data_19628 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the protein NP_419126.1 from CAULOBACTER CRESCENTUS ; _BMRB_accession_number 19628 _BMRB_flat_file_name bmr19628.str _Entry_type original _Submission_date 2013-11-21 _Accession_date 2013-11-21 _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 Serrano Pedro . . 2 Dutta Samit K. . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 409 "13C chemical shifts" 302 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-03 original author . stop_ _Original_release_date 2014-03-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the protein NP_419126.1 from CAULOBACTER CRESCENTUS' _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 Serrano Pedro . . 2 Dutta Samit K. . 3 Geralt Michael . . 4 Wuthrich Kurt . . 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 'protein NP_419126.1 from CAULOBACTER CRESCENTUS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $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 entity _Molecular_mass 16470.863 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MPDKQLLHIVVGGELKDVAG VEFRDLSKVEFVGAYPSYDE AHKAWKAKAQATVDNAHARY FIIHAHKLLDPSEG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 ASP 4 LYS 5 GLN 6 LEU 7 LEU 8 HIS 9 ILE 10 VAL 11 VAL 12 GLY 13 GLY 14 GLU 15 LEU 16 LYS 17 ASP 18 VAL 19 ALA 20 GLY 21 VAL 22 GLU 23 PHE 24 ARG 25 ASP 26 LEU 27 SER 28 LYS 29 VAL 30 GLU 31 PHE 32 VAL 33 GLY 34 ALA 35 TYR 36 PRO 37 SER 38 TYR 39 ASP 40 GLU 41 ALA 42 HIS 43 LYS 44 ALA 45 TRP 46 LYS 47 ALA 48 LYS 49 ALA 50 GLN 51 ALA 52 THR 53 VAL 54 ASP 55 ASN 56 ALA 57 HIS 58 ALA 59 ARG 60 TYR 61 PHE 62 ILE 63 ILE 64 HIS 65 ALA 66 HIS 67 LYS 68 LEU 69 LEU 70 ASP 71 PRO 72 SER 73 GLU 74 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MHE "Nmr Structure Of The Protein Np_419126.1 From Caulobacter Crescentus" 100.00 74 100.00 100.00 9.24e-46 GB AAK22294 "hypothetical protein CC_0307 [Caulobacter crescentus CB15]" 100.00 74 100.00 100.00 9.24e-46 GB ACL93776 "conserved hypothetical protein [Caulobacter crescentus NA1000]" 100.00 77 100.00 100.00 6.70e-46 REF NP_419126 "hypothetical protein CC_0307 [Caulobacter crescentus CB15]" 100.00 74 100.00 100.00 9.24e-46 REF WP_010918196 "inositol monophosphatase [Caulobacter vibrioides]" 100.00 74 100.00 100.00 9.24e-46 REF WP_012639934 "inositol monophosphatase [Caulobacter vibrioides]" 100.00 77 100.00 100.00 6.70e-46 REF YP_002515684 "conserved hypothetical protein [Caulobacter crescentus NA1000]" 100.00 77 100.00 100.00 6.70e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Caulobacter vibrioides' 155892 Bacteria . Caulobacter crescentus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity 'recombinant technology' . Escherichia coli BL21 DE3 pSpeedET 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 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' $entity 1.2 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' refinement stop_ _Details . save_ save_j-UNIO _Saveframe_category software _Name j-UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_mbavance601 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_mbavance801 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_4D_HACANH_APSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HACANH APSY' _Sample_label $sample_1 save_ save_5D_HACACONH_APSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HACACONH APSY' _Sample_label $sample_1 save_ save_5D_CBCACONH_APSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D CBCACONH APSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0798 . M pH 6.0 . pH pressure 1 . atm temperature 308 . 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 '4D HACANH APSY' '5D HACACONH APSY' '5D CBCACONH APSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 PRO HA H 4.536 0.008 . 2 2 2 PRO HB2 H 2.386 0.008 . 3 2 2 PRO HB3 H 2.019 0.008 . 4 2 2 PRO HG2 H 2.110 0.008 . 5 2 2 PRO HG3 H 2.110 0.008 . 6 2 2 PRO HD2 H 3.929 0.008 . 7 2 2 PRO HD3 H 3.772 0.008 . 8 2 2 PRO C C 176.988 0.18 . 9 2 2 PRO CA C 63.332 0.18 . 10 2 2 PRO CB C 32.241 0.18 . 11 2 2 PRO CG C 27.636 0.18 . 12 2 2 PRO CD C 50.658 0.18 . 13 3 3 ASP H H 8.439 0.008 . 14 3 3 ASP HA H 4.626 0.008 . 15 3 3 ASP HB2 H 2.694 0.008 . 16 3 3 ASP HB3 H 2.762 0.008 . 17 3 3 ASP C C 176.550 0.18 . 18 3 3 ASP CA C 54.584 0.18 . 19 3 3 ASP CB C 41.274 0.18 . 20 3 3 ASP N N 120.121 0.11 . 21 4 4 LYS H H 8.145 0.008 . 22 4 4 LYS HA H 4.451 0.008 . 23 4 4 LYS HB2 H 1.894 0.008 . 24 4 4 LYS HB3 H 1.824 0.008 . 25 4 4 LYS HG2 H 1.471 0.008 . 26 4 4 LYS HG3 H 1.511 0.008 . 27 4 4 LYS HD2 H 1.765 0.008 . 28 4 4 LYS HE2 H 3.072 0.008 . 29 4 4 LYS HE3 H 3.072 0.008 . 30 4 4 LYS C C 176.439 0.18 . 31 4 4 LYS CA C 55.908 0.18 . 32 4 4 LYS CB C 33.819 0.18 . 33 4 4 LYS CG C 24.811 0.18 . 34 4 4 LYS CD C 29.222 0.18 . 35 4 4 LYS CE C 42.446 0.18 . 36 4 4 LYS N N 120.298 0.11 . 37 5 5 GLN H H 8.666 0.008 . 38 5 5 GLN HA H 4.463 0.008 . 39 5 5 GLN HB2 H 2.215 0.008 . 40 5 5 GLN HB3 H 2.162 0.008 . 41 5 5 GLN HG2 H 2.500 0.008 . 42 5 5 GLN HG3 H 2.282 0.008 . 43 5 5 GLN HE21 H 7.811 0.008 . 44 5 5 GLN HE22 H 7.216 0.008 . 45 5 5 GLN C C 175.305 0.18 . 46 5 5 GLN CA C 56.317 0.18 . 47 5 5 GLN CB C 30.468 0.18 . 48 5 5 GLN CG C 35.092 0.18 . 49 5 5 GLN N N 122.085 0.11 . 50 5 5 GLN NE2 N 110.486 0.11 . 51 6 6 LEU H H 8.414 0.008 . 52 6 6 LEU HA H 4.773 0.008 . 53 6 6 LEU HB2 H 1.570 0.008 . 54 6 6 LEU HB3 H 1.914 0.008 . 55 6 6 LEU HG H 1.686 0.008 . 56 6 6 LEU HD1 H 0.977 0.008 . 57 6 6 LEU HD2 H 1.012 0.008 . 58 6 6 LEU C C 176.477 0.18 . 59 6 6 LEU CA C 54.069 0.18 . 60 6 6 LEU CB C 42.540 0.18 . 61 6 6 LEU CG C 27.083 0.18 . 62 6 6 LEU CD1 C 24.260 0.18 . 63 6 6 LEU CD2 C 25.631 0.18 . 64 6 6 LEU N N 127.607 0.11 . 65 7 7 LEU H H 8.378 0.008 . 66 7 7 LEU HA H 4.587 0.008 . 67 7 7 LEU HB2 H 1.693 0.008 . 68 7 7 LEU HB3 H 2.008 0.008 . 69 7 7 LEU HG H 1.566 0.008 . 70 7 7 LEU HD1 H 1.090 0.008 . 71 7 7 LEU HD2 H 1.017 0.008 . 72 7 7 LEU C C 176.499 0.18 . 73 7 7 LEU CA C 57.062 0.18 . 74 7 7 LEU CB C 42.566 0.18 . 75 7 7 LEU CG C 27.575 0.18 . 76 7 7 LEU CD1 C 25.167 0.18 . 77 7 7 LEU CD2 C 26.436 0.18 . 78 7 7 LEU N N 124.306 0.11 . 79 8 8 HIS H H 9.357 0.008 . 80 8 8 HIS HA H 5.791 0.008 . 81 8 8 HIS HB2 H 2.801 0.008 . 82 8 8 HIS HB3 H 2.801 0.008 . 83 8 8 HIS HD2 H 6.608 0.008 . 84 8 8 HIS HE1 H 8.421 0.008 . 85 8 8 HIS CA C 55.301 0.18 . 86 8 8 HIS CB C 33.539 0.18 . 87 8 8 HIS CD2 C 118.098 0.18 . 88 8 8 HIS CE1 C 136.921 0.18 . 89 8 8 HIS N N 124.882 0.11 . 90 9 9 ILE H H 9.622 0.008 . 91 9 9 ILE HA H 5.559 0.008 . 92 9 9 ILE HB H 1.981 0.008 . 93 9 9 ILE HG12 H 1.389 0.008 . 94 9 9 ILE HG13 H 1.737 0.008 . 95 9 9 ILE HG2 H 0.872 0.008 . 96 9 9 ILE HD1 H 1.047 0.008 . 97 9 9 ILE CA C 59.010 0.18 . 98 9 9 ILE CB C 42.600 0.18 . 99 9 9 ILE CG1 C 28.452 0.18 . 100 9 9 ILE CG2 C 15.430 0.18 . 101 9 9 ILE CD1 C 14.365 0.18 . 102 9 9 ILE N N 119.723 0.11 . 103 10 10 VAL H H 8.546 0.008 . 104 10 10 VAL HA H 5.581 0.008 . 105 10 10 VAL HB H 2.044 0.008 . 106 10 10 VAL HG1 H 1.189 0.008 . 107 10 10 VAL HG2 H 1.164 0.008 . 108 10 10 VAL CA C 61.294 0.18 . 109 10 10 VAL CB C 34.158 0.18 . 110 10 10 VAL CG1 C 23.746 0.18 . 111 10 10 VAL CG2 C 17.965 0.18 . 112 10 10 VAL N N 124.236 0.11 . 113 11 11 VAL H H 8.760 0.008 . 114 11 11 VAL HA H 5.743 0.008 . 115 11 11 VAL HB H 2.072 0.008 . 116 11 11 VAL HG1 H 0.856 0.008 . 117 11 11 VAL HG2 H 0.936 0.008 . 118 11 11 VAL CA C 58.090 0.18 . 119 11 11 VAL CB C 36.591 0.18 . 120 11 11 VAL CG1 C 18.712 0.18 . 121 11 11 VAL CG2 C 22.016 0.18 . 122 11 11 VAL N N 119.677 0.11 . 123 12 12 GLY H H 8.900 0.008 . 124 12 12 GLY HA2 H 3.457 0.008 . 125 12 12 GLY HA3 H 5.024 0.008 . 126 12 12 GLY CA C 46.567 0.18 . 127 12 12 GLY N N 107.410 0.11 . 128 13 13 GLY H H 8.402 0.008 . 129 13 13 GLY HA2 H 4.068 0.008 . 130 13 13 GLY HA3 H 4.139 0.008 . 131 13 13 GLY C C 172.290 0.18 . 132 13 13 GLY CA C 45.021 0.18 . 133 13 13 GLY N N 103.550 0.11 . 134 14 14 GLU H H 8.628 0.008 . 135 14 14 GLU HA H 4.607 0.008 . 136 14 14 GLU HB2 H 2.032 0.008 . 137 14 14 GLU HB3 H 2.032 0.008 . 138 14 14 GLU HG2 H 2.458 0.008 . 139 14 14 GLU HG3 H 2.188 0.008 . 140 14 14 GLU C C 177.819 0.18 . 141 14 14 GLU CA C 56.488 0.18 . 142 14 14 GLU CB C 31.001 0.18 . 143 14 14 GLU CG C 37.008 0.18 . 144 14 14 GLU N N 118.735 0.11 . 145 15 15 LEU H H 9.143 0.008 . 146 15 15 LEU HA H 4.872 0.008 . 147 15 15 LEU HB2 H 1.761 0.008 . 148 15 15 LEU HB3 H 1.761 0.008 . 149 15 15 LEU HG H 1.820 0.008 . 150 15 15 LEU HD1 H 0.439 0.008 . 151 15 15 LEU HD2 H 1.051 0.008 . 152 15 15 LEU C C 178.742 0.18 . 153 15 15 LEU CA C 54.321 0.18 . 154 15 15 LEU CB C 42.981 0.18 . 155 15 15 LEU CG C 27.205 0.18 . 156 15 15 LEU CD1 C 23.168 0.18 . 157 15 15 LEU CD2 C 26.552 0.18 . 158 15 15 LEU N N 125.767 0.11 . 159 16 16 LYS H H 8.700 0.008 . 160 16 16 LYS HA H 4.157 0.008 . 161 16 16 LYS HB2 H 1.737 0.008 . 162 16 16 LYS HB3 H 1.579 0.008 . 163 16 16 LYS HG2 H 1.346 0.008 . 164 16 16 LYS HG3 H 1.311 0.008 . 165 16 16 LYS HD2 H 1.655 0.008 . 166 16 16 LYS HD3 H 1.655 0.008 . 167 16 16 LYS HE2 H 3.027 0.008 . 168 16 16 LYS HE3 H 3.027 0.008 . 169 16 16 LYS CA C 57.359 0.18 . 170 16 16 LYS CB C 34.874 0.18 . 171 16 16 LYS CG C 26.198 0.18 . 172 16 16 LYS CD C 29.838 0.18 . 173 16 16 LYS CE C 42.386 0.18 . 174 16 16 LYS N N 120.328 0.11 . 175 17 17 ASP H H 8.491 0.008 . 176 17 17 ASP HA H 4.864 0.008 . 177 17 17 ASP HB2 H 2.610 0.008 . 178 17 17 ASP HB3 H 2.774 0.008 . 179 17 17 ASP CA C 53.484 0.18 . 180 17 17 ASP CB C 40.908 0.18 . 181 17 17 ASP N N 121.541 0.11 . 182 18 18 VAL H H 7.905 0.008 . 183 18 18 VAL HA H 4.333 0.008 . 184 18 18 VAL HB H 2.243 0.008 . 185 18 18 VAL HG1 H 0.914 0.008 . 186 18 18 VAL HG2 H 0.828 0.008 . 187 18 18 VAL C C 175.600 0.18 . 188 18 18 VAL CA C 61.089 0.18 . 189 18 18 VAL CB C 34.254 0.18 . 190 18 18 VAL CG1 C 21.740 0.18 . 191 18 18 VAL CG2 C 19.359 0.18 . 192 18 18 VAL N N 117.413 0.11 . 193 19 19 ALA H H 8.238 0.008 . 194 19 19 ALA HA H 4.393 0.008 . 195 19 19 ALA HB H 1.437 0.008 . 196 19 19 ALA C C 178.737 0.18 . 197 19 19 ALA CA C 52.941 0.18 . 198 19 19 ALA CB C 18.997 0.18 . 199 19 19 ALA N N 122.852 0.11 . 200 20 20 GLY H H 8.055 0.008 . 201 20 20 GLY HA2 H 4.071 0.008 . 202 20 20 GLY HA3 H 4.003 0.008 . 203 20 20 GLY C C 173.316 0.18 . 204 20 20 GLY CA C 44.611 0.18 . 205 20 20 GLY N N 107.686 0.11 . 206 21 21 VAL H H 8.138 0.008 . 207 21 21 VAL HA H 3.950 0.008 . 208 21 21 VAL HB H 1.845 0.008 . 209 21 21 VAL HG1 H 0.770 0.008 . 210 21 21 VAL HG2 H 0.264 0.008 . 211 21 21 VAL C C 174.804 0.18 . 212 21 21 VAL CA C 62.027 0.18 . 213 21 21 VAL CB C 32.034 0.18 . 214 21 21 VAL CG1 C 20.448 0.18 . 215 21 21 VAL CG2 C 22.035 0.18 . 216 21 21 VAL N N 117.897 0.11 . 217 22 22 GLU H H 8.320 0.008 . 218 22 22 GLU HA H 4.320 0.008 . 219 22 22 GLU HB2 H 1.801 0.008 . 220 22 22 GLU HB3 H 1.750 0.008 . 221 22 22 GLU HG2 H 2.113 0.008 . 222 22 22 GLU HG3 H 2.236 0.008 . 223 22 22 GLU CA C 54.905 0.18 . 224 22 22 GLU CB C 32.883 0.18 . 225 22 22 GLU CG C 36.705 0.18 . 226 22 22 GLU N N 124.637 0.11 . 227 23 23 PHE H H 8.955 0.008 . 228 23 23 PHE HA H 4.695 0.008 . 229 23 23 PHE HB2 H 2.586 0.008 . 230 23 23 PHE HB3 H 3.221 0.008 . 231 23 23 PHE HD1 H 7.116 0.008 . 232 23 23 PHE HD2 H 7.116 0.008 . 233 23 23 PHE C C 177.013 0.18 . 234 23 23 PHE CA C 59.019 0.18 . 235 23 23 PHE CB C 38.771 0.18 . 236 23 23 PHE CD2 C 130.592 0.18 . 237 23 23 PHE CE2 C 130.067 0.18 . 238 23 23 PHE N N 124.102 0.11 . 239 24 24 ARG H H 8.753 0.008 . 240 24 24 ARG HA H 3.868 0.008 . 241 24 24 ARG HB2 H 1.586 0.008 . 242 24 24 ARG HB3 H 1.702 0.008 . 243 24 24 ARG HG2 H 1.583 0.008 . 244 24 24 ARG HG3 H 1.544 0.008 . 245 24 24 ARG HD2 H 3.206 0.008 . 246 24 24 ARG C C 176.567 0.18 . 247 24 24 ARG CA C 59.302 0.18 . 248 24 24 ARG CB C 30.855 0.18 . 249 24 24 ARG CG C 27.411 0.18 . 250 24 24 ARG CD C 43.522 0.18 . 251 24 24 ARG N N 121.555 0.11 . 252 25 25 ASP H H 8.968 0.008 . 253 25 25 ASP HA H 4.791 0.008 . 254 25 25 ASP HB2 H 2.754 0.008 . 255 25 25 ASP HB3 H 2.494 0.008 . 256 25 25 ASP C C 177.266 0.18 . 257 25 25 ASP CA C 52.808 0.18 . 258 25 25 ASP CB C 41.962 0.18 . 259 25 25 ASP N N 116.629 0.11 . 260 26 26 LEU H H 9.127 0.008 . 261 26 26 LEU HA H 3.956 0.008 . 262 26 26 LEU HB2 H 1.742 0.008 . 263 26 26 LEU HB3 H 1.414 0.008 . 264 26 26 LEU HG H 1.768 0.008 . 265 26 26 LEU HD1 H 0.776 0.008 . 266 26 26 LEU HD2 H 0.809 0.008 . 267 26 26 LEU C C 178.850 0.18 . 268 26 26 LEU CA C 57.354 0.18 . 269 26 26 LEU CB C 40.910 0.18 . 270 26 26 LEU CG C 27.443 0.18 . 271 26 26 LEU CD1 C 24.691 0.18 . 272 26 26 LEU CD2 C 26.168 0.18 . 273 26 26 LEU N N 125.814 0.11 . 274 27 27 SER H H 8.538 0.008 . 275 27 27 SER HA H 4.454 0.008 . 276 27 27 SER HB2 H 4.126 0.008 . 277 27 27 SER HB3 H 4.032 0.008 . 278 27 27 SER C C 175.696 0.18 . 279 27 27 SER CA C 60.804 0.18 . 280 27 27 SER CB C 63.311 0.18 . 281 27 27 SER N N 113.793 0.11 . 282 28 28 LYS H H 7.703 0.008 . 283 28 28 LYS HA H 4.621 0.008 . 284 28 28 LYS HB2 H 1.704 0.008 . 285 28 28 LYS HB3 H 2.227 0.008 . 286 28 28 LYS HG2 H 1.295 0.008 . 287 28 28 LYS HG3 H 1.440 0.008 . 288 28 28 LYS HD2 H 1.722 0.008 . 289 28 28 LYS HD3 H 1.656 0.008 . 290 28 28 LYS HE2 H 3.006 0.008 . 291 28 28 LYS HE3 H 3.006 0.008 . 292 28 28 LYS C C 177.281 0.18 . 293 28 28 LYS CA C 54.663 0.18 . 294 28 28 LYS CB C 33.076 0.18 . 295 28 28 LYS CG C 25.072 0.18 . 296 28 28 LYS CD C 28.836 0.18 . 297 28 28 LYS CE C 42.145 0.18 . 298 28 28 LYS N N 120.122 0.11 . 299 29 29 VAL H H 6.903 0.008 . 300 29 29 VAL HA H 3.873 0.008 . 301 29 29 VAL HB H 1.763 0.008 . 302 29 29 VAL HG1 H 0.421 0.008 . 303 29 29 VAL CA C 63.625 0.18 . 304 29 29 VAL CB C 32.440 0.18 . 305 29 29 VAL CG1 C 22.783 0.18 . 306 29 29 VAL N N 120.916 0.11 . 307 30 30 GLU H H 9.222 0.008 . 308 30 30 GLU HA H 4.394 0.008 . 309 30 30 GLU HB2 H 1.900 0.008 . 310 30 30 GLU HB3 H 1.900 0.008 . 311 30 30 GLU HG2 H 2.339 0.008 . 312 30 30 GLU HG3 H 1.952 0.008 . 313 30 30 GLU CA C 54.427 0.18 . 314 30 30 GLU CB C 32.178 0.18 . 315 30 30 GLU CG C 35.814 0.18 . 316 30 30 GLU N N 127.248 0.11 . 317 31 31 PHE H H 8.809 0.008 . 318 31 31 PHE HA H 4.476 0.008 . 319 31 31 PHE HB2 H 1.620 0.008 . 320 31 31 PHE HB3 H 1.727 0.008 . 321 31 31 PHE HD1 H 6.933 0.008 . 322 31 31 PHE HE1 H 7.179 0.008 . 323 31 31 PHE HE2 H 7.179 0.008 . 324 31 31 PHE CA C 56.433 0.18 . 325 31 31 PHE CB C 35.635 0.18 . 326 31 31 PHE CD1 C 131.645 0.18 . 327 31 31 PHE CD2 C 131.645 0.18 . 328 31 31 PHE CE1 C 129.434 0.18 . 329 31 31 PHE N N 126.351 0.11 . 330 32 32 VAL H H 8.397 0.008 . 331 32 32 VAL HA H 3.867 0.008 . 332 32 32 VAL HB H 1.848 0.008 . 333 32 32 VAL HG1 H 0.892 0.008 . 334 32 32 VAL HG2 H 0.865 0.008 . 335 32 32 VAL CA C 64.020 0.18 . 336 32 32 VAL CB C 32.074 0.18 . 337 32 32 VAL CG1 C 23.526 0.18 . 338 32 32 VAL CG2 C 20.468 0.18 . 339 32 32 VAL N N 128.354 0.11 . 340 33 33 GLY H H 8.167 0.008 . 341 33 33 GLY HA2 H 3.997 0.008 . 342 33 33 GLY HA3 H 3.266 0.008 . 343 33 33 GLY CA C 45.766 0.18 . 344 33 33 GLY N N 107.690 0.11 . 345 34 34 ALA H H 8.180 0.008 . 346 34 34 ALA HA H 5.154 0.008 . 347 34 34 ALA HB H 1.341 0.008 . 348 34 34 ALA CA C 49.819 0.18 . 349 34 34 ALA CB C 21.862 0.18 . 350 34 34 ALA N N 120.706 0.11 . 351 35 35 TYR H H 9.184 0.008 . 352 35 35 TYR HA H 4.943 0.008 . 353 35 35 TYR HB3 H 3.230 0.008 . 354 35 35 TYR HD1 H 7.030 0.008 . 355 35 35 TYR HD2 H 7.030 0.008 . 356 35 35 TYR CA C 56.327 0.18 . 357 35 35 TYR CB C 42.558 0.18 . 358 35 35 TYR CD1 C 132.204 0.18 . 359 35 35 TYR CD2 C 132.186 0.18 . 360 35 35 TYR CE1 C 118.868 0.18 . 361 35 35 TYR N N 115.457 0.11 . 362 36 36 PRO HA H 4.660 0.008 . 363 36 36 PRO HB2 H 2.224 0.008 . 364 36 36 PRO HB3 H 2.487 0.008 . 365 36 36 PRO HG2 H 2.393 0.008 . 366 36 36 PRO HG3 H 2.134 0.008 . 367 36 36 PRO HD2 H 3.944 0.008 . 368 36 36 PRO HD3 H 3.944 0.008 . 369 36 36 PRO C C 174.733 0.18 . 370 36 36 PRO CA C 63.939 0.18 . 371 36 36 PRO CB C 32.367 0.18 . 372 36 36 PRO CG C 26.885 0.18 . 373 36 36 PRO CD C 50.590 0.18 . 374 37 37 SER H H 7.325 0.008 . 375 37 37 SER HA H 4.819 0.008 . 376 37 37 SER HB2 H 4.228 0.008 . 377 37 37 SER HB3 H 4.144 0.008 . 378 37 37 SER C C 173.943 0.18 . 379 37 37 SER CA C 56.502 0.18 . 380 37 37 SER CB C 66.351 0.18 . 381 37 37 SER N N 109.883 0.11 . 382 38 38 TYR H H 9.212 0.008 . 383 38 38 TYR HA H 3.051 0.008 . 384 38 38 TYR HB2 H 2.788 0.008 . 385 38 38 TYR HB3 H 2.683 0.008 . 386 38 38 TYR HD1 H 6.951 0.008 . 387 38 38 TYR HD2 H 6.951 0.008 . 388 38 38 TYR HE1 H 6.534 0.008 . 389 38 38 TYR HE2 H 6.534 0.008 . 390 38 38 TYR C C 177.295 0.18 . 391 38 38 TYR CA C 62.073 0.18 . 392 38 38 TYR CB C 37.664 0.18 . 393 38 38 TYR CD1 C 131.952 0.18 . 394 38 38 TYR CD2 C 131.952 0.18 . 395 38 38 TYR CE1 C 117.076 0.18 . 396 38 38 TYR CE2 C 117.076 0.18 . 397 38 38 TYR N N 122.819 0.11 . 398 39 39 ASP H H 8.556 0.008 . 399 39 39 ASP HA H 4.221 0.008 . 400 39 39 ASP HB2 H 2.616 0.008 . 401 39 39 ASP HB3 H 2.646 0.008 . 402 39 39 ASP C C 179.740 0.18 . 403 39 39 ASP CA C 57.754 0.18 . 404 39 39 ASP CB C 40.895 0.18 . 405 39 39 ASP N N 116.964 0.11 . 406 40 40 GLU H H 7.762 0.008 . 407 40 40 GLU HA H 3.969 0.008 . 408 40 40 GLU HB2 H 2.352 0.008 . 409 40 40 GLU HB3 H 1.953 0.008 . 410 40 40 GLU HG2 H 2.433 0.008 . 411 40 40 GLU HG3 H 2.313 0.008 . 412 40 40 GLU C C 178.947 0.18 . 413 40 40 GLU CA C 59.212 0.18 . 414 40 40 GLU CB C 30.282 0.18 . 415 40 40 GLU CG C 37.306 0.18 . 416 40 40 GLU N N 116.783 0.11 . 417 41 41 ALA H H 7.325 0.008 . 418 41 41 ALA HA H 3.040 0.008 . 419 41 41 ALA HB H 1.183 0.008 . 420 41 41 ALA C C 178.474 0.18 . 421 41 41 ALA CA C 54.115 0.18 . 422 41 41 ALA CB C 18.548 0.18 . 423 41 41 ALA N N 122.522 0.11 . 424 42 42 HIS H H 9.119 0.008 . 425 42 42 HIS HA H 3.850 0.008 . 426 42 42 HIS HB2 H 2.362 0.008 . 427 42 42 HIS HB3 H 3.031 0.008 . 428 42 42 HIS HD2 H 6.710 0.008 . 429 42 42 HIS C C 177.400 0.18 . 430 42 42 HIS CA C 60.187 0.18 . 431 42 42 HIS CB C 29.999 0.18 . 432 42 42 HIS CD2 C 117.721 0.18 . 433 42 42 HIS N N 118.486 0.11 . 434 43 43 LYS H H 7.574 0.008 . 435 43 43 LYS HA H 3.855 0.008 . 436 43 43 LYS HB2 H 1.837 0.008 . 437 43 43 LYS HB3 H 1.730 0.008 . 438 43 43 LYS HG2 H 1.400 0.008 . 439 43 43 LYS HG3 H 1.655 0.008 . 440 43 43 LYS HD2 H 1.664 0.008 . 441 43 43 LYS HD3 H 1.664 0.008 . 442 43 43 LYS HE2 H 2.932 0.008 . 443 43 43 LYS HE3 H 2.932 0.008 . 444 43 43 LYS CA C 60.084 0.18 . 445 43 43 LYS CB C 32.696 0.18 . 446 43 43 LYS CG C 25.509 0.18 . 447 43 43 LYS CD C 29.855 0.18 . 448 43 43 LYS CE C 42.185 0.18 . 449 43 43 LYS N N 118.483 0.11 . 450 44 44 ALA H H 6.955 0.008 . 451 44 44 ALA HA H 3.967 0.008 . 452 44 44 ALA HB H 1.111 0.008 . 453 44 44 ALA C C 180.412 0.18 . 454 44 44 ALA CA C 54.705 0.18 . 455 44 44 ALA CB C 19.059 0.18 . 456 44 44 ALA N N 121.891 0.11 . 457 45 45 TRP H H 8.742 0.008 . 458 45 45 TRP HA H 3.434 0.008 . 459 45 45 TRP HB2 H 3.520 0.008 . 460 45 45 TRP HB3 H 2.886 0.008 . 461 45 45 TRP HD1 H 6.646 0.008 . 462 45 45 TRP HE1 H 9.523 0.008 . 463 45 45 TRP HE3 H 7.087 0.008 . 464 45 45 TRP HZ2 H 7.508 0.008 . 465 45 45 TRP HZ3 H 6.879 0.008 . 466 45 45 TRP HH2 H 7.087 0.008 . 467 45 45 TRP C C 176.748 0.18 . 468 45 45 TRP CA C 62.540 0.18 . 469 45 45 TRP CB C 29.142 0.18 . 470 45 45 TRP CD1 C 123.878 0.18 . 471 45 45 TRP CE3 C 123.441 0.18 . 472 45 45 TRP CZ2 C 113.763 0.18 . 473 45 45 TRP CZ3 C 127.138 0.18 . 474 45 45 TRP CH2 C 119.445 0.18 . 475 45 45 TRP N N 119.065 0.11 . 476 45 45 TRP NE1 N 129.475 0.11 . 477 46 46 LYS H H 8.666 0.008 . 478 46 46 LYS HA H 2.943 0.008 . 479 46 46 LYS HB2 H 1.724 0.008 . 480 46 46 LYS HG2 H 1.402 0.008 . 481 46 46 LYS HG3 H 1.402 0.008 . 482 46 46 LYS C C 178.523 0.18 . 483 46 46 LYS CA C 59.287 0.18 . 484 46 46 LYS CB C 32.537 0.18 . 485 46 46 LYS CG C 25.166 0.18 . 486 46 46 LYS N N 119.011 0.11 . 487 47 47 ALA H H 7.095 0.008 . 488 47 47 ALA HA H 3.960 0.008 . 489 47 47 ALA HB H 1.354 0.008 . 490 47 47 ALA C C 180.604 0.18 . 491 47 47 ALA CA C 54.203 0.18 . 492 47 47 ALA CB C 18.167 0.18 . 493 47 47 ALA N N 118.189 0.11 . 494 48 48 LYS H H 7.018 0.008 . 495 48 48 LYS HA H 3.760 0.008 . 496 48 48 LYS HB2 H 0.373 0.008 . 497 48 48 LYS HB3 H 1.034 0.008 . 498 48 48 LYS HG2 H 0.893 0.008 . 499 48 48 LYS HG3 H 0.504 0.008 . 500 48 48 LYS HD2 H 1.325 0.008 . 501 48 48 LYS HD3 H 1.266 0.008 . 502 48 48 LYS HE2 H 2.623 0.008 . 503 48 48 LYS HE3 H 2.589 0.008 . 504 48 48 LYS C C 178.378 0.18 . 505 48 48 LYS CA C 55.937 0.18 . 506 48 48 LYS CB C 30.409 0.18 . 507 48 48 LYS CG C 23.595 0.18 . 508 48 48 LYS CD C 27.547 0.18 . 509 48 48 LYS CE C 42.006 0.18 . 510 48 48 LYS N N 116.778 0.11 . 511 49 49 ALA H H 8.138 0.008 . 512 49 49 ALA HA H 3.760 0.008 . 513 49 49 ALA HB H 0.450 0.008 . 514 49 49 ALA C C 180.075 0.18 . 515 49 49 ALA CA C 54.077 0.18 . 516 49 49 ALA CB C 17.622 0.18 . 517 49 49 ALA N N 121.343 0.11 . 518 50 50 GLN H H 7.581 0.008 . 519 50 50 GLN HA H 4.119 0.008 . 520 50 50 GLN HB2 H 1.998 0.008 . 521 50 50 GLN HB3 H 2.036 0.008 . 522 50 50 GLN HG2 H 2.333 0.008 . 523 50 50 GLN HG3 H 2.333 0.008 . 524 50 50 GLN HE21 H 6.806 0.008 . 525 50 50 GLN HE22 H 7.383 0.008 . 526 50 50 GLN C C 176.838 0.18 . 527 50 50 GLN CA C 56.643 0.18 . 528 50 50 GLN CB C 28.810 0.18 . 529 50 50 GLN CG C 34.208 0.18 . 530 50 50 GLN N N 114.507 0.11 . 531 50 50 GLN NE2 N 110.875 0.11 . 532 51 51 ALA H H 7.346 0.008 . 533 51 51 ALA HA H 4.378 0.008 . 534 51 51 ALA HB H 1.454 0.008 . 535 51 51 ALA C C 178.394 0.18 . 536 51 51 ALA CA C 52.823 0.18 . 537 51 51 ALA CB C 19.355 0.18 . 538 51 51 ALA N N 121.078 0.11 . 539 52 52 THR H H 7.693 0.008 . 540 52 52 THR HA H 4.443 0.008 . 541 52 52 THR HB H 4.365 0.008 . 542 52 52 THR HG2 H 1.298 0.008 . 543 52 52 THR C C 175.345 0.18 . 544 52 52 THR CA C 61.884 0.18 . 545 52 52 THR CB C 69.455 0.18 . 546 52 52 THR CG2 C 21.926 0.18 . 547 52 52 THR N N 111.735 0.11 . 548 53 53 VAL H H 7.819 0.008 . 549 53 53 VAL HA H 4.135 0.008 . 550 53 53 VAL HB H 2.189 0.008 . 551 53 53 VAL HG1 H 0.981 0.008 . 552 53 53 VAL HG2 H 0.981 0.008 . 553 53 53 VAL C C 176.425 0.18 . 554 53 53 VAL CA C 63.005 0.18 . 555 53 53 VAL CB C 32.723 0.18 . 556 53 53 VAL CG1 C 21.207 0.18 . 557 53 53 VAL CG2 C 20.519 0.18 . 558 53 53 VAL N N 120.702 0.11 . 559 54 54 ASP H H 8.269 0.008 . 560 54 54 ASP HA H 4.606 0.008 . 561 54 54 ASP HB2 H 2.693 0.008 . 562 54 54 ASP HB3 H 2.778 0.008 . 563 54 54 ASP C C 176.471 0.18 . 564 54 54 ASP CA C 54.740 0.18 . 565 54 54 ASP CB C 41.158 0.18 . 566 54 54 ASP N N 120.122 0.11 . 567 55 55 ASN H H 8.196 0.008 . 568 55 55 ASN HA H 4.767 0.008 . 569 55 55 ASN HB2 H 2.978 0.008 . 570 55 55 ASN HB3 H 2.830 0.008 . 571 55 55 ASN HD21 H 7.618 0.008 . 572 55 55 ASN HD22 H 7.037 0.008 . 573 55 55 ASN C C 175.457 0.18 . 574 55 55 ASN CA C 53.082 0.18 . 575 55 55 ASN CB C 38.700 0.18 . 576 55 55 ASN N N 117.542 0.11 . 577 55 55 ASN ND2 N 111.758 0.11 . 578 56 56 ALA H H 8.288 0.008 . 579 56 56 ALA HA H 4.307 0.008 . 580 56 56 ALA HB H 1.375 0.008 . 581 56 56 ALA C C 178.144 0.18 . 582 56 56 ALA CA C 53.189 0.18 . 583 56 56 ALA CB C 19.270 0.18 . 584 56 56 ALA N N 122.962 0.11 . 585 57 57 HIS H H 8.378 0.008 . 586 57 57 HIS HA H 4.718 0.008 . 587 57 57 HIS HB2 H 3.218 0.008 . 588 57 57 HIS HB3 H 3.518 0.008 . 589 57 57 HIS HD2 H 7.318 0.008 . 590 57 57 HIS C C 174.283 0.18 . 591 57 57 HIS CA C 55.538 0.18 . 592 57 57 HIS CB C 29.348 0.18 . 593 57 57 HIS CD2 C 119.265 0.18 . 594 57 57 HIS N N 114.258 0.11 . 595 58 58 ALA H H 7.797 0.008 . 596 58 58 ALA HA H 4.301 0.008 . 597 58 58 ALA HB H 1.191 0.008 . 598 58 58 ALA C C 176.549 0.18 . 599 58 58 ALA CA C 52.249 0.18 . 600 58 58 ALA CB C 19.898 0.18 . 601 58 58 ALA N N 122.364 0.11 . 602 59 59 ARG H H 8.067 0.008 . 603 59 59 ARG HA H 4.577 0.008 . 604 59 59 ARG HB2 H 1.724 0.008 . 605 59 59 ARG HB3 H 1.724 0.008 . 606 59 59 ARG HG2 H 1.545 0.008 . 607 59 59 ARG HG3 H 1.545 0.008 . 608 59 59 ARG HD2 H 3.376 0.008 . 609 59 59 ARG HD3 H 3.326 0.008 . 610 59 59 ARG C C 174.047 0.18 . 611 59 59 ARG CA C 53.959 0.18 . 612 59 59 ARG CB C 34.241 0.18 . 613 59 59 ARG CG C 27.076 0.18 . 614 59 59 ARG CD C 42.982 0.18 . 615 59 59 ARG N N 120.664 0.11 . 616 60 60 TYR H H 8.608 0.008 . 617 60 60 TYR HA H 5.403 0.008 . 618 60 60 TYR HB2 H 2.719 0.008 . 619 60 60 TYR HB3 H 2.594 0.008 . 620 60 60 TYR HD1 H 6.717 0.008 . 621 60 60 TYR HD2 H 6.717 0.008 . 622 60 60 TYR HE1 H 6.459 0.008 . 623 60 60 TYR HE2 H 6.459 0.008 . 624 60 60 TYR C C 176.206 0.18 . 625 60 60 TYR CA C 57.256 0.18 . 626 60 60 TYR CB C 42.214 0.18 . 627 60 60 TYR CD1 C 131.539 0.18 . 628 60 60 TYR CD2 C 131.539 0.18 . 629 60 60 TYR CE1 C 116.722 0.18 . 630 60 60 TYR CE2 C 116.681 0.18 . 631 60 60 TYR N N 117.222 0.11 . 632 61 61 PHE H H 9.689 0.008 . 633 61 61 PHE HA H 5.294 0.008 . 634 61 61 PHE HB2 H 2.552 0.008 . 635 61 61 PHE HB3 H 3.235 0.008 . 636 61 61 PHE HD1 H 7.110 0.008 . 637 61 61 PHE HD2 H 7.110 0.008 . 638 61 61 PHE C C 174.358 0.18 . 639 61 61 PHE CA C 57.123 0.18 . 640 61 61 PHE CB C 45.819 0.18 . 641 61 61 PHE CD1 C 131.092 0.18 . 642 61 61 PHE CD2 C 131.132 0.18 . 643 61 61 PHE N N 117.727 0.11 . 644 62 62 ILE H H 9.106 0.008 . 645 62 62 ILE HA H 5.114 0.008 . 646 62 62 ILE HB H 1.802 0.008 . 647 62 62 ILE HG12 H 1.572 0.008 . 648 62 62 ILE HG13 H 0.911 0.008 . 649 62 62 ILE HG2 H 1.097 0.008 . 650 62 62 ILE HD1 H 0.418 0.008 . 651 62 62 ILE C C 174.937 0.18 . 652 62 62 ILE CA C 60.625 0.18 . 653 62 62 ILE CB C 41.174 0.18 . 654 62 62 ILE CG1 C 28.373 0.18 . 655 62 62 ILE CG2 C 19.170 0.18 . 656 62 62 ILE CD1 C 13.787 0.18 . 657 62 62 ILE N N 118.711 0.11 . 658 63 63 ILE H H 9.635 0.008 . 659 63 63 ILE HA H 4.732 0.008 . 660 63 63 ILE HB H 1.858 0.008 . 661 63 63 ILE HG12 H 1.739 0.008 . 662 63 63 ILE HG13 H 1.129 0.008 . 663 63 63 ILE HD1 H 0.892 0.008 . 664 63 63 ILE C C 176.218 0.18 . 665 63 63 ILE CA C 59.821 0.18 . 666 63 63 ILE CB C 42.541 0.18 . 667 63 63 ILE CG1 C 28.070 0.18 . 668 63 63 ILE CD1 C 16.939 0.18 . 669 63 63 ILE N N 125.236 0.11 . 670 64 64 HIS H H 9.442 0.008 . 671 64 64 HIS HA H 4.553 0.008 . 672 64 64 HIS HB2 H 2.853 0.008 . 673 64 64 HIS HB3 H 3.166 0.008 . 674 64 64 HIS HD2 H 6.647 0.008 . 675 64 64 HIS C C 174.365 0.18 . 676 64 64 HIS CA C 53.539 0.18 . 677 64 64 HIS CB C 30.765 0.18 . 678 64 64 HIS CD2 C 125.085 0.18 . 679 64 64 HIS N N 127.707 0.11 . 680 65 65 ALA H H 8.429 0.008 . 681 65 65 ALA HA H 4.555 0.008 . 682 65 65 ALA HB H 1.229 0.008 . 683 65 65 ALA C C 174.433 0.18 . 684 65 65 ALA CA C 50.374 0.18 . 685 65 65 ALA CB C 18.767 0.18 . 686 65 65 ALA N N 131.873 0.11 . 687 66 66 HIS H H 7.949 0.008 . 688 66 66 HIS HA H 4.171 0.008 . 689 66 66 HIS HB2 H 2.719 0.008 . 690 66 66 HIS HB3 H 2.998 0.008 . 691 66 66 HIS HD2 H 6.941 0.008 . 692 66 66 HIS HE1 H 7.937 0.008 . 693 66 66 HIS C C 175.249 0.18 . 694 66 66 HIS CA C 57.499 0.18 . 695 66 66 HIS CB C 30.570 0.18 . 696 66 66 HIS CD2 C 118.944 0.18 . 697 66 66 HIS CE1 C 106.664 0.18 . 698 66 66 HIS N N 120.753 0.11 . 699 67 67 LYS H H 7.537 0.008 . 700 67 67 LYS HA H 4.427 0.008 . 701 67 67 LYS HB2 H 1.659 0.008 . 702 67 67 LYS HB3 H 1.600 0.008 . 703 67 67 LYS HG2 H 1.236 0.008 . 704 67 67 LYS HD2 H 1.696 0.008 . 705 67 67 LYS HD3 H 1.696 0.008 . 706 67 67 LYS HE2 H 2.982 0.008 . 707 67 67 LYS HE3 H 2.982 0.008 . 708 67 67 LYS C C 174.799 0.18 . 709 67 67 LYS CA C 55.068 0.18 . 710 67 67 LYS CB C 34.784 0.18 . 711 67 67 LYS CG C 24.844 0.18 . 712 67 67 LYS CD C 29.293 0.18 . 713 67 67 LYS CE C 42.212 0.18 . 714 67 67 LYS N N 117.601 0.11 . 715 68 68 LEU H H 8.549 0.008 . 716 68 68 LEU HA H 4.447 0.008 . 717 68 68 LEU HB2 H 1.366 0.008 . 718 68 68 LEU HB3 H 1.009 0.008 . 719 68 68 LEU HG H 1.383 0.008 . 720 68 68 LEU HD1 H 0.441 0.008 . 721 68 68 LEU HD2 H 0.544 0.008 . 722 68 68 LEU C C 175.878 0.18 . 723 68 68 LEU CA C 54.463 0.18 . 724 68 68 LEU CB C 41.572 0.18 . 725 68 68 LEU CG C 27.670 0.18 . 726 68 68 LEU CD1 C 25.148 0.18 . 727 68 68 LEU CD2 C 24.250 0.18 . 728 68 68 LEU N N 127.238 0.11 . 729 69 69 LEU H H 9.061 0.008 . 730 69 69 LEU HA H 4.515 0.008 . 731 69 69 LEU HB2 H 2.083 0.008 . 732 69 69 LEU HB3 H 1.641 0.008 . 733 69 69 LEU HG H 1.804 0.008 . 734 69 69 LEU HD1 H 1.053 0.008 . 735 69 69 LEU HD2 H 0.927 0.008 . 736 69 69 LEU C C 176.630 0.18 . 737 69 69 LEU CA C 55.204 0.18 . 738 69 69 LEU CB C 42.232 0.18 . 739 69 69 LEU CG C 27.142 0.18 . 740 69 69 LEU CD1 C 25.348 0.18 . 741 69 69 LEU CD2 C 23.542 0.18 . 742 69 69 LEU N N 123.968 0.11 . 743 70 70 ASP H H 8.889 0.008 . 744 70 70 ASP HA H 5.237 0.008 . 745 70 70 ASP HB2 H 2.717 0.008 . 746 70 70 ASP HB3 H 3.267 0.008 . 747 70 70 ASP CA C 49.989 0.18 . 748 70 70 ASP CB C 42.502 0.18 . 749 70 70 ASP N N 122.630 0.11 . 750 71 71 PRO HA H 4.307 0.008 . 751 71 71 PRO HB2 H 1.832 0.008 . 752 71 71 PRO HB3 H 0.483 0.008 . 753 71 71 PRO HG2 H 0.109 0.008 . 754 71 71 PRO HG3 H 1.105 0.008 . 755 71 71 PRO HD2 H 3.791 0.008 . 756 71 71 PRO HD3 H 2.615 0.008 . 757 71 71 PRO C C 177.095 0.18 . 758 71 71 PRO CA C 62.552 0.18 . 759 71 71 PRO CB C 30.961 0.18 . 760 71 71 PRO CG C 26.927 0.18 . 761 71 71 PRO CD C 50.094 0.18 . 762 72 72 SER H H 8.215 0.008 . 763 72 72 SER HA H 4.455 0.008 . 764 72 72 SER HB2 H 4.156 0.008 . 765 72 72 SER HB3 H 4.116 0.008 . 766 72 72 SER C C 175.162 0.18 . 767 72 72 SER CA C 60.232 0.18 . 768 72 72 SER CB C 63.899 0.18 . 769 72 72 SER N N 114.226 0.11 . 770 73 73 GLU H H 7.976 0.008 . 771 73 73 GLU HA H 4.408 0.008 . 772 73 73 GLU HB2 H 2.202 0.008 . 773 73 73 GLU HB3 H 2.064 0.008 . 774 73 73 GLU HG2 H 2.397 0.008 . 775 73 73 GLU HG3 H 2.338 0.008 . 776 73 73 GLU C C 176.312 0.18 . 777 73 73 GLU CA C 56.613 0.18 . 778 73 73 GLU CB C 30.879 0.18 . 779 73 73 GLU CG C 36.433 0.18 . 780 73 73 GLU N N 121.971 0.11 . 781 74 74 GLY H H 7.855 0.008 . 782 74 74 GLY HA2 H 3.843 0.008 . 783 74 74 GLY HA3 H 3.784 0.008 . 784 74 74 GLY CA C 46.373 0.18 . 785 74 74 GLY N N 115.064 0.11 . stop_ save_