data_15981 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187 ; _BMRB_accession_number 15981 _BMRB_flat_file_name bmr15981.str _Entry_type original _Submission_date 2008-10-07 _Accession_date 2008-10-07 _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 Rumpel Sigrun . . 2 Fares Christophe . . 3 Neculai Dante . . 4 Arrowsmith Cheryl . . 5 Sicheri Frank . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 914 "13C chemical shifts" 700 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2009-02-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18951093 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mao Daniel Y. . 2 Neculai Dante . . 3 Downey Michael . . 4 Orlicky Stephen . . 5 Haffani Yosr . . 6 Ceccarelli Derek F. . 7 Ho Jenny S. . 8 Szilard Rachel K. . 9 Zhang Wei . . 10 Ho Cynthia S. . 11 Wan Leo . . 12 Fares Christophe . . 13 Rumpel Sigrun . . 14 Kurinov Igor . . 15 Durocher Daniel . . 16 Sicheri Frank . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_name_full 'Molecular cell' _Journal_volume 32 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 259 _Page_last 275 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Cgi121 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cgi121 $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 Cgi121 _Molecular_mass 17092.215 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; GAMDPMIIRGIRGARINNEI FNLGLKFQILNADVVATKKH VLHAINQAKTKKPIAKSFWM EILVRASGQRQIHEAIKIIG AKDGNVCLICEDEETFRKIY ELIGGEIDDSVLEINEDKER LIREIFKIRGFGNVVERVLE KIALIELKKE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ASP 5 PRO 6 MET 7 ILE 8 ILE 9 ARG 10 GLY 11 ILE 12 ARG 13 GLY 14 ALA 15 ARG 16 ILE 17 ASN 18 ASN 19 GLU 20 ILE 21 PHE 22 ASN 23 LEU 24 GLY 25 LEU 26 LYS 27 PHE 28 GLN 29 ILE 30 LEU 31 ASN 32 ALA 33 ASP 34 VAL 35 VAL 36 ALA 37 THR 38 LYS 39 LYS 40 HIS 41 VAL 42 LEU 43 HIS 44 ALA 45 ILE 46 ASN 47 GLN 48 ALA 49 LYS 50 THR 51 LYS 52 LYS 53 PRO 54 ILE 55 ALA 56 LYS 57 SER 58 PHE 59 TRP 60 MET 61 GLU 62 ILE 63 LEU 64 VAL 65 ARG 66 ALA 67 SER 68 GLY 69 GLN 70 ARG 71 GLN 72 ILE 73 HIS 74 GLU 75 ALA 76 ILE 77 LYS 78 ILE 79 ILE 80 GLY 81 ALA 82 LYS 83 ASP 84 GLY 85 ASN 86 VAL 87 CYS 88 LEU 89 ILE 90 CYS 91 GLU 92 ASP 93 GLU 94 GLU 95 THR 96 PHE 97 ARG 98 LYS 99 ILE 100 TYR 101 GLU 102 LEU 103 ILE 104 GLY 105 GLY 106 GLU 107 ILE 108 ASP 109 ASP 110 SER 111 VAL 112 LEU 113 GLU 114 ILE 115 ASN 116 GLU 117 ASP 118 LYS 119 GLU 120 ARG 121 LEU 122 ILE 123 ARG 124 GLU 125 ILE 126 PHE 127 LYS 128 ILE 129 ARG 130 GLY 131 PHE 132 GLY 133 ASN 134 VAL 135 VAL 136 GLU 137 ARG 138 VAL 139 LEU 140 GLU 141 LYS 142 ILE 143 ALA 144 LEU 145 ILE 146 GLU 147 LEU 148 LYS 149 LYS 150 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2K8Y "Solution Nmr Structure Of Cgi121 From Methanococcus Jannaschii. Northeast Structural Genomics Consortium Target Mj0187" 100.00 150 100.00 100.00 3.94e-100 PDB 3ENH "Crystal Structure Of Cgi121BUD32KAE1 COMPLEX" 100.00 150 100.00 100.00 3.94e-100 GB AAB98167 "conserved hypothetical protein [Methanocaldococcus jannaschii DSM 2661]" 96.67 145 100.00 100.00 2.51e-95 SP Q57646 "RecName: Full=Regulatory protein Cgi121; AltName: Full=Positive regulator of Bud32 kinase activity" 96.67 145 100.00 100.00 2.51e-95 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 'Methanococcus jannaschii' 243232 Archaea Euryarchaeota Methanococcus jannaschii stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' 'E. coli' Escherichia coli . pGEX 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 $entity 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _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_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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_IPAP_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP HSQC' _Sample_label $sample_1 save_ save_3D_IPAP_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP HNCO' _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' 0.1 . M pH 6.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'Pf1, 10 mg/ml' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0000000 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_ _Software_label $CYANA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C 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 Cgi121 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.191 0.020 1 2 2 2 ALA HB H 1.394 0.020 1 3 2 2 ALA C C 177.900 0.400 1 4 2 2 ALA CA C 53.461 0.400 1 5 2 2 ALA CB C 18.923 0.400 1 6 3 3 MET H H 8.413 0.020 1 7 3 3 MET HA H 4.426 0.020 1 8 3 3 MET HB2 H 1.893 0.020 2 9 3 3 MET HB3 H 2.526 0.020 2 10 3 3 MET C C 175.800 0.400 1 11 3 3 MET CA C 54.941 0.400 1 12 3 3 MET CB C 32.445 0.400 1 13 3 3 MET N N 118.009 0.400 1 14 4 4 ASP H H 8.072 0.020 1 15 4 4 ASP HA H 4.769 0.020 1 16 4 4 ASP HB2 H 2.525 0.020 2 17 4 4 ASP HB3 H 2.695 0.020 2 18 4 4 ASP C C 174.500 0.400 1 19 4 4 ASP CA C 52.915 0.400 1 20 4 4 ASP CB C 40.467 0.400 1 21 4 4 ASP N N 123.099 0.400 1 22 5 5 PRO HA H 4.410 0.020 1 23 5 5 PRO HB2 H 1.923 0.020 2 24 5 5 PRO HB3 H 2.214 0.020 2 25 5 5 PRO HD2 H 3.619 0.020 2 26 5 5 PRO HD3 H 3.776 0.020 2 27 5 5 PRO HG2 H 1.937 0.020 2 28 5 5 PRO HG3 H 2.033 0.020 2 29 5 5 PRO C C 176.300 0.400 1 30 5 5 PRO CA C 63.275 0.400 1 31 5 5 PRO CB C 32.019 0.400 1 32 5 5 PRO CD C 50.500 0.400 1 33 5 5 PRO CG C 27.245 0.400 1 34 6 6 MET H H 7.921 0.020 1 35 6 6 MET HA H 4.521 0.020 1 36 6 6 MET HB2 H 1.947 0.020 2 37 6 6 MET HB3 H 2.053 0.020 2 38 6 6 MET HG2 H 2.372 0.020 2 39 6 6 MET HG3 H 2.585 0.020 2 40 6 6 MET C C 175.200 0.400 1 41 6 6 MET CA C 55.041 0.400 1 42 6 6 MET CB C 33.831 0.400 1 43 6 6 MET CG C 32.624 0.400 1 44 6 6 MET N N 118.411 0.400 1 45 7 7 ILE H H 8.605 0.020 1 46 7 7 ILE HA H 3.824 0.020 1 47 7 7 ILE HB H 1.857 0.020 1 48 7 7 ILE HD1 H 0.483 0.020 1 49 7 7 ILE HG12 H 1.333 0.020 2 50 7 7 ILE HG13 H 1.333 0.020 2 51 7 7 ILE HG2 H 0.427 0.020 1 52 7 7 ILE C C 174.600 0.400 1 53 7 7 ILE CA C 61.926 0.400 1 54 7 7 ILE CB C 37.613 0.400 1 55 7 7 ILE CD1 C 12.801 0.400 1 56 7 7 ILE CG1 C 27.548 0.400 1 57 7 7 ILE CG2 C 17.252 0.400 1 58 7 7 ILE N N 124.818 0.400 1 59 8 8 ILE H H 8.038 0.020 1 60 8 8 ILE HA H 4.758 0.020 1 61 8 8 ILE HB H 1.584 0.020 1 62 8 8 ILE HD1 H 0.685 0.020 1 63 8 8 ILE HG12 H 0.710 0.020 2 64 8 8 ILE HG13 H 0.710 0.020 2 65 8 8 ILE HG2 H 0.517 0.020 1 66 8 8 ILE C C 175.200 0.400 1 67 8 8 ILE CA C 60.405 0.400 1 68 8 8 ILE CB C 41.408 0.400 1 69 8 8 ILE CD1 C 15.084 0.400 1 70 8 8 ILE CG1 C 27.054 0.400 1 71 8 8 ILE CG2 C 18.285 0.400 1 72 8 8 ILE N N 126.894 0.400 1 73 9 9 ARG H H 8.717 0.020 1 74 9 9 ARG HA H 5.074 0.020 1 75 9 9 ARG HB2 H 1.404 0.020 2 76 9 9 ARG HB3 H 1.754 0.020 2 77 9 9 ARG HD2 H 2.284 0.020 2 78 9 9 ARG HD3 H 2.721 0.020 2 79 9 9 ARG HG2 H 1.243 0.020 2 80 9 9 ARG HG3 H 1.408 0.020 2 81 9 9 ARG C C 175.500 0.400 1 82 9 9 ARG CA C 53.678 0.400 1 83 9 9 ARG CB C 34.639 0.400 1 84 9 9 ARG CD C 42.560 0.400 1 85 9 9 ARG CG C 27.504 0.400 1 86 9 9 ARG N N 123.794 0.400 1 87 10 10 GLY H H 9.337 0.020 1 88 10 10 GLY HA2 H 3.377 0.020 2 89 10 10 GLY HA3 H 3.377 0.020 2 90 10 10 GLY C C 172.200 0.400 1 91 10 10 GLY CA C 44.410 0.400 1 92 10 10 GLY N N 110.675 0.400 1 93 11 11 ILE H H 8.910 0.020 1 94 11 11 ILE HA H 4.661 0.020 1 95 11 11 ILE HB H 1.573 0.020 1 96 11 11 ILE HD1 H 0.602 0.020 1 97 11 11 ILE HG12 H 0.879 0.020 2 98 11 11 ILE HG13 H 1.340 0.020 2 99 11 11 ILE HG2 H 0.923 0.020 1 100 11 11 ILE C C 174.100 0.400 1 101 11 11 ILE CA C 60.249 0.400 1 102 11 11 ILE CB C 41.306 0.400 1 103 11 11 ILE CD1 C 14.394 0.400 1 104 11 11 ILE CG1 C 27.895 0.400 1 105 11 11 ILE CG2 C 18.939 0.400 1 106 11 11 ILE N N 123.768 0.400 1 107 12 12 ARG H H 9.449 0.020 1 108 12 12 ARG HA H 5.008 0.020 1 109 12 12 ARG HB2 H 1.641 0.020 2 110 12 12 ARG HB3 H 1.794 0.020 2 111 12 12 ARG HD2 H 3.066 0.020 2 112 12 12 ARG HD3 H 3.311 0.020 2 113 12 12 ARG HG2 H 1.768 0.020 2 114 12 12 ARG HG3 H 1.768 0.020 2 115 12 12 ARG C C 177.100 0.400 1 116 12 12 ARG CA C 54.342 0.400 1 117 12 12 ARG CB C 33.707 0.400 1 118 12 12 ARG CD C 43.011 0.400 1 119 12 12 ARG CG C 26.913 0.400 1 120 12 12 ARG N N 127.661 0.400 1 121 13 13 GLY H H 7.842 0.020 1 122 13 13 GLY HA2 H 3.756 0.020 2 123 13 13 GLY HA3 H 3.935 0.020 2 124 13 13 GLY C C 174.300 0.400 1 125 13 13 GLY CA C 47.121 0.400 1 126 13 13 GLY N N 115.642 0.400 1 127 14 14 ALA H H 8.511 0.020 1 128 14 14 ALA HA H 4.099 0.020 1 129 14 14 ALA HB H 1.141 0.020 1 130 14 14 ALA C C 177.900 0.400 1 131 14 14 ALA CA C 51.571 0.400 1 132 14 14 ALA CB C 21.598 0.400 1 133 14 14 ALA N N 122.251 0.400 1 134 15 15 ARG H H 9.119 0.020 1 135 15 15 ARG HA H 4.514 0.020 1 136 15 15 ARG HB2 H 1.576 0.020 2 137 15 15 ARG HB3 H 1.607 0.020 2 138 15 15 ARG HD2 H 3.085 0.020 2 139 15 15 ARG HD3 H 3.085 0.020 2 140 15 15 ARG HG2 H 1.376 0.020 2 141 15 15 ARG HG3 H 1.376 0.020 2 142 15 15 ARG C C 175.200 0.400 1 143 15 15 ARG CA C 54.827 0.400 1 144 15 15 ARG CB C 31.730 0.400 1 145 15 15 ARG CD C 43.156 0.400 1 146 15 15 ARG CG C 27.150 0.400 1 147 15 15 ARG N N 122.934 0.400 1 148 16 16 ILE H H 8.895 0.020 1 149 16 16 ILE HA H 3.672 0.020 1 150 16 16 ILE HB H 1.938 0.020 1 151 16 16 ILE HD1 H 0.436 0.020 1 152 16 16 ILE HG12 H 0.877 0.020 2 153 16 16 ILE HG13 H 1.239 0.020 2 154 16 16 ILE HG2 H 0.663 0.020 1 155 16 16 ILE C C 174.200 0.400 1 156 16 16 ILE CA C 59.426 0.400 1 157 16 16 ILE CB C 35.798 0.400 1 158 16 16 ILE CD1 C 9.840 0.400 1 159 16 16 ILE CG1 C 26.458 0.400 1 160 16 16 ILE CG2 C 17.088 0.400 1 161 16 16 ILE N N 123.403 0.400 1 162 17 17 ASN H H 7.094 0.020 1 163 17 17 ASN HA H 4.759 0.020 1 164 17 17 ASN HB2 H 2.700 0.020 2 165 17 17 ASN HB3 H 2.700 0.020 2 166 17 17 ASN HD21 H 7.595 0.020 2 167 17 17 ASN HD22 H 6.877 0.020 2 168 17 17 ASN C C 175.500 0.400 1 169 17 17 ASN CA C 51.451 0.400 1 170 17 17 ASN CB C 39.935 0.400 1 171 17 17 ASN CG C 176.411 0.400 1 172 17 17 ASN N N 126.377 0.400 1 173 17 17 ASN ND2 N 112.787 0.400 1 174 18 18 ASN H H 8.985 0.020 1 175 18 18 ASN HA H 4.434 0.020 1 176 18 18 ASN HB2 H 2.870 0.020 2 177 18 18 ASN HB3 H 2.870 0.020 2 178 18 18 ASN HD21 H 7.543 0.020 2 179 18 18 ASN HD22 H 6.838 0.020 2 180 18 18 ASN C C 176.600 0.400 1 181 18 18 ASN CA C 55.841 0.400 1 182 18 18 ASN CB C 38.131 0.400 1 183 18 18 ASN CG C 176.000 0.400 1 184 18 18 ASN N N 122.320 0.400 1 185 18 18 ASN ND2 N 111.293 0.400 1 186 19 19 GLU H H 8.514 0.020 1 187 19 19 GLU HA H 4.047 0.020 1 188 19 19 GLU HB2 H 1.837 0.020 2 189 19 19 GLU HB3 H 1.929 0.020 2 190 19 19 GLU HG2 H 2.196 0.020 2 191 19 19 GLU HG3 H 2.265 0.020 2 192 19 19 GLU C C 179.400 0.400 1 193 19 19 GLU CA C 58.832 0.400 1 194 19 19 GLU CB C 29.104 0.400 1 195 19 19 GLU CG C 35.728 0.400 1 196 19 19 GLU N N 120.442 0.400 1 197 20 20 ILE H H 7.659 0.020 1 198 20 20 ILE HA H 3.679 0.020 1 199 20 20 ILE HB H 1.466 0.020 1 200 20 20 ILE HD1 H 0.292 0.020 1 201 20 20 ILE HG12 H -0.103 0.020 2 202 20 20 ILE HG13 H 0.995 0.020 2 203 20 20 ILE HG2 H 0.696 0.020 1 204 20 20 ILE C C 176.200 0.400 1 205 20 20 ILE CA C 64.369 0.400 1 206 20 20 ILE CB C 36.920 0.400 1 207 20 20 ILE CD1 C 14.532 0.400 1 208 20 20 ILE CG1 C 23.470 0.400 1 209 20 20 ILE CG2 C 17.821 0.400 1 210 20 20 ILE N N 111.733 0.400 1 211 21 21 PHE H H 6.994 0.020 1 212 21 21 PHE HA H 4.602 0.020 1 213 21 21 PHE HB2 H 2.698 0.020 2 214 21 21 PHE HB3 H 3.450 0.020 2 215 21 21 PHE C C 176.100 0.400 1 216 21 21 PHE CA C 58.852 0.400 1 217 21 21 PHE CB C 38.032 0.400 1 218 21 21 PHE N N 116.629 0.400 1 219 22 22 ASN H H 7.823 0.020 1 220 22 22 ASN HA H 5.113 0.020 1 221 22 22 ASN HB2 H 2.641 0.020 2 222 22 22 ASN HB3 H 3.100 0.020 2 223 22 22 ASN HD21 H 7.499 0.020 2 224 22 22 ASN HD22 H 6.784 0.020 2 225 22 22 ASN C C 178.700 0.400 1 226 22 22 ASN CA C 52.702 0.400 1 227 22 22 ASN CB C 39.731 0.400 1 228 22 22 ASN CG C 177.009 0.400 1 229 22 22 ASN N N 118.592 0.400 1 230 22 22 ASN ND2 N 112.722 0.400 1 231 23 23 LEU H H 7.665 0.020 1 232 23 23 LEU HA H 4.366 0.020 1 233 23 23 LEU HB2 H 1.495 0.020 2 234 23 23 LEU HB3 H 1.554 0.020 2 235 23 23 LEU HD1 H 0.644 0.020 2 236 23 23 LEU HD2 H 0.720 0.020 2 237 23 23 LEU HG H 1.695 0.020 1 238 23 23 LEU C C 177.400 0.400 1 239 23 23 LEU CA C 54.941 0.400 1 240 23 23 LEU CB C 44.089 0.400 1 241 23 23 LEU CD1 C 25.857 0.400 1 242 23 23 LEU CD2 C 22.129 0.400 1 243 23 23 LEU CG C 26.117 0.400 1 244 23 23 LEU N N 119.216 0.400 1 245 24 24 GLY H H 8.588 0.020 1 246 24 24 GLY HA2 H 3.766 0.020 2 247 24 24 GLY HA3 H 3.928 0.020 2 248 24 24 GLY C C 174.700 0.400 1 249 24 24 GLY CA C 45.924 0.400 1 250 24 24 GLY N N 109.970 0.400 1 251 25 25 LEU H H 7.560 0.020 1 252 25 25 LEU HA H 4.406 0.020 1 253 25 25 LEU HB2 H 1.314 0.020 2 254 25 25 LEU HB3 H 1.740 0.020 2 255 25 25 LEU HD2 H 0.776 0.020 2 256 25 25 LEU HG H 1.482 0.020 1 257 25 25 LEU C C 176.400 0.400 1 258 25 25 LEU CA C 53.671 0.400 1 259 25 25 LEU CB C 43.085 0.400 1 260 25 25 LEU CD2 C 22.125 0.400 1 261 25 25 LEU CG C 26.018 0.400 1 262 25 25 LEU N N 118.727 0.400 1 263 26 26 LYS H H 8.905 0.020 1 264 26 26 LYS HA H 3.546 0.020 1 265 26 26 LYS HB2 H 1.296 0.020 2 266 26 26 LYS HB3 H 1.690 0.020 2 267 26 26 LYS HD2 H 1.701 0.020 2 268 26 26 LYS HD3 H 1.751 0.020 2 269 26 26 LYS HE2 H 3.049 0.020 2 270 26 26 LYS HE3 H 3.049 0.020 2 271 26 26 LYS HG2 H 1.404 0.020 2 272 26 26 LYS HG3 H 1.404 0.020 2 273 26 26 LYS C C 171.900 0.400 1 274 26 26 LYS CA C 54.849 0.400 1 275 26 26 LYS CB C 31.017 0.400 1 276 26 26 LYS CD C 29.153 0.400 1 277 26 26 LYS CE C 42.438 0.400 1 278 26 26 LYS CG C 24.553 0.400 1 279 26 26 LYS N N 122.373 0.400 1 280 27 27 PHE H H 6.251 0.020 1 281 27 27 PHE HA H 4.357 0.020 1 282 27 27 PHE HB2 H 2.836 0.020 2 283 27 27 PHE HB3 H 2.836 0.020 2 284 27 27 PHE HD1 H 6.410 0.020 1 285 27 27 PHE HD2 H 6.410 0.020 1 286 27 27 PHE HE1 H 6.887 0.020 1 287 27 27 PHE HE2 H 6.887 0.020 1 288 27 27 PHE HZ H 6.828 0.020 1 289 27 27 PHE C C 172.400 0.400 1 290 27 27 PHE CA C 56.223 0.400 1 291 27 27 PHE CB C 40.149 0.400 1 292 27 27 PHE CD1 C 130.923 0.400 1 293 27 27 PHE CD2 C 130.923 0.400 1 294 27 27 PHE CE1 C 130.780 0.400 1 295 27 27 PHE CE2 C 130.780 0.400 1 296 27 27 PHE CG C 138.363 0.400 1 297 27 27 PHE CZ C 128.829 0.400 1 298 27 27 PHE N N 116.811 0.400 1 299 28 28 GLN H H 9.268 0.020 1 300 28 28 GLN HA H 4.299 0.020 1 301 28 28 GLN HB2 H 2.321 0.020 2 302 28 28 GLN HB3 H 2.420 0.020 2 303 28 28 GLN HE21 H 7.605 0.020 2 304 28 28 GLN HE22 H 6.912 0.020 2 305 28 28 GLN HG2 H 2.019 0.020 2 306 28 28 GLN HG3 H 2.019 0.020 2 307 28 28 GLN C C 171.900 0.400 1 308 28 28 GLN CA C 54.125 0.400 1 309 28 28 GLN CB C 33.933 0.400 1 310 28 28 GLN CD C 180.168 0.400 1 311 28 28 GLN N N 115.715 0.400 1 312 28 28 GLN NE2 N 112.089 0.400 1 313 29 29 ILE H H 9.668 0.020 1 314 29 29 ILE HA H 5.575 0.020 1 315 29 29 ILE HB H 1.668 0.020 1 316 29 29 ILE HD1 H 0.680 0.020 1 317 29 29 ILE HG12 H 1.051 0.020 2 318 29 29 ILE HG13 H 1.051 0.020 2 319 29 29 ILE HG2 H 1.002 0.020 1 320 29 29 ILE C C 172.800 0.400 1 321 29 29 ILE CA C 59.154 0.400 1 322 29 29 ILE CB C 42.114 0.400 1 323 29 29 ILE CD1 C 14.460 0.400 1 324 29 29 ILE CG1 C 27.704 0.400 1 325 29 29 ILE CG2 C 17.670 0.400 1 326 29 29 ILE N N 125.533 0.400 1 327 30 30 LEU H H 8.796 0.020 1 328 30 30 LEU HA H 5.155 0.020 1 329 30 30 LEU HB2 H 1.425 0.020 2 330 30 30 LEU HB3 H 1.425 0.020 2 331 30 30 LEU HD1 H 0.463 0.020 2 332 30 30 LEU HD2 H 0.623 0.020 2 333 30 30 LEU HG H 1.476 0.020 1 334 30 30 LEU C C 176.800 0.400 1 335 30 30 LEU CA C 51.674 0.400 1 336 30 30 LEU CB C 45.201 0.400 1 337 30 30 LEU CD1 C 26.010 0.400 1 338 30 30 LEU CD2 C 23.314 0.400 1 339 30 30 LEU CG C 27.128 0.400 1 340 30 30 LEU N N 121.967 0.400 1 341 31 31 ASN H H 8.112 0.020 1 342 31 31 ASN HA H 4.667 0.020 1 343 31 31 ASN HB2 H 2.666 0.020 2 344 31 31 ASN HB3 H 3.058 0.020 2 345 31 31 ASN HD21 H 7.792 0.020 2 346 31 31 ASN HD22 H 7.092 0.020 2 347 31 31 ASN C C 175.900 0.400 1 348 31 31 ASN CA C 52.936 0.400 1 349 31 31 ASN CB C 37.587 0.400 1 350 31 31 ASN CG C 176.100 0.400 1 351 31 31 ASN N N 118.730 0.400 1 352 31 31 ASN ND2 N 108.218 0.400 1 353 32 32 ALA H H 8.406 0.020 1 354 32 32 ALA HA H 3.746 0.020 1 355 32 32 ALA HB H 0.962 0.020 1 356 32 32 ALA C C 178.200 0.400 1 357 32 32 ALA CA C 53.674 0.400 1 358 32 32 ALA CB C 18.552 0.400 1 359 32 32 ALA N N 126.738 0.400 1 360 33 33 ASP H H 8.550 0.020 1 361 33 33 ASP HA H 4.412 0.020 1 362 33 33 ASP HB2 H 2.818 0.020 2 363 33 33 ASP HB3 H 2.818 0.020 2 364 33 33 ASP C C 174.500 0.400 1 365 33 33 ASP CA C 56.745 0.400 1 366 33 33 ASP CB C 39.224 0.400 1 367 33 33 ASP N N 119.024 0.400 1 368 34 34 VAL H H 6.787 0.020 1 369 34 34 VAL HA H 4.396 0.020 1 370 34 34 VAL HB H 2.528 0.020 1 371 34 34 VAL HG1 H 0.943 0.020 2 372 34 34 VAL HG2 H 0.962 0.020 2 373 34 34 VAL C C 172.900 0.400 1 374 34 34 VAL CA C 59.469 0.400 1 375 34 34 VAL CB C 31.998 0.400 1 376 34 34 VAL CG1 C 22.616 0.400 1 377 34 34 VAL CG2 C 19.899 0.400 1 378 34 34 VAL N N 107.763 0.400 1 379 35 35 VAL H H 6.639 0.020 1 380 35 35 VAL HA H 4.223 0.020 1 381 35 35 VAL HB H 1.858 0.020 1 382 35 35 VAL HG1 H 0.617 0.020 2 383 35 35 VAL HG2 H 0.670 0.020 2 384 35 35 VAL C C 176.100 0.400 1 385 35 35 VAL CA C 61.045 0.400 1 386 35 35 VAL CB C 32.340 0.400 1 387 35 35 VAL CG1 C 23.418 0.400 1 388 35 35 VAL CG2 C 23.655 0.400 1 389 35 35 VAL N N 116.157 0.400 1 390 36 36 ALA HA H 4.487 0.020 1 391 36 36 ALA HB H 1.159 0.020 1 392 36 36 ALA C C 177.100 0.400 1 393 36 36 ALA CA C 49.527 0.400 1 394 36 36 ALA CB C 16.971 0.400 1 395 37 37 THR H H 7.707 0.020 1 396 37 37 THR HA H 4.440 0.020 1 397 37 37 THR HB H 4.561 0.020 1 398 37 37 THR HG2 H 1.197 0.020 1 399 37 37 THR C C 174.200 0.400 1 400 37 37 THR CA C 64.025 0.400 1 401 37 37 THR CB C 72.619 0.400 1 402 37 37 THR CG2 C 23.052 0.400 1 403 37 37 THR N N 112.097 0.400 1 404 38 38 LYS H H 9.133 0.020 1 405 38 38 LYS HA H 3.575 0.020 1 406 38 38 LYS HB2 H 1.789 0.020 2 407 38 38 LYS HB3 H 1.789 0.020 2 408 38 38 LYS HD2 H 1.648 0.020 2 409 38 38 LYS HD3 H 1.648 0.020 2 410 38 38 LYS HE2 H 2.733 0.020 2 411 38 38 LYS HE3 H 2.820 0.020 2 412 38 38 LYS HG2 H 1.273 0.020 2 413 38 38 LYS HG3 H 1.314 0.020 2 414 38 38 LYS C C 177.300 0.400 1 415 38 38 LYS CA C 60.207 0.400 1 416 38 38 LYS CB C 32.470 0.400 1 417 38 38 LYS CD C 29.609 0.400 1 418 38 38 LYS CE C 41.788 0.400 1 419 38 38 LYS CG C 27.075 0.400 1 420 38 38 LYS N N 117.454 0.400 1 421 39 39 LYS H H 7.966 0.020 1 422 39 39 LYS HA H 3.839 0.020 1 423 39 39 LYS HB2 H 1.521 0.020 2 424 39 39 LYS HB3 H 1.690 0.020 2 425 39 39 LYS HD2 H 1.524 0.020 2 426 39 39 LYS HD3 H 1.524 0.020 2 427 39 39 LYS HE2 H 2.841 0.020 2 428 39 39 LYS HE3 H 2.841 0.020 2 429 39 39 LYS HG2 H 1.303 0.020 2 430 39 39 LYS HG3 H 1.491 0.020 2 431 39 39 LYS C C 178.300 0.400 1 432 39 39 LYS CA C 60.053 0.400 1 433 39 39 LYS CB C 33.210 0.400 1 434 39 39 LYS CD C 29.341 0.400 1 435 39 39 LYS CE C 41.792 0.400 1 436 39 39 LYS CG C 25.625 0.400 1 437 39 39 LYS N N 117.677 0.400 1 438 40 40 HIS H H 7.154 0.020 1 439 40 40 HIS HA H 4.183 0.020 1 440 40 40 HIS HB2 H 3.123 0.020 2 441 40 40 HIS HB3 H 3.496 0.020 2 442 40 40 HIS HD2 H 6.698 0.020 1 443 40 40 HIS HE1 H 7.513 0.020 1 444 40 40 HIS C C 176.700 0.400 1 445 40 40 HIS CA C 57.343 0.400 1 446 40 40 HIS CB C 33.433 0.400 1 447 40 40 HIS CD2 C 112.998 0.400 1 448 40 40 HIS CE1 C 136.970 0.400 1 449 40 40 HIS N N 118.450 0.400 1 450 41 41 VAL H H 6.579 0.020 1 451 41 41 VAL HA H 3.183 0.020 1 452 41 41 VAL HB H 1.998 0.020 1 453 41 41 VAL HG1 H 0.807 0.020 2 454 41 41 VAL HG2 H 0.795 0.020 2 455 41 41 VAL C C 176.700 0.400 1 456 41 41 VAL CA C 66.276 0.400 1 457 41 41 VAL CB C 31.791 0.400 1 458 41 41 VAL CG1 C 22.440 0.400 1 459 41 41 VAL CG2 C 23.102 0.400 1 460 41 41 VAL N N 116.632 0.400 1 461 42 42 LEU H H 8.604 0.020 1 462 42 42 LEU HA H 3.858 0.020 1 463 42 42 LEU HB2 H 1.461 0.020 2 464 42 42 LEU HB3 H 1.731 0.020 2 465 42 42 LEU HD1 H 0.794 0.020 2 466 42 42 LEU HD2 H 0.785 0.020 2 467 42 42 LEU HG H 1.522 0.020 1 468 42 42 LEU C C 179.300 0.400 1 469 42 42 LEU CA C 58.224 0.400 1 470 42 42 LEU CB C 41.425 0.400 1 471 42 42 LEU CD1 C 25.265 0.400 1 472 42 42 LEU CD2 C 23.155 0.400 1 473 42 42 LEU CG C 27.315 0.400 1 474 42 42 LEU N N 119.270 0.400 1 475 43 43 HIS H H 8.197 0.020 1 476 43 43 HIS HA H 4.286 0.020 1 477 43 43 HIS HB2 H 3.109 0.020 2 478 43 43 HIS HB3 H 3.139 0.020 2 479 43 43 HIS HD2 H 6.718 0.020 1 480 43 43 HIS HE1 H 7.902 0.020 1 481 43 43 HIS C C 177.200 0.400 1 482 43 43 HIS CA C 60.029 0.400 1 483 43 43 HIS CB C 31.172 0.400 1 484 43 43 HIS CD2 C 118.574 0.400 1 485 43 43 HIS CE1 C 135.261 0.400 1 486 43 43 HIS N N 119.443 0.400 1 487 44 44 ALA H H 7.731 0.020 1 488 44 44 ALA HA H 3.726 0.020 1 489 44 44 ALA HB H 1.460 0.020 1 490 44 44 ALA C C 178.900 0.400 1 491 44 44 ALA CA C 55.672 0.400 1 492 44 44 ALA CB C 17.723 0.400 1 493 44 44 ALA N N 121.004 0.400 1 494 45 45 ILE H H 8.305 0.020 1 495 45 45 ILE HA H 3.288 0.020 1 496 45 45 ILE HB H 1.745 0.020 1 497 45 45 ILE HD1 H 0.804 0.020 1 498 45 45 ILE HG12 H 1.774 0.020 2 499 45 45 ILE HG13 H 1.774 0.020 2 500 45 45 ILE HG2 H 0.874 0.020 1 501 45 45 ILE C C 176.800 0.400 1 502 45 45 ILE CA C 65.820 0.400 1 503 45 45 ILE CB C 38.583 0.400 1 504 45 45 ILE CD1 C 16.000 0.400 1 505 45 45 ILE CG1 C 29.654 0.400 1 506 45 45 ILE CG2 C 17.509 0.400 1 507 45 45 ILE N N 116.643 0.400 1 508 46 46 ASN H H 8.149 0.020 1 509 46 46 ASN HA H 4.374 0.020 1 510 46 46 ASN HB2 H 2.710 0.020 2 511 46 46 ASN HB3 H 2.710 0.020 2 512 46 46 ASN HD21 H 7.558 0.020 2 513 46 46 ASN HD22 H 6.840 0.020 2 514 46 46 ASN C C 179.600 0.400 1 515 46 46 ASN CA C 57.030 0.400 1 516 46 46 ASN CB C 38.677 0.400 1 517 46 46 ASN CG C 176.000 0.400 1 518 46 46 ASN N N 117.372 0.400 1 519 46 46 ASN ND2 N 112.822 0.400 1 520 47 47 GLN H H 8.421 0.020 1 521 47 47 GLN HA H 3.740 0.020 1 522 47 47 GLN HB2 H 1.835 0.020 2 523 47 47 GLN HB3 H 1.835 0.020 2 524 47 47 GLN HE21 H 7.242 0.020 2 525 47 47 GLN HE22 H 6.907 0.020 2 526 47 47 GLN HG2 H 1.861 0.020 2 527 47 47 GLN HG3 H 2.012 0.020 2 528 47 47 GLN C C 176.700 0.400 1 529 47 47 GLN CA C 58.129 0.400 1 530 47 47 GLN CB C 29.150 0.400 1 531 47 47 GLN CD C 179.207 0.400 1 532 47 47 GLN CG C 33.713 0.400 1 533 47 47 GLN N N 118.737 0.400 1 534 47 47 GLN NE2 N 114.567 0.400 1 535 48 48 ALA H H 7.994 0.020 1 536 48 48 ALA HA H 3.980 0.020 1 537 48 48 ALA HB H 1.119 0.020 1 538 48 48 ALA C C 178.700 0.400 1 539 48 48 ALA CA C 54.383 0.400 1 540 48 48 ALA CB C 18.790 0.400 1 541 48 48 ALA N N 119.924 0.400 1 542 49 49 LYS H H 7.850 0.020 1 543 49 49 LYS HA H 4.175 0.020 1 544 49 49 LYS HB2 H 1.925 0.020 2 545 49 49 LYS HB3 H 1.925 0.020 2 546 49 49 LYS HD2 H 1.438 0.020 2 547 49 49 LYS HD3 H 1.504 0.020 2 548 49 49 LYS HE2 H 2.558 0.020 2 549 49 49 LYS HE3 H 2.641 0.020 2 550 49 49 LYS HG2 H 1.259 0.020 2 551 49 49 LYS HG3 H 1.654 0.020 2 552 49 49 LYS C C 177.900 0.400 1 553 49 49 LYS CA C 58.141 0.400 1 554 49 49 LYS CB C 33.825 0.400 1 555 49 49 LYS CD C 29.367 0.400 1 556 49 49 LYS CE C 41.650 0.400 1 557 49 49 LYS CG C 25.950 0.400 1 558 49 49 LYS N N 114.582 0.400 1 559 50 50 THR H H 7.318 0.020 1 560 50 50 THR HA H 4.424 0.020 1 561 50 50 THR HB H 4.138 0.020 1 562 50 50 THR HG2 H 1.105 0.020 1 563 50 50 THR C C 174.500 0.400 1 564 50 50 THR CA C 62.165 0.400 1 565 50 50 THR CB C 71.212 0.400 1 566 50 50 THR CG2 C 21.112 0.400 1 567 50 50 THR N N 107.271 0.400 1 568 51 51 LYS H H 7.704 0.020 1 569 51 51 LYS HA H 4.530 0.020 1 570 51 51 LYS HB2 H 1.683 0.020 2 571 51 51 LYS HB3 H 1.782 0.020 2 572 51 51 LYS HD2 H 1.604 0.020 2 573 51 51 LYS HD3 H 1.604 0.020 2 574 51 51 LYS HE2 H 2.892 0.020 2 575 51 51 LYS HE3 H 2.892 0.020 2 576 51 51 LYS HG2 H 1.377 0.020 2 577 51 51 LYS HG3 H 1.428 0.020 2 578 51 51 LYS C C 176.100 0.400 1 579 51 51 LYS CA C 53.684 0.400 1 580 51 51 LYS CB C 33.091 0.400 1 581 51 51 LYS CD C 29.376 0.400 1 582 51 51 LYS CE C 42.557 0.400 1 583 51 51 LYS CG C 24.635 0.400 1 584 51 51 LYS N N 122.078 0.400 1 585 52 52 LYS H H 8.464 0.020 1 586 52 52 LYS HA H 4.331 0.020 1 587 52 52 LYS HB2 H 1.650 0.020 2 588 52 52 LYS HB3 H 1.650 0.020 2 589 52 52 LYS HD2 H 1.650 0.020 2 590 52 52 LYS HD3 H 1.650 0.020 2 591 52 52 LYS HE2 H 2.945 0.020 2 592 52 52 LYS HE3 H 2.945 0.020 2 593 52 52 LYS HG2 H 1.366 0.020 2 594 52 52 LYS HG3 H 1.436 0.020 2 595 52 52 LYS C C 174.800 0.400 1 596 52 52 LYS CA C 54.526 0.400 1 597 52 52 LYS CB C 31.831 0.400 1 598 52 52 LYS CD C 29.190 0.400 1 599 52 52 LYS CE C 42.189 0.400 1 600 52 52 LYS CG C 24.593 0.400 1 601 52 52 LYS N N 123.579 0.400 1 602 53 53 PRO HA H 4.253 0.020 1 603 53 53 PRO HB2 H 1.936 0.020 2 604 53 53 PRO HB3 H 2.169 0.020 2 605 53 53 PRO HD2 H 3.519 0.020 2 606 53 53 PRO HD3 H 3.744 0.020 2 607 53 53 PRO HG2 H 2.027 0.020 2 608 53 53 PRO HG3 H 2.027 0.020 2 609 53 53 PRO C C 177.600 0.400 1 610 53 53 PRO CA C 63.539 0.400 1 611 53 53 PRO CB C 32.641 0.400 1 612 53 53 PRO CD C 50.884 0.400 1 613 53 53 PRO CG C 27.164 0.400 1 614 54 54 ILE H H 10.078 0.020 1 615 54 54 ILE HA H 3.864 0.020 1 616 54 54 ILE HB H 1.859 0.020 1 617 54 54 ILE HD1 H 0.675 0.020 1 618 54 54 ILE HG12 H 1.643 0.020 2 619 54 54 ILE HG13 H 1.643 0.020 2 620 54 54 ILE HG2 H 0.886 0.020 1 621 54 54 ILE C C 177.100 0.400 1 622 54 54 ILE CA C 63.228 0.400 1 623 54 54 ILE CB C 40.039 0.400 1 624 54 54 ILE CD1 C 14.251 0.400 1 625 54 54 ILE CG1 C 28.980 0.400 1 626 54 54 ILE CG2 C 17.531 0.400 1 627 54 54 ILE N N 126.368 0.400 1 628 55 55 ALA H H 10.048 0.020 1 629 55 55 ALA HA H 4.505 0.020 1 630 55 55 ALA HB H 1.403 0.020 1 631 55 55 ALA C C 177.500 0.400 1 632 55 55 ALA CA C 50.443 0.400 1 633 55 55 ALA CB C 20.571 0.400 1 634 55 55 ALA N N 126.077 0.400 1 635 56 56 LYS H H 8.507 0.020 1 636 56 56 LYS HA H 4.177 0.020 1 637 56 56 LYS HB2 H 1.817 0.020 2 638 56 56 LYS HB3 H 1.958 0.020 2 639 56 56 LYS HD2 H 1.651 0.020 2 640 56 56 LYS HD3 H 1.651 0.020 2 641 56 56 LYS HE2 H 2.972 0.020 2 642 56 56 LYS HE3 H 2.972 0.020 2 643 56 56 LYS HG2 H 1.411 0.020 2 644 56 56 LYS HG3 H 1.493 0.020 2 645 56 56 LYS C C 176.300 0.400 1 646 56 56 LYS CA C 57.141 0.400 1 647 56 56 LYS CB C 32.660 0.400 1 648 56 56 LYS CD C 28.877 0.400 1 649 56 56 LYS CE C 42.236 0.400 1 650 56 56 LYS CG C 25.117 0.400 1 651 56 56 LYS N N 116.060 0.400 1 652 57 57 SER H H 7.342 0.020 1 653 57 57 SER HA H 4.762 0.020 1 654 57 57 SER HB2 H 3.885 0.020 2 655 57 57 SER HB3 H 4.225 0.020 2 656 57 57 SER C C 174.300 0.400 1 657 57 57 SER CA C 56.074 0.400 1 658 57 57 SER CB C 66.538 0.400 1 659 57 57 SER N N 110.913 0.400 1 660 58 58 PHE HA H 4.171 0.020 1 661 58 58 PHE HB2 H 2.020 0.020 2 662 58 58 PHE HB3 H 3.136 0.020 2 663 58 58 PHE HD1 H 7.243 0.020 1 664 58 58 PHE HD2 H 7.243 0.020 1 665 58 58 PHE HE1 H 6.270 0.020 1 666 58 58 PHE HE2 H 5.860 0.020 1 667 58 58 PHE HZ H 6.554 0.020 1 668 58 58 PHE C C 174.700 0.400 1 669 58 58 PHE CA C 59.966 0.400 1 670 58 58 PHE CB C 39.924 0.400 1 671 58 58 PHE CD1 C 131.802 0.400 1 672 58 58 PHE CD2 C 131.914 0.400 1 673 58 58 PHE CE1 C 130.647 0.400 1 674 58 58 PHE CE2 C 131.821 0.400 1 675 58 58 PHE CG C 137.288 0.400 1 676 58 58 PHE CZ C 128.040 0.400 1 677 59 59 TRP H H 6.603 0.020 1 678 59 59 TRP HA H 3.641 0.020 1 679 59 59 TRP HB2 H 2.822 0.020 2 680 59 59 TRP HB3 H 3.353 0.020 2 681 59 59 TRP HD1 H 7.471 0.020 1 682 59 59 TRP HE1 H 10.462 0.020 1 683 59 59 TRP HH2 H 7.053 0.020 1 684 59 59 TRP HZ2 H 7.564 0.020 1 685 59 59 TRP HZ3 H 6.710 0.020 1 686 59 59 TRP C C 180.100 0.400 1 687 59 59 TRP CA C 58.490 0.400 1 688 59 59 TRP CB C 28.444 0.400 1 689 59 59 TRP CD1 C 126.802 0.400 1 690 59 59 TRP CH2 C 124.373 0.400 1 691 59 59 TRP CZ2 C 115.229 0.400 1 692 59 59 TRP CZ3 C 120.824 0.400 1 693 59 59 TRP N N 116.508 0.400 1 694 59 59 TRP NE1 N 129.102 0.400 1 695 60 60 MET H H 7.478 0.020 1 696 60 60 MET HA H 4.398 0.020 1 697 60 60 MET HB2 H 2.035 0.020 2 698 60 60 MET HB3 H 2.035 0.020 2 699 60 60 MET C C 177.400 0.400 1 700 60 60 MET CA C 56.375 0.400 1 701 60 60 MET CB C 31.561 0.400 1 702 60 60 MET N N 118.747 0.400 1 703 61 61 GLU H H 8.485 0.020 1 704 61 61 GLU HA H 3.767 0.020 1 705 61 61 GLU HB2 H 2.349 0.020 2 706 61 61 GLU HB3 H 2.349 0.020 2 707 61 61 GLU HG2 H 1.893 0.020 2 708 61 61 GLU HG3 H 1.893 0.020 2 709 61 61 GLU C C 178.800 0.400 1 710 61 61 GLU CA C 58.672 0.400 1 711 61 61 GLU CB C 29.313 0.400 1 712 61 61 GLU CG C 35.388 0.400 1 713 61 61 GLU N N 124.803 0.400 1 714 62 62 ILE H H 7.298 0.020 1 715 62 62 ILE HA H 2.979 0.020 1 716 62 62 ILE HB H 1.444 0.020 1 717 62 62 ILE HD1 H 0.237 0.020 1 718 62 62 ILE HG12 H 0.095 0.020 2 719 62 62 ILE HG13 H 0.983 0.020 2 720 62 62 ILE HG2 H 0.491 0.020 1 721 62 62 ILE C C 176.600 0.400 1 722 62 62 ILE CA C 66.066 0.400 1 723 62 62 ILE CB C 38.667 0.400 1 724 62 62 ILE CD1 C 14.621 0.400 1 725 62 62 ILE CG1 C 28.120 0.400 1 726 62 62 ILE CG2 C 16.478 0.400 1 727 62 62 ILE N N 115.342 0.400 1 728 63 63 LEU H H 6.608 0.020 1 729 63 63 LEU HA H 3.622 0.020 1 730 63 63 LEU HB2 H 1.653 0.020 2 731 63 63 LEU HB3 H 1.598 0.020 2 732 63 63 LEU HD1 H 0.673 0.020 2 733 63 63 LEU HD2 H 0.537 0.020 2 734 63 63 LEU HG H 1.391 0.020 1 735 63 63 LEU C C 178.800 0.400 1 736 63 63 LEU CA C 58.617 0.400 1 737 63 63 LEU CB C 42.507 0.400 1 738 63 63 LEU CD1 C 26.291 0.400 1 739 63 63 LEU CD2 C 24.852 0.400 1 740 63 63 LEU CG C 27.050 0.400 1 741 63 63 LEU N N 117.593 0.400 1 742 64 64 VAL HA H 3.478 0.020 1 743 64 64 VAL HB H 2.033 0.020 1 744 64 64 VAL HG1 H 0.813 0.020 2 745 64 64 VAL HG2 H 0.758 0.020 2 746 64 64 VAL C C 178.900 0.400 1 747 64 64 VAL CA C 66.340 0.400 1 748 64 64 VAL CB C 32.441 0.400 1 749 64 64 VAL CG1 C 22.572 0.400 1 750 64 64 VAL CG2 C 21.088 0.400 1 751 65 65 ARG H H 8.696 0.020 1 752 65 65 ARG HA H 4.051 0.020 1 753 65 65 ARG HB2 H 1.974 0.020 2 754 65 65 ARG HB3 H 2.045 0.020 2 755 65 65 ARG HD2 H 2.973 0.020 2 756 65 65 ARG HD3 H 2.973 0.020 2 757 65 65 ARG HG2 H 1.458 0.020 2 758 65 65 ARG HG3 H 1.458 0.020 2 759 65 65 ARG C C 178.400 0.400 1 760 65 65 ARG CA C 56.745 0.400 1 761 65 65 ARG CB C 29.622 0.400 1 762 65 65 ARG CD C 41.736 0.400 1 763 65 65 ARG CG C 27.289 0.400 1 764 65 65 ARG N N 115.383 0.400 1 765 66 66 ALA H H 8.465 0.020 1 766 66 66 ALA HA H 4.131 0.020 1 767 66 66 ALA HB H 1.232 0.020 1 768 66 66 ALA C C 177.500 0.400 1 769 66 66 ALA CA C 54.362 0.400 1 770 66 66 ALA CB C 17.850 0.400 1 771 66 66 ALA N N 117.106 0.400 1 772 67 67 SER H H 7.708 0.020 1 773 67 67 SER HA H 4.424 0.020 1 774 67 67 SER HB2 H 3.922 0.020 2 775 67 67 SER HB3 H 4.041 0.020 2 776 67 67 SER C C 174.600 0.400 1 777 67 67 SER CA C 59.865 0.400 1 778 67 67 SER CB C 65.715 0.400 1 779 67 67 SER N N 109.130 0.400 1 780 68 68 GLY H H 7.844 0.020 1 781 68 68 GLY HA2 H 3.722 0.020 2 782 68 68 GLY HA3 H 4.076 0.020 2 783 68 68 GLY C C 171.800 0.400 1 784 68 68 GLY CA C 46.756 0.400 1 785 68 68 GLY N N 108.317 0.400 1 786 69 69 GLN H H 7.942 0.020 1 787 69 69 GLN HA H 4.432 0.020 1 788 69 69 GLN HB2 H 1.622 0.020 2 789 69 69 GLN HB3 H 1.622 0.020 2 790 69 69 GLN C C 172.700 0.400 1 791 69 69 GLN CA C 54.288 0.400 1 792 69 69 GLN CB C 29.078 0.400 1 793 69 69 GLN N N 117.556 0.400 1 794 70 70 ARG H H 7.916 0.020 1 795 70 70 ARG HA H 3.933 0.020 1 796 70 70 ARG HB2 H 1.657 0.020 2 797 70 70 ARG HB3 H 1.707 0.020 2 798 70 70 ARG HD2 H 3.129 0.020 2 799 70 70 ARG HD3 H 3.215 0.020 2 800 70 70 ARG HG2 H 1.436 0.020 2 801 70 70 ARG HG3 H 1.548 0.020 2 802 70 70 ARG C C 176.100 0.400 1 803 70 70 ARG CA C 57.808 0.400 1 804 70 70 ARG CB C 31.767 0.400 1 805 70 70 ARG CD C 43.223 0.400 1 806 70 70 ARG CG C 28.853 0.400 1 807 70 70 ARG N N 115.443 0.400 1 808 71 71 GLN H H 7.886 0.020 1 809 71 71 GLN HA H 4.397 0.020 1 810 71 71 GLN HB2 H 1.971 0.020 2 811 71 71 GLN HB3 H 2.044 0.020 2 812 71 71 GLN HG2 H 2.314 0.020 2 813 71 71 GLN HG3 H 2.411 0.020 2 814 71 71 GLN C C 177.800 0.400 1 815 71 71 GLN CA C 54.851 0.400 1 816 71 71 GLN CB C 29.390 0.400 1 817 71 71 GLN CG C 33.899 0.400 1 818 71 71 GLN N N 115.072 0.400 1 819 72 72 ILE H H 8.740 0.020 1 820 72 72 ILE HA H 3.489 0.020 1 821 72 72 ILE HB H 1.819 0.020 1 822 72 72 ILE HD1 H 0.809 0.020 1 823 72 72 ILE HG12 H 1.227 0.020 2 824 72 72 ILE HG13 H 1.227 0.020 2 825 72 72 ILE HG2 H 0.790 0.020 1 826 72 72 ILE C C 176.800 0.400 1 827 72 72 ILE CA C 64.368 0.400 1 828 72 72 ILE CB C 37.191 0.400 1 829 72 72 ILE CD1 C 12.831 0.400 1 830 72 72 ILE CG1 C 28.912 0.400 1 831 72 72 ILE CG2 C 17.641 0.400 1 832 72 72 ILE N N 127.554 0.400 1 833 73 73 HIS H H 8.674 0.020 1 834 73 73 HIS HA H 4.154 0.020 1 835 73 73 HIS HB2 H 3.077 0.020 2 836 73 73 HIS HB3 H 3.163 0.020 2 837 73 73 HIS HD2 H 7.086 0.020 1 838 73 73 HIS HE1 H 7.688 0.020 1 839 73 73 HIS C C 178.200 0.400 1 840 73 73 HIS CA C 59.532 0.400 1 841 73 73 HIS CB C 28.538 0.400 1 842 73 73 HIS CD2 C 119.452 0.400 1 843 73 73 HIS CE1 C 137.732 0.400 1 844 73 73 HIS N N 116.802 0.400 1 845 74 74 GLU H H 6.675 0.020 1 846 74 74 GLU HA H 4.005 0.020 1 847 74 74 GLU HB2 H 1.900 0.020 2 848 74 74 GLU HB3 H 1.923 0.020 2 849 74 74 GLU HG2 H 1.968 0.020 2 850 74 74 GLU HG3 H 2.163 0.020 2 851 74 74 GLU C C 177.900 0.400 1 852 74 74 GLU CA C 57.660 0.400 1 853 74 74 GLU CB C 29.063 0.400 1 854 74 74 GLU CG C 35.027 0.400 1 855 74 74 GLU N N 118.389 0.400 1 856 75 75 ALA H H 7.955 0.020 1 857 75 75 ALA HA H 3.777 0.020 1 858 75 75 ALA HB H 1.307 0.020 1 859 75 75 ALA C C 179.300 0.400 1 860 75 75 ALA CA C 55.480 0.400 1 861 75 75 ALA CB C 19.192 0.400 1 862 75 75 ALA N N 122.496 0.400 1 863 76 76 ILE H H 7.992 0.020 1 864 76 76 ILE HA H 3.180 0.020 1 865 76 76 ILE HB H 1.651 0.020 1 866 76 76 ILE HD1 H 0.561 0.020 1 867 76 76 ILE HG12 H 0.599 0.020 2 868 76 76 ILE HG13 H 0.599 0.020 2 869 76 76 ILE HG2 H 0.711 0.020 1 870 76 76 ILE C C 178.600 0.400 1 871 76 76 ILE CA C 65.021 0.400 1 872 76 76 ILE CB C 38.264 0.400 1 873 76 76 ILE CD1 C 13.397 0.400 1 874 76 76 ILE CG1 C 30.167 0.400 1 875 76 76 ILE CG2 C 16.999 0.400 1 876 76 76 ILE N N 116.830 0.400 1 877 77 77 LYS H H 7.149 0.020 1 878 77 77 LYS HA H 3.860 0.020 1 879 77 77 LYS HB2 H 1.775 0.020 2 880 77 77 LYS HB3 H 1.775 0.020 2 881 77 77 LYS HD2 H 1.597 0.020 2 882 77 77 LYS HD3 H 1.597 0.020 2 883 77 77 LYS HE2 H 2.820 0.020 2 884 77 77 LYS HE3 H 2.820 0.020 2 885 77 77 LYS HG2 H 1.267 0.020 2 886 77 77 LYS HG3 H 1.428 0.020 2 887 77 77 LYS C C 177.800 0.400 1 888 77 77 LYS CA C 60.020 0.400 1 889 77 77 LYS CB C 32.336 0.400 1 890 77 77 LYS CD C 29.352 0.400 1 891 77 77 LYS CE C 41.781 0.400 1 892 77 77 LYS CG C 24.774 0.400 1 893 77 77 LYS N N 120.856 0.400 1 894 78 78 ILE H H 7.555 0.020 1 895 78 78 ILE HA H 3.703 0.020 1 896 78 78 ILE HB H 1.669 0.020 1 897 78 78 ILE HD1 H 0.660 0.020 1 898 78 78 ILE HG12 H 1.051 0.020 2 899 78 78 ILE HG13 H 1.514 0.020 2 900 78 78 ILE HG2 H 0.549 0.020 1 901 78 78 ILE C C 176.300 0.400 1 902 78 78 ILE CA C 63.615 0.400 1 903 78 78 ILE CB C 38.760 0.400 1 904 78 78 ILE CD1 C 13.092 0.400 1 905 78 78 ILE CG1 C 28.645 0.400 1 906 78 78 ILE CG2 C 16.698 0.400 1 907 78 78 ILE N N 116.378 0.400 1 908 79 79 ILE H H 8.117 0.020 1 909 79 79 ILE HA H 4.744 0.020 1 910 79 79 ILE HB H 1.266 0.020 1 911 79 79 ILE HD1 H 0.723 0.020 1 912 79 79 ILE HG12 H 1.489 0.020 2 913 79 79 ILE HG13 H 1.816 0.020 2 914 79 79 ILE HG2 H 0.866 0.020 1 915 79 79 ILE C C 175.200 0.400 1 916 79 79 ILE CA C 60.204 0.400 1 917 79 79 ILE CB C 45.181 0.400 1 918 79 79 ILE CD1 C 15.985 0.400 1 919 79 79 ILE CG1 C 31.958 0.400 1 920 79 79 ILE CG2 C 16.150 0.400 1 921 79 79 ILE N N 115.277 0.400 1 922 80 80 GLY H H 8.190 0.020 1 923 80 80 GLY HA2 H 3.811 0.020 2 924 80 80 GLY HA3 H 4.010 0.020 2 925 80 80 GLY C C 173.400 0.400 1 926 80 80 GLY CA C 45.167 0.400 1 927 80 80 GLY N N 112.353 0.400 1 928 81 81 ALA H H 8.759 0.020 1 929 81 81 ALA HA H 3.685 0.020 1 930 81 81 ALA HB H 1.217 0.020 1 931 81 81 ALA C C 176.200 0.400 1 932 81 81 ALA CA C 53.774 0.400 1 933 81 81 ALA CB C 21.107 0.400 1 934 81 81 ALA N N 123.026 0.400 1 935 82 82 LYS H H 7.102 0.020 1 936 82 82 LYS HA H 4.422 0.020 1 937 82 82 LYS HB2 H 1.650 0.020 2 938 82 82 LYS HB3 H 1.908 0.020 2 939 82 82 LYS HD2 H 1.606 0.020 2 940 82 82 LYS HD3 H 1.647 0.020 2 941 82 82 LYS HE2 H 2.977 0.020 2 942 82 82 LYS HE3 H 2.977 0.020 2 943 82 82 LYS HG2 H 1.322 0.020 2 944 82 82 LYS HG3 H 1.322 0.020 2 945 82 82 LYS C C 174.600 0.400 1 946 82 82 LYS CA C 54.375 0.400 1 947 82 82 LYS CB C 35.639 0.400 1 948 82 82 LYS CD C 29.145 0.400 1 949 82 82 LYS CE C 42.219 0.400 1 950 82 82 LYS CG C 23.769 0.400 1 951 82 82 LYS N N 118.253 0.400 1 952 83 83 ASP H H 8.139 0.020 1 953 83 83 ASP HA H 4.162 0.020 1 954 83 83 ASP HB2 H 2.525 0.020 2 955 83 83 ASP HB3 H 2.637 0.020 2 956 83 83 ASP C C 175.900 0.400 1 957 83 83 ASP CA C 56.331 0.400 1 958 83 83 ASP CB C 40.567 0.400 1 959 83 83 ASP N N 120.108 0.400 1 960 84 84 GLY H H 8.436 0.020 1 961 84 84 GLY HA2 H 3.525 0.020 2 962 84 84 GLY HA3 H 4.478 0.020 2 963 84 84 GLY C C 172.500 0.400 1 964 84 84 GLY CA C 45.063 0.400 1 965 84 84 GLY N N 110.334 0.400 1 966 85 85 ASN H H 9.132 0.020 1 967 85 85 ASN HA H 5.715 0.020 1 968 85 85 ASN HB2 H 2.253 0.020 2 969 85 85 ASN HB3 H 2.967 0.020 2 970 85 85 ASN HD21 H 8.613 0.020 2 971 85 85 ASN HD22 H 6.805 0.020 2 972 85 85 ASN C C 176.500 0.400 1 973 85 85 ASN CA C 52.189 0.400 1 974 85 85 ASN CB C 38.327 0.400 1 975 85 85 ASN CG C 175.544 0.400 1 976 85 85 ASN N N 124.929 0.400 1 977 85 85 ASN ND2 N 115.469 0.400 1 978 86 86 VAL H H 9.641 0.020 1 979 86 86 VAL HA H 5.445 0.020 1 980 86 86 VAL HB H 2.071 0.020 1 981 86 86 VAL HG1 H 0.832 0.020 2 982 86 86 VAL HG2 H 0.692 0.020 2 983 86 86 VAL C C 173.400 0.400 1 984 86 86 VAL CA C 58.971 0.400 1 985 86 86 VAL CB C 36.331 0.400 1 986 86 86 VAL CG1 C 21.917 0.400 1 987 86 86 VAL CG2 C 19.833 0.400 1 988 86 86 VAL N N 118.585 0.400 1 989 87 87 CYS H H 9.011 0.020 1 990 87 87 CYS HA H 5.057 0.020 1 991 87 87 CYS HB2 H 2.152 0.020 2 992 87 87 CYS HB3 H 2.526 0.020 2 993 87 87 CYS C C 172.300 0.400 1 994 87 87 CYS CA C 56.535 0.400 1 995 87 87 CYS CB C 28.877 0.400 1 996 87 87 CYS N N 121.672 0.400 1 997 88 88 LEU H H 9.378 0.020 1 998 88 88 LEU HA H 4.960 0.020 1 999 88 88 LEU HB2 H 1.114 0.020 2 1000 88 88 LEU HB3 H 1.830 0.020 2 1001 88 88 LEU HD1 H 0.445 0.020 2 1002 88 88 LEU HD2 H 0.756 0.020 2 1003 88 88 LEU HG H 1.549 0.020 1 1004 88 88 LEU C C 173.400 0.400 1 1005 88 88 LEU CA C 54.597 0.400 1 1006 88 88 LEU CB C 44.981 0.400 1 1007 88 88 LEU CD1 C 26.018 0.400 1 1008 88 88 LEU CD2 C 24.744 0.400 1 1009 88 88 LEU CG C 28.096 0.400 1 1010 88 88 LEU N N 132.866 0.400 1 1011 89 89 ILE H H 8.842 0.020 1 1012 89 89 ILE HA H 5.531 0.020 1 1013 89 89 ILE HB H 1.765 0.020 1 1014 89 89 ILE HD1 H 0.720 0.020 1 1015 89 89 ILE HG12 H 0.849 0.020 2 1016 89 89 ILE HG13 H 1.660 0.020 2 1017 89 89 ILE HG2 H 1.041 0.020 1 1018 89 89 ILE C C 175.800 0.400 1 1019 89 89 ILE CA C 59.736 0.400 1 1020 89 89 ILE CB C 41.796 0.400 1 1021 89 89 ILE CD1 C 16.722 0.400 1 1022 89 89 ILE CG1 C 28.471 0.400 1 1023 89 89 ILE CG2 C 19.392 0.400 1 1024 89 89 ILE N N 125.695 0.400 1 1025 90 90 CYS H H 9.330 0.020 1 1026 90 90 CYS HA H 5.034 0.020 1 1027 90 90 CYS HB2 H 3.172 0.020 2 1028 90 90 CYS HB3 H 3.294 0.020 2 1029 90 90 CYS C C 172.300 0.400 1 1030 90 90 CYS CA C 57.377 0.400 1 1031 90 90 CYS CB C 30.718 0.400 1 1032 90 90 CYS N N 119.666 0.400 1 1033 91 91 GLU H H 9.669 0.020 1 1034 91 91 GLU HA H 4.703 0.020 1 1035 91 91 GLU HB2 H 2.290 0.020 2 1036 91 91 GLU HB3 H 2.185 0.020 2 1037 91 91 GLU HG2 H 2.485 0.020 2 1038 91 91 GLU HG3 H 2.576 0.020 2 1039 91 91 GLU C C 176.000 0.400 1 1040 91 91 GLU CA C 57.984 0.400 1 1041 91 91 GLU CB C 31.598 0.400 1 1042 91 91 GLU CG C 36.973 0.400 1 1043 91 91 GLU N N 117.759 0.400 1 1044 92 92 ASP H H 7.321 0.020 1 1045 92 92 ASP HA H 4.960 0.020 1 1046 92 92 ASP HB2 H 2.734 0.020 2 1047 92 92 ASP HB3 H 3.030 0.020 2 1048 92 92 ASP C C 175.300 0.400 1 1049 92 92 ASP CA C 52.376 0.400 1 1050 92 92 ASP CB C 44.039 0.400 1 1051 92 92 ASP N N 112.703 0.400 1 1052 93 93 GLU H H 8.902 0.020 1 1053 93 93 GLU HA H 4.091 0.020 1 1054 93 93 GLU HB2 H 1.881 0.020 2 1055 93 93 GLU HB3 H 2.027 0.020 2 1056 93 93 GLU HG2 H 2.281 0.020 2 1057 93 93 GLU HG3 H 2.309 0.020 2 1058 93 93 GLU C C 178.500 0.400 1 1059 93 93 GLU CA C 58.206 0.400 1 1060 93 93 GLU CB C 29.562 0.400 1 1061 93 93 GLU CG C 34.917 0.400 1 1062 93 93 GLU N N 121.211 0.400 1 1063 94 94 GLU H H 8.563 0.020 1 1064 94 94 GLU HA H 4.046 0.020 1 1065 94 94 GLU HB2 H 1.952 0.020 2 1066 94 94 GLU HB3 H 2.088 0.020 2 1067 94 94 GLU HG2 H 2.259 0.020 2 1068 94 94 GLU HG3 H 2.259 0.020 2 1069 94 94 GLU C C 179.300 0.400 1 1070 94 94 GLU CA C 59.945 0.400 1 1071 94 94 GLU CB C 29.030 0.400 1 1072 94 94 GLU CG C 36.362 0.400 1 1073 94 94 GLU N N 121.333 0.400 1 1074 95 95 THR H H 8.530 0.020 1 1075 95 95 THR HA H 3.578 0.020 1 1076 95 95 THR HB H 4.234 0.020 1 1077 95 95 THR HG2 H 1.155 0.020 1 1078 95 95 THR C C 175.000 0.400 1 1079 95 95 THR CA C 67.888 0.400 1 1080 95 95 THR CG2 C 21.551 0.400 1 1081 95 95 THR N N 118.335 0.400 1 1082 96 96 PHE H H 7.600 0.020 1 1083 96 96 PHE HA H 3.682 0.020 1 1084 96 96 PHE HB2 H 2.784 0.020 2 1085 96 96 PHE HB3 H 3.294 0.020 2 1086 96 96 PHE HD1 H 7.020 0.020 1 1087 96 96 PHE HD2 H 7.020 0.020 1 1088 96 96 PHE HE1 H 6.909 0.020 1 1089 96 96 PHE HE2 H 6.909 0.020 1 1090 96 96 PHE HZ H 6.509 0.020 1 1091 96 96 PHE C C 175.800 0.400 1 1092 96 96 PHE CA C 62.617 0.400 1 1093 96 96 PHE CB C 38.671 0.400 1 1094 96 96 PHE CD1 C 132.445 0.400 1 1095 96 96 PHE CD2 C 132.445 0.400 1 1096 96 96 PHE CE1 C 130.971 0.400 1 1097 96 96 PHE CE2 C 130.971 0.400 1 1098 96 96 PHE CG C 138.672 0.400 1 1099 96 96 PHE CZ C 128.709 0.400 1 1100 96 96 PHE N N 120.835 0.400 1 1101 97 97 ARG H H 8.507 0.020 1 1102 97 97 ARG HA H 3.716 0.020 1 1103 97 97 ARG HB2 H 1.922 0.020 2 1104 97 97 ARG HB3 H 1.922 0.020 2 1105 97 97 ARG HD2 H 3.203 0.020 2 1106 97 97 ARG HD3 H 3.203 0.020 2 1107 97 97 ARG HG2 H 1.913 0.020 2 1108 97 97 ARG HG3 H 1.913 0.020 2 1109 97 97 ARG C C 178.400 0.400 1 1110 97 97 ARG CA C 59.655 0.400 1 1111 97 97 ARG CB C 29.764 0.400 1 1112 97 97 ARG CD C 43.236 0.400 1 1113 97 97 ARG CG C 27.478 0.400 1 1114 97 97 ARG N N 117.602 0.400 1 1115 98 98 LYS H H 7.630 0.020 1 1116 98 98 LYS HA H 3.850 0.020 1 1117 98 98 LYS HB2 H 1.587 0.020 2 1118 98 98 LYS HB3 H 1.758 0.020 2 1119 98 98 LYS HD2 H 1.578 0.020 2 1120 98 98 LYS HD3 H 1.578 0.020 2 1121 98 98 LYS HE2 H 2.774 0.020 2 1122 98 98 LYS HE3 H 2.845 0.020 2 1123 98 98 LYS HG2 H 1.317 0.020 2 1124 98 98 LYS HG3 H 1.593 0.020 2 1125 98 98 LYS C C 179.900 0.400 1 1126 98 98 LYS CA C 58.888 0.400 1 1127 98 98 LYS CB C 32.623 0.400 1 1128 98 98 LYS CD C 29.319 0.400 1 1129 98 98 LYS CE C 42.022 0.400 1 1130 98 98 LYS CG C 25.216 0.400 1 1131 98 98 LYS N N 118.465 0.400 1 1132 99 99 ILE H H 7.620 0.020 1 1133 99 99 ILE HA H 3.308 0.020 1 1134 99 99 ILE HB H 1.344 0.020 1 1135 99 99 ILE HD1 H -0.359 0.020 1 1136 99 99 ILE HG12 H 0.293 0.020 2 1137 99 99 ILE HG13 H 0.680 0.020 2 1138 99 99 ILE HG2 H 0.224 0.020 1 1139 99 99 ILE C C 178.200 0.400 1 1140 99 99 ILE CA C 62.474 0.400 1 1141 99 99 ILE CB C 35.539 0.400 1 1142 99 99 ILE CD1 C 10.985 0.400 1 1143 99 99 ILE CG1 C 27.023 0.400 1 1144 99 99 ILE CG2 C 18.401 0.400 1 1145 99 99 ILE N N 116.315 0.400 1 1146 100 100 TYR H H 8.666 0.020 1 1147 100 100 TYR HA H 4.035 0.020 1 1148 100 100 TYR HB2 H 2.144 0.020 2 1149 100 100 TYR HB3 H 2.144 0.020 2 1150 100 100 TYR HD1 H 7.101 0.020 1 1151 100 100 TYR HD2 H 6.812 0.020 1 1152 100 100 TYR HE1 H 6.810 0.020 1 1153 100 100 TYR HE2 H 6.485 0.020 1 1154 100 100 TYR HH H 9.782 0.020 1 1155 100 100 TYR C C 178.300 0.400 1 1156 100 100 TYR CA C 58.878 0.400 1 1157 100 100 TYR CB C 38.039 0.400 1 1158 100 100 TYR CD1 C 133.431 0.400 1 1159 100 100 TYR CD2 C 132.361 0.400 1 1160 100 100 TYR CE1 C 118.542 0.400 1 1161 100 100 TYR CE2 C 117.914 0.400 1 1162 100 100 TYR N N 120.713 0.400 1 1163 101 101 GLU H H 7.914 0.020 1 1164 101 101 GLU HA H 3.531 0.020 1 1165 101 101 GLU HB2 H 1.894 0.020 2 1166 101 101 GLU HB3 H 1.894 0.020 2 1167 101 101 GLU HG2 H 2.066 0.020 2 1168 101 101 GLU HG3 H 2.279 0.020 2 1169 101 101 GLU C C 178.000 0.400 1 1170 101 101 GLU CA C 58.818 0.400 1 1171 101 101 GLU CB C 29.067 0.400 1 1172 101 101 GLU CG C 36.364 0.400 1 1173 101 101 GLU N N 117.549 0.400 1 1174 102 102 LEU H H 6.992 0.020 1 1175 102 102 LEU HA H 4.097 0.020 1 1176 102 102 LEU HB2 H 1.135 0.020 2 1177 102 102 LEU HB3 H 1.788 0.020 2 1178 102 102 LEU HD1 H 0.576 0.020 2 1179 102 102 LEU HD2 H 0.680 0.020 2 1180 102 102 LEU HG H 1.626 0.020 1 1181 102 102 LEU C C 179.000 0.400 1 1182 102 102 LEU CA C 56.736 0.400 1 1183 102 102 LEU CB C 43.111 0.400 1 1184 102 102 LEU CD1 C 25.894 0.400 1 1185 102 102 LEU CD2 C 22.572 0.400 1 1186 102 102 LEU CG C 26.783 0.400 1 1187 102 102 LEU N N 117.226 0.400 1 1188 103 103 ILE H H 7.859 0.020 1 1189 103 103 ILE HA H 4.788 0.020 1 1190 103 103 ILE HB H 1.836 0.020 1 1191 103 103 ILE HD1 H 0.496 0.020 1 1192 103 103 ILE HG12 H 1.346 0.020 2 1193 103 103 ILE HG13 H 2.053 0.020 2 1194 103 103 ILE HG2 H 0.711 0.020 1 1195 103 103 ILE C C 176.900 0.400 1 1196 103 103 ILE CA C 61.748 0.400 1 1197 103 103 ILE CB C 38.299 0.400 1 1198 103 103 ILE CD1 C 14.065 0.400 1 1199 103 103 ILE CG1 C 23.321 0.400 1 1200 103 103 ILE CG2 C 17.495 0.400 1 1201 103 103 ILE N N 112.118 0.400 1 1202 104 104 GLY H H 7.961 0.020 1 1203 104 104 GLY HA2 H 3.321 0.020 2 1204 104 104 GLY HA3 H 3.777 0.020 2 1205 104 104 GLY C C 170.400 0.400 1 1206 104 104 GLY CA C 45.448 0.400 1 1207 104 104 GLY N N 111.696 0.400 1 1208 105 105 GLY H H 7.299 0.020 1 1209 105 105 GLY HA2 H 3.581 0.020 2 1210 105 105 GLY HA3 H 4.211 0.020 2 1211 105 105 GLY C C 175.400 0.400 1 1212 105 105 GLY CA C 43.576 0.400 1 1213 105 105 GLY N N 99.901 0.400 1 1214 106 106 GLU H H 8.796 0.020 1 1215 106 106 GLU HA H 4.796 0.020 1 1216 106 106 GLU HB2 H 1.874 0.020 2 1217 106 106 GLU HB3 H 1.970 0.020 2 1218 106 106 GLU HG2 H 2.214 0.020 2 1219 106 106 GLU HG3 H 2.250 0.020 2 1220 106 106 GLU C C 175.400 0.400 1 1221 106 106 GLU CA C 54.435 0.400 1 1222 106 106 GLU CB C 32.827 0.400 1 1223 106 106 GLU CG C 35.714 0.400 1 1224 106 106 GLU N N 120.464 0.400 1 1225 107 107 ILE H H 8.672 0.020 1 1226 107 107 ILE HA H 3.900 0.020 1 1227 107 107 ILE HB H 1.661 0.020 1 1228 107 107 ILE HD1 H 0.497 0.020 1 1229 107 107 ILE HG12 H 0.546 0.020 2 1230 107 107 ILE HG13 H 1.350 0.020 2 1231 107 107 ILE HG2 H 0.816 0.020 1 1232 107 107 ILE C C 176.200 0.400 1 1233 107 107 ILE CA C 62.994 0.400 1 1234 107 107 ILE CB C 36.815 0.400 1 1235 107 107 ILE CD1 C 13.123 0.400 1 1236 107 107 ILE CG1 C 28.351 0.400 1 1237 107 107 ILE CG2 C 17.299 0.400 1 1238 107 107 ILE N N 126.282 0.400 1 1239 108 108 ASP H H 8.847 0.020 1 1240 108 108 ASP HA H 4.564 0.020 1 1241 108 108 ASP HB2 H 2.698 0.020 2 1242 108 108 ASP HB3 H 2.698 0.020 2 1243 108 108 ASP C C 175.100 0.400 1 1244 108 108 ASP CA C 53.743 0.400 1 1245 108 108 ASP CB C 40.566 0.400 1 1246 108 108 ASP N N 128.342 0.400 1 1247 109 109 ASP H H 9.180 0.020 1 1248 109 109 ASP HA H 4.374 0.020 1 1249 109 109 ASP HB2 H 2.611 0.020 2 1250 109 109 ASP HB3 H 2.767 0.020 2 1251 109 109 ASP C C 179.000 0.400 1 1252 109 109 ASP CA C 57.030 0.400 1 1253 109 109 ASP CB C 39.839 0.400 1 1254 109 109 ASP N N 125.344 0.400 1 1255 110 110 SER H H 8.820 0.020 1 1256 110 110 SER HA H 3.621 0.020 1 1257 110 110 SER HB2 H 4.179 0.020 2 1258 110 110 SER HB3 H 3.923 0.020 2 1259 110 110 SER C C 177.700 0.400 1 1260 110 110 SER CA C 61.671 0.400 1 1261 110 110 SER CB C 62.348 0.400 1 1262 110 110 SER N N 119.584 0.400 1 1263 111 111 VAL H H 7.178 0.020 1 1264 111 111 VAL HA H 4.124 0.020 1 1265 111 111 VAL HB H 2.259 0.020 1 1266 111 111 VAL HG1 H 0.890 0.020 2 1267 111 111 VAL HG2 H 0.907 0.020 2 1268 111 111 VAL C C 176.900 0.400 1 1269 111 111 VAL CA C 63.196 0.400 1 1270 111 111 VAL CB C 30.936 0.400 1 1271 111 111 VAL CG1 C 20.711 0.400 1 1272 111 111 VAL CG2 C 17.703 0.400 1 1273 111 111 VAL N N 114.068 0.400 1 1274 112 112 LEU H H 7.689 0.020 1 1275 112 112 LEU HA H 3.910 0.020 1 1276 112 112 LEU HB2 H 1.190 0.020 2 1277 112 112 LEU HB3 H 1.969 0.020 2 1278 112 112 LEU HD1 H 0.796 0.020 2 1279 112 112 LEU HD2 H 0.641 0.020 2 1280 112 112 LEU HG H 0.778 0.020 1 1281 112 112 LEU C C 176.900 0.400 1 1282 112 112 LEU CA C 55.518 0.400 1 1283 112 112 LEU CB C 41.032 0.400 1 1284 112 112 LEU CD1 C 22.597 0.400 1 1285 112 112 LEU CD2 C 22.692 0.400 1 1286 112 112 LEU CG C 25.331 0.400 1 1287 112 112 LEU N N 116.675 0.400 1 1288 113 113 GLU H H 7.026 0.020 1 1289 113 113 GLU HA H 4.120 0.020 1 1290 113 113 GLU HB2 H 2.069 0.020 2 1291 113 113 GLU HB3 H 2.194 0.020 2 1292 113 113 GLU HG2 H 2.295 0.020 2 1293 113 113 GLU HG3 H 2.408 0.020 2 1294 113 113 GLU C C 177.300 0.400 1 1295 113 113 GLU CA C 55.911 0.400 1 1296 113 113 GLU CB C 30.165 0.400 1 1297 113 113 GLU CG C 36.385 0.400 1 1298 113 113 GLU N N 115.405 0.400 1 1299 114 114 ILE H H 9.169 0.020 1 1300 114 114 ILE HA H 3.940 0.020 1 1301 114 114 ILE HB H 1.857 0.020 1 1302 114 114 ILE HD1 H 0.635 0.020 1 1303 114 114 ILE HG12 H 1.142 0.020 2 1304 114 114 ILE HG13 H 1.460 0.020 2 1305 114 114 ILE HG2 H 0.872 0.020 1 1306 114 114 ILE C C 174.500 0.400 1 1307 114 114 ILE CA C 61.209 0.400 1 1308 114 114 ILE CB C 37.613 0.400 1 1309 114 114 ILE CD1 C 12.226 0.400 1 1310 114 114 ILE CG1 C 27.274 0.400 1 1311 114 114 ILE CG2 C 18.703 0.400 1 1312 114 114 ILE N N 121.111 0.400 1 1313 115 115 ASN H H 6.868 0.020 1 1314 115 115 ASN HA H 4.819 0.020 1 1315 115 115 ASN HB2 H 2.921 0.020 2 1316 115 115 ASN HB3 H 3.157 0.020 2 1317 115 115 ASN HD21 H 7.618 0.020 2 1318 115 115 ASN HD22 H 7.085 0.020 2 1319 115 115 ASN C C 174.800 0.400 1 1320 115 115 ASN CA C 51.755 0.400 1 1321 115 115 ASN CB C 40.047 0.400 1 1322 115 115 ASN CG C 176.109 0.400 1 1323 115 115 ASN N N 121.316 0.400 1 1324 115 115 ASN ND2 N 114.624 0.400 1 1325 116 116 GLU H H 8.941 0.020 1 1326 116 116 GLU HA H 4.080 0.020 1 1327 116 116 GLU HB2 H 2.018 0.020 2 1328 116 116 GLU HB3 H 2.053 0.020 2 1329 116 116 GLU HG2 H 2.293 0.020 2 1330 116 116 GLU HG3 H 2.315 0.020 2 1331 116 116 GLU C C 178.700 0.400 1 1332 116 116 GLU CA C 60.710 0.400 1 1333 116 116 GLU CB C 29.763 0.400 1 1334 116 116 GLU CG C 36.385 0.400 1 1335 116 116 GLU N N 119.635 0.400 1 1336 117 117 ASP H H 8.219 0.020 1 1337 117 117 ASP HA H 4.438 0.020 1 1338 117 117 ASP HB2 H 2.639 0.020 2 1339 117 117 ASP HB3 H 2.639 0.020 2 1340 117 117 ASP C C 179.000 0.400 1 1341 117 117 ASP CA C 57.421 0.400 1 1342 117 117 ASP CB C 40.578 0.400 1 1343 117 117 ASP N N 119.981 0.400 1 1344 118 118 LYS H H 8.459 0.020 1 1345 118 118 LYS HA H 4.134 0.020 1 1346 118 118 LYS HB2 H 1.628 0.020 2 1347 118 118 LYS HB3 H 1.783 0.020 2 1348 118 118 LYS HD2 H 2.007 0.020 2 1349 118 118 LYS HD3 H 2.007 0.020 2 1350 118 118 LYS HE2 H 3.111 0.020 2 1351 118 118 LYS HE3 H 3.111 0.020 2 1352 118 118 LYS HG2 H 1.361 0.020 2 1353 118 118 LYS HG3 H 1.361 0.020 2 1354 118 118 LYS C C 178.200 0.400 1 1355 118 118 LYS CA C 59.494 0.400 1 1356 118 118 LYS CB C 33.075 0.400 1 1357 118 118 LYS CD C 28.435 0.400 1 1358 118 118 LYS CE C 43.139 0.400 1 1359 118 118 LYS CG C 24.609 0.400 1 1360 118 118 LYS N N 120.807 0.400 1 1361 119 119 GLU H H 8.811 0.020 1 1362 119 119 GLU HA H 3.627 0.020 1 1363 119 119 GLU HB2 H 2.072 0.020 2 1364 119 119 GLU HB3 H 2.072 0.020 2 1365 119 119 GLU HG2 H 2.120 0.020 2 1366 119 119 GLU HG3 H 2.212 0.020 2 1367 119 119 GLU C C 177.700 0.400 1 1368 119 119 GLU CA C 61.138 0.400 1 1369 119 119 GLU CB C 28.414 0.400 1 1370 119 119 GLU CG C 36.786 0.400 1 1371 119 119 GLU N N 119.225 0.400 1 1372 120 120 ARG H H 7.309 0.020 1 1373 120 120 ARG HA H 3.936 0.020 1 1374 120 120 ARG HB2 H 2.015 0.020 2 1375 120 120 ARG HB3 H 2.015 0.020 2 1376 120 120 ARG HD2 H 3.241 0.020 2 1377 120 120 ARG HD3 H 3.241 0.020 2 1378 120 120 ARG HG2 H 1.569 0.020 2 1379 120 120 ARG HG3 H 1.811 0.020 2 1380 120 120 ARG C C 178.900 0.400 1 1381 120 120 ARG CA C 59.729 0.400 1 1382 120 120 ARG CB C 30.195 0.400 1 1383 120 120 ARG CD C 43.282 0.400 1 1384 120 120 ARG CG C 27.731 0.400 1 1385 120 120 ARG N N 116.732 0.400 1 1386 121 121 LEU H H 7.594 0.020 1 1387 121 121 LEU HA H 4.184 0.020 1 1388 121 121 LEU HB2 H 1.696 0.020 2 1389 121 121 LEU HB3 H 1.884 0.020 2 1390 121 121 LEU HD1 H 0.870 0.020 2 1391 121 121 LEU HD2 H 0.906 0.020 2 1392 121 121 LEU HG H 1.557 0.020 1 1393 121 121 LEU C C 178.700 0.400 1 1394 121 121 LEU CA C 57.923 0.400 1 1395 121 121 LEU CB C 42.325 0.400 1 1396 121 121 LEU CD1 C 25.293 0.400 1 1397 121 121 LEU CD2 C 23.657 0.400 1 1398 121 121 LEU CG C 26.921 0.400 1 1399 121 121 LEU N N 121.390 0.400 1 1400 122 122 ILE H H 9.213 0.020 1 1401 122 122 ILE HA H 3.638 0.020 1 1402 122 122 ILE HB H 1.860 0.020 1 1403 122 122 ILE HD1 H 0.551 0.020 1 1404 122 122 ILE HG12 H 1.061 0.020 2 1405 122 122 ILE HG13 H 1.061 0.020 2 1406 122 122 ILE HG2 H 0.694 0.020 1 1407 122 122 ILE C C 178.200 0.400 1 1408 122 122 ILE CA C 66.313 0.400 1 1409 122 122 ILE CB C 38.286 0.400 1 1410 122 122 ILE CD1 C 14.078 0.400 1 1411 122 122 ILE CG1 C 30.768 0.400 1 1412 122 122 ILE CG2 C 18.309 0.400 1 1413 122 122 ILE N N 119.392 0.400 1 1414 123 123 ARG H H 8.269 0.020 1 1415 123 123 ARG HA H 3.804 0.020 1 1416 123 123 ARG HB2 H 1.897 0.020 2 1417 123 123 ARG HB3 H 1.897 0.020 2 1418 123 123 ARG HD2 H 3.163 0.020 2 1419 123 123 ARG HD3 H 3.163 0.020 2 1420 123 123 ARG HG2 H 1.477 0.020 2 1421 123 123 ARG HG3 H 1.477 0.020 2 1422 123 123 ARG C C 178.700 0.400 1 1423 123 123 ARG CA C 60.643 0.400 1 1424 123 123 ARG CB C 29.891 0.400 1 1425 123 123 ARG CD C 43.194 0.400 1 1426 123 123 ARG CG C 26.586 0.400 1 1427 123 123 ARG N N 117.152 0.400 1 1428 124 124 GLU H H 7.594 0.020 1 1429 124 124 GLU HA H 4.124 0.020 1 1430 124 124 GLU HB2 H 2.178 0.020 2 1431 124 124 GLU HB3 H 2.178 0.020 2 1432 124 124 GLU HG2 H 2.249 0.020 2 1433 124 124 GLU HG3 H 2.249 0.020 2 1434 124 124 GLU C C 179.500 0.400 1 1435 124 124 GLU CA C 58.953 0.400 1 1436 124 124 GLU CB C 29.791 0.400 1 1437 124 124 GLU CG C 35.599 0.400 1 1438 124 124 GLU N N 117.939 0.400 1 1439 125 125 ILE H H 8.848 0.020 1 1440 125 125 ILE HA H 3.727 0.020 1 1441 125 125 ILE HB H 1.765 0.020 1 1442 125 125 ILE HD1 H 0.769 0.020 1 1443 125 125 ILE HG12 H 1.378 0.020 2 1444 125 125 ILE HG13 H 1.464 0.020 2 1445 125 125 ILE HG2 H 0.461 0.020 1 1446 125 125 ILE C C 178.000 0.400 1 1447 125 125 ILE CA C 63.477 0.400 1 1448 125 125 ILE CB C 37.622 0.400 1 1449 125 125 ILE CD1 C 12.334 0.400 1 1450 125 125 ILE CG1 C 28.845 0.400 1 1451 125 125 ILE CG2 C 17.887 0.400 1 1452 125 125 ILE N N 120.959 0.400 1 1453 126 126 PHE H H 8.405 0.020 1 1454 126 126 PHE HA H 4.372 0.020 1 1455 126 126 PHE HB2 H 2.840 0.020 2 1456 126 126 PHE HB3 H 3.068 0.020 2 1457 126 126 PHE HD1 H 7.389 0.020 1 1458 126 126 PHE HD2 H 7.389 0.020 1 1459 126 126 PHE HE1 H 7.320 0.020 1 1460 126 126 PHE HE2 H 7.320 0.020 1 1461 126 126 PHE HZ H 7.384 0.020 1 1462 126 126 PHE C C 173.800 0.400 1 1463 126 126 PHE CA C 59.446 0.400 1 1464 126 126 PHE CB C 38.580 0.400 1 1465 126 126 PHE CD1 C 131.230 0.400 1 1466 126 126 PHE CD2 C 131.230 0.400 1 1467 126 126 PHE CE1 C 131.244 0.400 1 1468 126 126 PHE CE2 C 131.244 0.400 1 1469 126 126 PHE CG C 139.708 0.400 1 1470 126 126 PHE CZ C 129.054 0.400 1 1471 126 126 PHE N N 115.212 0.400 1 1472 127 127 LYS H H 7.410 0.020 1 1473 127 127 LYS HA H 3.855 0.020 1 1474 127 127 LYS HB2 H 1.727 0.020 2 1475 127 127 LYS HB3 H 1.983 0.020 2 1476 127 127 LYS HD2 H 1.651 0.020 2 1477 127 127 LYS HD3 H 1.651 0.020 2 1478 127 127 LYS HE2 H 2.960 0.020 2 1479 127 127 LYS HE3 H 2.960 0.020 2 1480 127 127 LYS HG2 H 1.294 0.020 2 1481 127 127 LYS HG3 H 1.294 0.020 2 1482 127 127 LYS C C 175.700 0.400 1 1483 127 127 LYS CA C 56.747 0.400 1 1484 127 127 LYS CB C 28.948 0.400 1 1485 127 127 LYS CD C 27.544 0.400 1 1486 127 127 LYS CE C 42.504 0.400 1 1487 127 127 LYS CG C 24.723 0.400 1 1488 127 127 LYS N N 117.343 0.400 1 1489 128 128 ILE H H 8.308 0.020 1 1490 128 128 ILE HA H 4.074 0.020 1 1491 128 128 ILE HB H 1.677 0.020 1 1492 128 128 ILE HD1 H 0.570 0.020 1 1493 128 128 ILE HG12 H 1.415 0.020 2 1494 128 128 ILE HG13 H 1.415 0.020 2 1495 128 128 ILE HG2 H 0.728 0.020 1 1496 128 128 ILE C C 175.700 0.400 1 1497 128 128 ILE CA C 60.052 0.400 1 1498 128 128 ILE CB C 38.865 0.400 1 1499 128 128 ILE CD1 C 13.381 0.400 1 1500 128 128 ILE CG1 C 27.574 0.400 1 1501 128 128 ILE CG2 C 18.123 0.400 1 1502 128 128 ILE N N 118.563 0.400 1 1503 129 129 ARG H H 8.531 0.020 1 1504 129 129 ARG HA H 4.429 0.020 1 1505 129 129 ARG HB2 H 1.652 0.020 2 1506 129 129 ARG HB3 H 1.774 0.020 2 1507 129 129 ARG HD2 H 3.090 0.020 2 1508 129 129 ARG HD3 H 3.090 0.020 2 1509 129 129 ARG HG2 H 1.494 0.020 2 1510 129 129 ARG HG3 H 1.578 0.020 2 1511 129 129 ARG C C 176.700 0.400 1 1512 129 129 ARG CA C 54.844 0.400 1 1513 129 129 ARG CB C 31.598 0.400 1 1514 129 129 ARG CD C 43.033 0.400 1 1515 129 129 ARG CG C 27.093 0.400 1 1516 129 129 ARG N N 126.648 0.400 1 1517 130 130 GLY H H 8.320 0.020 1 1518 130 130 GLY HA2 H 3.639 0.020 2 1519 130 130 GLY HA3 H 3.930 0.020 2 1520 130 130 GLY C C 173.400 0.400 1 1521 130 130 GLY CA C 44.516 0.400 1 1522 130 130 GLY N N 109.565 0.400 1 1523 131 131 PHE H H 8.322 0.020 1 1524 131 131 PHE HA H 4.511 0.020 1 1525 131 131 PHE HB2 H 2.914 0.020 2 1526 131 131 PHE HB3 H 3.087 0.020 2 1527 131 131 PHE HD1 H 7.168 0.020 1 1528 131 131 PHE HD2 H 7.297 0.020 1 1529 131 131 PHE HE1 H 7.290 0.020 1 1530 131 131 PHE HE2 H 7.246 0.020 1 1531 131 131 PHE C C 176.500 0.400 1 1532 131 131 PHE CA C 57.777 0.400 1 1533 131 131 PHE CB C 39.794 0.400 1 1534 131 131 PHE CD1 C 131.489 0.400 1 1535 131 131 PHE CD2 C 131.533 0.400 1 1536 131 131 PHE CE1 C 129.393 0.400 1 1537 131 131 PHE CE2 C 129.935 0.400 1 1538 131 131 PHE CG C 138.158 0.400 1 1539 131 131 PHE N N 120.495 0.400 1 1540 132 132 GLY H H 8.364 0.020 1 1541 132 132 GLY HA2 H 3.624 0.020 2 1542 132 132 GLY HA3 H 3.972 0.020 2 1543 132 132 GLY C C 172.800 0.400 1 1544 132 132 GLY CA C 44.463 0.400 1 1545 132 132 GLY N N 111.666 0.400 1 1546 133 133 ASN H H 8.494 0.020 1 1547 133 133 ASN HA H 4.406 0.020 1 1548 133 133 ASN HB2 H 2.711 0.020 2 1549 133 133 ASN HB3 H 2.711 0.020 2 1550 133 133 ASN HD21 H 7.644 0.020 2 1551 133 133 ASN HD22 H 6.977 0.020 2 1552 133 133 ASN C C 176.300 0.400 1 1553 133 133 ASN CA C 53.671 0.400 1 1554 133 133 ASN CB C 39.219 0.400 1 1555 133 133 ASN CG C 177.298 0.400 1 1556 133 133 ASN N N 118.826 0.400 1 1557 133 133 ASN ND2 N 113.626 0.400 1 1558 134 134 VAL H H 8.736 0.020 1 1559 134 134 VAL HA H 3.436 0.020 1 1560 134 134 VAL HB H 2.047 0.020 1 1561 134 134 VAL HG1 H 0.852 0.020 2 1562 134 134 VAL HG2 H 0.815 0.020 2 1563 134 134 VAL C C 175.500 0.400 1 1564 134 134 VAL CA C 66.045 0.400 1 1565 134 134 VAL CB C 31.506 0.400 1 1566 134 134 VAL CG1 C 23.156 0.400 1 1567 134 134 VAL CG2 C 20.818 0.400 1 1568 134 134 VAL N N 123.665 0.400 1 1569 135 135 VAL H H 7.620 0.020 1 1570 135 135 VAL HA H 3.155 0.020 1 1571 135 135 VAL HB H 2.036 0.020 1 1572 135 135 VAL HG1 H 0.931 0.020 2 1573 135 135 VAL HG2 H 0.783 0.020 2 1574 135 135 VAL C C 177.200 0.400 1 1575 135 135 VAL CA C 67.167 0.400 1 1576 135 135 VAL CB C 31.468 0.400 1 1577 135 135 VAL CG1 C 23.138 0.400 1 1578 135 135 VAL CG2 C 20.372 0.400 1 1579 135 135 VAL N N 119.971 0.400 1 1580 136 136 GLU H H 7.433 0.020 1 1581 136 136 GLU HA H 3.667 0.020 1 1582 136 136 GLU HB2 H 1.922 0.020 2 1583 136 136 GLU HB3 H 2.089 0.020 2 1584 136 136 GLU HG2 H 2.170 0.020 2 1585 136 136 GLU HG3 H 2.170 0.020 2 1586 136 136 GLU C C 179.600 0.400 1 1587 136 136 GLU CA C 59.329 0.400 1 1588 136 136 GLU CB C 28.803 0.400 1 1589 136 136 GLU CG C 36.430 0.400 1 1590 136 136 GLU N N 116.667 0.400 1 1591 137 137 ARG H H 7.896 0.020 1 1592 137 137 ARG HA H 3.987 0.020 1 1593 137 137 ARG HB2 H 1.733 0.020 2 1594 137 137 ARG HB3 H 1.733 0.020 2 1595 137 137 ARG HD2 H 3.082 0.020 2 1596 137 137 ARG HD3 H 3.082 0.020 2 1597 137 137 ARG HG2 H 1.559 0.020 2 1598 137 137 ARG HG3 H 1.559 0.020 2 1599 137 137 ARG C C 179.600 0.400 1 1600 137 137 ARG CA C 57.829 0.400 1 1601 137 137 ARG CB C 30.480 0.400 1 1602 137 137 ARG CD C 42.239 0.400 1 1603 137 137 ARG CG C 25.971 0.400 1 1604 137 137 ARG N N 116.317 0.400 1 1605 138 138 VAL H H 8.111 0.020 1 1606 138 138 VAL HA H 2.952 0.020 1 1607 138 138 VAL HB H 1.700 0.020 1 1608 138 138 VAL HG1 H 0.326 0.020 2 1609 138 138 VAL HG2 H -0.414 0.020 2 1610 138 138 VAL C C 176.900 0.400 1 1611 138 138 VAL CA C 67.243 0.400 1 1612 138 138 VAL CB C 30.752 0.400 1 1613 138 138 VAL CG1 C 24.071 0.400 1 1614 138 138 VAL CG2 C 18.782 0.400 1 1615 138 138 VAL N N 122.748 0.400 1 1616 139 139 LEU H H 7.794 0.020 1 1617 139 139 LEU HA H 3.451 0.020 1 1618 139 139 LEU HB2 H 0.875 0.020 2 1619 139 139 LEU HB3 H 1.556 0.020 2 1620 139 139 LEU HD1 H 0.471 0.020 2 1621 139 139 LEU HD2 H 0.325 0.020 2 1622 139 139 LEU HG H 1.563 0.020 1 1623 139 139 LEU C C 179.500 0.400 1 1624 139 139 LEU CA C 58.171 0.400 1 1625 139 139 LEU CB C 39.422 0.400 1 1626 139 139 LEU CD1 C 24.558 0.400 1 1627 139 139 LEU CD2 C 22.323 0.400 1 1628 139 139 LEU CG C 26.499 0.400 1 1629 139 139 LEU N N 117.662 0.400 1 1630 140 140 GLU H H 7.624 0.020 1 1631 140 140 GLU HA H 3.894 0.020 1 1632 140 140 GLU HB2 H 1.965 0.020 2 1633 140 140 GLU HB3 H 1.965 0.020 2 1634 140 140 GLU HG2 H 2.117 0.020 2 1635 140 140 GLU HG3 H 2.275 0.020 2 1636 140 140 GLU C C 178.300 0.400 1 1637 140 140 GLU CA C 58.847 0.400 1 1638 140 140 GLU CB C 30.054 0.400 1 1639 140 140 GLU CG C 36.070 0.400 1 1640 140 140 GLU N N 117.664 0.400 1 1641 141 141 LYS H H 7.543 0.020 1 1642 141 141 LYS HA H 4.087 0.020 1 1643 141 141 LYS HB2 H 1.969 0.020 2 1644 141 141 LYS HB3 H 1.969 0.020 2 1645 141 141 LYS HD2 H 1.709 0.020 2 1646 141 141 LYS HD3 H 1.802 0.020 2 1647 141 141 LYS HE2 H 3.082 0.020 2 1648 141 141 LYS HE3 H 3.082 0.020 2 1649 141 141 LYS HG2 H 1.720 0.020 2 1650 141 141 LYS HG3 H 1.522 0.020 2 1651 141 141 LYS C C 179.900 0.400 1 1652 141 141 LYS CA C 58.181 0.400 1 1653 141 141 LYS CB C 32.093 0.400 1 1654 141 141 LYS CD C 28.840 0.400 1 1655 141 141 LYS CE C 42.239 0.400 1 1656 141 141 LYS CG C 24.707 0.400 1 1657 141 141 LYS N N 119.118 0.400 1 1658 142 142 ILE H H 8.152 0.020 1 1659 142 142 ILE HA H 3.975 0.020 1 1660 142 142 ILE HB H 2.044 0.020 1 1661 142 142 ILE HD1 H 0.789 0.020 1 1662 142 142 ILE HG2 H 0.711 0.020 1 1663 142 142 ILE C C 177.800 0.400 1 1664 142 142 ILE CA C 64.191 0.400 1 1665 142 142 ILE CB C 37.104 0.400 1 1666 142 142 ILE CD1 C 14.567 0.400 1 1667 142 142 ILE CG2 C 16.999 0.400 1 1668 142 142 ILE N N 114.049 0.400 1 1669 143 143 ALA H H 7.409 0.020 1 1670 143 143 ALA HA H 4.122 0.020 1 1671 143 143 ALA HB H 1.474 0.020 1 1672 143 143 ALA C C 175.200 0.400 1 1673 143 143 ALA CA C 53.934 0.400 1 1674 143 143 ALA CB C 18.518 0.400 1 1675 143 143 ALA N N 123.578 0.400 1 1676 144 144 LEU H H 7.653 0.020 1 1677 144 144 LEU HA H 4.246 0.020 1 1678 144 144 LEU HB2 H 1.543 0.020 2 1679 144 144 LEU HB3 H 1.799 0.020 2 1680 144 144 LEU HD1 H 0.844 0.020 2 1681 144 144 LEU HD2 H 0.810 0.020 2 1682 144 144 LEU HG H 1.830 0.020 1 1683 144 144 LEU C C 177.400 0.400 1 1684 144 144 LEU CA C 55.491 0.400 1 1685 144 144 LEU CB C 41.634 0.400 1 1686 144 144 LEU CD1 C 25.664 0.400 1 1687 144 144 LEU CD2 C 23.514 0.400 1 1688 144 144 LEU CG C 26.523 0.400 1 1689 144 144 LEU N N 119.054 0.400 1 1690 145 145 ILE H H 7.458 0.020 1 1691 145 145 ILE HA H 3.844 0.020 1 1692 145 145 ILE HB H 1.740 0.020 1 1693 145 145 ILE HD1 H 0.718 0.020 1 1694 145 145 ILE HG12 H 0.853 0.020 2 1695 145 145 ILE HG13 H 1.518 0.020 2 1696 145 145 ILE HG2 H 0.755 0.020 1 1697 145 145 ILE C C 176.200 0.400 1 1698 145 145 ILE CA C 63.210 0.400 1 1699 145 145 ILE CB C 38.589 0.400 1 1700 145 145 ILE CD1 C 14.742 0.400 1 1701 145 145 ILE CG1 C 28.104 0.400 1 1702 145 145 ILE CG2 C 17.664 0.400 1 1703 145 145 ILE N N 120.164 0.400 1 1704 146 146 GLU H H 7.723 0.020 1 1705 146 146 GLU HA H 4.162 0.020 1 1706 146 146 GLU HB2 H 1.866 0.020 2 1707 146 146 GLU HB3 H 2.066 0.020 2 1708 146 146 GLU HG2 H 2.122 0.020 2 1709 146 146 GLU HG3 H 2.122 0.020 2 1710 146 146 GLU C C 178.400 0.400 1 1711 146 146 GLU CA C 56.331 0.400 1 1712 146 146 GLU CB C 30.584 0.400 1 1713 146 146 GLU CG C 36.401 0.400 1 1714 146 146 GLU N N 120.215 0.400 1 1715 147 147 LEU H H 7.894 0.020 1 1716 147 147 LEU HA H 4.253 0.020 1 1717 147 147 LEU HB2 H 1.577 0.020 2 1718 147 147 LEU HB3 H 1.577 0.020 2 1719 147 147 LEU HD1 H 0.882 0.020 2 1720 147 147 LEU HD2 H 0.871 0.020 2 1721 147 147 LEU HG H 1.563 0.020 1 1722 147 147 LEU C C 176.900 0.400 1 1723 147 147 LEU CA C 55.190 0.400 1 1724 147 147 LEU CB C 42.508 0.400 1 1725 147 147 LEU CD1 C 24.697 0.400 1 1726 147 147 LEU CD2 C 23.552 0.400 1 1727 147 147 LEU CG C 26.499 0.400 1 1728 147 147 LEU N N 122.236 0.400 1 1729 148 148 LYS H H 8.065 0.020 1 1730 148 148 LYS HA H 4.267 0.020 1 1731 148 148 LYS HB2 H 1.649 0.020 2 1732 148 148 LYS HB3 H 1.773 0.020 2 1733 148 148 LYS HD2 H 1.633 0.020 2 1734 148 148 LYS HD3 H 1.633 0.020 2 1735 148 148 LYS HE2 H 2.938 0.020 2 1736 148 148 LYS HE3 H 2.938 0.020 2 1737 148 148 LYS HG2 H 1.335 0.020 2 1738 148 148 LYS HG3 H 1.335 0.020 2 1739 148 148 LYS C C 175.900 0.400 1 1740 148 148 LYS CA C 56.077 0.400 1 1741 148 148 LYS CB C 33.003 0.400 1 1742 148 148 LYS CD C 29.008 0.400 1 1743 148 148 LYS CE C 42.130 0.400 1 1744 148 148 LYS CG C 24.624 0.400 1 1745 148 148 LYS N N 122.285 0.400 1 1746 149 149 LYS H H 8.340 0.020 1 1747 149 149 LYS HA H 4.251 0.020 1 1748 149 149 LYS HB2 H 1.755 0.020 2 1749 149 149 LYS HB3 H 1.755 0.020 2 1750 149 149 LYS HD2 H 2.935 0.020 2 1751 149 149 LYS HD3 H 2.935 0.020 2 1752 149 149 LYS HE2 H 2.926 0.020 2 1753 149 149 LYS HE3 H 2.926 0.020 2 1754 149 149 LYS HG2 H 1.374 0.020 2 1755 149 149 LYS HG3 H 1.625 0.020 2 1756 149 149 LYS C C 175.400 0.400 1 1757 149 149 LYS CA C 56.253 0.400 1 1758 149 149 LYS CB C 33.141 0.400 1 1759 149 149 LYS CD C 28.987 0.400 1 1760 149 149 LYS CE C 42.139 0.400 1 1761 149 149 LYS CG C 24.627 0.400 1 1762 149 149 LYS N N 124.084 0.400 1 1763 150 150 GLU H H 7.930 0.020 1 1764 150 150 GLU HA H 4.051 0.020 1 1765 150 150 GLU C C 180.800 0.400 1 1766 150 150 GLU CA C 57.981 0.400 1 1767 150 150 GLU CB C 31.322 0.400 1 1768 150 150 GLU N N 127.157 0.400 1 stop_ save_