data_18846 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SUP-12 + GGUGUGC ; _BMRB_accession_number 18846 _BMRB_flat_file_name bmr18846.str _Entry_type original _Submission_date 2012-11-19 _Accession_date 2012-11-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'RRM domain from C. elegans SUP-12 bound to GGUGUGC RNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amrane Samir . . 2 Mackereth Cameron D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 570 "13C chemical shifts" 430 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18845 SUP-12 stop_ _Original_release_date 2013-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Protein chemical shift assignments of the unbound and RNA-bound forms of the alternative splicing factor SUP-12 from C. elegans.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23334698 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amrane Samir . . 2 Mackereth Cameron D. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _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 2013 _Details . loop_ _Keyword 'alternative splicing' nematode muscle RRM RNA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SUP-12 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SUP-12 $SUP-12 RNA $GGUGUGC stop_ _System_molecular_weight 13051.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SUP-12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SUP-12 _Molecular_mass 10815.1 _Mol_thiol_state 'all free' loop_ _Biological_function 'Alternative splicing factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GAMGSRDTMFTKIFVGGLPY HTSDKTLHEYFEQFGDIEEA VVITDRNTQKSRGYGFVTMK DRASAERACKDPNPIIDGRK ANVNLAYLGAKPRTNVQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 25 GLY 2 26 ALA 3 27 MET 4 28 GLY 5 29 SER 6 30 ARG 7 31 ASP 8 32 THR 9 33 MET 10 34 PHE 11 35 THR 12 36 LYS 13 37 ILE 14 38 PHE 15 39 VAL 16 40 GLY 17 41 GLY 18 42 LEU 19 43 PRO 20 44 TYR 21 45 HIS 22 46 THR 23 47 SER 24 48 ASP 25 49 LYS 26 50 THR 27 51 LEU 28 52 HIS 29 53 GLU 30 54 TYR 31 55 PHE 32 56 GLU 33 57 GLN 34 58 PHE 35 59 GLY 36 60 ASP 37 61 ILE 38 62 GLU 39 63 GLU 40 64 ALA 41 65 VAL 42 66 VAL 43 67 ILE 44 68 THR 45 69 ASP 46 70 ARG 47 71 ASN 48 72 THR 49 73 GLN 50 74 LYS 51 75 SER 52 76 ARG 53 77 GLY 54 78 TYR 55 79 GLY 56 80 PHE 57 81 VAL 58 82 THR 59 83 MET 60 84 LYS 61 85 ASP 62 86 ARG 63 87 ALA 64 88 SER 65 89 ALA 66 90 GLU 67 91 ARG 68 92 ALA 69 93 CYS 70 94 LYS 71 95 ASP 72 96 PRO 73 97 ASN 74 98 PRO 75 99 ILE 76 100 ILE 77 101 ASP 78 102 GLY 79 103 ARG 80 104 LYS 81 105 ALA 82 106 ASN 83 107 VAL 84 108 ASN 85 109 LEU 86 110 ALA 87 111 TYR 88 112 LEU 89 113 GLY 90 114 ALA 91 115 LYS 92 116 PRO 93 117 ARG 94 118 THR 95 119 ASN 96 120 VAL 97 121 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 11541 entity_1 97.94 103 98.95 100.00 3.05e-63 BMRB 18845 SUP-12 100.00 97 100.00 100.00 2.21e-65 BMRB 19653 PROTEIN_SUP-12_ISOFORM_B 100.00 97 100.00 100.00 2.21e-65 PDB 2MGZ "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" 97.94 105 98.95 100.00 2.78e-63 PDB 2RU3 "Solution Structure Of C.elegans Sup-12 Rrm In Complex With Rna" 97.94 103 98.95 100.00 3.05e-63 PDB 4CH0 "Rrm Domain From C. Elegans Sup-12" 100.00 97 100.00 100.00 2.21e-65 PDB 4CH1 "Rrm Domain From C. Elegans Sup-12 Bound To Ggtgtgc Dna" 100.00 97 100.00 100.00 2.21e-65 PDB 4CIO "Rrm Domain From C. Elegans Sup-12 Bound To Ggugugc Rna" 100.00 97 100.00 100.00 2.21e-65 EMBL CCD71425 "SUPpressor [Caenorhabditis elegans]" 97.94 248 98.95 100.00 2.23e-63 EMBL CCD71429 "SUPpressor [Caenorhabditis elegans]" 97.94 151 98.95 100.00 1.09e-63 GB KIH66793 "hypothetical protein ANCDUO_02881 [Ancylostoma duodenale]" 91.75 170 97.75 98.88 2.90e-57 REF NP_001129938 "SUPpressor [Caenorhabditis elegans]" 97.94 151 98.95 100.00 1.09e-63 REF NP_508674 "SUPpressor [Caenorhabditis elegans]" 97.94 248 98.95 100.00 2.23e-63 stop_ save_ save_GGUGUGC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common GGUGUGC _Molecular_mass 2236.4 _Mol_thiol_state 'not present' _Details . _Residue_count 7 _Mol_residue_sequence GGUGUGC loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 U 4 4 G 5 5 U 6 6 G 7 7 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $SUP-12 Nematode 6239 Eukaryota Metazoa Caenorhabditis elegans sup-12 $GGUGUGC Nematode 6239 Eukaryota Metazoa Caenorhabditis elegans egl-15 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 $SUP-12 'recombinant technology' . . . pLysY pET-His1a $GGUGUGC 'chemical synthesis' . . . . . 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 $SUP-12 0.2 mM '[U-99% 13C; U-99% 15N]' $GGUGUGC 0.24 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SUP-12 0.4 mM '[U-99% 13C; U-99% 15N]' $GGUGUGC 0.42 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SUP-12 50 uM '[U-10% 13C; U-99% 15N]' $GGUGUGC 75 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' D2O 100 % '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 collection processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details '5 mm PATXI 1H-13C/15N/D Z-GRD' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details '5 mm CPTXI 1H-13C/15N/D Z-GRD' 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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_CBHD_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBHD' _Sample_label $sample_2 save_ save_3D_CBHE_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBHE' _Sample_label $sample_2 save_ save_3D_HCACO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_H(C)CH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_CT_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC CT' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 320 . mM 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 water H 1 protons ppm 4.802 internal direct . . . 1 DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY' '3D CBHD' '3D CBHE' '3D HCACO' '3D H(C)CH-TOCSY' '3D (H)CCH-TOCSY' '2D 1H-13C HSQC CT' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SUP-12 _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 25 1 GLY HA2 H 3.858 0.02 2 2 25 1 GLY HA3 H 3.858 0.02 2 3 25 1 GLY CA C 43.129 0.2 1 4 26 2 ALA HA H 4.335 0.02 1 5 26 2 ALA HB H 1.38 0.02 1 6 26 2 ALA C C 177.861 0.2 1 7 26 2 ALA CA C 52.556 0.2 1 8 26 2 ALA CB C 19.247 0.2 1 9 27 3 MET H H 8.566 0.02 1 10 27 3 MET HA H 4.455 0.02 1 11 27 3 MET HB2 H 2.096 0.02 2 12 27 3 MET HB3 H 2.032 0.02 2 13 27 3 MET HG2 H 2.536 0.02 2 14 27 3 MET HG3 H 2.608 0.02 2 15 27 3 MET HE H 2.069 0.02 1 16 27 3 MET C C 176.632 0.2 1 17 27 3 MET CA C 55.698 0.2 1 18 27 3 MET CB C 32.838 0.2 1 19 27 3 MET CG C 32.041 0.2 1 20 27 3 MET CE C 16.897 0.2 1 21 27 3 MET N N 119.982 0.2 1 22 28 4 GLY H H 8.453 0.02 1 23 28 4 GLY HA2 H 3.984 0.02 2 24 28 4 GLY HA3 H 3.984 0.02 2 25 28 4 GLY C C 174.1 0.2 1 26 28 4 GLY CA C 45.265 0.2 1 27 28 4 GLY N N 110.71 0.2 1 28 29 5 SER H H 8.261 0.02 1 29 29 5 SER HA H 4.43 0.02 1 30 29 5 SER HB2 H 3.861 0.02 2 31 29 5 SER HB3 H 3.888 0.02 2 32 29 5 SER C C 174.7 0.2 1 33 29 5 SER CA C 58.264 0.2 1 34 29 5 SER CB C 63.705 0.2 1 35 29 5 SER N N 116.004 0.2 1 36 30 6 ARG H H 8.438 0.02 1 37 30 6 ARG HA H 4.306 0.02 1 38 30 6 ARG HB2 H 1.789 0.02 2 39 30 6 ARG HB3 H 1.881 0.02 2 40 30 6 ARG HG2 H 1.664 0.02 2 41 30 6 ARG HG3 H 1.613 0.02 2 42 30 6 ARG HD2 H 3.206 0.02 1 43 30 6 ARG HD3 H 3.206 0.02 1 44 30 6 ARG C C 176.047 0.2 1 45 30 6 ARG CA C 56.326 0.2 1 46 30 6 ARG CB C 30.481 0.2 1 47 30 6 ARG CG C 27.087 0.2 1 48 30 6 ARG CD C 43.197 0.2 1 49 30 6 ARG N N 123.046 0.2 1 50 31 7 ASP H H 8.427 0.02 1 51 31 7 ASP HA H 4.665 0.02 1 52 31 7 ASP HB2 H 2.829 0.02 2 53 31 7 ASP HB3 H 2.662 0.02 2 54 31 7 ASP C C 177.387 0.2 1 55 31 7 ASP CA C 54.77 0.2 1 56 31 7 ASP CB C 40.945 0.2 1 57 31 7 ASP N N 121.519 0.2 1 58 32 8 THR H H 8.116 0.02 1 59 32 8 THR HA H 4.677 0.02 1 60 32 8 THR HB H 4.64 0.02 1 61 32 8 THR HG2 H 1.096 0.02 1 62 32 8 THR C C 175.473 0.2 1 63 32 8 THR CA C 60.948 0.2 1 64 32 8 THR CB C 68.83 0.2 1 65 32 8 THR CG2 C 21.05 0.2 1 66 32 8 THR N N 113.209 0.2 1 67 33 9 MET H H 8.063 0.02 1 68 33 9 MET HA H 3.756 0.02 1 69 33 9 MET HB2 H 1.8 0.02 2 70 33 9 MET HB3 H 1.286 0.02 2 71 33 9 MET HG2 H 1.274 0.02 2 72 33 9 MET HG3 H 0.91 0.02 2 73 33 9 MET HE H 1.493 0.02 1 74 33 9 MET C C 177.009 0.2 1 75 33 9 MET CA C 60.172 0.2 1 76 33 9 MET CB C 32.787 0.2 1 77 33 9 MET CG C 30.874 0.2 1 78 33 9 MET CE C 16.547 0.2 1 79 33 9 MET N N 124.022 0.2 1 80 34 10 PHE H H 8.466 0.02 1 81 34 10 PHE HA H 4.979 0.02 1 82 34 10 PHE HB2 H 3.546 0.02 2 83 34 10 PHE HB3 H 2.754 0.02 2 84 34 10 PHE HD1 H 7.251 0.02 1 85 34 10 PHE HD2 H 7.251 0.02 1 86 34 10 PHE HE1 H 7.27 0.02 1 87 34 10 PHE HE2 H 7.27 0.02 1 88 34 10 PHE HZ H 7.25 0.02 1 89 34 10 PHE C C 174.448 0.2 1 90 34 10 PHE CA C 57.93 0.2 1 91 34 10 PHE CB C 39.102 0.2 1 92 34 10 PHE CD1 C 129.592 0.2 1 93 34 10 PHE CD2 C 129.592 0.2 1 94 34 10 PHE CE1 C 131.9 0.2 1 95 34 10 PHE CE2 C 131.9 0.2 1 96 34 10 PHE CZ C 129.4 0.2 1 97 34 10 PHE N N 111.217 0.2 1 98 35 11 THR H H 7.444 0.02 1 99 35 11 THR HA H 4.421 0.02 1 100 35 11 THR HB H 4.6 0.02 1 101 35 11 THR HG2 H 0.82 0.02 1 102 35 11 THR C C 173.81 0.2 1 103 35 11 THR CA C 61.308 0.2 1 104 35 11 THR CB C 69.819 0.2 1 105 35 11 THR CG2 C 22.287 0.2 1 106 35 11 THR N N 105.178 0.2 1 107 36 12 LYS H H 7.943 0.02 1 108 36 12 LYS HA H 4.988 0.02 1 109 36 12 LYS HB2 H 2.084 0.02 2 110 36 12 LYS HB3 H 1.794 0.02 2 111 36 12 LYS HG2 H 1 0.02 1 112 36 12 LYS HG3 H 1 0.02 1 113 36 12 LYS HD2 H 1.635 0.02 2 114 36 12 LYS HD3 H 1.545 0.02 2 115 36 12 LYS HE2 H 2.37 0.02 2 116 36 12 LYS HE3 H 2.847 0.02 2 117 36 12 LYS C C 174.945 0.2 1 118 36 12 LYS CA C 56.743 0.2 1 119 36 12 LYS CB C 33.998 0.2 1 120 36 12 LYS CG C 25.444 0.2 1 121 36 12 LYS CD C 30.009 0.2 1 122 36 12 LYS CE C 41.675 0.2 1 123 36 12 LYS N N 122.789 0.2 1 124 37 13 ILE H H 10.132 0.02 1 125 37 13 ILE HA H 4.224 0.02 1 126 37 13 ILE HB H 1.899 0.02 1 127 37 13 ILE HG12 H 0.573 0.02 2 128 37 13 ILE HG13 H 1.802 0.02 2 129 37 13 ILE HG2 H 0.689 0.02 1 130 37 13 ILE HD1 H 0.727 0.02 1 131 37 13 ILE C C 175.423 0.2 1 132 37 13 ILE CA C 61.831 0.2 1 133 37 13 ILE CB C 40.717 0.2 1 134 37 13 ILE CG1 C 28.186 0.2 1 135 37 13 ILE CG2 C 18.498 0.2 1 136 37 13 ILE CD1 C 15.764 0.2 1 137 37 13 ILE N N 133.81 0.2 1 138 38 14 PHE H H 9.278 0.02 1 139 38 14 PHE HA H 4.624 0.02 1 140 38 14 PHE HB2 H 2.69 0.02 2 141 38 14 PHE HB3 H 2.834 0.02 2 142 38 14 PHE HD1 H 6.665 0.02 1 143 38 14 PHE HD2 H 6.665 0.02 1 144 38 14 PHE HE1 H 6.616 0.02 1 145 38 14 PHE HE2 H 6.616 0.02 1 146 38 14 PHE HZ H 5.55 0.02 1 147 38 14 PHE C C 174.413 0.2 1 148 38 14 PHE CA C 57.542 0.2 1 149 38 14 PHE CB C 40.812 0.2 1 150 38 14 PHE CD1 C 131.067 0.2 1 151 38 14 PHE CD2 C 131.067 0.2 1 152 38 14 PHE CE1 C 131.2 0.2 1 153 38 14 PHE CE2 C 131.2 0.2 1 154 38 14 PHE CZ C 130.899 0.2 1 155 38 14 PHE N N 127.751 0.2 1 156 39 15 VAL H H 7.791 0.02 1 157 39 15 VAL HA H 4.336 0.02 1 158 39 15 VAL HB H 1.452 0.02 1 159 39 15 VAL HG1 H 0.666 0.02 1 160 39 15 VAL HG2 H 0.575 0.02 1 161 39 15 VAL C C 173.121 0.2 1 162 39 15 VAL CA C 58.557 0.2 1 163 39 15 VAL CB C 31.248 0.2 1 164 39 15 VAL CG1 C 21.636 0.2 1 165 39 15 VAL CG2 C 21.433 0.2 1 166 39 15 VAL N N 126.95 0.2 1 167 40 16 GLY H H 8.788 0.02 1 168 40 16 GLY HA2 H 4.09 0.02 2 169 40 16 GLY HA3 H 3.61 0.02 2 170 40 16 GLY C C 174.421 0.2 1 171 40 16 GLY CA C 43.393 0.2 1 172 40 16 GLY N N 112.873 0.2 1 173 41 17 GLY H H 8.36 0.02 1 174 41 17 GLY HA2 H 3.789 0.02 2 175 41 17 GLY HA3 H 3.981 0.02 2 176 41 17 GLY C C 174.596 0.2 1 177 41 17 GLY CA C 46.905 0.2 1 178 41 17 GLY N N 106.737 0.2 1 179 42 18 LEU H H 7.488 0.02 1 180 42 18 LEU HA H 4.287 0.02 1 181 42 18 LEU HB2 H 0.924 0.02 2 182 42 18 LEU HB3 H 1.12 0.02 2 183 42 18 LEU HG H 1.237 0.02 1 184 42 18 LEU HD1 H 0.435 0.02 1 185 42 18 LEU HD2 H 0.624 0.02 1 186 42 18 LEU C C 175.673 0.2 1 187 42 18 LEU CA C 52.243 0.2 1 188 42 18 LEU CB C 41.699 0.2 1 189 42 18 LEU CG C 26.387 0.2 1 190 42 18 LEU CD1 C 26.03 0.2 1 191 42 18 LEU CD2 C 23.053 0.2 1 192 42 18 LEU N N 117.218 0.2 1 193 43 19 PRO HA H 4.48 0.02 1 194 43 19 PRO HB2 H 1.622 0.02 2 195 43 19 PRO HB3 H 2.067 0.02 2 196 43 19 PRO HG2 H 1.804 0.02 2 197 43 19 PRO HG3 H 2.189 0.02 2 198 43 19 PRO HD2 H 3.784 0.02 2 199 43 19 PRO HD3 H 3.765 0.02 2 200 43 19 PRO C C 176.305 0.2 1 201 43 19 PRO CA C 63.201 0.2 1 202 43 19 PRO CB C 31.137 0.2 1 203 43 19 PRO CG C 28.168 0.2 1 204 43 19 PRO CD C 50.633 0.2 1 205 44 20 TYR H H 8.25 0.02 1 206 44 20 TYR HA H 4.124 0.02 1 207 44 20 TYR HB2 H 2.782 0.02 2 208 44 20 TYR HB3 H 3.287 0.02 2 209 44 20 TYR HD1 H 6.806 0.02 1 210 44 20 TYR HD2 H 6.806 0.02 1 211 44 20 TYR HE1 H 5.999 0.02 1 212 44 20 TYR HE2 H 5.999 0.02 1 213 44 20 TYR C C 174.667 0.2 1 214 44 20 TYR CA C 61.077 0.2 1 215 44 20 TYR CB C 37.003 0.2 1 216 44 20 TYR CD1 C 131.771 0.2 1 217 44 20 TYR CD2 C 131.771 0.2 1 218 44 20 TYR CE1 C 116.962 0.2 1 219 44 20 TYR CE2 C 116.962 0.2 1 220 44 20 TYR N N 121.733 0.2 1 221 45 21 HIS H H 7.482 0.02 1 222 45 21 HIS HA H 4.806 0.02 1 223 45 21 HIS HB2 H 3.445 0.02 2 224 45 21 HIS HB3 H 3.073 0.02 2 225 45 21 HIS HD2 H 7.154 0.02 1 226 45 21 HIS HE1 H 8.049 0.02 1 227 45 21 HIS C C 176.011 0.2 1 228 45 21 HIS CA C 55.68 0.2 1 229 45 21 HIS CB C 29.064 0.2 1 230 45 21 HIS CD2 C 119.52 0.2 1 231 45 21 HIS CE1 C 138.544 0.2 1 232 45 21 HIS N N 113.887 0.2 1 233 46 22 THR H H 7.194 0.02 1 234 46 22 THR HA H 4.036 0.02 1 235 46 22 THR HB H 3.685 0.02 1 236 46 22 THR HG2 H 1.144 0.02 1 237 46 22 THR C C 173.896 0.2 1 238 46 22 THR CA C 65.998 0.2 1 239 46 22 THR CB C 67.595 0.2 1 240 46 22 THR CG2 C 22.875 0.2 1 241 46 22 THR N N 123.625 0.2 1 242 47 23 SER H H 8.431 0.02 1 243 47 23 SER HA H 4.816 0.02 1 244 47 23 SER HB2 H 4.422 0.02 2 245 47 23 SER HB3 H 4.01 0.02 2 246 47 23 SER C C 174.224 0.2 1 247 47 23 SER CA C 55.705 0.2 1 248 47 23 SER CB C 67.55 0.2 1 249 47 23 SER N N 123.897 0.2 1 250 48 24 ASP H H 8.717 0.02 1 251 48 24 ASP HA H 4.072 0.02 1 252 48 24 ASP HB2 H 2.761 0.02 2 253 48 24 ASP HB3 H 2.983 0.02 2 254 48 24 ASP C C 177.831 0.2 1 255 48 24 ASP CA C 58.043 0.2 1 256 48 24 ASP CB C 39.999 0.2 1 257 48 24 ASP N N 119.765 0.2 1 258 49 25 LYS H H 7.967 0.02 1 259 49 25 LYS HA H 4.155 0.02 1 260 49 25 LYS HB2 H 1.816 0.02 2 261 49 25 LYS HB3 H 1.916 0.02 2 262 49 25 LYS HG2 H 1.38 0.02 2 263 49 25 LYS HG3 H 1.454 0.02 2 264 49 25 LYS HD2 H 1.721 0.02 1 265 49 25 LYS HD3 H 1.721 0.02 1 266 49 25 LYS HE2 H 3.014 0.02 2 267 49 25 LYS HE3 H 2.961 0.02 2 268 49 25 LYS C C 178.395 0.2 1 269 49 25 LYS CA C 59.472 0.2 1 270 49 25 LYS CB C 32.694 0.2 1 271 49 25 LYS CG C 24.56 0.2 1 272 49 25 LYS CD C 29.077 0.2 1 273 49 25 LYS CE C 41.895 0.2 1 274 49 25 LYS N N 118.78 0.2 1 275 50 26 THR H H 7.869 0.02 1 276 50 26 THR HA H 4.162 0.02 1 277 50 26 THR HB H 4.455 0.02 1 278 50 26 THR HG2 H 1.272 0.02 1 279 50 26 THR C C 177.696 0.2 1 280 50 26 THR CA C 66.02 0.2 1 281 50 26 THR CB C 67.417 0.2 1 282 50 26 THR CG2 C 22.746 0.2 1 283 50 26 THR N N 116.137 0.2 1 284 51 27 LEU H H 8.255 0.02 1 285 51 27 LEU HA H 4.14 0.02 1 286 51 27 LEU HB2 H 1.297 0.02 2 287 51 27 LEU HB3 H 1.945 0.02 2 288 51 27 LEU HG H 1.46 0.02 1 289 51 27 LEU HD1 H 0.545 0.02 1 290 51 27 LEU HD2 H 0.936 0.02 1 291 51 27 LEU C C 177.866 0.2 1 292 51 27 LEU CA C 58.216 0.2 1 293 51 27 LEU CB C 42.398 0.2 1 294 51 27 LEU CG C 26 0.2 1 295 51 27 LEU CD1 C 26.226 0.2 1 296 51 27 LEU CD2 C 24.889 0.2 1 297 51 27 LEU N N 124.158 0.2 1 298 52 28 HIS H H 8.57 0.02 1 299 52 28 HIS HA H 3.769 0.02 1 300 52 28 HIS HB2 H 3.576 0.02 1 301 52 28 HIS HB3 H 3.576 0.02 1 302 52 28 HIS HD2 H 7.316 0.02 1 303 52 28 HIS HE1 H 8.39 0.02 1 304 52 28 HIS C C 176.677 0.2 1 305 52 28 HIS CA C 60.625 0.2 1 306 52 28 HIS CB C 29.504 0.2 1 307 52 28 HIS CD2 C 119.543 0.2 1 308 52 28 HIS CE1 C 138.074 0.2 1 309 52 28 HIS N N 118.64 0.2 1 310 53 29 GLU H H 8.54 0.02 1 311 53 29 GLU HA H 4.082 0.02 1 312 53 29 GLU HB2 H 2.274 0.02 2 313 53 29 GLU HB3 H 2.081 0.02 2 314 53 29 GLU HG2 H 2.65 0.02 2 315 53 29 GLU HG3 H 2.34 0.02 2 316 53 29 GLU C C 178.506 0.2 1 317 53 29 GLU CA C 59.218 0.2 1 318 53 29 GLU CB C 29.667 0.2 1 319 53 29 GLU CG C 37.029 0.2 1 320 53 29 GLU N N 116.159 0.2 1 321 54 30 TYR H H 7.839 0.02 1 322 54 30 TYR HA H 4.093 0.02 1 323 54 30 TYR HB2 H 3.223 0.02 2 324 54 30 TYR HB3 H 2.896 0.02 2 325 54 30 TYR HD1 H 6.319 0.02 1 326 54 30 TYR HD2 H 6.319 0.02 1 327 54 30 TYR HE1 H 6.511 0.02 1 328 54 30 TYR HE2 H 6.511 0.02 1 329 54 30 TYR C C 177.103 0.2 1 330 54 30 TYR CA C 62.657 0.2 1 331 54 30 TYR CB C 37.858 0.2 1 332 54 30 TYR CD1 C 132.877 0.2 1 333 54 30 TYR CD2 C 132.877 0.2 1 334 54 30 TYR CE1 C 117.534 0.2 1 335 54 30 TYR CE2 C 117.534 0.2 1 336 54 30 TYR N N 117.816 0.2 1 337 55 31 PHE H H 7.806 0.02 1 338 55 31 PHE HA H 4.339 0.02 1 339 55 31 PHE HB2 H 3.257 0.02 2 340 55 31 PHE HB3 H 2.885 0.02 2 341 55 31 PHE HD1 H 7.814 0.02 1 342 55 31 PHE HD2 H 7.814 0.02 1 343 55 31 PHE HE1 H 7.34 0.02 1 344 55 31 PHE HE2 H 7.34 0.02 1 345 55 31 PHE HZ H 7.195 0.02 1 346 55 31 PHE C C 177.11 0.2 1 347 55 31 PHE CA C 62.056 0.2 1 348 55 31 PHE CB C 40.08 0.2 1 349 55 31 PHE CD1 C 132.341 0.2 1 350 55 31 PHE CD2 C 132.341 0.2 1 351 55 31 PHE CE1 C 131.402 0.2 1 352 55 31 PHE CE2 C 131.402 0.2 1 353 55 31 PHE CZ C 130.329 0.2 1 354 55 31 PHE N N 113.627 0.2 1 355 56 32 GLU H H 8.432 0.02 1 356 56 32 GLU HA H 4.431 0.02 1 357 56 32 GLU HB2 H 2.16 0.02 2 358 56 32 GLU HB3 H 2.072 0.02 2 359 56 32 GLU HG2 H 2.62 0.02 2 360 56 32 GLU HG3 H 2.429 0.02 2 361 56 32 GLU C C 177.139 0.2 1 362 56 32 GLU CA C 57.962 0.2 1 363 56 32 GLU CB C 28.728 0.2 1 364 56 32 GLU CG C 36.125 0.2 1 365 56 32 GLU N N 121.367 0.2 1 366 57 33 GLN H H 6.705 0.02 1 367 57 33 GLN HA H 4.083 0.02 1 368 57 33 GLN HB2 H 1.554 0.02 2 369 57 33 GLN HB3 H 1.554 0.02 2 370 57 33 GLN HG2 H 0.144 0.02 2 371 57 33 GLN HG3 H 1.5 0.02 2 372 57 33 GLN HE21 H 6.758 0.02 2 373 57 33 GLN HE22 H 6.045 0.02 2 374 57 33 GLN C C 175.834 0.2 1 375 57 33 GLN CA C 56.91 0.2 1 376 57 33 GLN CB C 28.45 0.2 1 377 57 33 GLN CG C 31.085 0.2 1 378 57 33 GLN N N 114.459 0.2 1 379 57 33 GLN NE2 N 112.518 0.2 1 380 58 34 PHE H H 7.646 0.02 1 381 58 34 PHE HA H 4.457 0.02 1 382 58 34 PHE HB2 H 3.674 0.02 2 383 58 34 PHE HB3 H 2.909 0.02 2 384 58 34 PHE HD1 H 7.369 0.02 1 385 58 34 PHE HD2 H 7.369 0.02 1 386 58 34 PHE HE1 H 7.021 0.02 1 387 58 34 PHE HE2 H 7.021 0.02 1 388 58 34 PHE HZ H 7.273 0.02 1 389 58 34 PHE C C 174.486 0.2 1 390 58 34 PHE CA C 58.661 0.2 1 391 58 34 PHE CB C 40.127 0.2 1 392 58 34 PHE CD1 C 131.838 0.2 1 393 58 34 PHE CD2 C 131.838 0.2 1 394 58 34 PHE CE1 C 132.173 0.2 1 395 58 34 PHE CE2 C 132.173 0.2 1 396 58 34 PHE CZ C 130.53 0.2 1 397 58 34 PHE N N 117.859 0.2 1 398 59 35 GLY H H 7.33 0.02 1 399 59 35 GLY HA2 H 3.852 0.02 2 400 59 35 GLY HA3 H 4.588 0.02 2 401 59 35 GLY C C 170.42 0.2 1 402 59 35 GLY CA C 44.285 0.2 1 403 59 35 GLY N N 105.908 0.2 1 404 60 36 ASP H H 8.22 0.02 1 405 60 36 ASP HA H 4.726 0.02 1 406 60 36 ASP HB2 H 2.61 0.02 2 407 60 36 ASP HB3 H 2.561 0.02 2 408 60 36 ASP C C 176.017 0.2 1 409 60 36 ASP CA C 54.721 0.2 1 410 60 36 ASP CB C 41.617 0.2 1 411 60 36 ASP N N 117.324 0.2 1 412 61 37 ILE H H 8.813 0.02 1 413 61 37 ILE HA H 4.13 0.02 1 414 61 37 ILE HB H 1.501 0.02 1 415 61 37 ILE HG12 H 0.943 0.02 2 416 61 37 ILE HG13 H 1.529 0.02 2 417 61 37 ILE HG2 H 0.618 0.02 1 418 61 37 ILE HD1 H 0.344 0.02 1 419 61 37 ILE C C 176.18 0.2 1 420 61 37 ILE CA C 61.3 0.2 1 421 61 37 ILE CB C 41.452 0.2 1 422 61 37 ILE CG1 C 27.179 0.2 1 423 61 37 ILE CG2 C 18.415 0.2 1 424 61 37 ILE CD1 C 14.484 0.2 1 425 61 37 ILE N N 124.156 0.2 1 426 62 38 GLU H H 9.164 0.02 1 427 62 38 GLU HA H 4.415 0.02 1 428 62 38 GLU HB2 H 1.783 0.02 2 429 62 38 GLU HB3 H 1.71 0.02 2 430 62 38 GLU HG2 H 2.113 0.02 1 431 62 38 GLU HG3 H 2.113 0.02 1 432 62 38 GLU C C 175.627 0.2 1 433 62 38 GLU CA C 57.696 0.2 1 434 62 38 GLU CB C 30.747 0.2 1 435 62 38 GLU CG C 35.452 0.2 1 436 62 38 GLU N N 128.45 0.2 1 437 63 39 GLU H H 7.604 0.02 1 438 63 39 GLU HA H 4.542 0.02 1 439 63 39 GLU HB2 H 2.112 0.02 2 440 63 39 GLU HB3 H 1.986 0.02 2 441 63 39 GLU HG2 H 2.015 0.02 2 442 63 39 GLU HG3 H 2.366 0.02 2 443 63 39 GLU C C 173.04 0.2 1 444 63 39 GLU CA C 55.804 0.2 1 445 63 39 GLU CB C 33.681 0.2 1 446 63 39 GLU CG C 37.082 0.2 1 447 63 39 GLU N N 118.647 0.2 1 448 64 40 ALA H H 8.937 0.02 1 449 64 40 ALA HA H 5.264 0.02 1 450 64 40 ALA HB H 1.328 0.02 1 451 64 40 ALA C C 174.059 0.2 1 452 64 40 ALA CA C 51.763 0.2 1 453 64 40 ALA CB C 20.606 0.2 1 454 64 40 ALA N N 130.555 0.2 1 455 65 41 VAL H H 8.892 0.02 1 456 65 41 VAL HA H 4.762 0.02 1 457 65 41 VAL HB H 1.951 0.02 1 458 65 41 VAL HG1 H 0.946 0.02 1 459 65 41 VAL HG2 H 0.959 0.02 1 460 65 41 VAL C C 172.099 0.2 1 461 65 41 VAL CA C 58.764 0.2 1 462 65 41 VAL CB C 36.191 0.2 1 463 65 41 VAL CG1 C 20.224 0.2 1 464 65 41 VAL CG2 C 20.979 0.2 1 465 65 41 VAL N N 120.093 0.2 1 466 66 42 VAL H H 8.453 0.02 1 467 66 42 VAL HA H 3.75 0.02 1 468 66 42 VAL HB H 1.855 0.02 1 469 66 42 VAL HG1 H 0.706 0.02 1 470 66 42 VAL HG2 H 0.582 0.02 1 471 66 42 VAL C C 176.285 0.2 1 472 66 42 VAL CA C 62.282 0.2 1 473 66 42 VAL CB C 33.228 0.2 1 474 66 42 VAL CG1 C 20.868 0.2 1 475 66 42 VAL CG2 C 22.165 0.2 1 476 66 42 VAL N N 125.381 0.2 1 477 67 43 ILE H H 8.264 0.02 1 478 67 43 ILE HA H 4.112 0.02 1 479 67 43 ILE HB H 0.967 0.02 1 480 67 43 ILE HG12 H 1.196 0.02 2 481 67 43 ILE HG13 H 1.473 0.02 2 482 67 43 ILE HG2 H 0.927 0.02 1 483 67 43 ILE HD1 H 0.807 0.02 1 484 67 43 ILE C C 174.566 0.2 1 485 67 43 ILE CA C 58.912 0.2 1 486 67 43 ILE CB C 33.809 0.2 1 487 67 43 ILE CG1 C 27.321 0.2 1 488 67 43 ILE CG2 C 17.428 0.2 1 489 67 43 ILE CD1 C 9.048 0.2 1 490 67 43 ILE N N 129.463 0.2 1 491 68 44 THR H H 7.941 0.02 1 492 68 44 THR HA H 4.816 0.02 1 493 68 44 THR HB H 3.698 0.02 1 494 68 44 THR HG2 H 0.992 0.02 1 495 68 44 THR C C 174.517 0.2 1 496 68 44 THR CA C 59.171 0.2 1 497 68 44 THR CB C 71.835 0.2 1 498 68 44 THR CG2 C 21.289 0.2 1 499 68 44 THR N N 116.587 0.2 1 500 69 45 ASP H H 8.615 0.02 1 501 69 45 ASP HA H 4.617 0.02 1 502 69 45 ASP HB2 H 3.116 0.02 2 503 69 45 ASP HB3 H 2.511 0.02 2 504 69 45 ASP C C 177.348 0.2 1 505 69 45 ASP CA C 54.031 0.2 1 506 69 45 ASP CB C 42.786 0.2 1 507 69 45 ASP N N 122.61 0.2 1 508 70 46 ARG H H 8.982 0.02 1 509 70 46 ARG HA H 4.08 0.02 1 510 70 46 ARG HB2 H 1.883 0.02 2 511 70 46 ARG HB3 H 1.86 0.02 2 512 70 46 ARG HG2 H 1.703 0.02 1 513 70 46 ARG HG3 H 1.703 0.02 1 514 70 46 ARG HD2 H 3.206 0.02 1 515 70 46 ARG HD3 H 3.206 0.02 1 516 70 46 ARG C C 176.706 0.2 1 517 70 46 ARG CA C 58.298 0.2 1 518 70 46 ARG CB C 30.071 0.2 1 519 70 46 ARG CG C 27.078 0.2 1 520 70 46 ARG CD C 43.196 0.2 1 521 70 46 ARG N N 126.787 0.2 1 522 71 47 ASN H H 8.844 0.02 1 523 71 47 ASN HA H 4.602 0.02 1 524 71 47 ASN HB2 H 2.869 0.02 2 525 71 47 ASN HB3 H 3.021 0.02 2 526 71 47 ASN HD21 H 7.927 0.02 2 527 71 47 ASN HD22 H 7.04 0.02 2 528 71 47 ASN C C 176.816 0.2 1 529 71 47 ASN CA C 55.174 0.2 1 530 71 47 ASN CB C 39.128 0.2 1 531 71 47 ASN N N 115.971 0.2 1 532 71 47 ASN ND2 N 114.861 0.2 1 533 72 48 THR H H 8.139 0.02 1 534 72 48 THR HA H 4.381 0.02 1 535 72 48 THR HB H 4.339 0.02 1 536 72 48 THR HG2 H 1.195 0.02 1 537 72 48 THR C C 175.368 0.2 1 538 72 48 THR CA C 61.743 0.2 1 539 72 48 THR CB C 70.549 0.2 1 540 72 48 THR CG2 C 21.147 0.2 1 541 72 48 THR N N 108.673 0.2 1 542 73 49 GLN H H 8.323 0.02 1 543 73 49 GLN HA H 3.989 0.02 1 544 73 49 GLN HB2 H 2.398 0.02 1 545 73 49 GLN HB3 H 2.398 0.02 1 546 73 49 GLN HG2 H 2.304 0.02 1 547 73 49 GLN HG3 H 2.304 0.02 1 548 73 49 GLN HE21 H 7.435 0.02 2 549 73 49 GLN HE22 H 6.769 0.02 2 550 73 49 GLN C C 174.394 0.2 1 551 73 49 GLN CA C 57.373 0.2 1 552 73 49 GLN CB C 25.934 0.2 1 553 73 49 GLN CG C 34.296 0.2 1 554 73 49 GLN N N 115.083 0.2 1 555 73 49 GLN NE2 N 112.987 0.2 1 556 74 50 LYS H H 7.676 0.02 1 557 74 50 LYS HA H 4.433 0.02 1 558 74 50 LYS HB2 H 1.852 0.02 2 559 74 50 LYS HB3 H 1.643 0.02 2 560 74 50 LYS HG2 H 1.386 0.02 1 561 74 50 LYS HG3 H 1.386 0.02 1 562 74 50 LYS HD2 H 1.594 0.02 1 563 74 50 LYS HD3 H 1.594 0.02 1 564 74 50 LYS HE2 H 2.912 0.02 2 565 74 50 LYS HE3 H 2.852 0.02 2 566 74 50 LYS C C 176.502 0.2 1 567 74 50 LYS CA C 55.541 0.2 1 568 74 50 LYS CB C 33.612 0.2 1 569 74 50 LYS CG C 24.42 0.2 1 570 74 50 LYS CD C 28.706 0.2 1 571 74 50 LYS CE C 42.098 0.2 1 572 74 50 LYS N N 118.343 0.2 1 573 75 51 SER H H 8.816 0.02 1 574 75 51 SER HA H 4.212 0.02 1 575 75 51 SER HB2 H 4.205 0.02 2 576 75 51 SER HB3 H 4.082 0.02 2 577 75 51 SER C C 175.838 0.2 1 578 75 51 SER CA C 58.209 0.2 1 579 75 51 SER CB C 64.335 0.2 1 580 75 51 SER N N 117.054 0.2 1 581 76 52 ARG H H 9.124 0.02 1 582 76 52 ARG HA H 4.323 0.02 1 583 76 52 ARG HB2 H 2.27 0.02 2 584 76 52 ARG HB3 H 1.37 0.02 2 585 76 52 ARG HG2 H 1.597 0.02 2 586 76 52 ARG HG3 H 1.719 0.02 2 587 76 52 ARG HD2 H 3.16 0.02 2 588 76 52 ARG HD3 H 3.39 0.02 2 589 76 52 ARG C C 175.86 0.2 1 590 76 52 ARG CA C 56.384 0.2 1 591 76 52 ARG CB C 30.841 0.2 1 592 76 52 ARG CG C 27.888 0.2 1 593 76 52 ARG CD C 43.46 0.2 1 594 76 52 ARG N N 123.664 0.2 1 595 77 53 GLY H H 9.678 0.02 1 596 77 53 GLY HA2 H 4.147 0.02 2 597 77 53 GLY HA3 H 3.05 0.02 2 598 77 53 GLY C C 170.843 0.2 1 599 77 53 GLY CA C 45.345 0.2 1 600 77 53 GLY N N 108.147 0.2 1 601 78 54 TYR H H 7.035 0.02 1 602 78 54 TYR HA H 4.925 0.02 1 603 78 54 TYR HB2 H 2.537 0.02 2 604 78 54 TYR HB3 H 2.178 0.02 2 605 78 54 TYR HD1 H 6.368 0.02 1 606 78 54 TYR HD2 H 6.368 0.02 1 607 78 54 TYR HE1 H 6.676 0.02 1 608 78 54 TYR HE2 H 6.676 0.02 1 609 78 54 TYR C C 171.032 0.2 1 610 78 54 TYR CA C 54.789 0.2 1 611 78 54 TYR CB C 40.954 0.2 1 612 78 54 TYR CD1 C 132.877 0.2 1 613 78 54 TYR CD2 C 132.877 0.2 1 614 78 54 TYR CE1 C 117.655 0.2 1 615 78 54 TYR CE2 C 117.655 0.2 1 616 78 54 TYR N N 111.447 0.2 1 617 79 55 GLY H H 8.738 0.02 1 618 79 55 GLY HA2 H 3.956 0.02 2 619 79 55 GLY HA3 H 3.809 0.02 2 620 79 55 GLY C C 169.412 0.2 1 621 79 55 GLY CA C 45.034 0.2 1 622 79 55 GLY N N 106.901 0.2 1 623 80 56 PHE H H 8.421 0.02 1 624 80 56 PHE HA H 5.551 0.02 1 625 80 56 PHE HB2 H 2.793 0.02 2 626 80 56 PHE HB3 H 2.186 0.02 2 627 80 56 PHE HD1 H 6.625 0.02 1 628 80 56 PHE HD2 H 6.625 0.02 1 629 80 56 PHE HE1 H 7.184 0.02 1 630 80 56 PHE HE2 H 7.184 0.02 1 631 80 56 PHE HZ H 7.314 0.02 1 632 80 56 PHE C C 174.745 0.2 1 633 80 56 PHE CA C 56.115 0.2 1 634 80 56 PHE CB C 44.296 0.2 1 635 80 56 PHE CD1 C 132.475 0.2 1 636 80 56 PHE CD2 C 132.475 0.2 1 637 80 56 PHE CE1 C 132.408 0.2 1 638 80 56 PHE CE2 C 132.408 0.2 1 639 80 56 PHE CZ C 128.385 0.2 1 640 80 56 PHE N N 112.755 0.2 1 641 81 57 VAL H H 8.823 0.02 1 642 81 57 VAL HA H 4.813 0.02 1 643 81 57 VAL HB H 1.116 0.02 1 644 81 57 VAL HG1 H 0.545 0.02 1 645 81 57 VAL HG2 H 0.28 0.02 1 646 81 57 VAL C C 174.649 0.2 1 647 81 57 VAL CA C 60.421 0.2 1 648 81 57 VAL CB C 35.214 0.2 1 649 81 57 VAL CG1 C 21.676 0.2 1 650 81 57 VAL CG2 C 21.129 0.2 1 651 81 57 VAL N N 121.216 0.2 1 652 82 58 THR H H 9.586 0.02 1 653 82 58 THR HA H 5.241 0.02 1 654 82 58 THR HB H 3.932 0.02 1 655 82 58 THR HG2 H 1.189 0.02 1 656 82 58 THR C C 175 0.2 1 657 82 58 THR CA C 61.807 0.2 1 658 82 58 THR CB C 69.379 0.2 1 659 82 58 THR CG2 C 20.929 0.2 1 660 82 58 THR N N 125.086 0.2 1 661 83 59 MET H H 8.46 0.02 1 662 83 59 MET HA H 5.104 0.02 1 663 83 59 MET HB2 H 2.273 0.02 2 664 83 59 MET HB3 H 2.573 0.02 2 665 83 59 MET HG2 H 2.291 0.02 1 666 83 59 MET HG3 H 2.291 0.02 1 667 83 59 MET HE H 1.946 0.02 1 668 83 59 MET C C 175.78 0.2 1 669 83 59 MET CA C 52.848 0.2 1 670 83 59 MET CB C 32.509 0.2 1 671 83 59 MET CG C 31.69 0.2 1 672 83 59 MET CE C 16.815 0.2 1 673 83 59 MET N N 125.43 0.2 1 674 84 60 LYS H H 8.354 0.02 1 675 84 60 LYS HA H 4.107 0.02 1 676 84 60 LYS HB2 H 1.916 0.02 2 677 84 60 LYS HB3 H 1.746 0.02 2 678 84 60 LYS HG2 H 1.381 0.02 1 679 84 60 LYS HG3 H 1.381 0.02 1 680 84 60 LYS HD2 H 1.724 0.02 1 681 84 60 LYS HD3 H 1.724 0.02 1 682 84 60 LYS HE2 H 2.93 0.02 1 683 84 60 LYS HE3 H 2.93 0.02 1 684 84 60 LYS C C 175.477 0.2 1 685 84 60 LYS CA C 58.949 0.2 1 686 84 60 LYS CB C 33.115 0.2 1 687 84 60 LYS CG C 25.983 0.2 1 688 84 60 LYS CD C 29.088 0.2 1 689 84 60 LYS CE C 41.16 0.2 1 690 84 60 LYS N N 117.657 0.2 1 691 85 61 ASP H H 7.739 0.02 1 692 85 61 ASP HA H 4.903 0.02 1 693 85 61 ASP HB2 H 2.755 0.02 2 694 85 61 ASP HB3 H 3.004 0.02 2 695 85 61 ASP C C 175.055 0.2 1 696 85 61 ASP CA C 52.188 0.2 1 697 85 61 ASP CB C 43.948 0.2 1 698 85 61 ASP N N 112.419 0.2 1 699 86 62 ARG H H 8.764 0.02 1 700 86 62 ARG HA H 4.085 0.02 1 701 86 62 ARG HB2 H 1.931 0.02 2 702 86 62 ARG HB3 H 1.867 0.02 2 703 86 62 ARG HG2 H 1.655 0.02 2 704 86 62 ARG HG3 H 1.831 0.02 2 705 86 62 ARG HD2 H 3.058 0.02 2 706 86 62 ARG HD3 H 2.997 0.02 2 707 86 62 ARG C C 177.882 0.2 1 708 86 62 ARG CA C 59.168 0.2 1 709 86 62 ARG CB C 30.375 0.2 1 710 86 62 ARG CG C 26.673 0.2 1 711 86 62 ARG CD C 43.81 0.2 1 712 86 62 ARG N N 121.842 0.2 1 713 87 63 ALA H H 8.69 0.02 1 714 87 63 ALA HA H 4.248 0.02 1 715 87 63 ALA HB H 1.532 0.02 1 716 87 63 ALA C C 180.986 0.2 1 717 87 63 ALA CA C 55.392 0.2 1 718 87 63 ALA CB C 17.98 0.2 1 719 87 63 ALA N N 123.692 0.2 1 720 88 64 SER H H 8.361 0.02 1 721 88 64 SER HA H 4.337 0.02 1 722 88 64 SER HB2 H 4.161 0.02 2 723 88 64 SER HB3 H 3.914 0.02 2 724 88 64 SER C C 176.014 0.2 1 725 88 64 SER CA C 61.947 0.2 1 726 88 64 SER CB C 63.153 0.2 1 727 88 64 SER N N 115.41 0.2 1 728 89 65 ALA H H 7.573 0.02 1 729 89 65 ALA HA H 4.111 0.02 1 730 89 65 ALA HB H 1.6 0.02 1 731 89 65 ALA C C 178.214 0.2 1 732 89 65 ALA CA C 55.552 0.2 1 733 89 65 ALA CB C 18.587 0.2 1 734 89 65 ALA N N 124.262 0.2 1 735 90 66 GLU H H 8.56 0.02 1 736 90 66 GLU HA H 4.048 0.02 1 737 90 66 GLU HB2 H 2.107 0.02 2 738 90 66 GLU HB3 H 2.241 0.02 2 739 90 66 GLU HG2 H 2.566 0.02 2 740 90 66 GLU HG3 H 2.25 0.02 2 741 90 66 GLU C C 180.601 0.2 1 742 90 66 GLU CA C 59.771 0.2 1 743 90 66 GLU CB C 29.174 0.2 1 744 90 66 GLU CG C 36.826 0.2 1 745 90 66 GLU N N 119.33 0.2 1 746 91 67 ARG H H 7.902 0.02 1 747 91 67 ARG HA H 3.983 0.02 1 748 91 67 ARG HB2 H 2.069 0.02 2 749 91 67 ARG HB3 H 2.352 0.02 2 750 91 67 ARG HG2 H 2.104 0.02 2 751 91 67 ARG HG3 H 1.727 0.02 2 752 91 67 ARG HD2 H 3.601 0.02 2 753 91 67 ARG HD3 H 3.432 0.02 2 754 91 67 ARG C C 178.433 0.2 1 755 91 67 ARG CA C 60.195 0.2 1 756 91 67 ARG CB C 31.09 0.2 1 757 91 67 ARG CG C 29.172 0.2 1 758 91 67 ARG CD C 43.985 0.2 1 759 91 67 ARG N N 118.992 0.2 1 760 92 68 ALA H H 7.915 0.02 1 761 92 68 ALA HA H 1.963 0.02 1 762 92 68 ALA HB H 1.423 0.02 1 763 92 68 ALA C C 176.603 0.2 1 764 92 68 ALA CA C 53.213 0.2 1 765 92 68 ALA CB C 19.953 0.2 1 766 92 68 ALA N N 121.29 0.2 1 767 93 69 CYS H H 7.177 0.02 1 768 93 69 CYS HA H 4.267 0.02 1 769 93 69 CYS HB2 H 2.82 0.02 2 770 93 69 CYS HB3 H 3.057 0.02 2 771 93 69 CYS C C 174.36 0.2 1 772 93 69 CYS CA C 59.723 0.2 1 773 93 69 CYS CB C 28.533 0.2 1 774 93 69 CYS N N 111.039 0.2 1 775 94 70 LYS H H 7.04 0.02 1 776 94 70 LYS HA H 3.896 0.02 1 777 94 70 LYS HB2 H 1.895 0.02 2 778 94 70 LYS HB3 H 1.829 0.02 2 779 94 70 LYS HG2 H 1.596 0.02 2 780 94 70 LYS HG3 H 1.546 0.02 2 781 94 70 LYS HD2 H 1.779 0.02 1 782 94 70 LYS HD3 H 1.779 0.02 1 783 94 70 LYS HE2 H 3.013 0.02 1 784 94 70 LYS HE3 H 3.013 0.02 1 785 94 70 LYS C C 176.492 0.2 1 786 94 70 LYS CA C 59.405 0.2 1 787 94 70 LYS CB C 32.109 0.2 1 788 94 70 LYS CG C 24.574 0.2 1 789 94 70 LYS CD C 28.777 0.2 1 790 94 70 LYS CE C 41.902 0.2 1 791 94 70 LYS N N 121.896 0.2 1 792 95 71 ASP H H 7.79 0.02 1 793 95 71 ASP HA H 5.146 0.02 1 794 95 71 ASP HB2 H 2.83 0.02 2 795 95 71 ASP HB3 H 2.496 0.02 2 796 95 71 ASP C C 174.804 0.2 1 797 95 71 ASP CA C 49.5 0.2 1 798 95 71 ASP CB C 40.789 0.2 1 799 95 71 ASP N N 116.844 0.2 1 800 96 72 PRO HA H 4.675 0.02 1 801 96 72 PRO HB2 H 2.156 0.02 2 802 96 72 PRO HB3 H 2.515 0.02 2 803 96 72 PRO HG2 H 2.091 0.02 1 804 96 72 PRO HG3 H 2.091 0.02 1 805 96 72 PRO HD2 H 4.113 0.02 2 806 96 72 PRO HD3 H 4.009 0.02 2 807 96 72 PRO C C 176.759 0.2 1 808 96 72 PRO CA C 63.376 0.2 1 809 96 72 PRO CB C 33.002 0.2 1 810 96 72 PRO CG C 26.335 0.2 1 811 96 72 PRO CD C 50.98 0.2 1 812 97 73 ASN H H 8.157 0.02 1 813 97 73 ASN HA H 5.92 0.02 1 814 97 73 ASN HB2 H 2.787 0.02 2 815 97 73 ASN HB3 H 2.451 0.02 2 816 97 73 ASN HD21 H 8.086 0.02 2 817 97 73 ASN HD22 H 7.09 0.02 2 818 97 73 ASN C C 170.803 0.2 1 819 97 73 ASN CA C 51.166 0.2 1 820 97 73 ASN CB C 41.752 0.2 1 821 97 73 ASN N N 116.74 0.2 1 822 97 73 ASN ND2 N 113.491 0.2 1 823 98 74 PRO HA H 4.45 0.02 1 824 98 74 PRO HB2 H 1.558 0.02 2 825 98 74 PRO HB3 H 2.084 0.02 2 826 98 74 PRO HG2 H 1.588 0.02 2 827 98 74 PRO HG3 H 1.948 0.02 2 828 98 74 PRO HD2 H 3.141 0.02 2 829 98 74 PRO HD3 H 3.591 0.02 2 830 98 74 PRO C C 174.311 0.2 1 831 98 74 PRO CA C 62.982 0.2 1 832 98 74 PRO CB C 31.73 0.2 1 833 98 74 PRO CG C 26.555 0.2 1 834 98 74 PRO CD C 49.188 0.2 1 835 99 75 ILE H H 8.059 0.02 1 836 99 75 ILE HA H 4.216 0.02 1 837 99 75 ILE HB H 1.802 0.02 1 838 99 75 ILE HG12 H 1.13 0.02 2 839 99 75 ILE HG13 H 1.477 0.02 2 840 99 75 ILE HG2 H 0.556 0.02 1 841 99 75 ILE HD1 H 0.721 0.02 1 842 99 75 ILE C C 175.508 0.2 1 843 99 75 ILE CA C 59.76 0.2 1 844 99 75 ILE CB C 35.792 0.2 1 845 99 75 ILE CG1 C 27.322 0.2 1 846 99 75 ILE CG2 C 17.214 0.2 1 847 99 75 ILE CD1 C 11.122 0.2 1 848 99 75 ILE N N 119.035 0.2 1 849 100 76 ILE H H 8.348 0.02 1 850 100 76 ILE HA H 3.769 0.02 1 851 100 76 ILE HB H 1.294 0.02 1 852 100 76 ILE HG12 H -0.469 0.02 2 853 100 76 ILE HG13 H 0.782 0.02 2 854 100 76 ILE HG2 H 0.447 0.02 1 855 100 76 ILE HD1 H 0.226 0.02 1 856 100 76 ILE C C 174.214 0.2 1 857 100 76 ILE CA C 60.777 0.2 1 858 100 76 ILE CB C 39.525 0.2 1 859 100 76 ILE CG1 C 25.681 0.2 1 860 100 76 ILE CG2 C 15.747 0.2 1 861 100 76 ILE CD1 C 13.706 0.2 1 862 100 76 ILE N N 128.537 0.2 1 863 101 77 ASP H H 8.938 0.02 1 864 101 77 ASP HA H 4.23 0.02 1 865 101 77 ASP HB2 H 3.025 0.02 2 866 101 77 ASP HB3 H 2.206 0.02 2 867 101 77 ASP C C 175.86 0.2 1 868 101 77 ASP CA C 54.755 0.2 1 869 101 77 ASP CB C 40.061 0.2 1 870 101 77 ASP N N 125.976 0.2 1 871 102 78 GLY H H 7.978 0.02 1 872 102 78 GLY HA2 H 4.143 0.02 2 873 102 78 GLY HA3 H 3.453 0.02 2 874 102 78 GLY C C 173.326 0.2 1 875 102 78 GLY CA C 45.341 0.2 1 876 102 78 GLY N N 100.097 0.2 1 877 103 79 ARG H H 7.774 0.02 1 878 103 79 ARG HA H 4.585 0.02 1 879 103 79 ARG HB2 H 1.603 0.02 2 880 103 79 ARG HB3 H 1.497 0.02 2 881 103 79 ARG HG2 H 1.741 0.02 2 882 103 79 ARG HG3 H 1.402 0.02 2 883 103 79 ARG HD2 H 2.78 0.02 1 884 103 79 ARG HD3 H 2.78 0.02 1 885 103 79 ARG C C 172.983 0.2 1 886 103 79 ARG CA C 54.551 0.2 1 887 103 79 ARG CB C 34.693 0.2 1 888 103 79 ARG CG C 28.601 0.2 1 889 103 79 ARG CD C 42.512 0.2 1 890 103 79 ARG N N 123.576 0.2 1 891 104 80 LYS H H 8.379 0.02 1 892 104 80 LYS HA H 4.098 0.02 1 893 104 80 LYS HB2 H 1.703 0.02 2 894 104 80 LYS HB3 H 1.534 0.02 2 895 104 80 LYS HG2 H 1.333 0.02 1 896 104 80 LYS HG3 H 1.333 0.02 1 897 104 80 LYS HD2 H 1.659 0.02 1 898 104 80 LYS HD3 H 1.659 0.02 1 899 104 80 LYS HE2 H 2.947 0.02 1 900 104 80 LYS HE3 H 2.947 0.02 1 901 104 80 LYS C C 173.563 0.2 1 902 104 80 LYS CA C 57.866 0.2 1 903 104 80 LYS CB C 31.643 0.2 1 904 104 80 LYS CG C 24.479 0.2 1 905 104 80 LYS CD C 29.282 0.2 1 906 104 80 LYS CE C 41.459 0.2 1 907 104 80 LYS N N 126.527 0.2 1 908 105 81 ALA H H 8.836 0.02 1 909 105 81 ALA HA H 4.664 0.02 1 910 105 81 ALA HB H 1.291 0.02 1 911 105 81 ALA C C 175.007 0.2 1 912 105 81 ALA CA C 51.023 0.2 1 913 105 81 ALA CB C 20.981 0.2 1 914 105 81 ALA N N 134.842 0.2 1 915 106 82 ASN H H 8.115 0.02 1 916 106 82 ASN HA H 5.491 0.02 1 917 106 82 ASN HB2 H 2.688 0.02 2 918 106 82 ASN HB3 H 2.617 0.02 2 919 106 82 ASN HD21 H 7.726 0.02 2 920 106 82 ASN HD22 H 6.997 0.02 2 921 106 82 ASN C C 172.917 0.2 1 922 106 82 ASN CA C 52.84 0.2 1 923 106 82 ASN CB C 40.901 0.2 1 924 106 82 ASN N N 115.208 0.2 1 925 106 82 ASN ND2 N 114.155 0.2 1 926 107 83 VAL H H 8.872 0.02 1 927 107 83 VAL HA H 5.229 0.02 1 928 107 83 VAL HB H 2.016 0.02 1 929 107 83 VAL HG1 H 1.05 0.02 1 930 107 83 VAL HG2 H 1.019 0.02 1 931 107 83 VAL C C 175.778 0.2 1 932 107 83 VAL CA C 60.513 0.2 1 933 107 83 VAL CB C 35.329 0.2 1 934 107 83 VAL CG1 C 22.762 0.2 1 935 107 83 VAL CG2 C 22.607 0.2 1 936 107 83 VAL N N 121.606 0.2 1 937 108 84 ASN H H 8.656 0.02 1 938 108 84 ASN HA H 4.939 0.02 1 939 108 84 ASN HB2 H 2.813 0.02 2 940 108 84 ASN HB3 H 3.013 0.02 2 941 108 84 ASN HD21 H 6.762 0.02 2 942 108 84 ASN HD22 H 7.151 0.02 2 943 108 84 ASN C C 173.767 0.2 1 944 108 84 ASN CA C 52.95 0.2 1 945 108 84 ASN CB C 42.21 0.2 1 946 108 84 ASN N N 118.778 0.2 1 947 108 84 ASN ND2 N 112.607 0.2 1 948 109 85 LEU H H 9.36 0.02 1 949 109 85 LEU HA H 4.495 0.02 1 950 109 85 LEU HB2 H 1.909 0.02 2 951 109 85 LEU HB3 H 1.819 0.02 2 952 109 85 LEU HG H 2.108 0.02 1 953 109 85 LEU HD1 H 1.372 0.02 1 954 109 85 LEU HD2 H 0.906 0.02 1 955 109 85 LEU C C 179.511 0.2 1 956 109 85 LEU CA C 56.906 0.2 1 957 109 85 LEU CB C 41.791 0.2 1 958 109 85 LEU CG C 27.234 0.2 1 959 109 85 LEU CD1 C 26.548 0.2 1 960 109 85 LEU CD2 C 22.996 0.2 1 961 109 85 LEU N N 123.897 0.2 1 962 110 86 ALA H H 9.637 0.02 1 963 110 86 ALA HA H 4.131 0.02 1 964 110 86 ALA HB H 1.673 0.02 1 965 110 86 ALA C C 180.365 0.2 1 966 110 86 ALA CA C 55.643 0.2 1 967 110 86 ALA CB C 18.018 0.2 1 968 110 86 ALA N N 127.945 0.2 1 969 111 87 TYR H H 9.09 0.02 1 970 111 87 TYR HA H 4.429 0.02 1 971 111 87 TYR HB2 H 3.228 0.02 2 972 111 87 TYR HB3 H 2.968 0.02 2 973 111 87 TYR HD1 H 7.132 0.02 1 974 111 87 TYR HD2 H 7.132 0.02 1 975 111 87 TYR HE1 H 6.782 0.02 1 976 111 87 TYR HE2 H 6.782 0.02 1 977 111 87 TYR C C 175.692 0.2 1 978 111 87 TYR CA C 59.765 0.2 1 979 111 87 TYR CB C 36.913 0.2 1 980 111 87 TYR CD1 C 133.615 0.2 1 981 111 87 TYR CD2 C 133.615 0.2 1 982 111 87 TYR CE1 C 118.316 0.2 1 983 111 87 TYR CE2 C 118.316 0.2 1 984 111 87 TYR N N 115.38 0.2 1 985 112 88 LEU H H 6.678 0.02 1 986 112 88 LEU HA H 3.615 0.02 1 987 112 88 LEU HB2 H 1.357 0.02 2 988 112 88 LEU HB3 H 1.51 0.02 2 989 112 88 LEU HG H 0.707 0.02 1 990 112 88 LEU HD1 H 0.977 0.02 1 991 112 88 LEU HD2 H 0.648 0.02 1 992 112 88 LEU C C 177.367 0.2 1 993 112 88 LEU CA C 56.58 0.2 1 994 112 88 LEU CB C 42.08 0.2 1 995 112 88 LEU CG C 26.724 0.2 1 996 112 88 LEU CD1 C 26.089 0.2 1 997 112 88 LEU CD2 C 22.777 0.2 1 998 112 88 LEU N N 120.658 0.2 1 999 113 89 GLY H H 6.956 0.02 1 1000 113 89 GLY HA2 H 3.324 0.02 2 1001 113 89 GLY HA3 H 4.313 0.02 2 1002 113 89 GLY C C 172.888 0.2 1 1003 113 89 GLY CA C 44.316 0.2 1 1004 113 89 GLY N N 103.604 0.2 1 1005 114 90 ALA H H 6.841 0.02 1 1006 114 90 ALA HA H 3.884 0.02 1 1007 114 90 ALA HB H 1.321 0.02 1 1008 114 90 ALA C C 176.756 0.2 1 1009 114 90 ALA CA C 52.168 0.2 1 1010 114 90 ALA CB C 19.36 0.2 1 1011 114 90 ALA N N 123.038 0.2 1 1012 115 91 LYS H H 8.114 0.02 1 1013 115 91 LYS HA H 4.48 0.02 1 1014 115 91 LYS HB2 H 1.721 0.02 2 1015 115 91 LYS HB3 H 1.808 0.02 2 1016 115 91 LYS HG2 H 1.505 0.02 2 1017 115 91 LYS HG3 H 1.416 0.02 2 1018 115 91 LYS HD2 H 1.696 0.02 1 1019 115 91 LYS HD3 H 1.696 0.02 1 1020 115 91 LYS HE2 H 2.993 0.02 1 1021 115 91 LYS HE3 H 2.993 0.02 1 1022 115 91 LYS C C 174.011 0.2 1 1023 115 91 LYS CA C 54.186 0.2 1 1024 115 91 LYS CB C 32.085 0.2 1 1025 115 91 LYS CG C 24.548 0.2 1 1026 115 91 LYS CD C 28.38 0.2 1 1027 115 91 LYS CE C 43.88 0.2 1 1028 115 91 LYS N N 123.18 0.2 1 1029 116 92 PRO HA H 4.423 0.02 1 1030 116 92 PRO HB2 H 1.928 0.02 2 1031 116 92 PRO HB3 H 2.29 0.02 2 1032 116 92 PRO HG2 H 2.02 0.02 1 1033 116 92 PRO HG3 H 2.02 0.02 1 1034 116 92 PRO HD2 H 3.624 0.02 2 1035 116 92 PRO HD3 H 3.811 0.02 2 1036 116 92 PRO C C 176.489 0.2 1 1037 116 92 PRO CA C 63.105 0.2 1 1038 116 92 PRO CB C 32.072 0.2 1 1039 116 92 PRO CG C 27.329 0.2 1 1040 116 92 PRO CD C 50.648 0.2 1 1041 117 93 ARG H H 8.528 0.2 1 1042 117 93 ARG HA H 4.458 0.02 1 1043 117 93 ARG HB2 H 1.787 0.02 2 1044 117 93 ARG HB3 H 1.898 0.02 2 1045 117 93 ARG HG2 H 1.707 0.02 2 1046 117 93 ARG HG3 H 1.663 0.02 2 1047 117 93 ARG HD2 H 3.203 0.02 1 1048 117 93 ARG HD3 H 3.203 0.02 1 1049 117 93 ARG C C 176.532 0.2 1 1050 117 93 ARG CA C 55.789 0.2 1 1051 117 93 ARG CB C 30.877 0.2 1 1052 117 93 ARG CG C 27.314 0.2 1 1053 117 93 ARG CD C 43.217 0.2 1 1054 117 93 ARG N N 122.255 0.2 1 1055 118 94 THR H H 8.423 0.02 1 1056 118 94 THR HA H 4.369 0.02 1 1057 118 94 THR HB H 4.212 0.02 1 1058 118 94 THR HG2 H 1.204 0.02 1 1059 118 94 THR C C 173.789 0.2 1 1060 118 94 THR CA C 61.609 0.2 1 1061 118 94 THR CB C 69.594 0.2 1 1062 118 94 THR CG2 C 21.534 0.2 1 1063 118 94 THR N N 115.952 0.2 1 1064 119 95 ASN H H 8.577 0.02 1 1065 119 95 ASN HA H 4.865 0.02 1 1066 119 95 ASN HB2 H 2.849 0.02 2 1067 119 95 ASN HB3 H 2.776 0.02 2 1068 119 95 ASN HD21 H 7.603 0.02 2 1069 119 95 ASN HD22 H 6.912 0.02 2 1070 119 95 ASN C C 174.527 0.2 1 1071 119 95 ASN CA C 53.171 0.2 1 1072 119 95 ASN CB C 38.806 0.2 1 1073 119 95 ASN N N 121.572 0.2 1 1074 119 95 ASN ND2 N 113.185 0.2 1 1075 120 96 VAL H H 8.095 0.02 1 1076 120 96 VAL HA H 4.132 0.02 1 1077 120 96 VAL HB H 2.105 0.02 1 1078 120 96 VAL HG1 H 0.935 0.02 1 1079 120 96 VAL HG2 H 0.919 0.02 1 1080 120 96 VAL C C 175.088 0.2 1 1081 120 96 VAL CA C 62.42 0.2 1 1082 120 96 VAL CB C 32.692 0.2 1 1083 120 96 VAL CG1 C 21.19 0.2 1 1084 120 96 VAL CG2 C 20.337 0.2 1 1085 120 96 VAL N N 120.608 0.2 1 1086 121 97 GLN H H 8.021 0.02 1 1087 121 97 GLN HA H 4.171 0.02 1 1088 121 97 GLN HB2 H 1.929 0.02 2 1089 121 97 GLN HB3 H 2.096 0.02 2 1090 121 97 GLN HG2 H 2.302 0.02 1 1091 121 97 GLN HG3 H 2.302 0.02 1 1092 121 97 GLN HE21 H 7.52 0.02 2 1093 121 97 GLN HE22 H 6.831 0.02 2 1094 121 97 GLN C C 180.607 0.2 1 1095 121 97 GLN CA C 57.403 0.2 1 1096 121 97 GLN CB C 30.462 0.2 1 1097 121 97 GLN CG C 34.296 0.2 1 1098 121 97 GLN N N 129.094 0.2 1 1099 121 97 GLN NE2 N 112.462 0.2 1 stop_ save_