data_18712 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; b-flap domain of RNA polymerase (B. subtilis) ; _BMRB_accession_number 18712 _BMRB_flat_file_name bmr18712.str _Entry_type original _Submission_date 2012-09-12 _Accession_date 2012-09-12 _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 Mobli Mehdi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 738 "13C chemical shifts" 409 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-10 original author . stop_ _Original_release_date 2014-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NusA binding to the b-flap tip of RNA polymerase determined by NMR.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mobli Mehdi . . 2 Yang Xiao . . 3 Ma Cong . . 4 Thomas Rhiannon . . 5 King Glenn . . 6 Lewis Peter . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'b-flap domain of RNA polymerase (B. subtilis)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'b-flap domain of RNA polymerase (B. subtilis)' $b-flap 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_b-flap _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common b-flap _Molecular_mass 15446.424 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MDDVYTSIHIEEYESEARDT KLGPEEITRDIPNVGEDALR NLDDRGVIRIGAEVKDGDLL VGKVTPKGVTELTAEERLLH AIFGEKAREVRDTSLRVPHG GGGIIHDVKVFNREDGDELP PGVNQLVRVYIVQKRKISEG DGTHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ASP 4 VAL 5 TYR 6 THR 7 SER 8 ILE 9 HIS 10 ILE 11 GLU 12 GLU 13 TYR 14 GLU 15 SER 16 GLU 17 ALA 18 ARG 19 ASP 20 THR 21 LYS 22 LEU 23 GLY 24 PRO 25 GLU 26 GLU 27 ILE 28 THR 29 ARG 30 ASP 31 ILE 32 PRO 33 ASN 34 VAL 35 GLY 36 GLU 37 ASP 38 ALA 39 LEU 40 ARG 41 ASN 42 LEU 43 ASP 44 ASP 45 ARG 46 GLY 47 VAL 48 ILE 49 ARG 50 ILE 51 GLY 52 ALA 53 GLU 54 VAL 55 LYS 56 ASP 57 GLY 58 ASP 59 LEU 60 LEU 61 VAL 62 GLY 63 LYS 64 VAL 65 THR 66 PRO 67 LYS 68 GLY 69 VAL 70 THR 71 GLU 72 LEU 73 THR 74 ALA 75 GLU 76 GLU 77 ARG 78 LEU 79 LEU 80 HIS 81 ALA 82 ILE 83 PHE 84 GLY 85 GLU 86 LYS 87 ALA 88 ARG 89 GLU 90 VAL 91 ARG 92 ASP 93 THR 94 SER 95 LEU 96 ARG 97 VAL 98 PRO 99 HIS 100 GLY 101 GLY 102 GLY 103 GLY 104 ILE 105 ILE 106 HIS 107 ASP 108 VAL 109 LYS 110 VAL 111 PHE 112 ASN 113 ARG 114 GLU 115 ASP 116 GLY 117 ASP 118 GLU 119 LEU 120 PRO 121 PRO 122 GLY 123 VAL 124 ASN 125 GLN 126 LEU 127 VAL 128 ARG 129 VAL 130 TYR 131 ILE 132 VAL 133 GLN 134 LYS 135 ARG 136 LYS 137 ILE 138 SER 139 GLU 140 GLY 141 ASP 142 GLY 143 THR 144 HIS 145 HIS 146 HIS 147 HIS 148 HIS 149 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LY7 "B-flap Domain Of Rna Polymerase (b. Subtilis)" 100.00 149 100.00 100.00 2.25e-99 GB AFQ00666 "RNA polymerase beta-subunit, partial [Bacillus altitudinis]" 90.60 385 98.52 100.00 1.85e-85 GB AFQ00667 "RNA polymerase beta-subunit, partial [Bacillus pumilus]" 90.60 385 98.52 100.00 1.21e-85 GB AGO57771 "DNA-directed RNA polymerase subunit beta, partial [Bacillus licheniformis]" 87.25 299 96.92 99.23 2.31e-81 GB AHZ90577 "RNA polymerase beta-subunit, partial [Bacillus altitudinis]" 82.55 373 98.37 100.00 1.22e-76 GB AHZ90582 "RNA polymerase beta-subunit, partial [Bacillus pumilus]" 90.60 385 98.52 100.00 1.21e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $b-flap 'B. subtilis' 1423 Bacteria . Bacillus subtilis 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 $b-flap 'recombinant technology' . Escherichia coli BL21 pET 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 $b-flap 500 uM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_RNMRTK _Saveframe_category software _Name RNMRTK _Version 3 loop_ _Vendor _Address _Electronic_address 'Jeff Hoch, Alan Stern' . . stop_ loop_ _Task processing stop_ _Details 'Rowland NMR Toolkit' save_ save_TALOS _Saveframe_category software _Name TALOS _Version + loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Dihedral angle generation' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details +Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . 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 'data was reference to water at 4.773 and 13c and 15n via appropriate ratios (iupac for biomolecules).' 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 C 13 protons ppm 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1.000000000 water N 15 protons ppm 4.773 internal 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 '3D HNCO' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'b-flap domain of RNA polymerase (B. subtilis)' _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 3 3 ASP H H 8.423 0.000 . 2 3 3 ASP HA H 4.583 0.000 . 3 3 3 ASP HB2 H 2.619 0.000 . 4 3 3 ASP HB3 H 2.619 0.000 . 5 3 3 ASP CA C 54.765 0.000 . 6 3 3 ASP CB C 41.406 0.000 . 7 3 3 ASP N N 120.809 0.000 . 8 4 4 VAL H H 7.998 0.000 . 9 4 4 VAL HA H 4.070 0.000 . 10 4 4 VAL HB H 1.978 0.000 . 11 4 4 VAL HG1 H 0.772 0.000 . 12 4 4 VAL HG2 H 0.772 0.000 . 13 4 4 VAL CA C 62.500 0.000 . 14 4 4 VAL CB C 32.969 0.000 . 15 4 4 VAL CG1 C 20.313 0.000 . 16 4 4 VAL N N 119.125 0.000 . 17 5 5 TYR H H 8.305 0.000 . 18 5 5 TYR HA H 4.674 0.000 . 19 5 5 TYR HB2 H 3.132 0.000 . 20 5 5 TYR HB3 H 2.934 0.000 . 21 5 5 TYR HD1 H 7.090 0.000 . 22 5 5 TYR HD2 H 7.090 0.000 . 23 5 5 TYR HE1 H 6.793 0.000 . 24 5 5 TYR HE2 H 6.793 0.000 . 25 5 5 TYR CA C 58.281 0.000 . 26 5 5 TYR CB C 38.594 0.000 . 27 5 5 TYR CD2 C 133.171 0.000 . 28 5 5 TYR CE2 C 118.385 0.000 . 29 5 5 TYR N N 122.640 0.000 . 30 6 6 THR H H 8.003 0.000 . 31 6 6 THR HA H 4.548 0.000 . 32 6 6 THR HB H 4.146 0.000 . 33 6 6 THR HG2 H 1.155 0.000 . 34 6 6 THR CA C 61.796 0.000 . 35 6 6 THR CB C 70.234 0.000 . 36 6 6 THR CG2 C 21.719 0.000 . 37 6 6 THR N N 114.861 0.000 . 38 7 7 SER H H 8.487 0.000 . 39 7 7 SER HA H 4.600 0.000 . 40 7 7 SER HB2 H 3.857 0.000 . 41 7 7 SER HB3 H 3.828 0.000 . 42 7 7 SER CA C 57.578 0.000 . 43 7 7 SER CB C 64.609 0.000 . 44 7 7 SER N N 118.140 0.000 . 45 8 8 ILE H H 8.139 0.000 . 46 8 8 ILE HA H 4.627 0.000 . 47 8 8 ILE HB H 1.750 0.000 . 48 8 8 ILE HG12 H 1.415 0.000 . 49 8 8 ILE HG13 H 1.073 0.000 . 50 8 8 ILE HG2 H 0.790 0.000 . 51 8 8 ILE HD1 H 0.763 0.000 . 52 8 8 ILE CA C 60.390 0.000 . 53 8 8 ILE CB C 40.000 0.000 . 54 8 8 ILE CG1 C 26.992 0.000 . 55 8 8 ILE CG2 C 17.852 0.000 . 56 8 8 ILE CD1 C 13.282 0.000 . 57 8 8 ILE N N 121.375 0.000 . 58 9 9 HIS H H 8.743 0.000 . 59 9 9 HIS HA H 4.768 0.000 . 60 9 9 HIS HB2 H 3.041 0.000 . 61 9 9 HIS HB3 H 2.973 0.000 . 62 9 9 HIS HD2 H 7.015 0.000 . 63 9 9 HIS CB C 32.617 0.000 . 64 9 9 HIS CD2 C 119.500 0.000 . 65 9 9 HIS N N 125.734 0.000 . 66 10 10 ILE H H 8.035 0.000 . 67 10 10 ILE HA H 4.806 0.000 . 68 10 10 ILE HB H 1.579 0.000 . 69 10 10 ILE HG12 H 1.359 0.000 . 70 10 10 ILE HG13 H 0.586 0.000 . 71 10 10 ILE HG2 H 0.796 0.000 . 72 10 10 ILE HD1 H 0.371 0.000 . 73 10 10 ILE CB C 39.297 0.000 . 74 10 10 ILE CG1 C 28.047 0.000 . 75 10 10 ILE CG2 C 18.555 0.000 . 76 10 10 ILE CD1 C 12.578 0.000 . 77 10 10 ILE N N 125.875 0.000 . 78 11 11 GLU H H 8.934 0.000 . 79 11 11 GLU HA H 4.472 0.000 . 80 11 11 GLU HB2 H 1.854 0.000 . 81 11 11 GLU HB3 H 1.617 0.000 . 82 11 11 GLU HG2 H 2.187 0.000 . 83 11 11 GLU HG3 H 1.887 0.000 . 84 11 11 GLU CA C 54.062 0.000 . 85 11 11 GLU CB C 32.617 0.000 . 86 11 11 GLU CG C 35.078 0.000 . 87 11 11 GLU N N 129.438 0.000 . 88 12 12 GLU H H 8.192 0.000 . 89 12 12 GLU HA H 4.752 0.000 . 90 12 12 GLU HB2 H 1.845 0.000 . 91 12 12 GLU HB3 H 1.619 0.000 . 92 12 12 GLU HG2 H 2.193 0.000 . 93 12 12 GLU HG3 H 1.902 0.000 . 94 12 12 GLU CA C 54.062 0.000 . 95 12 12 GLU CB C 32.617 0.000 . 96 12 12 GLU CG C 35.078 0.000 . 97 12 12 GLU N N 123.983 0.000 . 98 13 13 TYR H H 8.926 0.000 . 99 13 13 TYR HA H 4.741 0.000 . 100 13 13 TYR HB2 H 3.005 0.000 . 101 13 13 TYR HB3 H 2.348 0.000 . 102 13 13 TYR HD1 H 6.949 0.000 . 103 13 13 TYR HD2 H 6.949 0.000 . 104 13 13 TYR HE1 H 6.640 0.000 . 105 13 13 TYR HE2 H 6.640 0.000 . 106 13 13 TYR CB C 42.812 0.000 . 107 13 13 TYR CD2 C 132.751 0.000 . 108 13 13 TYR CE2 C 118.003 0.000 . 109 13 13 TYR N N 122.826 0.000 . 110 14 14 GLU H H 8.716 0.000 . 111 14 14 GLU HA H 5.647 0.000 . 112 14 14 GLU HB2 H 1.896 0.000 . 113 14 14 GLU HB3 H 1.896 0.000 . 114 14 14 GLU HG2 H 2.168 0.000 . 115 14 14 GLU HG3 H 2.056 0.000 . 116 14 14 GLU CA C 54.765 0.000 . 117 14 14 GLU CB C 34.375 0.000 . 118 14 14 GLU CG C 36.836 0.000 . 119 14 14 GLU N N 119.329 0.000 . 120 15 15 SER H H 8.922 0.000 . 121 15 15 SER HA H 4.616 0.000 . 122 15 15 SER HB2 H 3.660 0.000 . 123 15 15 SER HB3 H 3.379 0.000 . 124 15 15 SER CA C 57.578 0.000 . 125 15 15 SER CB C 66.015 0.000 . 126 15 15 SER N N 116.172 0.000 . 127 16 16 GLU H H 8.587 0.000 . 128 16 16 GLU HA H 5.082 0.000 . 129 16 16 GLU HB2 H 2.054 0.000 . 130 16 16 GLU HB3 H 1.864 0.000 . 131 16 16 GLU HG2 H 2.138 0.000 . 132 16 16 GLU HG3 H 2.212 0.000 . 133 16 16 GLU CA C 54.062 0.000 . 134 16 16 GLU CB C 32.969 0.000 . 135 16 16 GLU CG C 36.133 0.000 . 136 16 16 GLU N N 125.172 0.000 . 137 17 17 ALA H H 9.000 0.000 . 138 17 17 ALA HA H 4.969 0.000 . 139 17 17 ALA HB H 1.318 0.000 . 140 17 17 ALA CA C 50.547 0.000 . 141 17 17 ALA CB C 19.610 0.000 . 142 17 17 ALA N N 124.890 0.000 . 143 18 18 ARG H H 9.624 0.000 . 144 18 18 ARG HA H 5.175 0.000 . 145 18 18 ARG HB2 H 1.968 0.000 . 146 18 18 ARG HB3 H 1.594 0.000 . 147 18 18 ARG HG2 H 1.641 0.000 . 148 18 18 ARG HG3 H 1.552 0.002 . 149 18 18 ARG HD2 H 3.271 0.000 . 150 18 18 ARG HD3 H 3.142 0.000 . 151 18 18 ARG CA C 54.765 0.000 . 152 18 18 ARG CB C 34.375 0.000 . 153 18 18 ARG CG C 28.750 0.000 . 154 18 18 ARG CD C 43.164 0.000 . 155 18 18 ARG N N 125.376 0.000 . 156 19 19 ASP H H 8.420 0.000 . 157 19 19 ASP HA H 4.685 0.000 . 158 19 19 ASP HB2 H 2.683 0.000 . 159 19 19 ASP HB3 H 2.459 0.000 . 160 19 19 ASP CA C 55.117 0.000 . 161 19 19 ASP CB C 41.406 0.000 . 162 19 19 ASP N N 119.828 0.000 . 163 20 20 THR H H 7.602 0.000 . 164 20 20 THR HA H 4.979 0.000 . 165 20 20 THR HB H 4.476 0.000 . 166 20 20 THR HG2 H 1.286 0.000 . 167 20 20 THR CA C 60.390 0.000 . 168 20 20 THR CB C 73.046 0.000 . 169 20 20 THR CG2 C 21.016 0.000 . 170 20 20 THR N N 112.948 0.000 . 171 21 21 LYS HA H 4.146 0.000 . 172 21 21 LYS HB2 H 1.896 0.000 . 173 21 21 LYS HB3 H 1.896 0.000 . 174 21 21 LYS HG2 H 1.524 0.000 . 175 21 21 LYS HG3 H 1.524 0.000 . 176 21 21 LYS HD2 H 1.722 0.000 . 177 21 21 LYS HD3 H 1.722 0.000 . 178 21 21 LYS HE2 H 3.015 0.000 . 179 21 21 LYS HE3 H 3.015 0.000 . 180 21 21 LYS CA C 58.984 0.000 . 181 21 21 LYS CB C 32.266 0.000 . 182 21 21 LYS CG C 25.235 0.000 . 183 21 21 LYS CD C 28.750 0.000 . 184 21 21 LYS CE C 42.109 0.000 . 185 22 22 LEU H H 7.848 0.000 . 186 22 22 LEU HA H 4.532 0.000 . 187 22 22 LEU HB2 H 1.682 0.000 . 188 22 22 LEU HB3 H 1.353 0.000 . 189 22 22 LEU HG H 1.533 0.000 . 190 22 22 LEU HD1 H 0.839 0.000 . 191 22 22 LEU HD2 H 0.788 0.000 . 192 22 22 LEU CA C 54.062 0.000 . 193 22 22 LEU CB C 42.812 0.000 . 194 22 22 LEU CG C 26.641 0.000 . 195 22 22 LEU CD1 C 22.422 0.000 . 196 22 22 LEU CD2 C 25.586 0.000 . 197 22 22 LEU N N 117.346 0.000 . 198 23 23 GLY H H 7.407 0.000 . 199 23 23 GLY HA2 H 3.945 0.000 . 200 23 23 GLY HA3 H 3.969 0.000 . 201 23 23 GLY CA C 43.516 0.000 . 202 23 23 GLY N N 108.437 0.000 . 203 24 24 PRO HA H 4.894 0.000 . 204 24 24 PRO HB2 H 2.093 0.000 . 205 24 24 PRO HB3 H 2.267 0.000 . 206 24 24 PRO HG2 H 2.104 0.000 . 207 24 24 PRO HG3 H 2.104 0.000 . 208 24 24 PRO HD2 H 3.650 0.003 . 209 24 24 PRO HD3 H 3.650 0.003 . 210 24 24 PRO CA C 63.906 0.000 . 211 24 24 PRO CB C 31.563 0.000 . 212 24 24 PRO CG C 26.992 0.000 . 213 24 24 PRO CD C 49.492 0.000 . 214 25 25 GLU H H 8.341 0.000 . 215 25 25 GLU HA H 4.621 0.000 . 216 25 25 GLU HB2 H 2.176 0.000 . 217 25 25 GLU HB3 H 2.023 0.000 . 218 25 25 GLU CA C 56.523 0.000 . 219 25 25 GLU CB C 32.266 0.000 . 220 25 25 GLU N N 118.281 0.000 . 221 26 26 GLU H H 8.336 0.000 . 222 26 26 GLU HA H 4.710 0.013 . 223 26 26 GLU HB2 H 1.687 0.000 . 224 26 26 GLU HB3 H 1.842 0.000 . 225 26 26 GLU HG2 H 2.138 0.000 . 226 26 26 GLU HG3 H 2.028 0.000 . 227 26 26 GLU CA C 54.765 0.000 . 228 26 26 GLU CB C 33.672 0.000 . 229 26 26 GLU CG C 35.781 0.000 . 230 26 26 GLU N N 119.406 0.000 . 231 27 27 ILE H H 8.405 0.000 . 232 27 27 ILE HA H 5.009 0.000 . 233 27 27 ILE HB H 1.673 0.000 . 234 27 27 ILE HG12 H 1.286 0.000 . 235 27 27 ILE HG13 H 1.115 0.000 . 236 27 27 ILE HG2 H 0.940 0.000 . 237 27 27 ILE HD1 H 0.609 0.000 . 238 27 27 ILE CA C 60.390 0.000 . 239 27 27 ILE CB C 37.187 0.000 . 240 27 27 ILE CG1 C 28.047 0.000 . 241 27 27 ILE CG2 C 16.094 0.000 . 242 27 27 ILE CD1 C 11.875 0.000 . 243 27 27 ILE N N 127.472 0.000 . 244 28 28 THR H H 8.191 0.000 . 245 28 28 THR HA H 4.492 0.000 . 246 28 28 THR HB H 4.016 0.000 . 247 28 28 THR HG2 H 0.796 0.000 . 248 28 28 THR CA C 59.687 0.000 . 249 28 28 THR CB C 68.125 0.000 . 250 28 28 THR CG2 C 19.610 0.000 . 251 28 28 THR N N 124.387 0.000 . 252 29 29 ARG H H 7.995 0.000 . 253 29 29 ARG HA H 4.202 0.000 . 254 29 29 ARG HB2 H 1.696 0.000 . 255 29 29 ARG HB3 H 1.616 0.000 . 256 29 29 ARG HG3 H 1.455 0.000 . 257 29 29 ARG HD2 H 3.107 0.000 . 258 29 29 ARG CA C 55.468 0.000 . 259 29 29 ARG CB C 32.266 0.000 . 260 29 29 ARG CG C 28.750 0.000 . 261 29 29 ARG CD C 42.812 0.000 . 262 29 29 ARG N N 120.568 0.000 . 263 30 30 ASP H H 8.784 0.000 . 264 30 30 ASP HA H 4.619 0.000 . 265 30 30 ASP HB2 H 2.673 0.000 . 266 30 30 ASP HB3 H 2.365 0.000 . 267 30 30 ASP CA C 53.359 0.000 . 268 30 30 ASP CB C 38.594 0.000 . 269 30 30 ASP N N 123.906 0.000 . 270 31 31 ILE H H 7.404 0.000 . 271 31 31 ILE HA H 4.063 0.000 . 272 31 31 ILE HB H 1.477 0.000 . 273 31 31 ILE HG12 H 1.227 0.000 . 274 31 31 ILE HG13 H 0.774 0.000 . 275 31 31 ILE HG2 H 0.833 0.000 . 276 31 31 ILE HD1 H 0.773 0.000 . 277 31 31 ILE CA C 57.578 0.000 . 278 31 31 ILE CB C 40.703 0.000 . 279 31 31 ILE CG1 C 26.641 0.000 . 280 31 31 ILE CG2 C 18.203 0.000 . 281 31 31 ILE CD1 C 15.039 0.000 . 282 31 31 ILE N N 123.422 0.000 . 283 32 32 PRO HA H 4.273 0.000 . 284 32 32 PRO HB2 H 2.256 0.000 . 285 32 32 PRO HB3 H 1.916 0.000 . 286 32 32 PRO HG2 H 1.989 0.000 . 287 32 32 PRO HG3 H 1.905 0.000 . 288 32 32 PRO HD2 H 3.348 0.000 . 289 32 32 PRO HD3 H 3.744 0.000 . 290 32 32 PRO CA C 63.554 0.000 . 291 32 32 PRO CB C 32.266 0.000 . 292 32 32 PRO CG C 27.695 0.000 . 293 32 32 PRO CD C 50.547 0.000 . 294 33 33 ASN H H 8.880 0.000 . 295 33 33 ASN HA H 4.269 0.000 . 296 33 33 ASN HB2 H 3.031 0.000 . 297 33 33 ASN HB3 H 2.919 0.000 . 298 33 33 ASN HD21 H 7.696 0.000 . 299 33 33 ASN HD22 H 7.006 0.000 . 300 33 33 ASN CA C 55.117 0.000 . 301 33 33 ASN CB C 37.891 0.000 . 302 33 33 ASN N N 114.027 0.000 . 303 33 33 ASN ND2 N 114.015 0.000 . 304 34 34 VAL H H 7.328 0.000 . 305 34 34 VAL HA H 4.249 0.000 . 306 34 34 VAL HB H 1.921 0.000 . 307 34 34 VAL HG1 H 0.959 0.000 . 308 34 34 VAL HG2 H 0.801 0.000 . 309 34 34 VAL CA C 62.148 0.000 . 310 34 34 VAL CB C 33.672 0.000 . 311 34 34 VAL CG1 C 22.422 0.000 . 312 34 34 VAL CG2 C 21.016 0.000 . 313 34 34 VAL N N 117.111 0.000 . 314 35 35 GLY H H 8.653 0.000 . 315 35 35 GLY HA2 H 4.236 0.000 . 316 35 35 GLY HA3 H 3.882 0.000 . 317 35 35 GLY CA C 44.219 0.000 . 318 35 35 GLY N N 113.600 0.000 . 319 36 36 GLU H H 8.457 0.001 . 320 36 36 GLU HA H 3.888 0.000 . 321 36 36 GLU HB2 H 2.042 0.000 . 322 36 36 GLU HB3 H 2.004 0.000 . 323 36 36 GLU HG2 H 2.326 0.000 . 324 36 36 GLU CA C 59.687 0.000 . 325 36 36 GLU CB C 29.453 0.000 . 326 36 36 GLU CG C 36.484 0.000 . 327 36 36 GLU N N 118.562 0.000 . 328 37 37 ASP H H 8.728 0.000 . 329 37 37 ASP HA H 4.335 0.000 . 330 37 37 ASP HB2 H 2.658 0.000 . 331 37 37 ASP CA C 56.875 0.000 . 332 37 37 ASP CB C 40.000 0.000 . 333 37 37 ASP N N 118.140 0.000 . 334 38 38 ALA H H 7.642 0.000 . 335 38 38 ALA HA H 4.288 0.000 . 336 38 38 ALA HB H 1.516 0.000 . 337 38 38 ALA CA C 53.359 0.000 . 338 38 38 ALA CB C 18.555 0.000 . 339 38 38 ALA N N 120.752 0.000 . 340 39 39 LEU H H 7.446 0.000 . 341 39 39 LEU HA H 4.295 0.000 . 342 39 39 LEU HB2 H 1.795 0.000 . 343 39 39 LEU HB3 H 1.622 0.000 . 344 39 39 LEU HG H 1.731 0.000 . 345 39 39 LEU HD1 H 0.799 0.000 . 346 39 39 LEU HD2 H 0.891 0.000 . 347 39 39 LEU CA C 54.765 0.000 . 348 39 39 LEU CB C 43.164 0.000 . 349 39 39 LEU CG C 25.938 0.000 . 350 39 39 LEU CD1 C 23.828 0.000 . 351 39 39 LEU CD2 C 26.289 0.000 . 352 39 39 LEU N N 117.015 0.000 . 353 40 40 ARG H H 7.079 0.000 . 354 40 40 ARG HA H 4.064 0.000 . 355 40 40 ARG HB2 H 1.819 0.000 . 356 40 40 ARG HB3 H 1.958 0.000 . 357 40 40 ARG HG2 H 1.741 0.000 . 358 40 40 ARG HG3 H 1.614 0.000 . 359 40 40 ARG HD2 H 3.321 0.000 . 360 40 40 ARG HD3 H 3.219 0.000 . 361 40 40 ARG CA C 59.687 0.000 . 362 40 40 ARG CB C 30.508 0.000 . 363 40 40 ARG CG C 26.992 0.000 . 364 40 40 ARG CD C 43.516 0.000 . 365 40 40 ARG N N 118.017 0.000 . 366 41 41 ASN H H 9.057 0.000 . 367 41 41 ASN HA H 4.996 0.000 . 368 41 41 ASN HB2 H 2.939 0.000 . 369 41 41 ASN HB3 H 2.550 0.000 . 370 41 41 ASN HD21 H 8.065 0.000 . 371 41 41 ASN HD22 H 7.047 0.000 . 372 41 41 ASN CA C 53.359 0.000 . 373 41 41 ASN CB C 39.297 0.000 . 374 41 41 ASN N N 115.439 0.000 . 375 41 41 ASN ND2 N 114.953 0.000 . 376 42 42 LEU H H 7.719 0.000 . 377 42 42 LEU HA H 4.403 0.000 . 378 42 42 LEU HB2 H 1.907 0.000 . 379 42 42 LEU HB3 H 1.115 0.000 . 380 42 42 LEU HG H 1.643 0.000 . 381 42 42 LEU HD1 H 0.428 0.000 . 382 42 42 LEU HD2 H 0.787 0.000 . 383 42 42 LEU CA C 54.062 0.000 . 384 42 42 LEU CB C 42.812 0.000 . 385 42 42 LEU CG C 27.344 0.000 . 386 42 42 LEU CD1 C 21.719 0.000 . 387 42 42 LEU CD2 C 25.938 0.000 . 388 42 42 LEU N N 118.703 0.000 . 389 43 43 ASP H H 8.933 0.000 . 390 43 43 ASP HA H 4.481 0.000 . 391 43 43 ASP HB2 H 3.365 0.000 . 392 43 43 ASP HB3 H 2.632 0.000 . 393 43 43 ASP CA C 52.656 0.000 . 394 43 43 ASP CB C 39.648 0.000 . 395 43 43 ASP N N 122.791 0.000 . 396 44 44 ASP H H 8.281 0.000 . 397 44 44 ASP HA H 4.278 0.000 . 398 44 44 ASP HB2 H 2.714 0.000 . 399 44 44 ASP HB3 H 2.632 0.000 . 400 44 44 ASP CA C 56.875 0.000 . 401 44 44 ASP CB C 40.000 0.000 . 402 44 44 ASP N N 114.917 0.000 . 403 45 45 ARG H H 8.500 0.000 . 404 45 45 ARG HA H 4.366 0.000 . 405 45 45 ARG HB2 H 2.172 0.000 . 406 45 45 ARG HB3 H 1.843 0.000 . 407 45 45 ARG HG2 H 1.632 0.000 . 408 45 45 ARG HD2 H 3.379 0.000 . 409 45 45 ARG CA C 55.117 0.000 . 410 45 45 ARG CB C 30.859 0.000 . 411 45 45 ARG CD C 43.516 0.000 . 412 45 45 ARG N N 118.140 0.000 . 413 46 46 GLY H H 7.680 0.000 . 414 46 46 GLY HA2 H 4.177 0.000 . 415 46 46 GLY HA3 H 3.063 0.000 . 416 46 46 GLY CA C 45.273 0.000 . 417 46 46 GLY N N 101.828 0.000 . 418 47 47 VAL H H 8.007 0.000 . 419 47 47 VAL HA H 4.406 0.000 . 420 47 47 VAL HB H 2.070 0.000 . 421 47 47 VAL HG1 H 1.022 0.000 . 422 47 47 VAL HG2 H 0.747 0.000 . 423 47 47 VAL CA C 61.796 0.000 . 424 47 47 VAL CB C 33.672 0.000 . 425 47 47 VAL CG1 C 23.125 0.000 . 426 47 47 VAL CG2 C 22.071 0.000 . 427 47 47 VAL N N 119.955 0.000 . 428 48 48 ILE H H 8.145 0.000 . 429 48 48 ILE HA H 4.202 0.000 . 430 48 48 ILE HB H 2.144 0.000 . 431 48 48 ILE HG12 H 1.292 0.000 . 432 48 48 ILE HG2 H 0.882 0.000 . 433 48 48 ILE HD1 H 0.907 0.000 . 434 48 48 ILE CA C 59.687 0.000 . 435 48 48 ILE CB C 38.945 0.000 . 436 48 48 ILE CG1 C 29.102 0.000 . 437 48 48 ILE CG2 C 18.906 0.000 . 438 48 48 ILE CD1 C 15.742 0.000 . 439 48 48 ILE N N 128.406 0.000 . 440 49 49 ARG H H 7.447 0.000 . 441 49 49 ARG HA H 4.328 0.000 . 442 49 49 ARG HB2 H 1.744 0.000 . 443 49 49 ARG HB3 H 1.632 0.000 . 444 49 49 ARG HG2 H 1.675 0.000 . 445 49 49 ARG HD2 H 3.170 0.000 . 446 49 49 ARG HD3 H 3.170 0.000 . 447 49 49 ARG CA C 56.875 0.000 . 448 49 49 ARG CB C 31.563 0.000 . 449 49 49 ARG N N 123.765 0.000 . 450 50 50 ILE H H 8.284 0.000 . 451 50 50 ILE HA H 3.414 0.000 . 452 50 50 ILE HB H 1.835 0.000 . 453 50 50 ILE HG12 H 0.807 0.000 . 454 50 50 ILE HG13 H 1.835 0.000 . 455 50 50 ILE HG2 H 0.847 0.000 . 456 50 50 ILE HD1 H 1.119 0.000 . 457 50 50 ILE CA C 64.609 0.000 . 458 50 50 ILE CG1 C 30.332 0.176 . 459 50 50 ILE CG2 C 17.500 0.000 . 460 50 50 ILE CD1 C 13.985 0.000 . 461 50 50 ILE N N 121.094 0.000 . 462 51 51 GLY H H 8.679 0.000 . 463 51 51 GLY HA2 H 4.386 0.000 . 464 51 51 GLY HA3 H 3.564 0.000 . 465 51 51 GLY CA C 44.922 0.000 . 466 51 51 GLY N N 115.791 0.000 . 467 52 52 ALA H H 7.496 0.000 . 468 52 52 ALA HA H 4.246 0.000 . 469 52 52 ALA HB H 1.337 0.000 . 470 52 52 ALA CA C 52.656 0.000 . 471 52 52 ALA CB C 18.906 0.000 . 472 52 52 ALA N N 122.065 0.000 . 473 53 53 GLU H H 8.427 0.000 . 474 53 53 GLU HA H 4.892 0.000 . 475 53 53 GLU HB2 H 1.983 0.000 . 476 53 53 GLU HB3 H 1.871 0.000 . 477 53 53 GLU HG2 H 2.234 0.000 . 478 53 53 GLU CB C 30.508 0.000 . 479 53 53 GLU CG C 36.484 0.000 . 480 53 53 GLU N N 121.468 0.000 . 481 54 54 VAL H H 9.002 0.000 . 482 54 54 VAL HA H 4.979 0.000 . 483 54 54 VAL HB H 2.204 0.000 . 484 54 54 VAL HG1 H 0.782 0.000 . 485 54 54 VAL HG2 H 0.750 0.000 . 486 54 54 VAL CA C 58.632 0.000 . 487 54 54 VAL CB C 35.781 0.000 . 488 54 54 VAL CG1 C 18.906 0.000 . 489 54 54 VAL CG2 C 24.180 0.000 . 490 54 54 VAL N N 117.437 0.000 . 491 55 55 LYS H H 9.244 0.000 . 492 55 55 LYS HA H 4.698 0.000 . 493 55 55 LYS HB2 H 1.834 0.000 . 494 55 55 LYS HB3 H 1.760 0.000 . 495 55 55 LYS HG2 H 1.468 0.000 . 496 55 55 LYS HG3 H 1.343 0.000 . 497 55 55 LYS HD2 H 1.666 0.000 . 498 55 55 LYS HE2 H 2.884 0.000 . 499 55 55 LYS CA C 53.359 0.000 . 500 55 55 LYS CB C 35.781 0.000 . 501 55 55 LYS CG C 24.180 0.000 . 502 55 55 LYS CD C 28.750 0.000 . 503 55 55 LYS N N 123.906 0.000 . 504 56 56 ASP H H 8.176 0.000 . 505 56 56 ASP HA H 3.764 0.000 . 506 56 56 ASP HB2 H 2.544 0.000 . 507 56 56 ASP HB3 H 2.472 0.000 . 508 56 56 ASP CA C 56.172 0.000 . 509 56 56 ASP CB C 40.000 0.000 . 510 56 56 ASP N N 118.562 0.000 . 511 57 57 GLY H H 8.841 0.000 . 512 57 57 GLY HA2 H 3.746 0.000 . 513 57 57 GLY HA3 H 3.550 0.000 . 514 57 57 GLY CA C 45.625 0.000 . 515 57 57 GLY N N 112.515 0.000 . 516 58 58 ASP H H 8.209 0.000 . 517 58 58 ASP HA H 4.532 0.000 . 518 58 58 ASP HB2 H 2.898 0.000 . 519 58 58 ASP HB3 H 2.826 0.000 . 520 58 58 ASP CA C 54.765 0.000 . 521 58 58 ASP CB C 41.055 0.000 . 522 58 58 ASP N N 121.375 0.000 . 523 59 59 LEU H H 8.570 0.000 . 524 59 59 LEU HA H 3.976 0.000 . 525 59 59 LEU HB2 H 1.710 0.000 . 526 59 59 LEU HB3 H 1.140 0.000 . 527 59 59 LEU HD1 H 0.862 0.000 . 528 59 59 LEU CA C 56.875 0.000 . 529 59 59 LEU CB C 44.219 0.000 . 530 59 59 LEU CD1 C 25.235 0.000 . 531 59 59 LEU N N 119.828 0.000 . 532 60 60 LEU H H 8.816 0.000 . 533 60 60 LEU HA H 4.518 0.000 . 534 60 60 LEU HB2 H 1.503 0.000 . 535 60 60 LEU HB3 H 1.141 0.000 . 536 60 60 LEU HG H 1.442 0.000 . 537 60 60 LEU HD1 H 0.737 0.000 . 538 60 60 LEU CB C 44.922 0.000 . 539 60 60 LEU CD1 C 24.180 0.000 . 540 60 60 LEU N N 116.594 0.000 . 541 61 61 VAL H H 7.322 0.000 . 542 61 61 VAL HA H 4.618 0.000 . 543 61 61 VAL HB H 2.031 0.000 . 544 61 61 VAL HG1 H 0.848 0.000 . 545 61 61 VAL HG2 H 0.733 0.000 . 546 61 61 VAL CA C 61.093 0.000 . 547 61 61 VAL CB C 36.484 0.000 . 548 61 61 VAL CG1 C 22.422 0.000 . 549 61 61 VAL N N 115.656 0.000 . 550 62 62 GLY H H 9.563 0.000 . 551 62 62 GLY HA2 H 4.062 0.000 . 552 62 62 GLY HA3 H 3.723 0.000 . 553 62 62 GLY CA C 45.625 0.000 . 554 62 62 GLY N N 117.191 0.000 . 555 63 63 LYS H H 8.712 0.000 . 556 63 63 LYS HA H 5.328 0.000 . 557 63 63 LYS HB2 H 1.496 0.000 . 558 63 63 LYS HB3 H 1.259 0.000 . 559 63 63 LYS CA C 56.172 0.000 . 560 63 63 LYS CB C 35.078 0.000 . 561 63 63 LYS N N 127.584 0.000 . 562 64 64 VAL H H 8.481 0.000 . 563 64 64 VAL HA H 5.523 0.000 . 564 64 64 VAL HB H 1.886 0.000 . 565 64 64 VAL HG1 H 0.806 0.000 . 566 64 64 VAL HG2 H 0.885 0.000 . 567 64 64 VAL CA C 57.578 0.000 . 568 64 64 VAL CB C 35.781 0.000 . 569 64 64 VAL CG1 C 21.719 0.000 . 570 64 64 VAL CG2 C 18.203 0.000 . 571 64 64 VAL N N 114.383 0.000 . 572 65 65 THR H H 8.637 0.000 . 573 65 65 THR HA H 4.602 0.000 . 574 65 65 THR HB H 3.623 0.000 . 575 65 65 THR HG2 H 1.507 0.000 . 576 65 65 THR CA C 59.687 0.000 . 577 65 65 THR CB C 72.343 0.000 . 578 65 65 THR CG2 C 21.016 0.000 . 579 65 65 THR N N 118.431 0.000 . 580 66 66 PRO HA H 4.557 0.000 . 581 66 66 PRO HB2 H 2.306 0.000 . 582 66 66 PRO HB3 H 1.694 0.000 . 583 66 66 PRO HG2 H 1.691 0.000 . 584 66 66 PRO HG3 H 1.644 0.000 . 585 66 66 PRO HD2 H 3.447 0.000 . 586 66 66 PRO HD3 H 3.745 0.000 . 587 66 66 PRO CA C 63.906 0.000 . 588 66 66 PRO CB C 32.969 0.000 . 589 66 66 PRO CG C 27.695 0.000 . 590 66 66 PRO CD C 51.250 0.000 . 591 67 67 LYS H H 8.371 0.000 . 592 67 67 LYS HA H 4.391 0.000 . 593 67 67 LYS HB2 H 1.611 0.000 . 594 67 67 LYS HB3 H 1.518 0.000 . 595 67 67 LYS HG2 H 1.229 0.000 . 596 67 67 LYS HD2 H 1.548 0.000 . 597 67 67 LYS HD3 H 1.483 0.000 . 598 67 67 LYS HE2 H 2.835 0.000 . 599 67 67 LYS CA C 56.172 0.000 . 600 67 67 LYS CB C 35.078 0.000 . 601 67 67 LYS CG C 25.235 0.000 . 602 67 67 LYS CD C 30.156 0.000 . 603 67 67 LYS CE C 42.109 0.000 . 604 67 67 LYS N N 122.359 0.000 . 605 68 68 GLY H H 8.583 0.000 . 606 68 68 GLY HA2 H 4.167 0.000 . 607 68 68 GLY HA3 H 3.876 0.000 . 608 68 68 GLY CA C 44.922 0.000 . 609 68 68 GLY N N 109.563 0.000 . 610 69 69 VAL H H 8.235 0.000 . 611 69 69 VAL HA H 4.032 0.000 . 612 69 69 VAL HB H 2.109 0.000 . 613 69 69 VAL HG1 H 0.938 0.000 . 614 69 69 VAL CA C 63.203 0.000 . 615 69 69 VAL CB C 32.266 0.000 . 616 69 69 VAL CG1 C 21.016 0.000 . 617 69 69 VAL N N 118.378 0.000 . 618 70 70 THR H H 8.085 0.000 . 619 70 70 THR HA H 4.281 0.000 . 620 70 70 THR HB H 4.275 0.000 . 621 70 70 THR HG2 H 1.226 0.000 . 622 70 70 THR CA C 62.500 0.000 . 623 70 70 THR CB C 69.531 0.000 . 624 70 70 THR CG2 C 21.719 0.000 . 625 70 70 THR N N 114.484 0.000 . 626 71 71 GLU H H 8.175 0.000 . 627 71 71 GLU HA H 4.325 0.000 . 628 71 71 GLU HB2 H 2.105 0.000 . 629 71 71 GLU HB3 H 1.995 0.000 . 630 71 71 GLU CA C 56.172 0.000 . 631 71 71 GLU CB C 30.859 0.000 . 632 71 71 GLU N N 121.656 0.000 . 633 72 72 LEU H H 7.770 0.000 . 634 72 72 LEU HA H 4.534 0.000 . 635 72 72 LEU HB2 H 1.658 0.000 . 636 72 72 LEU HB3 H 1.553 0.000 . 637 72 72 LEU HD1 H 0.730 0.000 . 638 72 72 LEU CA C 54.765 0.000 . 639 72 72 LEU CB C 42.812 0.000 . 640 72 72 LEU CD1 C 22.774 0.000 . 641 72 72 LEU N N 122.219 0.000 . 642 73 73 THR H H 8.869 0.000 . 643 73 73 THR HA H 4.405 0.000 . 644 73 73 THR HB H 4.672 0.000 . 645 73 73 THR HG2 H 1.335 0.000 . 646 73 73 THR CA C 61.093 0.000 . 647 73 73 THR CB C 70.937 0.000 . 648 73 73 THR CG2 C 21.719 0.000 . 649 73 73 THR N N 114.407 0.000 . 650 74 74 ALA H H 8.831 0.000 . 651 74 74 ALA HA H 4.026 0.000 . 652 74 74 ALA HB H 1.463 0.000 . 653 74 74 ALA CA C 55.468 0.000 . 654 74 74 ALA CB C 18.203 0.000 . 655 74 74 ALA N N 123.782 0.000 . 656 75 75 GLU H H 8.637 0.000 . 657 75 75 GLU HA H 4.043 0.000 . 658 75 75 GLU HB2 H 1.986 0.000 . 659 75 75 GLU HB3 H 2.061 0.000 . 660 75 75 GLU HG2 H 2.369 0.000 . 661 75 75 GLU HG3 H 2.283 0.000 . 662 75 75 GLU CA C 59.687 0.000 . 663 75 75 GLU CB C 29.453 0.000 . 664 75 75 GLU CG C 37.187 0.000 . 665 75 75 GLU N N 117.578 0.000 . 666 76 76 GLU H H 7.847 0.000 . 667 76 76 GLU HA H 4.010 0.000 . 668 76 76 GLU HB2 H 2.284 0.000 . 669 76 76 GLU HG2 H 2.370 0.000 . 670 76 76 GLU HG3 H 2.296 0.000 . 671 76 76 GLU CA C 58.281 0.000 . 672 76 76 GLU CB C 30.859 0.000 . 673 76 76 GLU CG C 37.187 0.000 . 674 76 76 GLU N N 120.042 0.000 . 675 77 77 ARG H H 8.452 0.000 . 676 77 77 ARG HA H 3.975 0.002 . 677 77 77 ARG HB2 H 1.879 0.000 . 678 77 77 ARG HG2 H 1.767 0.000 . 679 77 77 ARG HG3 H 1.567 0.000 . 680 77 77 ARG HD2 H 3.237 0.000 . 681 77 77 ARG HD3 H 3.146 0.000 . 682 77 77 ARG CA C 58.984 0.000 . 683 77 77 ARG CB C 30.156 0.000 . 684 77 77 ARG CG C 28.399 0.000 . 685 77 77 ARG CD C 43.516 0.000 . 686 77 77 ARG N N 119.687 0.000 . 687 78 78 LEU H H 7.685 0.000 . 688 78 78 LEU HA H 4.210 0.000 . 689 78 78 LEU HB2 H 1.660 0.000 . 690 78 78 LEU HB3 H 1.803 0.000 . 691 78 78 LEU HG H 1.725 0.000 . 692 78 78 LEU HD1 H 0.899 0.000 . 693 78 78 LEU HD2 H 0.942 0.000 . 694 78 78 LEU CA C 56.875 0.000 . 695 78 78 LEU CB C 42.109 0.000 . 696 78 78 LEU CG C 26.641 0.000 . 697 78 78 LEU CD1 C 23.828 0.000 . 698 78 78 LEU CD2 C 24.531 0.000 . 699 78 78 LEU N N 120.250 0.000 . 700 79 79 LEU H H 7.679 0.000 . 701 79 79 LEU HA H 4.208 0.000 . 702 79 79 LEU HB2 H 1.785 0.000 . 703 79 79 LEU HB3 H 1.584 0.000 . 704 79 79 LEU HD1 H 0.937 0.000 . 705 79 79 LEU HD2 H 0.900 0.000 . 706 79 79 LEU CA C 56.875 0.000 . 707 79 79 LEU CB C 42.109 0.000 . 708 79 79 LEU CD1 C 25.235 0.000 . 709 79 79 LEU CD2 C 23.828 0.000 . 710 79 79 LEU N N 119.265 0.000 . 711 80 80 HIS H H 8.127 0.000 . 712 80 80 HIS HA H 4.422 0.000 . 713 80 80 HIS HB2 H 3.216 0.000 . 714 80 80 HIS HB3 H 3.147 0.000 . 715 80 80 HIS HD2 H 7.007 0.000 . 716 80 80 HIS CA C 57.578 0.000 . 717 80 80 HIS CB C 30.156 0.000 . 718 80 80 HIS N N 118.348 0.000 . 719 81 81 ALA H H 7.908 0.000 . 720 81 81 ALA HA H 4.204 0.000 . 721 81 81 ALA HB H 1.450 0.000 . 722 81 81 ALA CA C 54.062 0.000 . 723 81 81 ALA CB C 18.906 0.000 . 724 81 81 ALA N N 122.359 0.000 . 725 82 82 ILE H H 7.780 0.000 . 726 82 82 ILE HA H 3.972 0.000 . 727 82 82 ILE HB H 1.668 0.000 . 728 82 82 ILE HG12 H 1.429 0.000 . 729 82 82 ILE HG13 H 1.069 0.000 . 730 82 82 ILE HG2 H 0.526 0.000 . 731 82 82 ILE HD1 H 0.775 0.000 . 732 82 82 ILE CA C 62.500 0.000 . 733 82 82 ILE CB C 38.594 0.000 . 734 82 82 ILE CG1 C 27.344 0.000 . 735 82 82 ILE CG2 C 16.797 0.000 . 736 82 82 ILE CD1 C 12.578 0.000 . 737 82 82 ILE N N 117.705 0.000 . 738 83 83 PHE H H 8.227 0.000 . 739 83 83 PHE HA H 4.633 0.000 . 740 83 83 PHE HB2 H 2.965 0.000 . 741 83 83 PHE HB3 H 3.210 0.000 . 742 83 83 PHE HD1 H 7.301 0.000 . 743 83 83 PHE HD2 H 7.301 0.000 . 744 83 83 PHE HE1 H 7.352 0.000 . 745 83 83 PHE HE2 H 7.352 0.000 . 746 83 83 PHE CA C 58.281 0.000 . 747 83 83 PHE CB C 40.000 0.000 . 748 83 83 PHE CD1 C 131.681 0.000 . 749 83 83 PHE CE1 C 131.640 0.000 . 750 83 83 PHE N N 120.528 0.000 . 751 84 84 GLY H H 8.157 0.000 . 752 84 84 GLY HA2 H 3.977 0.000 . 753 84 84 GLY HA3 H 3.764 0.000 . 754 84 84 GLY CA C 45.625 0.000 . 755 84 84 GLY N N 110.328 0.000 . 756 85 85 GLU H H 8.374 0.000 . 757 85 85 GLU HA H 4.234 0.000 . 758 85 85 GLU HB2 H 2.058 0.000 . 759 85 85 GLU HB3 H 1.946 0.000 . 760 85 85 GLU HG2 H 2.241 0.000 . 761 85 85 GLU CA C 57.226 0.000 . 762 85 85 GLU CB C 30.156 0.000 . 763 85 85 GLU CG C 36.133 0.000 . 764 85 85 GLU N N 120.975 0.000 . 765 86 86 LYS H H 8.230 0.000 . 766 86 86 LYS HA H 4.291 0.004 . 767 86 86 LYS HB2 H 1.832 0.000 . 768 86 86 LYS HB3 H 1.760 0.000 . 769 86 86 LYS HG2 H 1.459 0.000 . 770 86 86 LYS HG3 H 1.429 0.000 . 771 86 86 LYS HD2 H 2.032 0.000 . 772 86 86 LYS HE2 H 2.986 0.000 . 773 86 86 LYS HE3 H 2.886 0.000 . 774 86 86 LYS CA C 56.172 0.000 . 775 86 86 LYS CB C 32.969 0.000 . 776 86 86 LYS CG C 25.235 0.000 . 777 86 86 LYS CE C 42.109 0.000 . 778 86 86 LYS N N 121.202 0.000 . 779 87 87 ALA H H 8.179 0.000 . 780 87 87 ALA HA H 4.236 0.000 . 781 87 87 ALA HB H 1.359 0.000 . 782 87 87 ALA CA C 52.656 0.000 . 783 87 87 ALA CB C 19.610 0.000 . 784 87 87 ALA N N 124.596 0.000 . 785 88 88 ARG H H 8.274 0.000 . 786 88 88 ARG HA H 4.344 0.000 . 787 88 88 ARG HB2 H 1.841 0.000 . 788 88 88 ARG HB3 H 1.730 0.000 . 789 88 88 ARG HG2 H 1.543 0.000 . 790 88 88 ARG HD2 H 3.220 0.000 . 791 88 88 ARG HD3 H 3.154 0.000 . 792 88 88 ARG CA C 56.172 0.000 . 793 88 88 ARG CB C 30.859 0.000 . 794 88 88 ARG CG C 27.344 0.000 . 795 88 88 ARG CD C 43.516 0.000 . 796 88 88 ARG N N 120.688 0.000 . 797 89 89 GLU H H 8.632 0.000 . 798 89 89 GLU HA H 4.575 0.000 . 799 89 89 GLU HB2 H 1.952 0.000 . 800 89 89 GLU HG2 H 2.253 0.000 . 801 89 89 GLU HG3 H 2.206 0.000 . 802 89 89 GLU CA C 55.468 0.000 . 803 89 89 GLU CB C 30.156 0.000 . 804 89 89 GLU CG C 35.781 0.000 . 805 89 89 GLU N N 124.469 0.000 . 806 90 90 VAL H H 8.246 0.000 . 807 90 90 VAL HA H 5.047 0.000 . 808 90 90 VAL HB H 1.965 0.000 . 809 90 90 VAL HG1 H 0.728 0.000 . 810 90 90 VAL HG2 H 0.694 0.000 . 811 90 90 VAL CA C 58.984 0.000 . 812 90 90 VAL CB C 36.484 0.000 . 813 90 90 VAL CG1 C 21.016 0.000 . 814 90 90 VAL CG2 C 17.500 0.000 . 815 90 90 VAL N N 114.440 0.000 . 816 91 91 ARG H H 9.062 0.000 . 817 91 91 ARG HA H 4.771 0.000 . 818 91 91 ARG HB2 H 1.745 0.000 . 819 91 91 ARG HG2 H 1.564 0.000 . 820 91 91 ARG HD2 H 3.189 0.000 . 821 91 91 ARG CB C 33.672 0.000 . 822 91 91 ARG N N 118.602 0.000 . 823 92 92 ASP H H 8.770 0.000 . 824 92 92 ASP HA H 4.754 0.000 . 825 92 92 ASP HB2 H 3.014 0.000 . 826 92 92 ASP HB3 H 2.599 0.000 . 827 92 92 ASP CB C 41.406 0.000 . 828 92 92 ASP N N 121.656 0.000 . 829 93 93 THR H H 9.253 0.000 . 830 93 93 THR HA H 4.586 0.000 . 831 93 93 THR HB H 4.476 0.000 . 832 93 93 THR HG2 H 1.138 0.000 . 833 93 93 THR CA C 60.390 0.000 . 834 93 93 THR CB C 66.718 0.000 . 835 93 93 THR CG2 C 21.719 0.000 . 836 93 93 THR N N 124.654 0.000 . 837 94 94 SER H H 8.564 0.000 . 838 94 94 SER HA H 4.455 0.000 . 839 94 94 SER HB2 H 4.149 0.000 . 840 94 94 SER HB3 H 3.715 0.000 . 841 94 94 SER HG H 5.726 0.000 . 842 94 94 SER CA C 60.390 0.000 . 843 94 94 SER CB C 63.906 0.000 . 844 94 94 SER N N 117.437 0.000 . 845 95 95 LEU H H 8.964 0.000 . 846 95 95 LEU HA H 4.684 0.000 . 847 95 95 LEU HB2 H 1.780 0.000 . 848 95 95 LEU HB3 H 1.780 0.000 . 849 95 95 LEU HD1 H 1.059 0.000 . 850 95 95 LEU HD2 H 1.066 0.000 . 851 95 95 LEU CB C 43.516 0.000 . 852 95 95 LEU CD1 C 22.422 0.000 . 853 95 95 LEU CD2 C 21.719 0.000 . 854 95 95 LEU N N 125.594 0.000 . 855 96 96 ARG H H 8.709 0.000 . 856 96 96 ARG HA H 5.061 0.000 . 857 96 96 ARG HB2 H 1.362 0.000 . 858 96 96 ARG HB3 H 1.263 0.000 . 859 96 96 ARG HD2 H 3.108 0.000 . 860 96 96 ARG CA C 54.062 0.000 . 861 96 96 ARG CB C 34.375 0.000 . 862 96 96 ARG CD C 42.812 0.000 . 863 96 96 ARG N N 128.669 0.000 . 864 97 97 VAL H H 8.745 0.000 . 865 97 97 VAL HA H 3.386 0.000 . 866 97 97 VAL HB H 2.056 0.000 . 867 97 97 VAL HG1 H 0.738 0.000 . 868 97 97 VAL HG2 H 0.314 0.000 . 869 97 97 VAL CA C 61.093 0.000 . 870 97 97 VAL CB C 32.266 0.000 . 871 97 97 VAL CG1 C 21.016 0.000 . 872 97 97 VAL CG2 C 24.180 0.000 . 873 97 97 VAL N N 121.375 0.000 . 874 98 98 PRO HA H 4.543 0.000 . 875 98 98 PRO HB2 H 2.040 0.000 . 876 98 98 PRO HB3 H 2.328 0.000 . 877 98 98 PRO HG2 H 2.174 0.000 . 878 98 98 PRO HG3 H 1.857 0.000 . 879 98 98 PRO HD2 H 3.568 0.000 . 880 98 98 PRO HD3 H 3.176 0.000 . 881 98 98 PRO CA C 62.500 0.000 . 882 98 98 PRO CB C 32.969 0.000 . 883 98 98 PRO CG C 27.344 0.000 . 884 98 98 PRO CD C 50.547 0.000 . 885 99 99 HIS H H 8.368 0.000 . 886 99 99 HIS HA H 4.272 0.000 . 887 99 99 HIS HB2 H 3.104 0.000 . 888 99 99 HIS HB3 H 3.020 0.000 . 889 99 99 HIS CA C 58.281 0.000 . 890 99 99 HIS CB C 30.156 0.000 . 891 99 99 HIS N N 118.140 0.000 . 892 100 100 GLY H H 9.411 0.000 . 893 100 100 GLY HA2 H 4.055 0.000 . 894 100 100 GLY HA3 H 3.722 0.000 . 895 100 100 GLY CA C 45.625 0.000 . 896 100 100 GLY N N 116.101 0.000 . 897 101 101 GLY H H 8.399 0.000 . 898 101 101 GLY HA2 H 3.180 0.000 . 899 101 101 GLY HA3 H 3.155 0.000 . 900 101 101 GLY CA C 45.625 0.000 . 901 101 101 GLY N N 108.798 0.000 . 902 102 102 GLY H H 8.310 0.000 . 903 102 102 GLY HA2 H 3.836 0.000 . 904 102 102 GLY HA3 H 3.597 0.000 . 905 102 102 GLY CA C 45.625 0.000 . 906 102 102 GLY N N 105.967 0.000 . 907 103 103 GLY H H 8.075 0.000 . 908 103 103 GLY HA2 H 4.476 0.000 . 909 103 103 GLY HA3 H 3.990 0.000 . 910 103 103 GLY CA C 46.328 0.000 . 911 103 103 GLY N N 107.574 0.000 . 912 104 104 ILE H H 8.269 0.000 . 913 104 104 ILE HA H 5.075 0.000 . 914 104 104 ILE HB H 1.719 0.000 . 915 104 104 ILE HG12 H 1.549 0.000 . 916 104 104 ILE HG13 H 1.210 0.000 . 917 104 104 ILE HG2 H 0.797 0.000 . 918 104 104 ILE HD1 H 0.843 0.000 . 919 104 104 ILE CA C 58.281 0.000 . 920 104 104 ILE CB C 40.703 0.000 . 921 104 104 ILE CG1 C 28.047 0.000 . 922 104 104 ILE CG2 C 16.797 0.000 . 923 104 104 ILE CD1 C 12.578 0.000 . 924 104 104 ILE N N 122.219 0.000 . 925 105 105 ILE H H 8.965 0.000 . 926 105 105 ILE HA H 4.312 0.000 . 927 105 105 ILE HB H 2.544 0.000 . 928 105 105 ILE HG12 H 1.962 0.000 . 929 105 105 ILE HG13 H 1.962 0.000 . 930 105 105 ILE HD1 H 0.586 0.000 . 931 105 105 ILE CA C 60.390 0.000 . 932 105 105 ILE CB C 34.375 0.000 . 933 105 105 ILE CG1 C 25.235 0.000 . 934 105 105 ILE CD1 C 10.469 0.000 . 935 105 105 ILE N N 124.237 0.000 . 936 106 106 HIS H H 9.604 0.000 . 937 106 106 HIS HA H 4.506 0.000 . 938 106 106 HIS HB2 H 3.113 0.000 . 939 106 106 HIS HB3 H 2.754 0.000 . 940 106 106 HIS CA C 57.578 0.000 . 941 106 106 HIS CB C 33.672 0.000 . 942 106 106 HIS N N 135.053 0.000 . 943 107 107 ASP H H 7.930 0.000 . 944 107 107 ASP HA H 4.707 0.000 . 945 107 107 ASP HB2 H 2.359 0.000 . 946 107 107 ASP HB3 H 2.093 0.000 . 947 107 107 ASP CB C 42.812 0.000 . 948 107 107 ASP N N 112.528 0.000 . 949 108 108 VAL H H 8.325 0.000 . 950 108 108 VAL HA H 5.028 0.000 . 951 108 108 VAL HB H 1.820 0.000 . 952 108 108 VAL HG1 H 0.933 0.000 . 953 108 108 VAL HG2 H 0.835 0.000 . 954 108 108 VAL CA C 61.796 0.000 . 955 108 108 VAL CB C 36.484 0.000 . 956 108 108 VAL CG1 C 22.422 0.000 . 957 108 108 VAL CG2 C 21.719 0.000 . 958 108 108 VAL N N 121.656 0.000 . 959 109 109 LYS H H 9.417 0.000 . 960 109 109 LYS HA H 4.676 0.000 . 961 109 109 LYS HB2 H 1.611 0.000 . 962 109 109 LYS HB3 H 1.773 0.000 . 963 109 109 LYS HG2 H 1.378 0.000 . 964 109 109 LYS HD2 H 1.599 0.000 . 965 109 109 LYS CB C 37.187 0.000 . 966 109 109 LYS CG C 25.235 0.000 . 967 109 109 LYS N N 126.798 0.000 . 968 110 110 VAL H H 8.206 0.000 . 969 110 110 VAL HA H 4.676 0.000 . 970 110 110 VAL HB H 1.867 0.000 . 971 110 110 VAL HG1 H 0.882 0.000 . 972 110 110 VAL HG2 H 0.909 0.000 . 973 110 110 VAL CB C 33.672 0.000 . 974 110 110 VAL CG2 C 21.367 0.000 . 975 110 110 VAL N N 121.892 0.000 . 976 111 111 PHE H H 9.459 0.000 . 977 111 111 PHE HA H 4.995 0.000 . 978 111 111 PHE HB2 H 2.959 0.000 . 979 111 111 PHE HB3 H 2.927 0.000 . 980 111 111 PHE HD1 H 7.198 0.000 . 981 111 111 PHE HD2 H 7.198 0.000 . 982 111 111 PHE HE1 H 7.208 0.001 . 983 111 111 PHE HE2 H 7.208 0.001 . 984 111 111 PHE CA C 56.172 0.000 . 985 111 111 PHE CB C 42.109 0.000 . 986 111 111 PHE CD1 C 132.407 0.000 . 987 111 111 PHE CE1 C 131.000 0.000 . 988 111 111 PHE N N 126.578 0.000 . 989 112 112 ASN H H 10.663 0.000 . 990 112 112 ASN HA H 5.425 0.000 . 991 112 112 ASN HB2 H 3.008 0.000 . 992 112 112 ASN HB3 H 2.683 0.000 . 993 112 112 ASN HD21 H 7.630 0.000 . 994 112 112 ASN HD22 H 6.988 0.000 . 995 112 112 ASN CA C 52.656 0.000 . 996 112 112 ASN CB C 42.109 0.000 . 997 112 112 ASN N N 121.797 0.000 . 998 112 112 ASN ND2 N 113.547 0.000 . 999 113 113 ARG H H 9.138 0.000 . 1000 113 113 ARG HA H 4.435 0.000 . 1001 113 113 ARG HB2 H 2.170 0.000 . 1002 113 113 ARG HB3 H 2.064 0.000 . 1003 113 113 ARG HG2 H 1.874 0.000 . 1004 113 113 ARG HG3 H 1.690 0.000 . 1005 113 113 ARG HD2 H 3.453 0.000 . 1006 113 113 ARG HD3 H 3.357 0.000 . 1007 113 113 ARG CA C 59.687 0.000 . 1008 113 113 ARG CB C 30.859 0.000 . 1009 113 113 ARG CG C 27.344 0.000 . 1010 113 113 ARG CD C 43.164 0.000 . 1011 113 113 ARG N N 130.516 0.000 . 1012 114 114 GLU H H 8.924 0.000 . 1013 114 114 GLU HA H 4.142 0.000 . 1014 114 114 GLU HB2 H 2.099 0.000 . 1015 114 114 GLU HB3 H 1.943 0.000 . 1016 114 114 GLU HG2 H 2.372 0.000 . 1017 114 114 GLU HG3 H 2.301 0.000 . 1018 114 114 GLU CA C 58.281 0.000 . 1019 114 114 GLU CB C 29.453 0.000 . 1020 114 114 GLU CG C 36.484 0.000 . 1021 114 114 GLU N N 119.008 0.000 . 1022 115 115 ASP H H 7.356 0.000 . 1023 115 115 ASP HA H 4.869 0.000 . 1024 115 115 ASP HB2 H 3.086 0.000 . 1025 115 115 ASP HB3 H 2.673 0.000 . 1026 115 115 ASP CA C 54.062 0.000 . 1027 115 115 ASP CB C 42.109 0.000 . 1028 115 115 ASP N N 116.593 0.000 . 1029 116 116 GLY H H 7.918 0.000 . 1030 116 116 GLY HA2 H 4.345 0.000 . 1031 116 116 GLY HA3 H 3.753 0.000 . 1032 116 116 GLY CA C 44.922 0.000 . 1033 116 116 GLY N N 106.689 0.000 . 1034 117 117 ASP H H 7.220 0.000 . 1035 117 117 ASP HA H 4.632 0.000 . 1036 117 117 ASP HB2 H 2.671 0.000 . 1037 117 117 ASP HB3 H 2.314 0.000 . 1038 117 117 ASP CA C 55.468 0.000 . 1039 117 117 ASP CB C 41.406 0.000 . 1040 117 117 ASP N N 119.329 0.000 . 1041 118 118 GLU H H 8.626 0.000 . 1042 118 118 GLU HA H 4.240 0.000 . 1043 118 118 GLU HB2 H 1.925 0.000 . 1044 118 118 GLU HG2 H 2.242 0.000 . 1045 118 118 GLU HG3 H 2.123 0.000 . 1046 118 118 GLU CA C 56.875 0.000 . 1047 118 118 GLU CB C 29.453 0.000 . 1048 118 118 GLU CG C 35.781 0.000 . 1049 118 118 GLU N N 123.484 0.000 . 1050 119 119 LEU H H 8.106 0.000 . 1051 119 119 LEU HA H 4.759 0.000 . 1052 119 119 LEU HB2 H 1.474 0.000 . 1053 119 119 LEU HB3 H 1.290 0.000 . 1054 119 119 LEU HD1 H 0.630 0.000 . 1055 119 119 LEU HD2 H 0.752 0.000 . 1056 119 119 LEU CB C 44.219 0.000 . 1057 119 119 LEU CD1 C 25.938 0.000 . 1058 119 119 LEU CD2 C 23.828 0.000 . 1059 119 119 LEU N N 129.139 0.000 . 1060 120 120 PRO HB2 H 2.128 0.000 . 1061 120 120 PRO HG2 H 1.925 0.000 . 1062 120 120 PRO HG3 H 2.062 0.000 . 1063 120 120 PRO HD2 H 3.101 0.000 . 1064 120 120 PRO HD3 H 3.783 0.000 . 1065 120 120 PRO CB C 31.914 0.000 . 1066 120 120 PRO CG C 27.695 0.000 . 1067 120 120 PRO CD C 50.547 0.000 . 1068 121 121 PRO HA H 4.269 0.000 . 1069 121 121 PRO HB2 H 2.298 0.000 . 1070 121 121 PRO HB3 H 1.877 0.000 . 1071 121 121 PRO HG2 H 2.126 0.000 . 1072 121 121 PRO HG3 H 2.044 0.000 . 1073 121 121 PRO HD2 H 3.856 0.000 . 1074 121 121 PRO HD3 H 3.580 0.000 . 1075 121 121 PRO CA C 63.906 0.000 . 1076 121 121 PRO CB C 31.563 0.000 . 1077 121 121 PRO CG C 27.695 0.000 . 1078 121 121 PRO CD C 50.195 0.000 . 1079 122 122 GLY H H 8.827 0.000 . 1080 122 122 GLY HA2 H 4.218 0.000 . 1081 122 122 GLY HA3 H 3.721 0.000 . 1082 122 122 GLY CA C 45.625 0.000 . 1083 122 122 GLY N N 112.656 0.000 . 1084 123 123 VAL H H 7.845 0.000 . 1085 123 123 VAL HA H 4.017 0.000 . 1086 123 123 VAL HB H 2.131 0.000 . 1087 123 123 VAL HG1 H 0.865 0.000 . 1088 123 123 VAL HG2 H 0.735 0.000 . 1089 123 123 VAL CA C 62.851 0.000 . 1090 123 123 VAL CB C 32.266 0.000 . 1091 123 123 VAL CG1 C 22.422 0.000 . 1092 123 123 VAL CG2 C 22.422 0.000 . 1093 123 123 VAL N N 119.406 0.000 . 1094 124 124 ASN H H 9.206 0.000 . 1095 124 124 ASN HA H 4.877 0.000 . 1096 124 124 ASN HB2 H 2.922 0.000 . 1097 124 124 ASN HB3 H 2.765 0.000 . 1098 124 124 ASN HD21 H 7.238 0.000 . 1099 124 124 ASN HD22 H 7.546 0.000 . 1100 124 124 ASN CA C 54.765 0.000 . 1101 124 124 ASN CB C 40.000 0.000 . 1102 124 124 ASN N N 124.609 0.000 . 1103 124 124 ASN ND2 N 114.484 0.000 . 1104 125 125 GLN H H 7.756 0.000 . 1105 125 125 GLN HA H 5.234 0.000 . 1106 125 125 GLN HB2 H 1.912 0.000 . 1107 125 125 GLN HB3 H 2.194 0.000 . 1108 125 125 GLN HG2 H 2.397 0.000 . 1109 125 125 GLN HG3 H 2.512 0.000 . 1110 125 125 GLN HE21 H 6.994 0.000 . 1111 125 125 GLN HE22 H 6.951 0.000 . 1112 125 125 GLN CA C 56.172 0.000 . 1113 125 125 GLN CB C 33.672 0.000 . 1114 125 125 GLN CG C 34.922 0.442 . 1115 125 125 GLN N N 117.959 0.000 . 1116 125 125 GLN NE2 N 110.031 0.000 . 1117 126 126 LEU H H 8.866 0.000 . 1118 126 126 LEU HA H 5.261 0.000 . 1119 126 126 LEU HB2 H 1.715 0.000 . 1120 126 126 LEU HB3 H 1.437 0.000 . 1121 126 126 LEU HD1 H 0.894 0.000 . 1122 126 126 LEU HD2 H 0.704 0.000 . 1123 126 126 LEU CA C 54.765 0.000 . 1124 126 126 LEU CB C 47.734 0.000 . 1125 126 126 LEU CD1 C 24.883 0.000 . 1126 126 126 LEU CD2 C 25.235 0.000 . 1127 126 126 LEU N N 125.559 0.000 . 1128 127 127 VAL H H 9.367 0.000 . 1129 127 127 VAL HA H 5.127 0.000 . 1130 127 127 VAL HB H 1.943 0.000 . 1131 127 127 VAL HG1 H 0.894 0.000 . 1132 127 127 VAL HG2 H 0.987 0.000 . 1133 127 127 VAL CA C 60.390 0.000 . 1134 127 127 VAL CB C 35.078 0.000 . 1135 127 127 VAL CG1 C 22.422 0.000 . 1136 127 127 VAL CG2 C 21.367 0.000 . 1137 127 127 VAL N N 126.578 0.000 . 1138 128 128 ARG H H 9.502 0.000 . 1139 128 128 ARG HA H 5.259 0.000 . 1140 128 128 ARG HB2 H 1.736 0.000 . 1141 128 128 ARG HB3 H 1.664 0.000 . 1142 128 128 ARG HG2 H 1.307 0.000 . 1143 128 128 ARG HG3 H 1.557 0.000 . 1144 128 128 ARG HD2 H 3.233 0.000 . 1145 128 128 ARG CA C 54.765 0.000 . 1146 128 128 ARG CB C 33.672 0.000 . 1147 128 128 ARG CG C 28.750 0.000 . 1148 128 128 ARG CD C 43.516 0.000 . 1149 128 128 ARG N N 126.578 0.000 . 1150 129 129 VAL H H 9.051 0.000 . 1151 129 129 VAL HA H 4.489 0.000 . 1152 129 129 VAL HB H 1.837 0.000 . 1153 129 129 VAL HG1 H 1.014 0.000 . 1154 129 129 VAL HG2 H 0.808 0.000 . 1155 129 129 VAL CA C 61.093 0.000 . 1156 129 129 VAL CB C 35.078 0.000 . 1157 129 129 VAL CG1 C 23.125 0.000 . 1158 129 129 VAL CG2 C 21.719 0.000 . 1159 129 129 VAL N N 123.977 0.000 . 1160 130 130 TYR H H 8.650 0.000 . 1161 130 130 TYR HA H 5.419 0.000 . 1162 130 130 TYR HB2 H 3.016 0.000 . 1163 130 130 TYR HB3 H 2.754 0.000 . 1164 130 130 TYR HD1 H 6.971 0.000 . 1165 130 130 TYR HD2 H 6.971 0.000 . 1166 130 130 TYR HE1 H 6.659 0.000 . 1167 130 130 TYR HE2 H 6.659 0.000 . 1168 130 130 TYR CA C 56.172 0.000 . 1169 130 130 TYR CB C 39.297 0.000 . 1170 130 130 TYR CD1 C 133.286 0.000 . 1171 130 130 TYR CE1 C 118.691 0.000 . 1172 130 130 TYR N N 124.673 0.000 . 1173 131 131 ILE H H 9.509 0.000 . 1174 131 131 ILE HA H 4.869 0.000 . 1175 131 131 ILE HB H 2.013 0.000 . 1176 131 131 ILE HG13 H 1.747 0.000 . 1177 131 131 ILE HG2 H 0.758 0.000 . 1178 131 131 ILE HD1 H 0.704 0.000 . 1179 131 131 ILE CB C 40.000 0.000 . 1180 131 131 ILE CG1 C 28.047 0.000 . 1181 131 131 ILE CG2 C 16.446 0.000 . 1182 131 131 ILE CD1 C 13.282 0.000 . 1183 131 131 ILE N N 125.227 0.000 . 1184 132 132 VAL H H 9.606 0.000 . 1185 132 132 VAL HA H 4.729 0.001 . 1186 132 132 VAL HB H 1.946 0.000 . 1187 132 132 VAL HG1 H 0.968 0.000 . 1188 132 132 VAL HG2 H 0.902 0.000 . 1189 132 132 VAL CA C 61.093 0.000 . 1190 132 132 VAL CB C 33.672 0.000 . 1191 132 132 VAL CG1 C 21.016 0.000 . 1192 132 132 VAL CG2 C 22.422 0.000 . 1193 132 132 VAL N N 126.859 0.000 . 1194 133 133 GLN H H 9.153 0.000 . 1195 133 133 GLN HA H 4.751 0.000 . 1196 133 133 GLN HB2 H 2.052 0.000 . 1197 133 133 GLN HB3 H 2.083 0.000 . 1198 133 133 GLN HG2 H 2.361 0.000 . 1199 133 133 GLN HG3 H 2.477 0.000 . 1200 133 133 GLN HE21 H 7.551 0.000 . 1201 133 133 GLN HE22 H 6.976 0.000 . 1202 133 133 GLN CA C 54.765 0.000 . 1203 133 133 GLN CB C 31.563 0.000 . 1204 133 133 GLN CG C 34.375 0.000 . 1205 133 133 GLN N N 128.406 0.000 . 1206 133 133 GLN NE2 N 111.203 0.000 . 1207 134 134 LYS H H 8.561 0.000 . 1208 134 134 LYS HA H 4.725 0.000 . 1209 134 134 LYS HB2 H 1.693 0.000 . 1210 134 134 LYS HG2 H 1.450 0.000 . 1211 134 134 LYS HG3 H 1.310 0.000 . 1212 134 134 LYS HD3 H 1.664 0.000 . 1213 134 134 LYS HE2 H 2.931 0.000 . 1214 134 134 LYS HE3 H 2.900 0.000 . 1215 134 134 LYS CA C 56.172 0.000 . 1216 134 134 LYS CB C 33.320 0.000 . 1217 134 134 LYS CG C 25.235 0.000 . 1218 134 134 LYS CE C 42.109 0.000 . 1219 134 134 LYS N N 122.929 0.000 . 1220 135 135 ARG H H 8.596 0.000 . 1221 135 135 ARG HA H 4.503 0.000 . 1222 135 135 ARG HB2 H 1.783 0.000 . 1223 135 135 ARG HB3 H 1.697 0.000 . 1224 135 135 ARG HG2 H 1.543 0.000 . 1225 135 135 ARG HD2 H 3.062 0.000 . 1226 135 135 ARG CA C 55.468 0.000 . 1227 135 135 ARG CB C 32.266 0.000 . 1228 135 135 ARG CG C 27.344 0.000 . 1229 135 135 ARG CD C 43.516 0.000 . 1230 135 135 ARG N N 123.484 0.000 . 1231 136 136 LYS H H 8.608 0.000 . 1232 136 136 LYS HA H 4.467 0.000 . 1233 136 136 LYS HB2 H 1.789 0.000 . 1234 136 136 LYS HB3 H 1.679 0.000 . 1235 136 136 LYS HG2 H 1.423 0.000 . 1236 136 136 LYS HG3 H 1.350 0.000 . 1237 136 136 LYS HD2 H 1.669 0.000 . 1238 136 136 LYS HE2 H 2.992 0.000 . 1239 136 136 LYS CA C 56.172 0.000 . 1240 136 136 LYS CB C 32.969 0.000 . 1241 136 136 LYS CG C 25.235 0.000 . 1242 136 136 LYS CD C 29.453 0.000 . 1243 136 136 LYS CE C 42.109 0.000 . 1244 136 136 LYS N N 123.906 0.000 . 1245 137 137 ILE H H 8.353 0.000 . 1246 137 137 ILE HA H 4.184 0.000 . 1247 137 137 ILE HB H 1.808 0.000 . 1248 137 137 ILE HG12 H 1.416 0.000 . 1249 137 137 ILE HG13 H 1.128 0.000 . 1250 137 137 ILE HG2 H 0.884 0.000 . 1251 137 137 ILE HD1 H 0.796 0.000 . 1252 137 137 ILE CA C 61.093 0.000 . 1253 137 137 ILE CB C 38.594 0.000 . 1254 137 137 ILE CG1 C 27.344 0.000 . 1255 137 137 ILE CG2 C 17.500 0.000 . 1256 137 137 ILE CD1 C 13.282 0.000 . 1257 137 137 ILE N N 123.571 0.000 . 1258 138 138 SER H H 8.410 0.000 . 1259 138 138 SER HA H 4.503 0.000 . 1260 138 138 SER HB2 H 3.863 0.000 . 1261 138 138 SER HB3 H 3.824 0.000 . 1262 138 138 SER CA C 58.281 0.000 . 1263 138 138 SER CB C 63.906 0.000 . 1264 138 138 SER N N 119.547 0.000 . 1265 139 139 GLU H H 8.489 0.000 . 1266 139 139 GLU HA H 4.307 0.000 . 1267 139 139 GLU HB2 H 2.067 0.000 . 1268 139 139 GLU HB3 H 1.940 0.000 . 1269 139 139 GLU HG2 H 2.328 0.000 . 1270 139 139 GLU HG3 H 2.255 0.000 . 1271 139 139 GLU CA C 56.875 0.000 . 1272 139 139 GLU CB C 30.156 0.000 . 1273 139 139 GLU CG C 36.484 0.000 . 1274 139 139 GLU N N 123.281 0.000 . 1275 140 140 GLY H H 8.418 0.000 . 1276 140 140 GLY HA2 H 3.992 0.000 . 1277 140 140 GLY CA C 45.625 0.000 . 1278 140 140 GLY N N 109.792 0.000 . 1279 141 141 ASP H H 8.258 0.000 . 1280 141 141 ASP HA H 4.619 0.000 . 1281 141 141 ASP HB2 H 2.753 0.000 . 1282 141 141 ASP HB3 H 2.700 0.000 . 1283 141 141 ASP CA C 54.062 0.000 . 1284 141 141 ASP CB C 41.406 0.000 . 1285 141 141 ASP N N 120.511 0.000 . stop_ save_