 1 423 39 39 LYS HB2 H 1.952 0.020 1 424 39 39 LYS HB3 H 1.952 0.020 1 425 39 39 LYS HG2 H 1.535 0.020 2 426 39 39 LYS HG3 H 1.402 0.020 2 427 39 39 LYS HD2 H 1.705 0.020 1 428 39 39 LYS HD3 H 1.705 0.020 1 429 39 39 LYS HE2 H 3.003 0.020 1 430 39 39 LYS HE3 H 3.003 0.020 1 431 39 39 LYS C C 178.316 0.3 1 432 39 39 LYS CA C 58.374 0.3 1 433 39 39 LYS CB C 32.986 0.3 1 434 39 39 LYS CG C 25.230 0.3 1 435 39 39 LYS CD C 28.883 0.3 1 436 39 39 LYS CE C 41.941 0.3 1 437 39 39 LYS N N 117.437 0.3 1 438 40 40 THR H H 7.499 0.020 1 439 40 40 THR HA H 4.442 0.020 1 440 40 40 THR HB H 4.356 0.020 1 441 40 40 THR HG2 H 1.157 0.020 1 442 40 40 THR C C 176.420 0.3 1 443 40 40 THR CA C 61.246 0.3 1 444 40 40 THR CB C 70.985 0.3 1 445 40 40 THR CG2 C 21.151 0.3 1 446 40 40 THR N N 105.715 0.3 1 447 41 41 GLY H H 8.653 0.020 1 448 41 41 GLY HA2 H 4.173 0.020 2 449 41 41 GLY HA3 H 3.687 0.020 2 450 41 41 GLY C C 173.740 0.3 1 451 41 41 GLY CA C 45.743 0.3 1 452 41 41 GLY N N 111.342 0.3 1 453 42 42 LYS H H 7.694 0.020 1 454 42 42 LYS HA H 4.657 0.020 1 455 42 42 LYS HB2 H 1.657 0.020 1 456 42 42 LYS HB3 H 1.657 0.020 1 457 42 42 LYS C C 174.000 0.3 1 458 42 42 LYS CA C 54.332 0.3 1 459 42 42 LYS CB C 32.514 0.3 1 460 42 42 LYS N N 119.893 0.3 1 461 43 43 PRO HA H 4.597 0.020 1 462 43 43 PRO HB2 H 2.249 0.020 2 463 43 43 PRO HB3 H 2.017 0.020 2 464 43 43 PRO HG2 H 2.070 0.020 1 465 43 43 PRO HG3 H 2.070 0.020 1 466 43 43 PRO HD2 H 3.937 0.020 2 467 43 43 PRO HD3 H 3.687 0.020 2 468 43 43 PRO C C 178.575 0.3 1 469 43 43 PRO CA C 62.887 0.3 1 470 43 43 PRO CB C 32.895 0.3 1 471 43 43 PRO CG C 27.529 0.3 1 472 43 43 PRO CD C 50.637 0.3 1 473 44 44 MET H H 9.040 0.020 1 474 44 44 MET HA H 4.429 0.020 1 475 44 44 MET HB2 H 2.025 0.020 2 476 44 44 MET HB3 H 1.774 0.020 2 477 44 44 MET HG2 H 2.338 0.020 1 478 44 44 MET HG3 H 2.338 0.020 1 479 44 44 MET C C 173.891 0.3 1 480 44 44 MET CA C 55.906 0.3 1 481 44 44 MET CB C 30.983 0.3 1 482 44 44 MET CG C 32.720 0.3 1 483 44 44 MET N N 125.553 0.3 1 484 45 45 ILE H H 7.644 0.020 1 485 45 45 ILE HA H 4.724 0.020 1 486 45 45 ILE HB H 1.483 0.020 1 487 45 45 ILE HG12 H 0.883 0.020 1 488 45 45 ILE HG13 H 0.883 0.020 1 489 45 45 ILE HG2 H 0.766 0.020 1 490 45 45 ILE HD1 H 0.879 0.020 1 491 45 45 ILE C C 174.246 0.3 1 492 45 45 ILE CA C 59.665 0.3 1 493 45 45 ILE CB C 41.816 0.3 1 494 45 45 ILE CG1 C 27.691 0.3 1 495 45 45 ILE CG2 C 16.803 0.3 1 496 45 45 ILE CD1 C 14.170 0.3 1 497 45 45 ILE N N 125.385 0.3 1 498 46 46 ASN H H 8.692 0.020 1 499 46 46 ASN HA H 4.998 0.020 1 500 46 46 ASN HB2 H 2.651 0.020 1 501 46 46 ASN HB3 H 2.651 0.020 1 502 46 46 ASN HD21 H 7.054 0.020 1 503 46 46 ASN HD22 H 6.726 0.020 1 504 46 46 ASN C C 173.327 0.3 1 505 46 46 ASN CA C 51.816 0.3 1 506 46 46 ASN CB C 40.393 0.3 1 507 46 46 ASN N N 125.747 0.3 1 508 46 46 ASN ND2 N 111.815 0.3 1 509 47 47 LEU H H 8.615 0.020 1 510 47 47 LEU HA H 4.744 0.020 1 511 47 47 LEU HB2 H 1.623 0.020 1 512 47 47 LEU HB3 H 1.623 0.020 1 513 47 47 LEU HG H 1.571 0.020 1 514 47 47 LEU HD1 H 0.723 0.020 1 515 47 47 LEU HD2 H 0.723 0.020 1 516 47 47 LEU C C 176.461 0.3 1 517 47 47 LEU CA C 53.778 0.3 1 518 47 47 LEU CB C 42.628 0.3 1 519 47 47 LEU N N 124.072 0.3 1 520 48 48 TYR H H 8.035 0.020 1 521 48 48 TYR HA H 4.774 0.020 1 522 48 48 TYR HB2 H 3.144 0.020 2 523 48 48 TYR HB3 H 2.861 0.020 2 524 48 48 TYR HD1 H 7.188 0.020 1 525 48 48 TYR HD2 H 7.188 0.020 1 526 48 48 TYR HE1 H 6.871 0.020 1 527 48 48 TYR HE2 H 6.871 0.020 1 528 48 48 TYR C C 176.768 0.3 1 529 48 48 TYR CA C 57.863 0.3 1 530 48 48 TYR CB C 39.012 0.3 1 531 48 48 TYR CD1 C 132.511 0.3 1 532 48 48 TYR CD2 C 132.511 0.3 1 533 48 48 TYR CE1 C 118.273 0.3 1 534 48 48 TYR CE2 C 118.273 0.3 1 535 48 48 TYR N N 122.831 0.3 1 536 49 49 THR H H 8.935 0.020 1 537 49 49 THR HA H 4.700 0.020 1 538 49 49 THR HB H 3.786 0.020 1 539 49 49 THR HG2 H 0.990 0.020 1 540 49 49 THR C C 173.751 0.3 1 541 49 49 THR CA C 60.412 0.3 1 542 49 49 THR CB C 71.540 0.3 1 543 49 49 THR CG2 C 21.608 0.3 1 544 49 49 THR N N 116.036 0.3 1 545 50 50 ASP H H 8.754 0.020 1 546 50 50 ASP HA H 4.572 0.020 1 547 50 50 ASP HB2 H 3.121 0.020 2 548 50 50 ASP HB3 H 2.523 0.020 2 549 50 50 ASP C C 177.545 0.3 1 550 50 50 ASP CA C 54.327 0.3 1 551 50 50 ASP CB C 43.012 0.3 1 552 50 50 ASP N N 123.945 0.3 1 553 51 51 LYS H H 8.993 0.020 1 554 51 51 LYS HA H 4.056 0.020 1 555 51 51 LYS HB2 H 1.880 0.020 1 556 51 51 LYS HB3 H 1.880 0.020 1 557 51 51 LYS HG2 H 1.463 0.020 1 558 51 51 LYS HG3 H 1.463 0.020 1 559 51 51 LYS HD2 H 1.679 0.020 1 560 51 51 LYS HD3 H 1.679 0.020 1 561 51 51 LYS HE2 H 3.015 0.020 1 562 51 51 LYS HE3 H 3.015 0.020 1 563 51 51 LYS C C 177.115 0.3 1 564 51 51 LYS CA C 58.729 0.3 1 565 51 51 LYS CB C 32.349 0.3 1 566 51 51 LYS CG C 24.354 0.3 1 567 51 51 LYS CD C 29.021 0.3 1 568 51 51 LYS CE C 41.989 0.3 1 569 51 51 LYS N N 128.080 0.3 1 570 52 52 ASP H H 8.586 0.020 1 571 52 52 ASP HA H 4.700 0.020 1 572 52 52 ASP HB2 H 2.838 0.020 2 573 52 52 ASP HB3 H 2.725 0.020 2 574 52 52 ASP C C 177.828 0.3 1 575 52 52 ASP CA C 56.484 0.3 1 576 52 52 ASP CB C 41.503 0.3 1 577 52 52 ASP N N 118.152 0.3 1 578 53 53 THR H H 8.397 0.020 1 579 53 53 THR HA H 4.443 0.020 1 580 53 53 THR HB H 4.149 0.020 1 581 53 53 THR HG2 H 1.236 0.020 1 582 53 53 THR C C 176.744 0.3 1 583 53 53 THR CA C 61.888 0.3 1 584 53 53 THR CB C 71.200 0.3 1 585 53 53 THR CG2 C 21.098 0.3 1 586 53 53 THR N N 108.243 0.3 1 587 54 54 GLY H H 8.380 0.020 1 588 54 54 GLY HA2 H 4.186 0.020 2 589 54 54 GLY HA3 H 3.804 0.020 2 590 54 54 GLY C C 173.680 0.3 1 591 54 54 GLY CA C 45.628 0.3 1 592 54 54 GLY N N 111.037 0.3 1 593 55 55 LYS H H 7.886 0.020 1 594 55 55 LYS C C 174.370 0.3 1 595 55 55 LYS CA C 54.426 0.3 1 596 55 55 LYS CB C 32.347 0.3 1 597 55 55 LYS N N 120.702 0.3 1 598 56 56 PRO HA H 4.574 0.020 1 599 56 56 PRO HB2 H 2.434 0.020 2 600 56 56 PRO HB3 H 2.239 0.020 2 601 56 56 PRO HG2 H 2.308 0.020 2 602 56 56 PRO HG3 H 2.005 0.020 2 603 56 56 PRO HD2 H 4.058 0.020 2 604 56 56 PRO HD3 H 3.723 0.020 2 605 56 56 PRO C C 177.159 0.3 1 606 56 56 PRO CA C 63.774 0.3 1 607 56 56 PRO CB C 32.728 0.3 1 608 56 56 PRO CG C 28.136 0.3 1 609 56 56 PRO CD C 50.998 0.3 1 610 57 57 LYS H H 8.370 0.020 1 611 57 57 LYS HA H 4.455 0.020 1 612 57 57 LYS HB2 H 1.887 0.020 1 613 57 57 LYS HB3 H 1.887 0.020 1 614 57 57 LYS HG2 H 1.414 0.020 1 615 57 57 LYS HG3 H 1.414 0.020 1 616 57 57 LYS HD2 H 1.645 0.020 1 617 57 57 LYS HD3 H 1.645 0.020 1 618 57 57 LYS HE2 H 2.975 0.020 1 619 57 57 LYS HE3 H 2.975 0.020 1 620 57 57 LYS C C 176.980 0.3 1 621 57 57 LYS CA C 56.101 0.3 1 622 57 57 LYS CB C 34.052 0.3 1 623 57 57 LYS CG C 24.973 0.3 1 624 57 57 LYS CD C 29.244 0.3 1 625 57 57 LYS CE C 41.455 0.3 1 626 57 57 LYS N N 120.380 0.3 1 627 58 58 GLY H H 8.729 0.020 1 628 58 58 GLY HA2 H 4.210 0.020 2 629 58 58 GLY HA3 H 3.703 0.020 2 630 58 58 GLY C C 172.549 0.3 1 631 58 58 GLY CA C 46.386 0.3 1 632 58 58 GLY N N 109.085 0.3 1 633 59 59 GLU H H 7.162 0.020 1 634 59 59 GLU HA H 5.498 0.020 1 635 59 59 GLU HB2 H 1.975 0.020 2 636 59 59 GLU HB3 H 1.848 0.020 2 637 59 59 GLU HG2 H 2.217 0.020 1 638 59 59 GLU HG3 H 2.217 0.020 1 639 59 59 GLU C C 175.919 0.3 1 640 59 59 GLU CA C 53.112 0.3 1 641 59 59 GLU CB C 34.044 0.3 1 642 59 59 GLU CG C 36.403 0.3 1 643 59 59 GLU N N 115.835 0.3 1 644 60 60 ALA H H 8.958 0.020 1 645 60 60 ALA HA H 5.653 0.020 1 646 60 60 ALA HB H 1.017 0.020 1 647 60 60 ALA C C 176.367 0.3 1 648 60 60 ALA CA C 50.866 0.3 1 649 60 60 ALA CB C 23.922 0.3 1 650 60 60 ALA N N 122.523 0.3 1 651 61 61 THR H H 8.642 0.020 1 652 61 61 THR HA H 5.767 0.020 1 653 61 61 THR HB H 4.133 0.020 1 654 61 61 THR HG2 H 1.465 0.020 1 655 61 61 THR C C 174.387 0.3 1 656 61 61 THR CA C 59.620 0.3 1 657 61 61 THR CB C 71.413 0.3 1 658 61 61 THR CG2 C 22.417 0.3 1 659 61 61 THR N N 108.607 0.3 1 660 62 62 VAL H H 8.043 0.020 1 661 62 62 VAL HA H 4.380 0.020 1 662 62 62 VAL HB H 1.317 0.020 1 663 62 62 VAL HG1 H 0.360 0.020 2 664 62 62 VAL HG2 H 0.038 0.020 2 665 62 62 VAL C C 174.529 0.3 1 666 62 62 VAL CA C 61.319 0.3 1 667 62 62 VAL CB C 35.122 0.3 1 668 62 62 VAL CG1 C 20.587 0.3 1 669 62 62 VAL CG2 C 21.403 0.3 1 670 62 62 VAL N N 120.142 0.3 1 671 63 63 SER H H 7.785 0.020 1 672 63 63 SER HA H 5.282 0.020 1 673 63 63 SER HB2 H 3.705 0.020 2 674 63 63 SER HB3 H 3.650 0.020 2 675 63 63 SER C C 172.573 0.3 1 676 63 63 SER CA C 57.450 0.3 1 677 63 63 SER CB C 64.471 0.3 1 678 63 63 SER N N 121.543 0.3 1 679 64 64 PHE H H 8.976 0.020 1 680 64 64 PHE HA H 4.828 0.020 1 681 64 64 PHE HB2 H 3.459 0.020 2 682 64 64 PHE HB3 H 2.731 0.020 2 683 64 64 PHE HD1 H 7.032 0.020 1 684 64 64 PHE HD2 H 7.032 0.020 1 685 64 64 PHE HE1 H 7.052 0.020 1 686 64 64 PHE HE2 H 7.052 0.020 1 687 64 64 PHE C C 175.731 0.3 1 688 64 64 PHE CA C 58.134 0.3 1 689 64 64 PHE CB C 41.884 0.3 1 690 64 64 PHE CD1 C 131.216 0.3 1 691 64 64 PHE CD2 C 131.216 0.3 1 692 64 64 PHE CE1 C 129.615 0.3 1 693 64 64 PHE CE2 C 129.615 0.3 1 694 64 64 PHE N N 122.569 0.3 1 695 65 65 ASP H H 8.448 0.020 1 696 65 65 ASP HA H 4.412 0.020 1 697 65 65 ASP HB2 H 2.605 0.020 2 698 65 65 ASP HB3 H 2.396 0.020 2 699 65 65 ASP C C 175.816 0.3 1 700 65 65 ASP CA C 57.344 0.3 1 701 65 65 ASP CB C 42.141 0.3 1 702 65 65 ASP N N 120.388 0.3 1 703 66 66 ASP H H 8.583 0.020 1 704 66 66 ASP HA H 5.415 0.020 1 705 66 66 ASP HB2 H 2.839 0.020 2 706 66 66 ASP HB3 H 2.723 0.020 2 707 66 66 ASP C C 177.529 0.3 1 708 66 66 ASP CA C 50.589 0.3 1 709 66 66 ASP CB C 42.780 0.3 1 710 66 66 ASP N N 117.395 0.3 1 711 67 67 PRO HA H 4.152 0.020 1 712 67 67 PRO HG2 H 2.374 0.020 2 713 67 67 PRO HG3 H 1.979 0.020 2 714 67 67 PRO HD2 H 4.324 0.020 2 715 67 67 PRO HD3 H 3.912 0.020 2 716 67 67 PRO CA C 68.031 0.3 1 717 67 67 PRO CG C 28.231 0.3 1 718 67 67 PRO CD C 51.130 0.3 1 719 68 68 PRO HA H 4.426 0.020 1 720 68 68 PRO HB2 H 2.399 0.020 1 721 68 68 PRO HB3 H 2.399 0.020 1 722 68 68 PRO HG2 H 2.115 0.020 2 723 68 68 PRO HG3 H 1.985 0.020 2 724 68 68 PRO HD2 H 3.687 0.020 2 725 68 68 PRO HD3 H 3.457 0.020 2 726 68 68 PRO C C 178.879 0.3 1 727 68 68 PRO CA C 66.205 0.3 1 728 68 68 PRO CB C 31.017 0.3 1 729 68 68 PRO CG C 28.316 0.3 1 730 68 68 PRO CD C 50.584 0.3 1 731 69 69 SER H H 8.116 0.020 1 732 69 69 SER HA H 4.005 0.020 1 733 69 69 SER HB2 H 3.840 0.020 2 734 69 69 SER HB3 H 2.971 0.020 2 735 69 69 SER C C 174.057 0.3 1 736 69 69 SER CA C 61.805 0.3 1 737 69 69 SER CB C 62.778 0.3 1 738 69 69 SER N N 114.612 0.3 1 739 70 70 ALA H H 7.513 0.020 1 740 70 70 ALA HA H 3.637 0.020 1 741 70 70 ALA HB H 1.615 0.020 1 742 70 70 ALA C C 177.710 0.3 1 743 70 70 ALA CA C 55.066 0.3 1 744 70 70 ALA CB C 17.862 0.3 1 745 70 70 ALA N N 122.442 0.3 1 746 71 71 LYS H H 7.130 0.020 1 747 71 71 LYS HA H 3.799 0.020 1 748 71 71 LYS HB2 H 2.124 0.020 2 749 71 71 LYS HB3 H 1.980 0.020 2 750 71 71 LYS HG2 H 1.572 0.020 1 751 71 71 LYS HG3 H 1.572 0.020 1 752 71 71 LYS HD2 H 1.723 0.020 1 753 71 71 LYS HD3 H 1.723 0.020 1 754 71 71 LYS HE2 H 3.136 0.020 1 755 71 71 LYS HE3 H 3.136 0.020 1 756 71 71 LYS C C 177.969 0.3 1 757 71 71 LYS CA C 58.932 0.3 1 758 71 71 LYS CB C 32.729 0.3 1 759 71 71 LYS CG C 25.057 0.3 1 760 71 71 LYS CD C 28.727 0.3 1 761 71 71 LYS CE C 42.402 0.3 1 762 71 71 LYS N N 116.223 0.3 1 763 72 72 ALA H H 7.854 0.020 1 764 72 72 ALA HA H 4.156 0.020 1 765 72 72 ALA HB H 1.380 0.020 1 766 72 72 ALA C C 179.619 0.3 1 767 72 72 ALA CA C 54.774 0.3 1 768 72 72 ALA CB C 17.758 0.3 1 769 72 72 ALA N N 119.877 0.3 1 770 73 73 ALA H H 8.114 0.020 1 771 73 73 ALA HA H 4.211 0.020 1 772 73 73 ALA HB H 1.670 0.020 1 773 73 73 ALA C C 179.454 0.3 1 774 73 73 ALA CA C 55.412 0.3 1 775 73 73 ALA CB C 18.999 0.3 1 776 73 73 ALA N N 120.203 0.3 1 777 74 74 ILE H H 7.528 0.020 1 778 74 74 ILE HA H 3.396 0.020 1 779 74 74 ILE HB H 1.734 0.020 1 780 74 74 ILE HG12 H 0.357 0.020 1 781 74 74 ILE HG13 H 0.357 0.020 1 782 74 74 ILE HG2 H 0.866 0.020 1 783 74 74 ILE HD1 H -0.176 0.020 1 784 74 74 ILE C C 178.064 0.3 1 785 74 74 ILE CA C 65.826 0.3 1 786 74 74 ILE CB C 38.840 0.3 1 787 74 74 ILE CG1 C 29.239 0.3 1 788 74 74 ILE CG2 C 16.888 0.3 1 789 74 74 ILE CD1 C 13.256 0.3 1 790 74 74 ILE N N 119.625 0.3 1 791 75 75 ASP H H 8.087 0.020 1 792 75 75 ASP HA H 4.289 0.020 1 793 75 75 ASP HB2 H 2.707 0.020 2 794 75 75 ASP HB3 H 2.591 0.020 2 795 75 75 ASP C C 178.276 0.3 1 796 75 75 ASP CA C 57.117 0.3 1 797 75 75 ASP CB C 40.428 0.3 1 798 75 75 ASP N N 118.239 0.3 1 799 76 76 TRP H H 8.586 0.020 1 800 76 76 TRP HA H 4.357 0.020 1 801 76 76 TRP HB2 H 2.979 0.020 2 802 76 76 TRP HB3 H 2.432 0.020 2 803 76 76 TRP HD1 H 7.144 0.020 1 804 76 76 TRP HE1 H 9.863 0.020 1 805 76 76 TRP HE3 H 7.368 0.020 1 806 76 76 TRP HZ2 H 7.354 0.020 1 807 76 76 TRP HZ3 H 7.036 0.020 1 808 76 76 TRP HH2 H 5.631 0.020 1 809 76 76 TRP C C 177.380 0.3 1 810 76 76 TRP CA C 59.338 0.3 1 811 76 76 TRP CB C 30.440 0.3 1 812 76 76 TRP CD1 C 124.429 0.3 1 813 76 76 TRP CE3 C 120.787 0.3 1 814 76 76 TRP CZ2 C 114.305 0.3 1 815 76 76 TRP CZ3 C 121.614 0.3 1 816 76 76 TRP CH2 C 126.707 0.3 1 817 76 76 TRP N N 117.050 0.3 1 818 76 76 TRP NE1 N 128.101 0.3 1 819 77 77 PHE H H 8.358 0.020 1 820 77 77 PHE HA H 4.783 0.020 1 821 77 77 PHE HB2 H 3.441 0.020 1 822 77 77 PHE HB3 H 3.441 0.020 1 823 77 77 PHE HD1 H 6.933 0.020 1 824 77 77 PHE HD2 H 6.933 0.020 1 825 77 77 PHE HE1 H 7.349 0.020 1 826 77 77 PHE HE2 H 7.349 0.020 1 827 77 77 PHE HZ H 6.823 0.020 1 828 77 77 PHE C C 176.390 0.3 1 829 77 77 PHE CA C 59.229 0.3 1 830 77 77 PHE CB C 40.852 0.3 1 831 77 77 PHE CD1 C 131.118 0.3 1 832 77 77 PHE CD2 C 131.118 0.3 1 833 77 77 PHE CE1 C 130.929 0.3 1 834 77 77 PHE CE2 C 130.929 0.3 1 835 77 77 PHE CZ C 128.324 0.3 1 836 77 77 PHE N N 112.215 0.3 1 837 78 78 ASP H H 8.081 0.020 1 838 78 78 ASP HA H 4.475 0.020 1 839 78 78 ASP HB2 H 3.222 0.020 2 840 78 78 ASP HB3 H 2.773 0.020 2 841 78 78 ASP C C 178.229 0.3 1 842 78 78 ASP CA C 58.514 0.3 1 843 78 78 ASP CB C 42.072 0.3 1 844 78 78 ASP N N 118.386 0.3 1 845 79 79 GLY H H 8.843 0.020 1 846 79 79 GLY HA2 H 4.208 0.020 2 847 79 79 GLY HA3 H 3.784 0.020 2 848 79 79 GLY C C 174.270 0.3 1 849 79 79 GLY CA C 46.231 0.3 1 850 79 79 GLY N N 115.738 0.3 1 851 80 80 LYS H H 7.902 0.020 1 852 80 80 LYS HA H 4.573 0.020 1 853 80 80 LYS HB2 H 2.184 0.020 1 854 80 80 LYS HB3 H 2.184 0.020 1 855 80 80 LYS HG2 H 1.283 0.020 1 856 80 80 LYS HG3 H 1.283 0.020 1 857 80 80 LYS HD2 H 1.586 0.020 1 858 80 80 LYS HD3 H 1.586 0.020 1 859 80 80 LYS HE2 H 2.598 0.020 1 860 80 80 LYS HE3 H 2.598 0.020 1 861 80 80 LYS C C 174.205 0.3 1 862 80 80 LYS CA C 54.477 0.3 1 863 80 80 LYS CB C 32.833 0.3 1 864 80 80 LYS CG C 26.141 0.3 1 865 80 80 LYS CD C 28.014 0.3 1 866 80 80 LYS CE C 42.460 0.3 1 867 80 80 LYS N N 119.722 0.3 1 868 81 81 GLU H H 8.058 0.020 1 869 81 81 GLU HA H 4.829 0.020 1 870 81 81 GLU HB2 H 1.895 0.020 1 871 81 81 GLU HB3 H 1.895 0.020 1 872 81 81 GLU HG2 H 2.169 0.020 1 873 81 81 GLU HG3 H 2.169 0.020 1 874 81 81 GLU C C 175.980 0.3 1 875 81 81 GLU CA C 55.859 0.3 1 876 81 81 GLU CB C 31.848 0.3 1 877 81 81 GLU CG C 36.469 0.3 1 878 81 81 GLU N N 116.650 0.3 1 879 82 82 PHE H H 9.412 0.020 1 880 82 82 PHE HA H 4.365 0.020 1 881 82 82 PHE HB2 H 2.730 0.020 2 882 82 82 PHE HB3 H 2.109 0.020 2 883 82 82 PHE HD1 H 6.202 0.020 1 884 82 82 PHE HD2 H 6.202 0.020 1 885 82 82 PHE HE1 H 6.853 0.020 1 886 82 82 PHE HE2 H 6.853 0.020 1 887 82 82 PHE HZ H 6.695 0.020 1 888 82 82 PHE C C 174.524 0.3 1 889 82 82 PHE CA C 56.289 0.3 1 890 82 82 PHE CB C 41.692 0.3 1 891 82 82 PHE CD1 C 132.671 0.3 1 892 82 82 PHE CD2 C 132.671 0.3 1 893 82 82 PHE CE1 C 130.272 0.3 1 894 82 82 PHE CE2 C 130.272 0.3 1 895 82 82 PHE CZ C 128.145 0.3 1 896 82 82 PHE N N 125.017 0.3 1 897 83 83 HIS H H 9.222 0.020 1 898 83 83 HIS HA H 3.912 0.020 1 899 83 83 HIS HB2 H 3.178 0.020 2 900 83 83 HIS HB3 H 2.682 0.020 2 901 83 83 HIS HD2 H 5.412 0.020 1 902 83 83 HIS HE1 H 8.419 0.020 1 903 83 83 HIS C C 174.618 0.3 1 904 83 83 HIS CA C 55.875 0.3 1 905 83 83 HIS CB C 26.756 0.3 1 906 83 83 HIS CD2 C 118.171 0.3 1 907 83 83 HIS CE1 C 135.798 0.3 1 908 83 83 HIS N N 125.633 0.3 1 909 84 84 GLY H H 8.578 0.020 1 910 84 84 GLY HA2 H 4.178 0.020 2 911 84 84 GLY HA3 H 3.604 0.020 2 912 84 84 GLY C C 173.231 0.3 1 913 84 84 GLY CA C 45.373 0.3 1 914 84 84 GLY N N 103.092 0.3 1 915 85 85 ASN H H 7.812 0.020 1 916 85 85 ASN HA H 5.025 0.020 1 917 85 85 ASN HB2 H 3.009 0.020 2 918 85 85 ASN HB3 H 2.911 0.020 2 919 85 85 ASN HD21 H 7.981 0.020 1 920 85 85 ASN HD22 H 7.286 0.020 1 921 85 85 ASN C C 173.787 0.3 1 922 85 85 ASN CA C 51.657 0.3 1 923 85 85 ASN CB C 41.428 0.3 1 924 85 85 ASN N N 119.384 0.3 1 925 85 85 ASN ND2 N 113.193 0.3 1 926 86 86 ILE H H 8.675 0.020 1 927 86 86 ILE HA H 4.312 0.020 1 928 86 86 ILE HB H 1.840 0.020 1 929 86 86 ILE HG12 H 1.522 0.020 2 930 86 86 ILE HG13 H 1.290 0.020 2 931 86 86 ILE HG2 H 0.793 0.020 1 932 86 86 ILE HD1 H 0.749 0.020 1 933 86 86 ILE C C 176.736 0.3 1 934 86 86 ILE CA C 60.614 0.3 1 935 86 86 ILE CB C 36.594 0.3 1 936 86 86 ILE CG1 C 27.378 0.3 1 937 86 86 ILE CG2 C 17.251 0.3 1 938 86 86 ILE CD1 C 11.079 0.3 1 939 86 86 ILE N N 123.379 0.3 1 940 87 87 ILE H H 8.481 0.020 1 941 87 87 ILE HA H 5.120 0.020 1 942 87 87 ILE HB H 1.809 0.020 1 943 87 87 ILE HG12 H 1.407 0.020 1 944 87 87 ILE HG13 H 1.407 0.020 1 945 87 87 ILE HG2 H 0.675 0.020 1 946 87 87 ILE HD1 H 0.731 0.020 1 947 87 87 ILE C C 175.362 0.3 1 948 87 87 ILE CA C 59.635 0.3 1 949 87 87 ILE CB C 41.004 0.3 1 950 87 87 ILE CG1 C 24.658 0.3 1 951 87 87 ILE CG2 C 18.415 0.3 1 952 87 87 ILE CD1 C 14.952 0.3 1 953 87 87 ILE N N 122.166 0.3 1 954 88 88 LYS H H 8.351 0.020 1 955 88 88 LYS HA H 5.199 0.020 1 956 88 88 LYS HB2 H 1.807 0.020 2 957 88 88 LYS HB3 H 1.563 0.020 2 958 88 88 LYS HG2 H 1.538 0.020 1 959 88 88 LYS HG3 H 1.538 0.020 1 960 88 88 LYS HD2 H 1.689 0.020 1 961 88 88 LYS HD3 H 1.689 0.020 1 962 88 88 LYS HE2 H 2.953 0.020 1 963 88 88 LYS HE3 H 2.953 0.020 1 964 88 88 LYS C C 176.049 0.3 1 965 88 88 LYS CA C 53.958 0.3 1 966 88 88 LYS CB C 34.964 0.3 1 967 88 88 LYS CG C 24.298 0.3 1 968 88 88 LYS CD C 28.799 0.3 1 969 88 88 LYS CE C 41.939 0.3 1 970 88 88 LYS N N 121.695 0.3 1 971 89 89 VAL H H 9.548 0.020 1 972 89 89 VAL HA H 4.966 0.020 1 973 89 89 VAL HB H 1.947 0.020 1 974 89 89 VAL HG1 H 0.975 0.020 2 975 89 89 VAL HG2 H 1.102 0.020 2 976 89 89 VAL C C 173.174 0.3 1 977 89 89 VAL CA C 61.266 0.3 1 978 89 89 VAL CB C 34.783 0.3 1 979 89 89 VAL CG1 C 24.203 0.3 1 980 89 89 VAL CG2 C 22.318 0.3 1 981 89 89 VAL N N 125.972 0.3 1 982 90 90 SER H H 8.931 0.020 1 983 90 90 SER HA H 4.705 0.020 1 984 90 90 SER HB2 H 4.105 0.020 2 985 90 90 SER HB3 H 3.968 0.020 2 986 90 90 SER C C 173.918 0.3 1 987 90 90 SER CA C 56.735 0.3 1 988 90 90 SER CB C 66.431 0.3 1 989 90 90 SER N N 119.623 0.3 1 990 91 91 PHE H H 8.933 0.020 1 991 91 91 PHE HA H 4.798 0.020 1 992 91 91 PHE HB2 H 3.201 0.020 2 993 91 91 PHE HB3 H 2.891 0.020 2 994 91 91 PHE HD1 H 7.351 0.020 1 995 91 91 PHE HD2 H 7.351 0.020 1 996 91 91 PHE HE1 H 6.846 0.020 1 997 91 91 PHE HE2 H 6.846 0.020 1 998 91 91 PHE HZ H 7.188 0.020 1 999 91 91 PHE C C 176.967 0.3 1 1000 91 91 PHE CA C 60.642 0.3 1 1001 91 91 PHE CB C 39.426 0.3 1 1002 91 91 PHE CD1 C 131.515 0.3 1 1003 91 91 PHE CD2 C 131.515 0.3 1 1004 91 91 PHE CE1 C 130.552 0.3 1 1005 91 91 PHE CE2 C 130.552 0.3 1 1006 91 91 PHE CZ C 129.420 0.3 1 1007 91 91 PHE N N 119.951 0.3 1 1008 92 92 ALA H H 8.563 0.020 1 1009 92 92 ALA HA H 4.374 0.020 1 1010 92 92 ALA HB H 1.276 0.020 1 1011 92 92 ALA C C 177.292 0.3 1 1012 92 92 ALA CA C 51.976 0.3 1 1013 92 92 ALA CB C 19.619 0.3 1 1014 92 92 ALA N N 124.430 0.3 1 1015 93 93 THR H H 8.333 0.020 1 1016 93 93 THR HA H 4.242 0.020 1 1017 93 93 THR HB H 4.133 0.020 1 1018 93 93 THR HG2 H 1.156 0.020 1 1019 93 93 THR C C 174.324 0.3 1 1020 93 93 THR CA C 61.945 0.3 1 1021 93 93 THR CB C 69.692 0.3 1 1022 93 93 THR CG2 C 21.643 0.3 1 1023 93 93 THR N N 115.093 0.3 1 1024 94 94 ARG H H 8.177 0.020 1 1025 94 94 ARG HA H 4.337 0.020 1 1026 94 94 ARG HB2 H 1.687 0.020 1 1027 94 94 ARG HB3 H 1.687 0.020 1 1028 94 94 ARG HG2 H 1.556 0.020 1 1029 94 94 ARG HG3 H 1.556 0.020 1 1030 94 94 ARG HD2 H 3.119 0.020 1 1031 94 94 ARG HD3 H 3.119 0.020 1 1032 94 94 ARG C C 175.699 0.3 1 1033 94 94 ARG CA C 55.760 0.3 1 1034 94 94 ARG CB C 30.990 0.3 1 1035 94 94 ARG CG C 26.877 0.3 1 1036 94 94 ARG CD C 43.321 0.3 1 1037 94 94 ARG N N 123.290 0.3 1 1038 95 95 ARG H H 8.524 0.020 1 1039 95 95 ARG C C 174.218 0.3 1 1040 95 95 ARG CA C 53.920 0.3 1 1041 95 95 ARG CB C 30.156 0.3 1 1042 95 95 ARG N N 124.572 0.3 1 1043 96 96 PRO HA H 4.375 0.020 1 1044 96 96 PRO HB2 H 2.207 0.020 1 1045 96 96 PRO HB3 H 2.207 0.020 1 1046 96 96 PRO HG2 H 1.975 0.020 2 1047 96 96 PRO HG3 H 1.914 0.020 2 1048 96 96 PRO HD2 H 3.744 0.020 2 1049 96 96 PRO HD3 H 3.593 0.020 2 1050 96 96 PRO C C 175.873 0.3 1 1051 96 96 PRO CA C 63.289 0.3 1 1052 96 96 PRO CB C 31.847 0.3 1 1053 96 96 PRO CG C 27.378 0.3 1 1054 96 96 PRO CD C 50.625 0.3 1 1055 97 97 GLU H H 8.020 0.020 1 1056 97 97 GLU C C 181.036 0.3 1 1057 97 97 GLU CA C 57.965 0.3 1 1058 97 97 GLU CB C 31.251 0.3 1 1059 97 97 GLU N N 126.318 0.3 1 stop_ save_