data_16411 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Rtt103 CTD interacting domain ; _BMRB_accession_number 16411 _BMRB_flat_file_name bmr16411.str _Entry_type original _Submission_date 2009-07-20 _Accession_date 2009-07-20 _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 Lunde Bradley M. . 2 Reichow Steve . . 3 Kim Minkyu . . 4 Leeper Thomas C. . 5 Becker Roland . . 6 Buratowski Stephen . . 7 Meinhart Anton . . 8 Varani Gabriele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 850 "13C chemical shifts" 570 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-12 update BMRB 'update entry citation' 2010-09-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Cooperative interaction of transcription termination factors with the RNA polymerase II C-terminal domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20818393 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lunde Bradley M. . 2 Reichow Steve L. . 3 Kim Minkyu . . 4 Suh Hyunsuk . . 5 Leeper Thomas C. . 6 Yang Fan . . 7 Mutschler Hannes . . 8 Buratowski Stephen . . 9 Meinhart Anton . . 10 Varani Gabriele . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 17 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1195 _Page_last 1201 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rtt103 CTD interacting domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rtt103 CTD interacting domain' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Rtt103 CTD interacting domain' _Molecular_mass 15885.456 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MAFSSEQFTTKLNTLEDSQE SISSASKWLLLQYRDAPKVA EMWKEYMLRPSVNTRRKLLG LYLMNHVVQQAKGQKIIQFQ DSFGKVAAEVLGRINQEFPR DLKKKLSRVVNILKERNIFS KQVVNDIERSLAAALEHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 PHE 4 SER 5 SER 6 GLU 7 GLN 8 PHE 9 THR 10 THR 11 LYS 12 LEU 13 ASN 14 THR 15 LEU 16 GLU 17 ASP 18 SER 19 GLN 20 GLU 21 SER 22 ILE 23 SER 24 SER 25 ALA 26 SER 27 LYS 28 TRP 29 LEU 30 LEU 31 LEU 32 GLN 33 TYR 34 ARG 35 ASP 36 ALA 37 PRO 38 LYS 39 VAL 40 ALA 41 GLU 42 MET 43 TRP 44 LYS 45 GLU 46 TYR 47 MET 48 LEU 49 ARG 50 PRO 51 SER 52 VAL 53 ASN 54 THR 55 ARG 56 ARG 57 LYS 58 LEU 59 LEU 60 GLY 61 LEU 62 TYR 63 LEU 64 MET 65 ASN 66 HIS 67 VAL 68 VAL 69 GLN 70 GLN 71 ALA 72 LYS 73 GLY 74 GLN 75 LYS 76 ILE 77 ILE 78 GLN 79 PHE 80 GLN 81 ASP 82 SER 83 PHE 84 GLY 85 LYS 86 VAL 87 ALA 88 ALA 89 GLU 90 VAL 91 LEU 92 GLY 93 ARG 94 ILE 95 ASN 96 GLN 97 GLU 98 PHE 99 PRO 100 ARG 101 ASP 102 LEU 103 LYS 104 LYS 105 LYS 106 LEU 107 SER 108 ARG 109 VAL 110 VAL 111 ASN 112 ILE 113 LEU 114 LYS 115 GLU 116 ARG 117 ASN 118 ILE 119 PHE 120 SER 121 LYS 122 GLN 123 VAL 124 VAL 125 ASN 126 ASP 127 ILE 128 GLU 129 ARG 130 SER 131 LEU 132 ALA 133 ALA 134 ALA 135 LEU 136 GLU 137 HIS 138 HIS 139 HIS 140 HIS 141 HIS 142 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16412 "Rtt103 bound to CTD peptide" 100.00 142 100.00 100.00 5.65e-99 BMRB 17044 Rtt103 100.00 142 100.00 100.00 5.65e-99 PDB 2KM4 "Solution Structure Of Rtt103 Ctd Interacting Domain" 100.00 142 100.00 100.00 5.65e-99 PDB 2L0I "Solution Structure Of Rtt103 Ctd-Interacting Domain Bound To A Ser2 Phosphorylated Ctd Peptide" 100.00 142 100.00 100.00 5.65e-99 DBJ GAA22510 "K7_Rtt103p [Saccharomyces cerevisiae Kyokai no. 7]" 92.25 407 97.71 98.47 4.99e-85 EMBL CAY78790 "Rtt103p [Saccharomyces cerevisiae EC1118]" 92.25 408 98.47 98.47 1.39e-85 GB AAB64467 "Ydr289cp [Saccharomyces cerevisiae]" 92.25 409 99.24 99.24 1.70e-86 GB AAS56119 "YDR289C [Saccharomyces cerevisiae]" 92.25 409 99.24 99.24 1.70e-86 GB AHY75263 "Rtt103p [Saccharomyces cerevisiae YJM993]" 92.25 408 98.47 98.47 1.39e-85 GB AJP37990 "Rtt103p [Saccharomyces cerevisiae YJM1078]" 92.25 408 98.47 98.47 1.43e-85 GB AJU58113 "Rtt103p [Saccharomyces cerevisiae YJM189]" 92.25 408 98.47 98.47 1.39e-85 REF NP_010575 "Rtt103p [Saccharomyces cerevisiae S288c]" 92.25 409 99.24 99.24 1.70e-86 SP Q05543 "RecName: Full=Regulator of Ty1 transposition protein 103" 92.25 409 99.24 99.24 1.70e-86 TPG DAA12129 "TPA: Rtt103p [Saccharomyces cerevisiae S288c]" 92.25 409 99.24 99.24 1.70e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $entity 'recombinant technology' . Escherichia coli BL-21(DE3)RIL pET28b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1 '[U-99% 13C; U-99% 15N]' 'potassium chloride' 100 mM . . 'natural abundance' 'potassium phosphate' 35 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' 'potassium phosphate' 35 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 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' 100 . mM pH 6.8 . 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' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCO' '3D CBCA(CO)NH' '2D 1H-1H NOESY' '3D HNCACB' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Rtt103 CTD interacting domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.144 0.002 1 2 2 2 ALA HB H 1.506 0.005 . 3 2 2 ALA CA C 51.746 0.074 1 4 2 2 ALA CB C 19.668 0.065 1 5 3 3 PHE H H 7.518 0.002 1 6 3 3 PHE HA H 4.702 0.006 1 7 3 3 PHE HB2 H 3.168 0.008 2 8 3 3 PHE HB3 H 2.897 0.007 2 9 3 3 PHE HD1 H 7.144 0.014 3 10 3 3 PHE HD2 H 7.144 0.014 3 11 3 3 PHE C C 174.224 0.000 1 12 3 3 PHE CA C 58.011 0.000 1 13 3 3 PHE CB C 40.374 0.052 1 14 3 3 PHE N N 120.618 0.000 1 15 4 4 SER H H 7.921 0.008 1 16 4 4 SER HA H 4.685 0.004 1 17 4 4 SER HB2 H 4.139 0.006 2 18 4 4 SER HB3 H 3.885 0.013 2 19 4 4 SER CA C 55.896 0.000 1 20 4 4 SER CB C 64.709 0.064 1 21 4 4 SER N N 119.929 0.142 1 22 5 5 SER C C 177.045 0.000 1 23 6 6 GLU H H 8.800 0.003 1 24 6 6 GLU HA H 4.118 0.006 1 25 6 6 GLU HB2 H 2.065 0.007 2 26 6 6 GLU HB3 H 1.968 0.012 2 27 6 6 GLU HG2 H 2.304 0.012 2 28 6 6 GLU HG3 H 2.304 0.012 2 29 6 6 GLU C C 179.167 0.000 1 30 6 6 GLU CA C 59.883 0.092 1 31 6 6 GLU CB C 29.044 0.091 1 32 6 6 GLU CG C 36.063 0.126 1 33 6 6 GLU N N 122.729 0.032 1 34 7 7 GLN H H 7.958 0.010 1 35 7 7 GLN HA H 3.998 0.010 1 36 7 7 GLN HB2 H 2.292 0.007 2 37 7 7 GLN HB3 H 2.074 0.013 2 38 7 7 GLN HE21 H 7.495 0.010 2 39 7 7 GLN HE22 H 6.969 0.007 2 40 7 7 GLN HG2 H 2.441 0.016 2 41 7 7 GLN HG3 H 2.289 0.008 2 42 7 7 GLN C C 178.777 0.000 1 43 7 7 GLN CA C 58.771 0.113 1 44 7 7 GLN CB C 29.089 0.051 1 45 7 7 GLN CG C 34.333 0.157 1 46 7 7 GLN N N 119.369 0.042 1 47 7 7 GLN NE2 N 111.735 0.069 1 48 8 8 PHE H H 8.145 0.006 1 49 8 8 PHE HA H 4.458 0.008 1 50 8 8 PHE HB2 H 3.578 0.011 2 51 8 8 PHE HB3 H 3.522 0.011 2 52 8 8 PHE HD1 H 7.545 0.010 3 53 8 8 PHE HD2 H 7.545 0.010 3 54 8 8 PHE HE1 H 7.446 0.009 3 55 8 8 PHE HE2 H 7.446 0.009 3 56 8 8 PHE HZ H 7.238 0.009 1 57 8 8 PHE C C 176.456 0.000 1 58 8 8 PHE CA C 59.964 0.031 1 59 8 8 PHE CB C 39.263 0.085 1 60 8 8 PHE N N 119.881 0.042 1 61 9 9 THR H H 8.702 0.005 1 62 9 9 THR HA H 3.554 0.007 1 63 9 9 THR HB H 4.319 0.007 1 64 9 9 THR HG2 H 1.313 0.005 . 65 9 9 THR C C 176.025 0.000 1 66 9 9 THR CA C 67.342 0.071 1 67 9 9 THR CB C 68.482 0.027 1 68 9 9 THR CG2 C 22.242 0.047 1 69 9 9 THR N N 116.073 0.049 1 70 10 10 THR H H 8.116 0.006 1 71 10 10 THR HA H 3.897 0.005 1 72 10 10 THR HB H 4.118 0.008 1 73 10 10 THR HG2 H 1.121 0.004 . 74 10 10 THR C C 176.793 0.000 1 75 10 10 THR CA C 66.898 0.060 1 76 10 10 THR CB C 68.381 0.078 1 77 10 10 THR CG2 C 21.625 0.058 1 78 10 10 THR N N 117.663 0.108 1 79 11 11 LYS H H 7.768 0.009 1 80 11 11 LYS HA H 3.708 0.013 1 81 11 11 LYS HB2 H 1.765 0.004 2 82 11 11 LYS HB3 H 1.426 0.004 2 83 11 11 LYS HD2 H 1.110 0.012 2 84 11 11 LYS HD3 H 0.866 0.005 2 85 11 11 LYS HE2 H 1.788 0.007 2 86 11 11 LYS HE3 H 1.630 0.009 2 87 11 11 LYS HG2 H 1.017 0.013 2 88 11 11 LYS HG3 H 0.838 0.014 2 89 11 11 LYS C C 179.094 0.000 1 90 11 11 LYS CA C 58.452 0.115 1 91 11 11 LYS CB C 31.118 0.076 1 92 11 11 LYS CD C 28.055 0.133 1 93 11 11 LYS CE C 40.822 0.078 1 94 11 11 LYS CG C 24.368 0.144 1 95 11 11 LYS N N 122.005 0.036 1 96 12 12 LEU H H 7.911 0.006 1 97 12 12 LEU HA H 3.671 0.010 1 98 12 12 LEU HB2 H 1.114 0.009 2 99 12 12 LEU HB3 H 0.753 0.009 2 100 12 12 LEU HD1 H 0.333 0.008 . 101 12 12 LEU HD2 H -0.122 0.007 . 102 12 12 LEU HG H 0.937 0.008 1 103 12 12 LEU C C 178.963 0.000 1 104 12 12 LEU CA C 57.893 0.034 1 105 12 12 LEU CB C 39.996 0.035 1 106 12 12 LEU CD1 C 22.734 0.060 2 107 12 12 LEU CD2 C 23.478 0.072 2 108 12 12 LEU CG C 27.743 0.057 1 109 12 12 LEU N N 119.996 0.112 1 110 13 13 ASN H H 8.277 0.007 1 111 13 13 ASN HA H 4.595 0.012 1 112 13 13 ASN HB2 H 2.996 0.012 2 113 13 13 ASN HB3 H 2.930 0.009 2 114 13 13 ASN HD21 H 7.713 0.004 2 115 13 13 ASN HD22 H 7.065 0.007 2 116 13 13 ASN C C 176.432 0.000 1 117 13 13 ASN CA C 54.447 0.062 1 118 13 13 ASN CB C 38.468 0.039 1 119 13 13 ASN N N 115.337 0.063 1 120 13 13 ASN ND2 N 112.802 0.031 1 121 14 14 THR H H 7.426 0.003 1 122 14 14 THR HA H 4.488 0.012 1 123 14 14 THR HB H 4.433 0.007 1 124 14 14 THR HG2 H 1.218 0.007 . 125 14 14 THR C C 174.832 0.000 1 126 14 14 THR CA C 60.840 0.080 1 127 14 14 THR CB C 70.120 0.060 1 128 14 14 THR CG2 C 21.322 0.052 1 129 14 14 THR N N 106.315 0.024 1 130 15 15 LEU H H 6.917 0.004 1 131 15 15 LEU HA H 4.039 0.009 1 132 15 15 LEU HB2 H 1.768 0.004 2 133 15 15 LEU HB3 H 1.431 0.012 2 134 15 15 LEU HD1 H 0.916 0.008 . 135 15 15 LEU HD2 H 0.811 0.007 . 136 15 15 LEU HG H 2.118 0.007 1 137 15 15 LEU C C 176.081 0.000 1 138 15 15 LEU CA C 56.107 0.047 1 139 15 15 LEU CB C 43.265 0.044 1 140 15 15 LEU CD1 C 25.957 0.034 2 141 15 15 LEU CD2 C 25.030 0.023 2 142 15 15 LEU CG C 26.054 0.078 1 143 15 15 LEU N N 124.343 0.031 1 144 16 16 GLU H H 8.661 0.012 1 145 16 16 GLU HA H 4.563 0.006 1 146 16 16 GLU HB2 H 2.096 0.006 2 147 16 16 GLU HB3 H 1.784 0.006 2 148 16 16 GLU HG2 H 2.318 0.013 2 149 16 16 GLU HG3 H 2.231 0.008 2 150 16 16 GLU C C 174.725 0.000 1 151 16 16 GLU CA C 54.107 0.028 1 152 16 16 GLU CB C 33.107 0.058 1 153 16 16 GLU CG C 36.173 0.112 1 154 16 16 GLU N N 122.124 0.025 1 155 17 17 ASP H H 8.516 0.005 1 156 17 17 ASP HA H 4.705 0.007 1 157 17 17 ASP HB2 H 2.926 0.013 2 158 17 17 ASP HB3 H 2.464 0.007 2 159 17 17 ASP C C 175.515 0.000 1 160 17 17 ASP CA C 52.425 0.013 1 161 17 17 ASP CB C 39.090 0.084 1 162 17 17 ASP N N 118.258 0.013 1 163 18 18 SER H H 8.337 0.007 1 164 18 18 SER HA H 4.643 0.004 1 165 18 18 SER HB2 H 4.186 0.005 2 166 18 18 SER HB3 H 3.838 0.008 2 167 18 18 SER C C 174.222 0.000 1 168 18 18 SER CA C 56.340 0.015 1 169 18 18 SER CB C 65.859 0.012 1 170 18 18 SER N N 117.718 0.045 1 171 19 19 GLN H H 9.043 0.017 1 172 19 19 GLN HA H 3.983 0.013 1 173 19 19 GLN HB2 H 2.058 0.013 2 174 19 19 GLN HB3 H 2.058 0.013 2 175 19 19 GLN HE21 H 7.549 0.003 2 176 19 19 GLN HE22 H 6.671 0.025 2 177 19 19 GLN HG2 H 2.410 0.010 2 178 19 19 GLN HG3 H 2.410 0.010 2 179 19 19 GLN C C 179.093 0.000 1 180 19 19 GLN CA C 58.416 0.195 1 181 19 19 GLN CB C 28.029 0.149 1 182 19 19 GLN CG C 33.723 0.101 1 183 19 19 GLN N N 123.489 0.080 1 184 19 19 GLN NE2 N 111.900 0.033 1 185 20 20 GLU H H 8.980 0.007 1 186 20 20 GLU HA H 3.978 0.013 1 187 20 20 GLU HB2 H 2.020 0.013 2 188 20 20 GLU HB3 H 1.901 0.007 2 189 20 20 GLU HG2 H 2.347 0.010 2 190 20 20 GLU HG3 H 2.265 0.001 2 191 20 20 GLU C C 178.391 0.000 1 192 20 20 GLU CA C 59.881 0.102 1 193 20 20 GLU CB C 29.054 0.032 1 194 20 20 GLU CG C 36.220 0.048 1 195 20 20 GLU N N 119.872 0.030 1 196 21 21 SER H H 7.807 0.007 1 197 21 21 SER HA H 4.137 0.008 1 198 21 21 SER HB2 H 4.212 0.011 2 199 21 21 SER HB3 H 3.940 0.015 2 200 21 21 SER C C 178.792 0.000 1 201 21 21 SER CA C 61.209 0.014 1 202 21 21 SER CB C 63.610 0.054 1 203 21 21 SER N N 115.289 0.054 1 204 22 22 ILE H H 7.856 0.005 1 205 22 22 ILE HA H 3.680 0.004 1 206 22 22 ILE HB H 1.831 0.006 1 207 22 22 ILE HD1 H 0.977 0.011 . 208 22 22 ILE HG12 H 1.903 0.011 2 209 22 22 ILE HG13 H 1.559 0.008 2 210 22 22 ILE HG2 H 0.636 0.009 . 211 22 22 ILE C C 178.355 0.000 1 212 22 22 ILE CA C 64.010 0.051 1 213 22 22 ILE CB C 37.118 0.037 1 214 22 22 ILE CD1 C 12.049 0.051 1 215 22 22 ILE CG1 C 28.735 0.122 1 216 22 22 ILE CG2 C 17.542 0.066 1 217 22 22 ILE N N 119.136 0.027 1 218 23 23 SER H H 8.527 0.005 1 219 23 23 SER HA H 3.704 0.006 1 220 23 23 SER HB2 H 3.979 0.007 2 221 23 23 SER HB3 H 3.902 0.008 2 222 23 23 SER C C 177.271 0.000 1 223 23 23 SER CA C 61.697 0.078 1 224 23 23 SER CB C 62.404 0.087 1 225 23 23 SER N N 114.964 0.013 1 226 24 24 SER H H 8.054 0.007 1 227 24 24 SER HA H 4.246 0.011 1 228 24 24 SER HB2 H 4.064 0.007 2 229 24 24 SER HB3 H 3.963 0.009 2 230 24 24 SER C C 177.670 0.000 1 231 24 24 SER CA C 61.550 0.127 1 232 24 24 SER CB C 62.471 0.028 1 233 24 24 SER N N 116.838 0.022 1 234 25 25 ALA H H 7.756 0.005 1 235 25 25 ALA HA H 4.284 0.007 1 236 25 25 ALA HB H 1.485 0.006 . 237 25 25 ALA C C 178.996 0.000 1 238 25 25 ALA CA C 55.414 0.105 1 239 25 25 ALA CB C 18.775 0.060 1 240 25 25 ALA N N 124.330 0.029 1 241 26 26 SER H H 8.387 0.005 1 242 26 26 SER HA H 4.006 0.010 1 243 26 26 SER HB2 H 3.893 0.016 2 244 26 26 SER HB3 H 3.819 0.008 2 245 26 26 SER C C 175.906 0.000 1 246 26 26 SER CA C 61.431 0.068 1 247 26 26 SER CB C 63.240 0.067 1 248 26 26 SER N N 114.509 0.042 1 249 27 27 LYS H H 8.192 0.006 1 250 27 27 LYS HA H 3.960 0.009 1 251 27 27 LYS HB2 H 2.033 0.010 2 252 27 27 LYS HB3 H 1.993 0.016 2 253 27 27 LYS HD2 H 1.730 0.011 2 254 27 27 LYS HD3 H 1.730 0.011 2 255 27 27 LYS HE2 H 2.994 0.006 2 256 27 27 LYS HE3 H 2.994 0.006 2 257 27 27 LYS HG2 H 1.508 0.007 2 258 27 27 LYS HG3 H 1.508 0.007 2 259 27 27 LYS C C 178.855 0.000 1 260 27 27 LYS CA C 59.874 0.141 1 261 27 27 LYS CB C 32.621 0.022 1 262 27 27 LYS CD C 29.413 0.143 1 263 27 27 LYS CE C 42.214 0.058 1 264 27 27 LYS CG C 25.357 0.074 1 265 27 27 LYS N N 120.056 0.014 1 266 28 28 TRP H H 7.482 0.006 1 267 28 28 TRP HA H 4.279 0.008 1 268 28 28 TRP HB2 H 3.408 0.015 2 269 28 28 TRP HB3 H 3.568 0.013 2 270 28 28 TRP HD1 H 7.458 0.003 1 271 28 28 TRP HE1 H 10.357 0.003 1 272 28 28 TRP HE3 H 7.551 0.009 1 273 28 28 TRP HH2 H 6.901 0.008 1 274 28 28 TRP HZ2 H 7.532 0.008 1 275 28 28 TRP HZ3 H 6.819 0.009 1 276 28 28 TRP C C 178.815 0.000 1 277 28 28 TRP CA C 61.624 0.044 1 278 28 28 TRP CB C 27.952 0.042 1 279 28 28 TRP N N 118.413 0.017 1 280 28 28 TRP NE1 N 131.580 0.016 1 281 29 29 LEU H H 8.400 0.009 1 282 29 29 LEU HA H 3.588 0.005 1 283 29 29 LEU HB2 H 2.002 0.009 2 284 29 29 LEU HB3 H 1.286 0.004 2 285 29 29 LEU HD1 H 0.921 0.014 . 286 29 29 LEU HD2 H 0.808 0.010 . 287 29 29 LEU HG H 1.999 0.009 1 288 29 29 LEU C C 179.675 0.000 1 289 29 29 LEU CA C 57.705 0.088 1 290 29 29 LEU CB C 42.311 0.033 1 291 29 29 LEU CD1 C 25.870 0.053 2 292 29 29 LEU CD2 C 24.833 0.390 2 293 29 29 LEU CG C 27.185 0.043 1 294 29 29 LEU N N 119.660 0.109 1 295 30 30 LEU H H 8.542 0.008 1 296 30 30 LEU HA H 3.972 0.006 1 297 30 30 LEU HB2 H 1.827 0.004 2 298 30 30 LEU HB3 H 1.527 0.009 2 299 30 30 LEU HD1 H 0.774 0.015 . 300 30 30 LEU HD2 H 0.650 0.013 . 301 30 30 LEU HG H 1.724 0.012 1 302 30 30 LEU C C 179.738 0.000 1 303 30 30 LEU CA C 57.833 0.125 1 304 30 30 LEU CB C 41.562 0.175 1 305 30 30 LEU CD1 C 25.624 0.190 2 306 30 30 LEU CD2 C 23.767 0.150 2 307 30 30 LEU CG C 27.725 0.094 1 308 30 30 LEU N N 119.150 0.031 1 309 31 31 LEU H H 7.195 0.010 1 310 31 31 LEU HA H 4.354 0.008 1 311 31 31 LEU HB2 H 1.889 0.012 2 312 31 31 LEU HB3 H 1.516 0.006 2 313 31 31 LEU HD1 H 0.992 0.010 . 314 31 31 LEU HD2 H 0.970 0.008 . 315 31 31 LEU HG H 1.988 0.004 1 316 31 31 LEU C C 179.170 0.000 1 317 31 31 LEU CA C 56.541 0.085 1 318 31 31 LEU CB C 41.688 0.031 1 319 31 31 LEU CD1 C 25.574 0.046 2 320 31 31 LEU CD2 C 22.456 0.040 2 321 31 31 LEU CG C 26.391 0.145 1 322 31 31 LEU N N 116.392 0.033 1 323 32 32 GLN H H 8.127 0.009 1 324 32 32 GLN HA H 4.505 0.005 1 325 32 32 GLN HB2 H 2.137 0.011 2 326 32 32 GLN HB3 H 1.710 0.007 2 327 32 32 GLN HE21 H 6.007 0.005 2 328 32 32 GLN HE22 H 5.591 0.005 2 329 32 32 GLN HG2 H 2.014 0.008 2 330 32 32 GLN HG3 H 1.284 0.005 2 331 32 32 GLN C C 177.220 0.000 1 332 32 32 GLN CA C 53.051 0.052 1 333 32 32 GLN CB C 25.831 0.000 1 334 32 32 GLN CG C 31.331 0.046 1 335 32 32 GLN N N 118.024 0.090 1 336 32 32 GLN NE2 N 110.480 0.033 1 337 33 33 TYR H H 6.939 0.009 1 338 33 33 TYR HA H 3.660 0.006 1 339 33 33 TYR HB2 H 3.239 0.009 2 340 33 33 TYR HB3 H 2.719 0.006 2 341 33 33 TYR HD1 H 7.054 0.012 3 342 33 33 TYR HD2 H 7.054 0.012 3 343 33 33 TYR HE1 H 6.873 0.009 3 344 33 33 TYR HE2 H 6.873 0.009 3 345 33 33 TYR C C 176.279 0.000 1 346 33 33 TYR CA C 60.307 0.034 1 347 33 33 TYR CB C 37.836 0.069 1 348 33 33 TYR N N 116.188 0.057 1 349 34 34 ARG H H 7.843 0.005 1 350 34 34 ARG HA H 3.810 0.011 1 351 34 34 ARG HB2 H 1.661 0.014 2 352 34 34 ARG HB3 H 1.253 0.013 2 353 34 34 ARG HD2 H 3.057 0.005 2 354 34 34 ARG HD3 H 2.936 0.012 2 355 34 34 ARG HG2 H 1.219 0.008 2 356 34 34 ARG HG3 H 0.984 0.004 2 357 34 34 ARG C C 176.646 0.000 1 358 34 34 ARG CA C 58.162 0.057 1 359 34 34 ARG CB C 29.362 0.130 1 360 34 34 ARG CD C 43.171 0.087 1 361 34 34 ARG CG C 28.094 0.082 1 362 34 34 ARG N N 122.026 0.023 1 363 35 35 ASP H H 7.840 0.005 1 364 35 35 ASP HA H 5.001 0.008 1 365 35 35 ASP HB2 H 2.819 0.007 2 366 35 35 ASP HB3 H 2.128 0.009 2 367 35 35 ASP C C 175.311 0.000 1 368 35 35 ASP CA C 52.722 0.048 1 369 35 35 ASP CB C 42.615 0.049 1 370 35 35 ASP N N 117.702 0.043 1 371 36 36 ALA H H 7.173 0.015 1 372 36 36 ALA HA H 3.555 0.012 1 373 36 36 ALA HB H 0.645 0.011 . 374 36 36 ALA CA C 56.750 0.055 1 375 36 36 ALA CB C 15.983 0.046 1 376 36 36 ALA N N 121.856 0.049 1 377 37 37 PRO HA H 4.083 0.007 1 378 37 37 PRO HB2 H 2.335 0.008 2 379 37 37 PRO HB3 H 1.765 0.015 2 380 37 37 PRO HD2 H 3.487 0.012 2 381 37 37 PRO HD3 H 3.487 0.012 2 382 37 37 PRO HG2 H 2.039 0.015 2 383 37 37 PRO HG3 H 1.816 0.004 2 384 37 37 PRO C C 179.159 0.000 1 385 37 37 PRO CA C 66.681 0.058 1 386 37 37 PRO CB C 31.150 0.057 1 387 37 37 PRO CD C 50.386 0.155 1 388 37 37 PRO CG C 28.431 0.038 1 389 38 38 LYS H H 7.148 0.008 1 390 38 38 LYS HA H 4.077 0.014 1 391 38 38 LYS HB2 H 1.786 0.016 2 392 38 38 LYS HB3 H 1.786 0.016 2 393 38 38 LYS HD2 H 1.633 0.008 2 394 38 38 LYS HD3 H 1.633 0.008 2 395 38 38 LYS HE2 H 2.902 0.008 2 396 38 38 LYS HE3 H 2.902 0.008 2 397 38 38 LYS HG2 H 1.449 0.019 2 398 38 38 LYS HG3 H 1.406 0.011 2 399 38 38 LYS C C 178.926 0.000 1 400 38 38 LYS CA C 58.441 0.192 1 401 38 38 LYS CB C 32.292 0.046 1 402 38 38 LYS CD C 29.203 0.063 1 403 38 38 LYS CE C 41.856 0.041 1 404 38 38 LYS CG C 24.975 0.023 1 405 38 38 LYS N N 118.102 0.042 1 406 39 39 VAL H H 7.859 0.009 1 407 39 39 VAL HA H 3.304 0.006 1 408 39 39 VAL HB H 2.151 0.008 1 409 39 39 VAL HG1 H 0.929 0.006 . 410 39 39 VAL HG2 H 0.590 0.007 . 411 39 39 VAL C C 177.502 0.000 1 412 39 39 VAL CA C 66.265 0.056 1 413 39 39 VAL CB C 31.396 0.070 1 414 39 39 VAL CG1 C 22.435 0.039 2 415 39 39 VAL CG2 C 22.492 0.032 2 416 39 39 VAL N N 119.410 0.035 1 417 40 40 ALA H H 7.996 0.006 1 418 40 40 ALA HA H 3.602 0.013 1 419 40 40 ALA HB H 0.826 0.012 . 420 40 40 ALA C C 179.244 0.000 1 421 40 40 ALA CA C 55.475 0.060 1 422 40 40 ALA CB C 17.765 0.052 1 423 40 40 ALA N N 120.256 0.025 1 424 41 41 GLU H H 7.916 0.014 1 425 41 41 GLU HA H 4.052 0.014 1 426 41 41 GLU HB2 H 2.155 0.016 2 427 41 41 GLU HB3 H 2.155 0.016 2 428 41 41 GLU HG2 H 2.341 0.020 2 429 41 41 GLU HG3 H 2.304 0.008 2 430 41 41 GLU C C 179.501 0.000 1 431 41 41 GLU CA C 59.433 0.034 1 432 41 41 GLU CB C 29.758 0.126 1 433 41 41 GLU CG C 36.049 0.116 1 434 41 41 GLU N N 118.139 0.028 1 435 42 42 MET H H 8.582 0.006 1 436 42 42 MET HA H 4.259 0.009 1 437 42 42 MET HB2 H 2.057 0.011 2 438 42 42 MET HB3 H 1.866 0.011 2 439 42 42 MET HE H 2.092 0.008 . 440 42 42 MET HG2 H 2.832 0.011 2 441 42 42 MET HG3 H 2.633 0.007 2 442 42 42 MET C C 179.329 0.000 1 443 42 42 MET CA C 59.092 0.080 1 444 42 42 MET CB C 32.407 0.157 1 445 42 42 MET CE C 17.679 0.068 1 446 42 42 MET CG C 33.236 0.064 1 447 42 42 MET N N 119.365 0.027 1 448 43 43 TRP H H 9.057 0.004 1 449 43 43 TRP HA H 4.232 0.008 1 450 43 43 TRP HB2 H 3.554 0.010 2 451 43 43 TRP HB3 H 4.011 0.015 2 452 43 43 TRP HD1 H 7.124 0.011 1 453 43 43 TRP HE1 H 9.820 0.004 1 454 43 43 TRP HE3 H 7.873 0.005 1 455 43 43 TRP HH2 H 6.948 0.008 1 456 43 43 TRP HZ2 H 7.248 0.010 1 457 43 43 TRP HZ3 H 7.011 0.008 1 458 43 43 TRP C C 176.080 0.000 1 459 43 43 TRP CA C 62.985 0.051 1 460 43 43 TRP CB C 28.895 0.062 1 461 43 43 TRP N N 122.792 0.027 1 462 43 43 TRP NE1 N 129.818 0.028 1 463 44 44 LYS H H 8.745 0.005 1 464 44 44 LYS HA H 3.480 0.007 1 465 44 44 LYS HB2 H 2.253 0.007 2 466 44 44 LYS HB3 H 1.841 0.013 2 467 44 44 LYS HD2 H 1.695 0.012 2 468 44 44 LYS HD3 H 1.668 0.009 2 469 44 44 LYS HE2 H 2.901 0.003 2 470 44 44 LYS HE3 H 2.803 0.006 2 471 44 44 LYS HG2 H 1.279 0.005 2 472 44 44 LYS HG3 H 1.178 0.010 2 473 44 44 LYS C C 176.255 0.000 1 474 44 44 LYS CA C 59.906 0.044 1 475 44 44 LYS CB C 31.651 0.170 1 476 44 44 LYS CD C 29.819 0.069 1 477 44 44 LYS CE C 41.956 0.007 1 478 44 44 LYS CG C 24.662 0.103 1 479 44 44 LYS N N 119.720 0.034 1 480 45 45 GLU H H 8.038 0.006 1 481 45 45 GLU HA H 3.776 0.005 1 482 45 45 GLU HB2 H 2.191 0.014 2 483 45 45 GLU HB3 H 2.090 0.012 2 484 45 45 GLU HG2 H 2.487 0.005 2 485 45 45 GLU HG3 H 2.235 0.007 2 486 45 45 GLU C C 178.815 0.000 1 487 45 45 GLU CA C 59.606 0.072 1 488 45 45 GLU CB C 29.233 0.156 1 489 45 45 GLU CG C 36.333 0.123 1 490 45 45 GLU N N 116.482 0.047 1 491 46 46 TYR H H 7.901 0.009 1 492 46 46 TYR HA H 3.762 0.005 1 493 46 46 TYR HB2 H 3.051 0.015 2 494 46 46 TYR HB3 H 3.015 0.013 2 495 46 46 TYR HD1 H 6.756 0.009 3 496 46 46 TYR HD2 H 6.756 0.009 3 497 46 46 TYR HE1 H 6.528 0.006 3 498 46 46 TYR HE2 H 6.528 0.006 3 499 46 46 TYR C C 176.153 0.000 1 500 46 46 TYR CA C 62.151 0.041 1 501 46 46 TYR CB C 39.335 0.028 1 502 46 46 TYR N N 119.503 0.022 1 503 47 47 MET H H 8.003 0.004 1 504 47 47 MET HA H 3.861 0.009 1 505 47 47 MET HB2 H 1.522 0.011 2 506 47 47 MET HB3 H 1.286 0.008 2 507 47 47 MET HE H 1.977 0.008 . 508 47 47 MET HG2 H 0.438 0.017 2 509 47 47 MET HG3 H 1.935 0.016 2 510 47 47 MET C C 177.531 0.000 1 511 47 47 MET CA C 55.053 0.052 1 512 47 47 MET CB C 31.460 0.093 1 513 47 47 MET CE C 17.319 0.077 1 514 47 47 MET CG C 31.222 0.034 1 515 47 47 MET N N 112.622 0.025 1 516 48 48 LEU H H 7.438 0.010 1 517 48 48 LEU HA H 4.252 0.007 1 518 48 48 LEU HB2 H 1.657 0.012 2 519 48 48 LEU HB3 H 1.556 0.013 2 520 48 48 LEU HD1 H 0.710 0.008 . 521 48 48 LEU HD2 H 0.688 0.011 . 522 48 48 LEU HG H 1.830 0.006 1 523 48 48 LEU C C 177.810 0.000 1 524 48 48 LEU CA C 53.678 0.029 1 525 48 48 LEU CB C 41.115 0.061 1 526 48 48 LEU CD1 C 25.909 0.049 2 527 48 48 LEU CD2 C 23.278 0.166 2 528 48 48 LEU CG C 26.192 0.097 1 529 48 48 LEU N N 114.659 0.022 1 530 49 49 ARG H H 7.382 0.005 1 531 49 49 ARG HA H 4.369 0.007 1 532 49 49 ARG HB2 H 1.980 0.011 2 533 49 49 ARG HB3 H 1.703 0.011 2 534 49 49 ARG HD2 H 3.058 0.005 2 535 49 49 ARG HD3 H 2.942 0.007 2 536 49 49 ARG HG2 H 2.100 0.006 2 537 49 49 ARG HG3 H 1.616 0.009 2 538 49 49 ARG CA C 55.512 0.060 1 539 49 49 ARG CB C 30.639 0.055 1 540 49 49 ARG CD C 43.852 0.098 1 541 49 49 ARG CG C 27.243 0.114 1 542 49 49 ARG N N 125.264 0.049 1 543 50 50 PRO HA H 4.497 0.009 1 544 50 50 PRO HB2 H 2.312 0.008 2 545 50 50 PRO HB3 H 1.962 0.017 2 546 50 50 PRO HD2 H 4.111 0.010 2 547 50 50 PRO HD3 H 3.861 0.008 2 548 50 50 PRO HG2 H 2.044 0.018 2 549 50 50 PRO HG3 H 2.007 0.006 2 550 50 50 PRO C C 177.166 0.000 1 551 50 50 PRO CA C 64.212 0.054 1 552 50 50 PRO CB C 31.824 0.036 1 553 50 50 PRO CD C 51.291 0.081 1 554 50 50 PRO CG C 27.489 0.080 1 555 51 51 SER H H 7.188 0.003 1 556 51 51 SER HA H 4.254 0.005 1 557 51 51 SER HB2 H 4.083 0.007 2 558 51 51 SER HB3 H 3.754 0.004 2 559 51 51 SER C C 174.142 0.000 1 560 51 51 SER CA C 57.871 0.033 1 561 51 51 SER CB C 62.864 0.035 1 562 51 51 SER N N 107.706 0.023 1 563 52 52 VAL H H 6.912 0.004 1 564 52 52 VAL HA H 3.919 0.007 1 565 52 52 VAL HB H 1.653 0.007 1 566 52 52 VAL HG1 H 0.658 0.009 . 567 52 52 VAL HG2 H 0.442 0.011 . 568 52 52 VAL C C 175.243 0.000 1 569 52 52 VAL CA C 62.223 0.026 1 570 52 52 VAL CB C 31.820 0.036 1 571 52 52 VAL CG1 C 21.443 0.096 2 572 52 52 VAL CG2 C 21.995 0.080 2 573 52 52 VAL N N 125.507 0.048 1 574 53 53 ASN H H 8.418 0.009 1 575 53 53 ASN HA H 4.622 0.005 1 576 53 53 ASN HB2 H 3.284 0.009 2 577 53 53 ASN HB3 H 2.852 0.008 2 578 53 53 ASN HD21 H 7.697 0.003 2 579 53 53 ASN HD22 H 6.975 0.006 2 580 53 53 ASN C C 175.891 0.000 1 581 53 53 ASN CA C 53.279 0.041 1 582 53 53 ASN CB C 39.098 0.143 1 583 53 53 ASN N N 125.469 0.031 1 584 53 53 ASN ND2 N 112.883 0.043 1 585 54 54 THR H H 8.415 0.003 1 586 54 54 THR HA H 3.814 0.011 1 587 54 54 THR HB H 4.004 0.012 1 588 54 54 THR HG2 H 1.404 0.009 . 589 54 54 THR C C 176.190 0.000 1 590 54 54 THR CA C 66.463 0.070 1 591 54 54 THR CB C 68.742 0.117 1 592 54 54 THR CG2 C 23.526 0.036 1 593 54 54 THR N N 112.458 0.046 1 594 55 55 ARG H H 8.069 0.010 1 595 55 55 ARG HA H 3.845 0.006 1 596 55 55 ARG HB2 H 1.882 0.013 2 597 55 55 ARG HB3 H 1.882 0.013 2 598 55 55 ARG HD2 H 3.209 0.008 2 599 55 55 ARG HD3 H 3.209 0.008 2 600 55 55 ARG HG2 H 1.681 0.010 2 601 55 55 ARG HG3 H 1.543 0.008 2 602 55 55 ARG C C 178.760 0.000 1 603 55 55 ARG CA C 59.499 0.059 1 604 55 55 ARG CB C 29.173 0.063 1 605 55 55 ARG CD C 43.088 0.090 1 606 55 55 ARG CG C 27.923 0.098 1 607 55 55 ARG N N 121.304 0.034 1 608 56 56 ARG H H 7.983 0.008 1 609 56 56 ARG HA H 4.023 0.017 1 610 56 56 ARG HB2 H 2.099 0.016 2 611 56 56 ARG HB3 H 2.035 0.009 2 612 56 56 ARG HD2 H 3.373 0.007 2 613 56 56 ARG HD3 H 3.373 0.007 2 614 56 56 ARG HG2 H 1.973 0.009 2 615 56 56 ARG HG3 H 1.665 0.012 2 616 56 56 ARG C C 180.126 0.000 1 617 56 56 ARG CA C 59.368 0.055 1 618 56 56 ARG CB C 29.201 0.004 1 619 56 56 ARG CD C 43.300 0.061 1 620 56 56 ARG CG C 27.953 0.189 1 621 56 56 ARG N N 118.741 0.037 1 622 57 57 LYS H H 8.049 0.008 1 623 57 57 LYS HA H 4.236 0.012 1 624 57 57 LYS HB2 H 2.174 0.008 2 625 57 57 LYS HB3 H 1.685 0.011 2 626 57 57 LYS HD2 H 1.476 0.009 2 627 57 57 LYS HD3 H 1.476 0.009 2 628 57 57 LYS HE2 H 3.052 0.008 2 629 57 57 LYS HE3 H 2.681 0.004 2 630 57 57 LYS HG2 H 1.625 0.012 2 631 57 57 LYS HG3 H 1.224 0.005 2 632 57 57 LYS C C 178.857 0.000 1 633 57 57 LYS CA C 60.167 0.093 1 634 57 57 LYS CB C 33.176 0.075 1 635 57 57 LYS CD C 29.732 0.054 1 636 57 57 LYS CE C 43.035 0.138 1 637 57 57 LYS CG C 27.770 0.105 1 638 57 57 LYS N N 120.036 0.036 1 639 58 58 LEU H H 8.268 0.007 1 640 58 58 LEU HA H 3.956 0.012 1 641 58 58 LEU HB2 H 1.959 0.008 2 642 58 58 LEU HB3 H 1.253 0.007 2 643 58 58 LEU HD1 H 0.819 0.005 . 644 58 58 LEU HD2 H 0.672 0.006 . 645 58 58 LEU HG H 0.999 0.007 1 646 58 58 LEU C C 178.188 0.000 1 647 58 58 LEU CA C 58.357 0.099 1 648 58 58 LEU CB C 40.864 0.054 1 649 58 58 LEU CD1 C 25.740 0.089 2 650 58 58 LEU CD2 C 23.876 0.014 2 651 58 58 LEU CG C 26.463 0.000 1 652 58 58 LEU N N 121.494 0.029 1 653 59 59 LEU H H 7.701 0.005 1 654 59 59 LEU HA H 3.996 0.008 1 655 59 59 LEU HB2 H 2.050 0.007 2 656 59 59 LEU HB3 H 1.391 0.005 2 657 59 59 LEU HD1 H 0.799 0.008 . 658 59 59 LEU HD2 H 0.745 0.008 . 659 59 59 LEU HG H 1.895 0.013 1 660 59 59 LEU C C 179.488 0.000 1 661 59 59 LEU CA C 58.216 0.028 1 662 59 59 LEU CB C 40.317 0.043 1 663 59 59 LEU CD1 C 22.418 0.055 2 664 59 59 LEU CD2 C 25.367 0.122 2 665 59 59 LEU CG C 26.743 0.027 1 666 59 59 LEU N N 117.058 0.024 1 667 60 60 GLY H H 8.475 0.003 1 668 60 60 GLY HA2 H 4.308 0.009 2 669 60 60 GLY HA3 H 3.803 0.010 2 670 60 60 GLY C C 178.275 0.000 1 671 60 60 GLY CA C 47.482 0.049 1 672 60 60 GLY N N 106.974 0.020 1 673 61 61 LEU H H 8.612 0.009 1 674 61 61 LEU HA H 4.652 0.008 1 675 61 61 LEU HB2 H 2.677 0.011 2 676 61 61 LEU HB3 H 1.593 0.013 2 677 61 61 LEU HD1 H 1.119 0.011 . 678 61 61 LEU HD2 H 1.065 0.012 . 679 61 61 LEU HG H 1.796 0.007 1 680 61 61 LEU C C 177.987 0.000 1 681 61 61 LEU CA C 58.468 0.075 1 682 61 61 LEU CB C 41.320 0.048 1 683 61 61 LEU CD1 C 24.093 0.030 2 684 61 61 LEU CD2 C 26.124 0.052 2 685 61 61 LEU CG C 27.363 0.053 1 686 61 61 LEU N N 127.245 0.024 1 687 62 62 TYR H H 8.709 0.007 1 688 62 62 TYR HA H 4.633 0.007 1 689 62 62 TYR HB2 H 3.480 0.003 2 690 62 62 TYR HB3 H 3.269 0.006 2 691 62 62 TYR HD1 H 6.958 0.009 3 692 62 62 TYR HD2 H 6.958 0.009 3 693 62 62 TYR HE1 H 6.766 0.007 3 694 62 62 TYR HE2 H 6.766 0.007 3 695 62 62 TYR C C 180.145 0.000 1 696 62 62 TYR CA C 58.117 0.042 1 697 62 62 TYR CB C 35.986 0.040 1 698 62 62 TYR N N 120.554 0.043 1 699 63 63 LEU H H 8.998 0.004 1 700 63 63 LEU HA H 4.215 0.011 1 701 63 63 LEU HB2 H 2.239 0.008 2 702 63 63 LEU HB3 H 1.662 0.008 2 703 63 63 LEU HD1 H 1.063 0.010 . 704 63 63 LEU HD2 H 1.030 0.009 . 705 63 63 LEU HG H 1.467 0.011 1 706 63 63 LEU C C 176.592 0.000 1 707 63 63 LEU CA C 58.389 0.051 1 708 63 63 LEU CB C 41.434 0.129 1 709 63 63 LEU CD1 C 26.478 0.141 2 710 63 63 LEU CD2 C 24.446 0.141 2 711 63 63 LEU CG C 27.272 0.076 1 712 63 63 LEU N N 121.276 0.036 1 713 64 64 MET H H 7.529 0.006 1 714 64 64 MET HA H 2.863 0.010 1 715 64 64 MET HB2 H 2.047 0.009 2 716 64 64 MET HB3 H 1.174 0.009 2 717 64 64 MET HE H 1.926 0.004 . 718 64 64 MET HG2 H 0.806 0.006 2 719 64 64 MET HG3 H 0.637 0.014 2 720 64 64 MET C C 176.348 0.000 1 721 64 64 MET CA C 60.050 0.040 1 722 64 64 MET CB C 31.063 0.079 1 723 64 64 MET CE C 16.728 0.077 1 724 64 64 MET CG C 30.991 0.056 1 725 64 64 MET N N 118.616 0.050 1 726 65 65 ASN H H 8.248 0.011 1 727 65 65 ASN HA H 4.154 0.013 1 728 65 65 ASN HB2 H 2.964 0.011 2 729 65 65 ASN HB3 H 2.490 0.013 2 730 65 65 ASN HD21 H 7.698 0.014 2 731 65 65 ASN HD22 H 5.962 0.005 2 732 65 65 ASN C C 175.703 0.000 1 733 65 65 ASN CA C 56.248 0.138 1 734 65 65 ASN CB C 39.750 0.052 1 735 65 65 ASN N N 115.158 0.013 1 736 65 65 ASN ND2 N 109.924 0.042 1 737 66 66 HIS H H 8.135 0.007 1 738 66 66 HIS HA H 3.928 0.010 1 739 66 66 HIS HB2 H 3.116 0.020 2 740 66 66 HIS HB3 H 3.060 0.006 2 741 66 66 HIS HD2 H 6.999 0.009 1 742 66 66 HIS C C 178.375 0.000 1 743 66 66 HIS CA C 60.946 0.059 1 744 66 66 HIS CB C 31.611 0.003 1 745 66 66 HIS N N 118.768 0.025 1 746 67 67 VAL H H 8.415 0.006 1 747 67 67 VAL HA H 3.493 0.009 1 748 67 67 VAL HB H 1.872 0.005 1 749 67 67 VAL HG1 H 0.943 0.012 . 750 67 67 VAL HG2 H 0.275 0.007 . 751 67 67 VAL C C 178.131 0.000 1 752 67 67 VAL CA C 66.330 0.033 1 753 67 67 VAL CB C 31.230 0.074 1 754 67 67 VAL CG1 C 24.308 0.050 2 755 67 67 VAL CG2 C 20.585 0.038 2 756 67 67 VAL N N 117.971 0.021 1 757 68 68 VAL H H 8.284 0.008 1 758 68 68 VAL HA H 3.797 0.011 1 759 68 68 VAL HB H 1.875 0.008 1 760 68 68 VAL HG1 H 0.884 0.009 . 761 68 68 VAL HG2 H 0.779 0.010 . 762 68 68 VAL C C 178.344 0.000 1 763 68 68 VAL CA C 65.837 0.070 1 764 68 68 VAL CB C 30.811 0.083 1 765 68 68 VAL CG1 C 20.682 0.084 2 766 68 68 VAL CG2 C 23.123 0.043 2 767 68 68 VAL N N 112.690 0.043 1 768 69 69 GLN H H 7.610 0.005 1 769 69 69 GLN HA H 3.903 0.013 1 770 69 69 GLN HB2 H 2.001 0.007 2 771 69 69 GLN HB3 H 1.923 0.017 2 772 69 69 GLN HE21 H 7.341 0.007 2 773 69 69 GLN HE22 H 6.289 0.004 2 774 69 69 GLN HG2 H 2.486 0.008 2 775 69 69 GLN HG3 H 1.941 0.010 2 776 69 69 GLN C C 179.436 0.000 1 777 69 69 GLN CA C 59.699 0.066 1 778 69 69 GLN CB C 28.473 0.151 1 779 69 69 GLN CG C 34.557 0.058 1 780 69 69 GLN N N 120.289 0.048 1 781 69 69 GLN NE2 N 111.238 0.029 1 782 70 70 GLN H H 8.132 0.008 1 783 70 70 GLN HA H 3.935 0.009 1 784 70 70 GLN HB2 H 1.980 0.017 2 785 70 70 GLN HB3 H 1.936 0.002 2 786 70 70 GLN HE21 H 7.106 0.002 2 787 70 70 GLN HE22 H 6.733 0.003 2 788 70 70 GLN HG2 H 2.271 0.004 2 789 70 70 GLN HG3 H 2.159 0.006 2 790 70 70 GLN C C 178.576 0.000 1 791 70 70 GLN CA C 58.007 0.120 1 792 70 70 GLN CB C 28.646 0.195 1 793 70 70 GLN CG C 33.916 0.062 1 794 70 70 GLN N N 120.436 0.030 1 795 70 70 GLN NE2 N 112.971 0.059 1 796 71 71 ALA H H 8.955 0.006 1 797 71 71 ALA HA H 3.858 0.005 1 798 71 71 ALA HB H 1.680 0.009 . 799 71 71 ALA C C 179.240 0.000 1 800 71 71 ALA CA C 55.275 0.087 1 801 71 71 ALA CB C 18.509 0.081 1 802 71 71 ALA N N 121.664 0.012 1 803 72 72 LYS H H 7.779 0.009 1 804 72 72 LYS HA H 4.050 0.007 1 805 72 72 LYS HB2 H 1.868 0.007 2 806 72 72 LYS HB3 H 1.761 0.011 2 807 72 72 LYS HD2 H 1.578 0.014 2 808 72 72 LYS HD3 H 1.578 0.014 2 809 72 72 LYS HE2 H 3.019 0.014 2 810 72 72 LYS HE3 H 3.019 0.014 2 811 72 72 LYS HG2 H 1.439 0.010 2 812 72 72 LYS HG3 H 1.320 0.014 2 813 72 72 LYS C C 180.712 0.000 1 814 72 72 LYS CA C 59.344 0.122 1 815 72 72 LYS CB C 32.244 0.052 1 816 72 72 LYS CD C 29.814 0.165 1 817 72 72 LYS CE C 42.256 0.073 1 818 72 72 LYS CG C 25.035 0.034 1 819 72 72 LYS N N 118.589 0.032 1 820 73 73 GLY H H 7.716 0.005 1 821 73 73 GLY HA2 H 4.029 0.005 2 822 73 73 GLY HA3 H 3.879 0.008 2 823 73 73 GLY C C 175.189 0.000 1 824 73 73 GLY CA C 46.875 0.031 1 825 73 73 GLY N N 106.908 0.029 1 826 74 74 GLN H H 7.811 0.008 1 827 74 74 GLN HA H 4.325 0.008 1 828 74 74 GLN HB2 H 2.381 0.016 2 829 74 74 GLN HB3 H 2.381 0.016 2 830 74 74 GLN HE21 H 7.333 0.005 2 831 74 74 GLN HE22 H 6.794 0.003 2 832 74 74 GLN HG2 H 2.451 0.010 2 833 74 74 GLN HG3 H 2.356 0.004 2 834 74 74 GLN C C 174.464 0.000 1 835 74 74 GLN CA C 55.755 0.009 1 836 74 74 GLN CB C 29.682 0.096 1 837 74 74 GLN CG C 34.529 0.037 1 838 74 74 GLN N N 117.628 0.036 1 839 74 74 GLN NE2 N 111.208 0.020 1 840 75 75 LYS H H 7.815 0.003 1 841 75 75 LYS HA H 3.965 0.011 1 842 75 75 LYS HB2 H 2.124 0.004 2 843 75 75 LYS HB3 H 1.962 0.010 2 844 75 75 LYS HD2 H 1.727 0.006 2 845 75 75 LYS HD3 H 1.727 0.006 2 846 75 75 LYS HE2 H 3.012 0.000 2 847 75 75 LYS HE3 H 3.012 0.000 2 848 75 75 LYS HG2 H 1.353 0.011 2 849 75 75 LYS HG3 H 1.353 0.011 2 850 75 75 LYS C C 176.063 0.000 1 851 75 75 LYS CA C 57.683 0.128 1 852 75 75 LYS CB C 28.977 0.046 1 853 75 75 LYS CD C 29.343 0.023 1 854 75 75 LYS CE C 42.292 0.000 1 855 75 75 LYS CG C 25.038 0.037 1 856 75 75 LYS N N 116.021 0.043 1 857 76 76 ILE H H 8.542 0.009 1 858 76 76 ILE HA H 4.401 0.007 1 859 76 76 ILE HB H 1.910 0.006 1 860 76 76 ILE HD1 H 0.797 0.010 . 861 76 76 ILE HG12 H 1.489 0.007 2 862 76 76 ILE HG13 H 0.905 0.006 2 863 76 76 ILE HG2 H 1.074 0.006 . 864 76 76 ILE C C 177.538 0.000 1 865 76 76 ILE CA C 59.803 0.046 1 866 76 76 ILE CB C 37.405 0.063 1 867 76 76 ILE CD1 C 13.549 0.110 1 868 76 76 ILE CG1 C 26.769 0.121 1 869 76 76 ILE CG2 C 19.153 0.052 1 870 76 76 ILE N N 121.421 0.024 1 871 77 77 ILE H H 7.810 0.004 1 872 77 77 ILE HA H 4.169 0.010 1 873 77 77 ILE HB H 1.951 0.004 1 874 77 77 ILE HD1 H 0.888 0.004 . 875 77 77 ILE HG12 H 1.412 0.008 2 876 77 77 ILE HG13 H 1.313 0.007 2 877 77 77 ILE HG2 H 0.941 0.012 . 878 77 77 ILE CA C 62.852 0.041 1 879 77 77 ILE CB C 38.697 0.087 1 880 77 77 ILE CD1 C 13.529 0.040 1 881 77 77 ILE CG1 C 27.593 0.101 1 882 77 77 ILE CG2 C 17.824 0.052 1 883 77 77 ILE N N 122.978 0.037 1 884 78 78 GLN H H 9.535 0.007 1 885 78 78 GLN HA H 4.174 0.005 1 886 78 78 GLN HB2 H 1.901 0.006 2 887 78 78 GLN HB3 H 1.705 0.006 2 888 78 78 GLN HE21 H 7.719 0.004 2 889 78 78 GLN HE22 H 7.020 0.003 2 890 78 78 GLN HG2 H 2.672 0.005 2 891 78 78 GLN HG3 H 2.528 0.006 2 892 78 78 GLN C C 179.740 0.000 1 893 78 78 GLN CA C 60.074 0.104 1 894 78 78 GLN CB C 28.316 0.065 1 895 78 78 GLN CG C 34.634 0.056 1 896 78 78 GLN N N 120.348 0.037 1 897 78 78 GLN NE2 N 111.198 0.051 1 898 79 79 PHE H H 7.378 0.009 1 899 79 79 PHE HA H 4.432 0.010 1 900 79 79 PHE HB2 H 3.071 0.008 2 901 79 79 PHE HB3 H 2.915 0.012 2 902 79 79 PHE HD1 H 7.224 0.013 3 903 79 79 PHE HD2 H 7.224 0.013 3 904 79 79 PHE C C 178.154 0.000 1 905 79 79 PHE CA C 62.792 0.110 1 906 79 79 PHE CB C 39.651 0.052 1 907 79 79 PHE N N 114.743 0.036 1 908 80 80 GLN H H 8.236 0.010 1 909 80 80 GLN HA H 4.123 0.011 1 910 80 80 GLN HB2 H 2.491 0.012 2 911 80 80 GLN HB3 H 2.416 0.013 2 912 80 80 GLN HE21 H 7.882 0.007 2 913 80 80 GLN HE22 H 6.835 0.004 2 914 80 80 GLN HG2 H 2.378 0.015 2 915 80 80 GLN HG3 H 2.350 0.012 2 916 80 80 GLN C C 178.258 0.000 1 917 80 80 GLN CA C 60.014 0.076 1 918 80 80 GLN CB C 29.082 0.058 1 919 80 80 GLN CG C 35.233 0.028 1 920 80 80 GLN N N 120.779 0.050 1 921 80 80 GLN NE2 N 109.873 0.029 1 922 81 81 ASP H H 8.087 0.007 1 923 81 81 ASP HA H 4.468 0.007 1 924 81 81 ASP HB2 H 2.679 0.004 2 925 81 81 ASP HB3 H 2.679 0.004 2 926 81 81 ASP C C 179.347 0.000 1 927 81 81 ASP CA C 57.155 0.175 1 928 81 81 ASP CB C 41.239 0.065 1 929 81 81 ASP N N 118.438 0.018 1 930 82 82 SER H H 8.172 0.010 1 931 82 82 SER HA H 4.218 0.008 1 932 82 82 SER HB2 H 3.554 0.014 2 933 82 82 SER HB3 H 3.525 0.019 2 934 82 82 SER C C 177.358 0.000 1 935 82 82 SER CA C 62.810 0.073 1 936 82 82 SER CB C 62.594 0.022 1 937 82 82 SER N N 114.020 0.033 1 938 83 83 PHE H H 8.518 0.012 1 939 83 83 PHE HA H 4.376 0.008 1 940 83 83 PHE HB2 H 3.269 0.012 2 941 83 83 PHE HB3 H 2.855 0.009 2 942 83 83 PHE HD1 H 7.023 0.013 3 943 83 83 PHE HD2 H 7.023 0.013 3 944 83 83 PHE HE1 H 6.665 0.006 3 945 83 83 PHE HE2 H 6.665 0.006 3 946 83 83 PHE HZ H 6.573 0.007 1 947 83 83 PHE C C 178.354 0.000 1 948 83 83 PHE CA C 62.441 0.050 1 949 83 83 PHE CB C 37.756 0.163 1 950 83 83 PHE N N 118.434 0.087 1 951 84 84 GLY H H 8.069 0.005 1 952 84 84 GLY HA2 H 3.883 0.009 2 953 84 84 GLY HA3 H 2.795 0.008 2 954 84 84 GLY C C 174.478 0.000 1 955 84 84 GLY CA C 47.530 0.081 1 956 84 84 GLY N N 108.160 0.026 1 957 85 85 LYS H H 7.140 0.008 1 958 85 85 LYS HA H 4.122 0.011 1 959 85 85 LYS HB2 H 1.935 0.010 2 960 85 85 LYS HB3 H 1.980 0.018 2 961 85 85 LYS HD2 H 1.699 0.003 2 962 85 85 LYS HD3 H 1.699 0.003 2 963 85 85 LYS HE2 H 2.976 0.006 2 964 85 85 LYS HE3 H 2.976 0.006 2 965 85 85 LYS HG2 H 1.688 0.008 2 966 85 85 LYS HG3 H 1.516 0.004 2 967 85 85 LYS C C 177.984 0.000 1 968 85 85 LYS CA C 58.690 0.059 1 969 85 85 LYS CB C 33.386 0.022 1 970 85 85 LYS CD C 29.328 0.022 1 971 85 85 LYS CE C 42.138 0.039 1 972 85 85 LYS CG C 25.548 0.028 1 973 85 85 LYS N N 116.869 0.041 1 974 86 86 VAL H H 6.935 0.006 1 975 86 86 VAL HA H 5.053 0.007 1 976 86 86 VAL HB H 2.599 0.007 1 977 86 86 VAL HG1 H 0.975 0.015 . 978 86 86 VAL HG2 H 1.360 0.008 . 979 86 86 VAL C C 176.626 0.000 1 980 86 86 VAL CA C 60.288 0.092 1 981 86 86 VAL CB C 33.268 0.042 1 982 86 86 VAL CG1 C 21.631 0.050 2 983 86 86 VAL CG2 C 18.762 0.048 2 984 86 86 VAL N N 105.378 0.076 1 985 87 87 ALA H H 7.554 0.004 1 986 87 87 ALA HA H 3.979 0.005 1 987 87 87 ALA HB H 1.171 0.008 . 988 87 87 ALA C C 178.467 0.000 1 989 87 87 ALA CA C 56.783 0.046 1 990 87 87 ALA CB C 18.715 0.045 1 991 87 87 ALA N N 123.007 0.038 1 992 88 88 ALA H H 9.378 0.006 1 993 88 88 ALA HA H 3.839 0.007 1 994 88 88 ALA HB H 1.303 0.005 . 995 88 88 ALA C C 179.953 0.000 1 996 88 88 ALA CA C 56.864 0.042 1 997 88 88 ALA CB C 17.215 0.044 1 998 88 88 ALA N N 119.370 0.025 1 999 89 89 GLU H H 8.773 0.008 1 1000 89 89 GLU HA H 3.968 0.006 1 1001 89 89 GLU HB2 H 2.082 0.013 2 1002 89 89 GLU HB3 H 1.932 0.006 2 1003 89 89 GLU HG2 H 2.250 0.006 2 1004 89 89 GLU HG3 H 2.036 0.004 2 1005 89 89 GLU C C 179.249 0.000 1 1006 89 89 GLU CA C 58.963 0.040 1 1007 89 89 GLU CB C 29.537 0.045 1 1008 89 89 GLU CG C 35.588 0.055 1 1009 89 89 GLU N N 119.581 0.030 1 1010 90 90 VAL H H 7.720 0.006 1 1011 90 90 VAL HA H 3.489 0.008 1 1012 90 90 VAL HB H 2.068 0.006 1 1013 90 90 VAL HG1 H 1.038 0.011 . 1014 90 90 VAL HG2 H 0.475 0.012 . 1015 90 90 VAL C C 177.354 0.000 1 1016 90 90 VAL CA C 66.525 0.103 1 1017 90 90 VAL CB C 32.120 0.049 1 1018 90 90 VAL CG1 C 23.681 0.023 2 1019 90 90 VAL CG2 C 22.210 0.040 2 1020 90 90 VAL N N 116.038 0.052 1 1021 91 91 LEU H H 9.060 0.007 1 1022 91 91 LEU HA H 3.865 0.012 1 1023 91 91 LEU HB2 H 1.926 0.011 2 1024 91 91 LEU HB3 H 1.292 0.006 2 1025 91 91 LEU HD1 H 0.921 0.016 . 1026 91 91 LEU HD2 H 0.850 0.012 . 1027 91 91 LEU HG H 1.979 0.006 1 1028 91 91 LEU C C 178.552 0.000 1 1029 91 91 LEU CA C 58.600 0.047 1 1030 91 91 LEU CB C 39.760 0.049 1 1031 91 91 LEU CD1 C 25.044 0.032 2 1032 91 91 LEU CD2 C 24.248 0.016 2 1033 91 91 LEU CG C 29.138 0.075 1 1034 91 91 LEU N N 118.299 0.014 1 1035 92 92 GLY H H 8.135 0.011 1 1036 92 92 GLY HA2 H 3.889 0.005 2 1037 92 92 GLY HA3 H 3.564 0.007 2 1038 92 92 GLY C C 176.156 0.000 1 1039 92 92 GLY CA C 47.290 0.039 1 1040 92 92 GLY N N 103.662 0.015 1 1041 93 93 ARG H H 7.320 0.008 1 1042 93 93 ARG HA H 4.148 0.011 1 1043 93 93 ARG HB2 H 1.883 0.009 2 1044 93 93 ARG HB3 H 1.814 0.010 2 1045 93 93 ARG HD2 H 3.176 0.012 2 1046 93 93 ARG HD3 H 3.176 0.012 2 1047 93 93 ARG HG2 H 1.707 0.016 2 1048 93 93 ARG HG3 H 1.637 0.008 2 1049 93 93 ARG C C 179.984 0.000 1 1050 93 93 ARG CA C 58.194 0.022 1 1051 93 93 ARG CB C 29.311 0.037 1 1052 93 93 ARG CD C 42.025 0.054 1 1053 93 93 ARG CG C 26.651 0.051 1 1054 93 93 ARG N N 120.489 0.015 1 1055 94 94 ILE H H 8.448 0.004 1 1056 94 94 ILE HA H 3.815 0.006 1 1057 94 94 ILE HB H 1.147 0.008 1 1058 94 94 ILE HD1 H 0.578 0.011 . 1059 94 94 ILE HG12 H 1.530 0.009 2 1060 94 94 ILE HG13 H 0.774 0.005 2 1061 94 94 ILE HG2 H 0.610 0.013 . 1062 94 94 ILE C C 177.261 0.000 1 1063 94 94 ILE CA C 64.503 0.046 1 1064 94 94 ILE CB C 35.640 0.043 1 1065 94 94 ILE CD1 C 13.916 0.069 1 1066 94 94 ILE CG1 C 25.221 0.068 1 1067 94 94 ILE CG2 C 17.676 0.085 1 1068 94 94 ILE N N 114.429 0.026 1 1069 95 95 ASN H H 7.684 0.007 1 1070 95 95 ASN HA H 4.094 0.013 1 1071 95 95 ASN HB2 H 2.718 0.007 2 1072 95 95 ASN HB3 H 2.718 0.007 2 1073 95 95 ASN HD21 H 6.789 0.008 2 1074 95 95 ASN HD22 H 7.684 0.003 2 1075 95 95 ASN C C 176.707 0.000 1 1076 95 95 ASN CA C 56.911 0.024 1 1077 95 95 ASN CB C 39.769 0.126 1 1078 95 95 ASN N N 118.094 0.061 1 1079 95 95 ASN ND2 N 114.113 0.041 1 1080 96 96 GLN H H 6.985 0.007 1 1081 96 96 GLN HA H 4.100 0.003 1 1082 96 96 GLN HB2 H 2.210 0.015 2 1083 96 96 GLN HB3 H 2.210 0.015 2 1084 96 96 GLN HE21 H 7.444 0.002 2 1085 96 96 GLN HE22 H 6.840 0.006 2 1086 96 96 GLN HG2 H 2.603 0.007 2 1087 96 96 GLN HG3 H 2.426 0.006 2 1088 96 96 GLN C C 177.430 0.000 1 1089 96 96 GLN CA C 57.577 0.165 1 1090 96 96 GLN CB C 28.903 0.060 1 1091 96 96 GLN CG C 33.933 0.039 1 1092 96 96 GLN N N 112.378 0.043 1 1093 96 96 GLN NE2 N 112.084 0.029 1 1094 97 97 GLU H H 7.281 0.006 1 1095 97 97 GLU HA H 4.252 0.005 1 1096 97 97 GLU HB2 H 2.069 0.014 2 1097 97 97 GLU HB3 H 2.018 0.004 2 1098 97 97 GLU HG2 H 2.320 0.011 2 1099 97 97 GLU HG3 H 2.233 0.005 2 1100 97 97 GLU C C 177.300 0.000 1 1101 97 97 GLU CA C 56.810 0.027 1 1102 97 97 GLU CB C 31.056 0.059 1 1103 97 97 GLU CG C 36.055 0.053 1 1104 97 97 GLU N N 116.888 0.027 1 1105 98 98 PHE H H 7.988 0.006 1 1106 98 98 PHE HA H 4.981 0.006 1 1107 98 98 PHE HB2 H 3.347 0.010 2 1108 98 98 PHE HB3 H 3.166 0.013 2 1109 98 98 PHE HD1 H 6.963 0.006 3 1110 98 98 PHE HD2 H 6.963 0.006 3 1111 98 98 PHE HE1 H 7.126 0.009 3 1112 98 98 PHE HE2 H 7.126 0.009 3 1113 98 98 PHE HZ H 6.737 0.008 1 1114 98 98 PHE CA C 52.526 0.088 1 1115 98 98 PHE CB C 37.893 0.026 1 1116 98 98 PHE N N 120.816 0.046 1 1117 99 99 PRO HA H 4.827 0.008 1 1118 99 99 PRO HB2 H 2.499 0.007 2 1119 99 99 PRO HB3 H 2.294 0.011 2 1120 99 99 PRO HD2 H 4.110 0.013 2 1121 99 99 PRO HD3 H 3.466 0.008 2 1122 99 99 PRO HG2 H 2.223 0.008 2 1123 99 99 PRO HG3 H 2.019 0.011 2 1124 99 99 PRO CA C 61.746 0.000 1 1125 99 99 PRO CB C 32.548 0.050 1 1126 99 99 PRO CD C 50.534 0.075 1 1127 99 99 PRO CG C 27.540 0.120 1 1128 100 100 ARG HA H 3.852 0.003 1 1129 100 100 ARG HB2 H 2.032 0.016 2 1130 100 100 ARG HB3 H 1.923 0.012 2 1131 100 100 ARG HD2 H 3.256 0.009 2 1132 100 100 ARG HD3 H 3.256 0.009 2 1133 100 100 ARG HG2 H 1.804 0.010 2 1134 100 100 ARG HG3 H 1.665 0.010 2 1135 100 100 ARG C C 178.007 0.000 1 1136 100 100 ARG CA C 60.748 0.106 1 1137 100 100 ARG CB C 30.445 0.136 1 1138 100 100 ARG CD C 43.357 0.151 1 1139 100 100 ARG CG C 27.202 0.097 1 1140 101 101 ASP H H 9.159 0.005 1 1141 101 101 ASP HA H 4.387 0.009 1 1142 101 101 ASP HB2 H 2.695 0.005 2 1143 101 101 ASP HB3 H 2.603 0.005 2 1144 101 101 ASP C C 178.728 0.000 1 1145 101 101 ASP CA C 57.019 0.031 1 1146 101 101 ASP CB C 39.472 0.070 1 1147 101 101 ASP N N 116.308 0.019 1 1148 102 102 LEU H H 7.347 0.004 1 1149 102 102 LEU HA H 4.152 0.010 1 1150 102 102 LEU HB2 H 1.236 0.005 2 1151 102 102 LEU HB3 H 0.948 0.009 2 1152 102 102 LEU HD1 H 0.495 0.012 . 1153 102 102 LEU HD2 H 0.456 0.012 . 1154 102 102 LEU HG H 1.483 0.013 1 1155 102 102 LEU C C 179.315 0.000 1 1156 102 102 LEU CA C 57.136 0.116 1 1157 102 102 LEU CB C 40.334 0.046 1 1158 102 102 LEU CD1 C 24.488 0.059 2 1159 102 102 LEU CD2 C 23.614 0.079 2 1160 102 102 LEU CG C 28.399 0.019 1 1161 102 102 LEU N N 120.283 0.034 1 1162 103 103 LYS H H 8.616 0.008 1 1163 103 103 LYS HA H 4.162 0.007 1 1164 103 103 LYS HB2 H 2.070 0.013 2 1165 103 103 LYS HB3 H 2.070 0.013 2 1166 103 103 LYS HE2 H 3.099 0.016 2 1167 103 103 LYS HE3 H 3.095 0.014 2 1168 103 103 LYS HG2 H 1.715 0.014 2 1169 103 103 LYS HG3 H 1.666 0.007 2 1170 103 103 LYS C C 179.861 0.000 1 1171 103 103 LYS CA C 61.191 0.061 1 1172 103 103 LYS CB C 33.231 0.140 1 1173 103 103 LYS CE C 42.401 0.013 1 1174 103 103 LYS CG C 25.558 0.007 1 1175 103 103 LYS N N 122.408 0.031 1 1176 104 104 LYS H H 7.618 0.006 1 1177 104 104 LYS HA H 4.181 0.014 1 1178 104 104 LYS HB2 H 1.979 0.012 2 1179 104 104 LYS HB3 H 1.979 0.012 2 1180 104 104 LYS HD2 H 1.743 0.011 2 1181 104 104 LYS HD3 H 1.743 0.011 2 1182 104 104 LYS HE2 H 2.997 0.000 2 1183 104 104 LYS HE3 H 2.997 0.000 2 1184 104 104 LYS HG2 H 1.507 0.006 2 1185 104 104 LYS HG3 H 1.507 0.006 2 1186 104 104 LYS C C 179.686 0.000 1 1187 104 104 LYS CA C 59.399 0.035 1 1188 104 104 LYS CB C 32.123 0.040 1 1189 104 104 LYS CD C 29.309 0.013 1 1190 104 104 LYS CE C 42.196 0.000 1 1191 104 104 LYS CG C 25.116 0.012 1 1192 104 104 LYS N N 117.837 0.039 1 1193 105 105 LYS H H 7.175 0.005 1 1194 105 105 LYS HA H 4.162 0.005 1 1195 105 105 LYS HB2 H 2.065 0.014 2 1196 105 105 LYS HB3 H 2.065 0.014 2 1197 105 105 LYS HD2 H 1.850 0.007 2 1198 105 105 LYS HD3 H 1.850 0.007 2 1199 105 105 LYS HE2 H 3.008 0.015 2 1200 105 105 LYS HE3 H 2.994 0.002 2 1201 105 105 LYS HG2 H 1.722 0.006 2 1202 105 105 LYS HG3 H 1.611 0.014 2 1203 105 105 LYS C C 179.266 0.000 1 1204 105 105 LYS CA C 59.441 0.082 1 1205 105 105 LYS CB C 32.459 0.170 1 1206 105 105 LYS CD C 29.341 0.028 1 1207 105 105 LYS CE C 42.301 0.015 1 1208 105 105 LYS CG C 26.011 0.149 1 1209 105 105 LYS N N 119.303 0.032 1 1210 106 106 LEU H H 8.303 0.008 1 1211 106 106 LEU HA H 4.031 0.012 1 1212 106 106 LEU HB2 H 1.726 0.006 2 1213 106 106 LEU HB3 H 2.257 0.005 2 1214 106 106 LEU HD1 H 0.899 0.015 . 1215 106 106 LEU HD2 H 0.899 0.015 . 1216 106 106 LEU HG H 1.643 0.004 1 1217 106 106 LEU C C 178.275 0.000 1 1218 106 106 LEU CA C 59.235 0.126 1 1219 106 106 LEU CB C 41.521 0.026 1 1220 106 106 LEU CD1 C 25.776 0.133 2 1221 106 106 LEU CG C 27.529 0.079 1 1222 106 106 LEU N N 121.568 0.039 1 1223 107 107 SER H H 8.558 0.010 1 1224 107 107 SER HA H 4.014 0.004 1 1225 107 107 SER HB2 H 4.017 0.003 2 1226 107 107 SER HB3 H 4.017 0.003 2 1227 107 107 SER C C 176.386 0.000 1 1228 107 107 SER CA C 62.488 0.176 1 1229 107 107 SER CB C 62.349 0.000 1 1230 107 107 SER N N 115.355 0.102 1 1231 108 108 ARG H H 7.617 0.004 1 1232 108 108 ARG HA H 4.167 0.006 1 1233 108 108 ARG HB2 H 2.061 0.007 2 1234 108 108 ARG HB3 H 2.061 0.007 2 1235 108 108 ARG HD2 H 3.260 0.005 2 1236 108 108 ARG HD3 H 3.260 0.005 2 1237 108 108 ARG HG2 H 1.827 0.010 2 1238 108 108 ARG HG3 H 1.720 0.008 2 1239 108 108 ARG C C 178.724 0.000 1 1240 108 108 ARG CA C 59.434 0.069 1 1241 108 108 ARG CB C 29.660 0.061 1 1242 108 108 ARG CD C 43.291 0.055 1 1243 108 108 ARG CG C 27.304 0.038 1 1244 108 108 ARG N N 121.026 0.022 1 1245 109 109 VAL H H 7.667 0.003 1 1246 109 109 VAL HA H 3.658 0.008 1 1247 109 109 VAL HB H 2.448 0.006 1 1248 109 109 VAL HG1 H 1.214 0.006 . 1249 109 109 VAL HG2 H 0.905 0.008 . 1250 109 109 VAL C C 178.480 0.000 1 1251 109 109 VAL CA C 66.544 0.035 1 1252 109 109 VAL CB C 31.484 0.059 1 1253 109 109 VAL CG1 C 22.980 0.041 2 1254 109 109 VAL CG2 C 20.602 0.066 2 1255 109 109 VAL N N 119.530 0.052 1 1256 110 110 VAL H H 8.388 0.009 1 1257 110 110 VAL HA H 3.465 0.004 1 1258 110 110 VAL HB H 2.226 0.009 1 1259 110 110 VAL HG1 H 1.031 0.018 . 1260 110 110 VAL HG2 H 0.924 0.010 . 1261 110 110 VAL C C 177.130 0.000 1 1262 110 110 VAL CA C 67.686 0.078 1 1263 110 110 VAL CB C 31.229 0.077 1 1264 110 110 VAL CG1 C 24.279 0.010 2 1265 110 110 VAL CG2 C 21.281 0.120 2 1266 110 110 VAL N N 119.477 0.042 1 1267 111 111 ASN H H 8.213 0.008 1 1268 111 111 ASN HA H 4.452 0.008 1 1269 111 111 ASN HB2 H 2.939 0.011 2 1270 111 111 ASN HB3 H 2.876 0.012 2 1271 111 111 ASN HD21 H 7.527 0.005 2 1272 111 111 ASN HD22 H 6.969 0.002 2 1273 111 111 ASN C C 177.972 0.000 1 1274 111 111 ASN CA C 56.748 0.124 1 1275 111 111 ASN CB C 38.224 0.024 1 1276 111 111 ASN N N 117.453 0.045 1 1277 111 111 ASN ND2 N 112.495 0.030 1 1278 112 112 ILE H H 7.887 0.004 1 1279 112 112 ILE HA H 3.870 0.009 1 1280 112 112 ILE HB H 2.017 0.011 1 1281 112 112 ILE HD1 H 0.823 0.007 . 1282 112 112 ILE HG12 H 1.143 0.008 2 1283 112 112 ILE HG13 H 1.710 0.014 2 1284 112 112 ILE HG2 H 0.879 0.012 . 1285 112 112 ILE C C 177.735 0.000 1 1286 112 112 ILE CA C 64.763 0.032 1 1287 112 112 ILE CB C 37.716 0.088 1 1288 112 112 ILE CD1 C 13.303 0.063 1 1289 112 112 ILE CG1 C 29.167 0.108 1 1290 112 112 ILE CG2 C 17.528 0.055 1 1291 112 112 ILE N N 122.100 0.038 1 1292 113 113 LEU H H 8.244 0.009 1 1293 113 113 LEU HA H 3.746 0.005 1 1294 113 113 LEU HB2 H 2.172 0.010 2 1295 113 113 LEU HB3 H 1.100 0.010 2 1296 113 113 LEU HD1 H 0.816 0.011 . 1297 113 113 LEU HD2 H 0.673 0.006 . 1298 113 113 LEU HG H 2.061 0.008 1 1299 113 113 LEU C C 180.421 0.000 1 1300 113 113 LEU CA C 58.080 0.052 1 1301 113 113 LEU CB C 41.684 0.053 1 1302 113 113 LEU CD1 C 25.789 0.089 2 1303 113 113 LEU CD2 C 23.446 0.155 2 1304 113 113 LEU CG C 25.953 0.049 1 1305 113 113 LEU N N 120.259 0.039 1 1306 114 114 LYS H H 8.286 0.004 1 1307 114 114 LYS HA H 4.047 0.009 1 1308 114 114 LYS HB2 H 2.043 0.010 2 1309 114 114 LYS HB3 H 1.894 0.005 2 1310 114 114 LYS HG2 H 1.677 0.011 2 1311 114 114 LYS HG3 H 1.367 0.003 2 1312 114 114 LYS C C 179.925 0.000 1 1313 114 114 LYS CA C 59.659 0.000 1 1314 114 114 LYS CB C 32.931 0.077 1 1315 114 114 LYS CG C 25.014 0.024 1 1316 114 114 LYS N N 118.403 0.044 1 1317 115 115 GLU H H 8.581 0.003 1 1318 115 115 GLU HA H 4.028 0.011 1 1319 115 115 GLU HB2 H 2.176 0.007 2 1320 115 115 GLU HB3 H 2.095 0.012 2 1321 115 115 GLU HG2 H 2.393 0.006 2 1322 115 115 GLU HG3 H 2.300 0.000 2 1323 115 115 GLU C C 178.448 0.000 1 1324 115 115 GLU CA C 59.027 0.000 1 1325 115 115 GLU CB C 29.945 0.035 1 1326 115 115 GLU CG C 36.275 0.011 1 1327 115 115 GLU N N 121.273 0.037 1 1328 116 116 ARG H H 7.920 0.007 1 1329 116 116 ARG HA H 4.298 0.007 1 1330 116 116 ARG HB2 H 1.989 0.017 2 1331 116 116 ARG HB3 H 1.595 0.011 2 1332 116 116 ARG HD2 H 3.074 0.006 2 1333 116 116 ARG HD3 H 2.951 0.012 2 1334 116 116 ARG HG2 H 1.659 0.008 2 1335 116 116 ARG HG3 H 1.766 0.008 2 1336 116 116 ARG C C 175.220 0.000 1 1337 116 116 ARG CA C 55.495 0.121 1 1338 116 116 ARG CB C 29.699 0.070 1 1339 116 116 ARG CD C 43.184 0.085 1 1340 116 116 ARG CG C 27.741 0.013 1 1341 116 116 ARG N N 113.888 0.028 1 1342 117 117 ASN H H 7.874 0.004 1 1343 117 117 ASN HA H 4.467 0.007 1 1344 117 117 ASN HB2 H 2.949 0.004 2 1345 117 117 ASN HB3 H 2.668 0.004 2 1346 117 117 ASN HD21 H 7.485 0.009 2 1347 117 117 ASN HD22 H 6.808 0.002 2 1348 117 117 ASN C C 174.587 0.000 1 1349 117 117 ASN CA C 54.164 0.052 1 1350 117 117 ASN CB C 36.833 0.024 1 1351 117 117 ASN N N 115.761 0.040 1 1352 117 117 ASN ND2 N 112.950 0.022 1 1353 118 118 ILE H H 7.594 0.004 1 1354 118 118 ILE HA H 3.458 0.003 1 1355 118 118 ILE HB H 1.256 0.013 1 1356 118 118 ILE HD1 H 0.496 0.005 . 1357 118 118 ILE HG12 H 1.307 0.003 2 1358 118 118 ILE HG13 H 1.115 0.008 2 1359 118 118 ILE HG2 H 0.035 0.006 . 1360 118 118 ILE C C 176.178 0.000 1 1361 118 118 ILE CA C 61.626 0.048 1 1362 118 118 ILE CB C 36.839 0.051 1 1363 118 118 ILE CD1 C 10.451 0.082 1 1364 118 118 ILE CG1 C 27.644 0.052 1 1365 118 118 ILE CG2 C 16.705 0.059 1 1366 118 118 ILE N N 117.038 0.029 1 1367 119 119 PHE H H 8.037 0.012 1 1368 119 119 PHE HA H 5.273 0.006 1 1369 119 119 PHE HB2 H 2.653 0.007 2 1370 119 119 PHE HB3 H 3.437 0.010 2 1371 119 119 PHE HD1 H 7.230 0.015 3 1372 119 119 PHE HD2 H 7.230 0.015 3 1373 119 119 PHE HE1 H 7.216 0.009 3 1374 119 119 PHE HE2 H 7.216 0.009 3 1375 119 119 PHE HZ H 7.019 0.009 1 1376 119 119 PHE C C 175.184 0.000 1 1377 119 119 PHE CA C 53.566 0.052 1 1378 119 119 PHE CB C 42.409 0.052 1 1379 119 119 PHE N N 115.135 0.041 1 1380 120 120 SER H H 8.663 0.010 1 1381 120 120 SER HA H 4.380 0.006 1 1382 120 120 SER HB2 H 4.377 0.006 2 1383 120 120 SER HB3 H 4.131 0.003 2 1384 120 120 SER C C 174.190 0.000 1 1385 120 120 SER CA C 57.498 0.033 1 1386 120 120 SER CB C 64.728 0.038 1 1387 120 120 SER N N 115.936 0.035 1 1388 121 121 LYS H H 8.766 0.006 1 1389 121 121 LYS HA H 3.971 0.013 1 1390 121 121 LYS HB2 H 1.894 0.004 2 1391 121 121 LYS HB3 H 1.818 0.012 2 1392 121 121 LYS HD2 H 1.730 0.010 2 1393 121 121 LYS HD3 H 1.730 0.010 2 1394 121 121 LYS HE2 H 3.022 0.000 2 1395 121 121 LYS HE3 H 3.022 0.000 2 1396 121 121 LYS HG2 H 1.594 0.009 2 1397 121 121 LYS HG3 H 1.505 0.009 2 1398 121 121 LYS C C 178.902 0.000 1 1399 121 121 LYS CA C 59.275 0.156 1 1400 121 121 LYS CB C 31.990 0.029 1 1401 121 121 LYS CD C 29.256 0.021 1 1402 121 121 LYS CE C 42.278 0.000 1 1403 121 121 LYS CG C 24.822 0.030 1 1404 121 121 LYS N N 121.068 0.031 1 1405 122 122 GLN H H 8.369 0.012 1 1406 122 122 GLN HA H 3.992 0.007 1 1407 122 122 GLN HB2 H 2.160 0.011 2 1408 122 122 GLN HB3 H 1.963 0.006 2 1409 122 122 GLN HE21 H 7.768 0.008 2 1410 122 122 GLN HE22 H 6.900 0.003 2 1411 122 122 GLN HG2 H 2.418 0.018 2 1412 122 122 GLN HG3 H 2.394 0.008 2 1413 122 122 GLN C C 177.851 0.000 1 1414 122 122 GLN CA C 59.073 0.067 1 1415 122 122 GLN CB C 28.363 0.069 1 1416 122 122 GLN CG C 33.692 0.065 1 1417 122 122 GLN N N 117.832 0.054 1 1418 122 122 GLN NE2 N 114.608 0.041 1 1419 123 123 VAL H H 7.437 0.003 1 1420 123 123 VAL HA H 3.700 0.006 1 1421 123 123 VAL HB H 2.225 0.008 1 1422 123 123 VAL HG1 H 0.664 0.012 . 1423 123 123 VAL HG2 H 0.935 0.007 . 1424 123 123 VAL CA C 66.481 0.055 1 1425 123 123 VAL CB C 31.688 0.029 1 1426 123 123 VAL CG1 C 21.817 0.049 2 1427 123 123 VAL CG2 C 23.167 0.052 2 1428 123 123 VAL N N 121.119 0.032 1 1429 124 124 VAL H H 8.406 0.011 1 1430 124 124 VAL HA H 3.462 0.007 1 1431 124 124 VAL HB H 2.169 0.012 1 1432 124 124 VAL HG1 H 0.951 0.006 . 1433 124 124 VAL HG2 H 1.108 0.010 . 1434 124 124 VAL C C 179.094 1.228 1 1435 124 124 VAL CA C 67.829 0.065 1 1436 124 124 VAL CB C 31.246 0.033 1 1437 124 124 VAL CG1 C 21.725 0.037 2 1438 124 124 VAL CG2 C 24.072 0.040 2 1439 124 124 VAL N N 119.469 0.060 1 1440 125 125 ASN H H 8.335 0.007 1 1441 125 125 ASN HA H 4.479 0.006 1 1442 125 125 ASN HB2 H 2.939 0.007 2 1443 125 125 ASN HB3 H 2.868 0.010 2 1444 125 125 ASN HD21 H 7.620 0.002 2 1445 125 125 ASN HD22 H 6.890 0.002 2 1446 125 125 ASN C C 177.869 0.000 1 1447 125 125 ASN CA C 56.496 0.026 1 1448 125 125 ASN CB C 38.259 0.048 1 1449 125 125 ASN N N 118.480 0.048 1 1450 125 125 ASN ND2 N 111.772 0.017 1 1451 126 126 ASP H H 8.325 0.006 1 1452 126 126 ASP HA H 4.407 0.008 1 1453 126 126 ASP HB2 H 2.991 0.007 2 1454 126 126 ASP HB3 H 2.522 0.008 2 1455 126 126 ASP C C 179.827 0.000 1 1456 126 126 ASP CA C 57.441 0.163 1 1457 126 126 ASP CB C 39.674 0.028 1 1458 126 126 ASP N N 121.987 0.014 1 1459 127 127 ILE H H 9.026 0.007 1 1460 127 127 ILE HA H 3.458 0.006 1 1461 127 127 ILE HB H 2.139 0.012 1 1462 127 127 ILE HD1 H 0.705 0.008 . 1463 127 127 ILE HG12 H 2.059 0.008 2 1464 127 127 ILE HG13 H 0.518 0.008 2 1465 127 127 ILE HG2 H 0.828 0.004 . 1466 127 127 ILE C C 177.584 0.000 1 1467 127 127 ILE CA C 66.356 0.029 1 1468 127 127 ILE CB C 38.270 0.052 1 1469 127 127 ILE CD1 C 14.417 0.063 1 1470 127 127 ILE CG1 C 28.223 0.055 1 1471 127 127 ILE CG2 C 17.995 0.109 1 1472 127 127 ILE N N 123.613 0.030 1 1473 128 128 GLU H H 8.699 0.004 1 1474 128 128 GLU HA H 3.858 0.012 1 1475 128 128 GLU HB2 H 2.252 0.009 2 1476 128 128 GLU HB3 H 1.997 0.007 2 1477 128 128 GLU HG2 H 2.591 0.006 2 1478 128 128 GLU HG3 H 2.079 0.005 2 1479 128 128 GLU C C 177.775 0.000 1 1480 128 128 GLU CA C 60.651 0.098 1 1481 128 128 GLU CB C 29.245 0.038 1 1482 128 128 GLU CG C 37.343 0.050 1 1483 128 128 GLU N N 118.683 0.018 1 1484 129 129 ARG H H 8.372 0.011 1 1485 129 129 ARG HA H 4.082 0.008 1 1486 129 129 ARG HB2 H 1.947 0.013 2 1487 129 129 ARG HB3 H 1.947 0.013 2 1488 129 129 ARG HD2 H 3.228 0.009 2 1489 129 129 ARG HD3 H 3.228 0.009 2 1490 129 129 ARG HG2 H 1.802 0.016 2 1491 129 129 ARG HG3 H 1.650 0.004 2 1492 129 129 ARG C C 179.180 0.000 1 1493 129 129 ARG CA C 59.305 0.059 1 1494 129 129 ARG CB C 30.159 0.110 1 1495 129 129 ARG CD C 43.150 0.011 1 1496 129 129 ARG CG C 27.490 0.036 1 1497 129 129 ARG N N 119.604 0.035 1 1498 130 130 SER H H 8.093 0.005 1 1499 130 130 SER HA H 4.261 0.013 1 1500 130 130 SER HB2 H 4.016 0.009 2 1501 130 130 SER HB3 H 3.926 0.015 2 1502 130 130 SER C C 177.539 0.000 1 1503 130 130 SER CA C 61.371 0.042 1 1504 130 130 SER CB C 63.092 0.051 1 1505 130 130 SER N N 116.574 0.022 1 1506 131 131 LEU H H 8.187 0.006 1 1507 131 131 LEU HA H 4.183 0.007 1 1508 131 131 LEU HB2 H 1.822 0.007 2 1509 131 131 LEU HB3 H 1.533 0.006 2 1510 131 131 LEU HD1 H 0.821 0.010 . 1511 131 131 LEU HD2 H 0.679 0.004 . 1512 131 131 LEU HG H 1.868 0.008 1 1513 131 131 LEU C C 178.238 0.000 1 1514 131 131 LEU CA C 56.939 0.085 1 1515 131 131 LEU CB C 41.263 0.061 1 1516 131 131 LEU CD1 C 25.923 0.023 2 1517 131 131 LEU CD2 C 23.303 0.108 2 1518 131 131 LEU CG C 26.953 0.034 1 1519 131 131 LEU N N 121.355 0.030 1 1520 132 132 ALA H H 7.523 0.005 1 1521 132 132 ALA HA H 4.201 0.005 1 1522 132 132 ALA HB H 1.462 0.014 . 1523 132 132 ALA C C 178.509 0.000 1 1524 132 132 ALA CA C 53.311 0.030 1 1525 132 132 ALA CB C 18.604 0.080 1 1526 132 132 ALA N N 120.895 0.024 1 1527 133 133 ALA H H 7.678 0.004 1 1528 133 133 ALA HA H 4.203 0.004 1 1529 133 133 ALA HB H 1.441 0.013 . 1530 133 133 ALA C C 178.034 0.000 1 1531 133 133 ALA CA C 53.330 0.105 1 1532 133 133 ALA CB C 18.806 0.040 1 1533 133 133 ALA N N 121.258 0.043 1 1534 134 134 ALA H H 7.786 0.002 1 1535 134 134 ALA HA H 4.275 0.003 1 1536 134 134 ALA HB H 1.421 0.010 . 1537 134 134 ALA C C 177.922 0.000 1 1538 134 134 ALA CA C 52.700 0.041 1 1539 134 134 ALA CB C 18.997 0.089 1 1540 134 134 ALA N N 121.023 0.029 1 1541 135 135 LEU H H 7.893 0.007 1 1542 135 135 LEU HA H 4.279 0.010 1 1543 135 135 LEU HB2 H 1.654 0.007 2 1544 135 135 LEU HB3 H 1.539 0.009 2 1545 135 135 LEU HD1 H 0.911 0.000 . 1546 135 135 LEU HD2 H 0.851 0.012 . 1547 135 135 LEU HG H 1.641 0.001 1 1548 135 135 LEU C C 177.549 0.000 1 1549 135 135 LEU CA C 55.247 0.079 1 1550 135 135 LEU CB C 42.269 0.000 1 1551 135 135 LEU CD1 C 25.202 0.000 2 1552 135 135 LEU CD2 C 23.382 0.000 2 1553 135 135 LEU CG C 26.860 0.116 1 1554 135 135 LEU N N 119.970 0.006 1 1555 136 136 GLU H H 8.116 0.008 1 1556 136 136 GLU HA H 4.184 0.004 1 1557 136 136 GLU HB2 H 1.917 0.021 2 1558 136 136 GLU HB3 H 1.887 0.007 2 1559 136 136 GLU HG2 H 2.225 0.005 2 1560 136 136 GLU HG3 H 2.135 0.011 2 1561 136 136 GLU C C 176.237 0.000 1 1562 136 136 GLU CA C 56.538 0.029 1 1563 136 136 GLU CB C 30.356 0.007 1 1564 136 136 GLU CG C 36.233 0.093 1 1565 136 136 GLU N N 120.780 0.029 1 1566 137 137 HIS H H 8.252 0.011 1 1567 137 137 HIS C C 174.003 0.000 1 1568 137 137 HIS N N 119.790 0.020 1 1569 138 138 HIS H H 8.134 0.018 1 1570 138 138 HIS N N 125.517 0.000 1 stop_ save_