data_11258 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Mouse Hypothetical Protein 2900073H19RIK ; _BMRB_accession_number 11258 _BMRB_flat_file_name bmr11258.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Zhao C. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 625 "13C chemical shifts" 472 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-17 original author . stop_ _Original_release_date 2011-08-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Mouse Hypothetical Protein 2900073H19RIK' _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 Zhao C. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'RIKEN cDNA 2900073H19 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RIKEN cDNA 2900073H19 protein' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ThiS domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGMAAPLCVKVEFGG GAELLFDGVKKHQVALPGQE EPWDIRNLLVWIKKNLLKER PELFIQGDSVRPGILVLIND ADWELLGELDYQLQDQDSIL FISTLHGGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 ALA 11 PRO 12 LEU 13 CYS 14 VAL 15 LYS 16 VAL 17 GLU 18 PHE 19 GLY 20 GLY 21 GLY 22 ALA 23 GLU 24 LEU 25 LEU 26 PHE 27 ASP 28 GLY 29 VAL 30 LYS 31 LYS 32 HIS 33 GLN 34 VAL 35 ALA 36 LEU 37 PRO 38 GLY 39 GLN 40 GLU 41 GLU 42 PRO 43 TRP 44 ASP 45 ILE 46 ARG 47 ASN 48 LEU 49 LEU 50 VAL 51 TRP 52 ILE 53 LYS 54 LYS 55 ASN 56 LEU 57 LEU 58 LYS 59 GLU 60 ARG 61 PRO 62 GLU 63 LEU 64 PHE 65 ILE 66 GLN 67 GLY 68 ASP 69 SER 70 VAL 71 ARG 72 PRO 73 GLY 74 ILE 75 LEU 76 VAL 77 LEU 78 ILE 79 ASN 80 ASP 81 ALA 82 ASP 83 TRP 84 GLU 85 LEU 86 LEU 87 GLY 88 GLU 89 LEU 90 ASP 91 TYR 92 GLN 93 LEU 94 GLN 95 ASP 96 GLN 97 ASP 98 SER 99 ILE 100 LEU 101 PHE 102 ILE 103 SER 104 THR 105 LEU 106 HIS 107 GLY 108 GLY 109 SER 110 GLY 111 PRO 112 SER 113 SER 114 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-19 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 1WGK "Solution Structure Of Mouse Hypothetical Protein 2900073h19rik" 100.00 114 100.00 100.00 6.30e-74 PDB 1XO3 "Solution Structure Of Ubiquitin Like Protein From Mus Musculus" 87.72 101 100.00 100.00 6.09e-64 DBJ BAB31673 "unnamed protein product [Mus musculus]" 88.60 101 100.00 100.00 9.04e-65 DBJ BAC33621 "unnamed protein product [Mus musculus]" 88.60 101 99.01 99.01 7.17e-64 DBJ BAC33956 "unnamed protein product [Mus musculus]" 88.60 101 100.00 100.00 9.04e-65 GB AAH26994 "Ubiquitin related modifier 1 homolog (S. cerevisiae) [Mus musculus]" 88.60 101 100.00 100.00 9.04e-65 GB AAI69094 "Urm1 protein [Rattus norvegicus]" 88.60 101 97.03 98.02 5.75e-63 GB EDL08423 "RIKEN cDNA 2900073H19, isoform CRA_a [Mus musculus]" 88.60 101 100.00 100.00 9.04e-65 REF NP_001131034 "ubiquitin-related modifier 1 [Rattus norvegicus]" 88.60 101 97.03 98.02 5.75e-63 REF NP_080891 "ubiquitin-related modifier 1 [Mus musculus]" 88.60 101 100.00 100.00 9.04e-65 REF XP_001500842 "PREDICTED: ubiquitin-related modifier 1 homolog [Equus caballus]" 88.60 101 97.03 98.02 2.06e-62 REF XP_006154072 "PREDICTED: ubiquitin-related modifier 1 isoform X1 [Tupaia chinensis]" 78.07 115 97.75 98.88 1.50e-54 REF XP_006181951 "PREDICTED: ubiquitin-related modifier 1 [Camelus ferus]" 88.60 101 97.03 98.02 2.06e-62 SP Q9D2P4 "RecName: Full=Ubiquitin-related modifier 1" 88.60 101 100.00 100.00 9.04e-65 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_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P031215-85 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM PiNa {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . PiNa 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.8996 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RIKEN cDNA 2900073H19 protein' _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 7 7 GLY HA2 H 3.980 0.030 1 2 7 7 GLY HA3 H 3.980 0.030 1 3 7 7 GLY C C 173.957 0.300 1 4 7 7 GLY CA C 45.372 0.300 1 5 8 8 MET H H 8.110 0.030 1 6 8 8 MET HA H 4.444 0.030 1 7 8 8 MET HB2 H 2.047 0.030 2 8 8 8 MET HB3 H 1.963 0.030 2 9 8 8 MET HE H 2.086 0.030 1 10 8 8 MET HG2 H 2.510 0.030 1 11 8 8 MET HG3 H 2.510 0.030 1 12 8 8 MET C C 175.780 0.300 1 13 8 8 MET CA C 55.302 0.300 1 14 8 8 MET CB C 33.292 0.300 1 15 8 8 MET CE C 17.046 0.300 1 16 8 8 MET CG C 32.047 0.300 1 17 8 8 MET N N 119.530 0.300 1 18 9 9 ALA H H 8.335 0.030 1 19 9 9 ALA HA H 4.346 0.030 1 20 9 9 ALA HB H 1.355 0.030 1 21 9 9 ALA C C 176.757 0.300 1 22 9 9 ALA CA C 52.154 0.300 1 23 9 9 ALA CB C 19.405 0.300 1 24 9 9 ALA N N 125.769 0.300 1 25 10 10 ALA H H 8.184 0.030 1 26 10 10 ALA HA H 4.596 0.030 1 27 10 10 ALA HB H 1.388 0.030 1 28 10 10 ALA C C 175.133 0.300 1 29 10 10 ALA CA C 50.432 0.300 1 30 10 10 ALA CB C 18.363 0.300 1 31 10 10 ALA N N 125.159 0.300 1 32 11 11 PRO HA H 4.501 0.030 1 33 11 11 PRO HB2 H 1.716 0.030 2 34 11 11 PRO HB3 H 2.181 0.030 2 35 11 11 PRO HD2 H 3.778 0.030 2 36 11 11 PRO HD3 H 3.635 0.030 2 37 11 11 PRO HG2 H 1.955 0.030 1 38 11 11 PRO HG3 H 1.955 0.030 1 39 11 11 PRO C C 175.745 0.300 1 40 11 11 PRO CA C 62.727 0.300 1 41 11 11 PRO CB C 32.401 0.300 1 42 11 11 PRO CD C 50.327 0.300 1 43 11 11 PRO CG C 27.171 0.300 1 44 12 12 LEU H H 8.240 0.030 1 45 12 12 LEU HA H 4.489 0.030 1 46 12 12 LEU HB2 H 1.407 0.030 1 47 12 12 LEU HB3 H 1.407 0.030 1 48 12 12 LEU HD1 H 0.698 0.030 1 49 12 12 LEU HD2 H 0.704 0.030 1 50 12 12 LEU HG H 1.389 0.030 1 51 12 12 LEU C C 175.050 0.300 1 52 12 12 LEU CA C 54.767 0.300 1 53 12 12 LEU CB C 44.568 0.300 1 54 12 12 LEU CD1 C 25.914 0.300 2 55 12 12 LEU CD2 C 25.653 0.300 2 56 12 12 LEU CG C 27.174 0.300 1 57 12 12 LEU N N 122.459 0.300 1 58 13 13 CYS H H 8.838 0.030 1 59 13 13 CYS HA H 5.246 0.030 1 60 13 13 CYS HB2 H 2.762 0.030 1 61 13 13 CYS HB3 H 2.762 0.030 1 62 13 13 CYS C C 174.121 0.300 1 63 13 13 CYS CA C 57.728 0.300 1 64 13 13 CYS CB C 28.452 0.300 1 65 13 13 CYS N N 123.981 0.300 1 66 14 14 VAL H H 8.598 0.030 1 67 14 14 VAL HA H 4.726 0.030 1 68 14 14 VAL HB H 1.962 0.030 1 69 14 14 VAL HG1 H 0.767 0.030 1 70 14 14 VAL HG2 H 0.472 0.030 1 71 14 14 VAL C C 173.998 0.300 1 72 14 14 VAL CA C 59.044 0.300 1 73 14 14 VAL CB C 35.398 0.300 1 74 14 14 VAL CG1 C 22.507 0.300 2 75 14 14 VAL CG2 C 19.122 0.300 2 76 14 14 VAL N N 118.898 0.300 1 77 15 15 LYS H H 8.777 0.030 1 78 15 15 LYS HA H 4.872 0.030 1 79 15 15 LYS HB2 H 1.850 0.030 2 80 15 15 LYS HB3 H 1.715 0.030 2 81 15 15 LYS HD2 H 1.631 0.030 1 82 15 15 LYS HD3 H 1.631 0.030 1 83 15 15 LYS HE2 H 2.882 0.030 1 84 15 15 LYS HE3 H 2.882 0.030 1 85 15 15 LYS HG2 H 1.293 0.030 2 86 15 15 LYS HG3 H 1.366 0.030 2 87 15 15 LYS C C 174.814 0.300 1 88 15 15 LYS CA C 55.369 0.300 1 89 15 15 LYS CB C 33.323 0.300 1 90 15 15 LYS CD C 29.333 0.300 1 91 15 15 LYS CE C 41.918 0.300 1 92 15 15 LYS CG C 25.112 0.300 1 93 15 15 LYS N N 123.451 0.300 1 94 16 16 VAL H H 8.606 0.030 1 95 16 16 VAL HA H 4.898 0.030 1 96 16 16 VAL HB H 1.634 0.030 1 97 16 16 VAL HG1 H 0.493 0.030 1 98 16 16 VAL HG2 H 0.769 0.030 1 99 16 16 VAL C C 173.646 0.300 1 100 16 16 VAL CA C 60.266 0.300 1 101 16 16 VAL CB C 34.615 0.300 1 102 16 16 VAL CG1 C 23.044 0.300 2 103 16 16 VAL CG2 C 22.407 0.300 2 104 16 16 VAL N N 122.610 0.300 1 105 17 17 GLU H H 8.833 0.030 1 106 17 17 GLU HA H 5.545 0.030 1 107 17 17 GLU HB2 H 1.757 0.030 2 108 17 17 GLU HB3 H 1.801 0.030 2 109 17 17 GLU HG2 H 2.107 0.030 2 110 17 17 GLU HG3 H 1.977 0.030 2 111 17 17 GLU C C 173.111 0.300 1 112 17 17 GLU CA C 53.008 0.300 1 113 17 17 GLU CB C 33.258 0.300 1 114 17 17 GLU CG C 36.839 0.300 1 115 17 17 GLU N N 128.223 0.300 1 116 18 18 PHE H H 8.894 0.030 1 117 18 18 PHE HA H 5.736 0.030 1 118 18 18 PHE HB2 H 2.681 0.030 2 119 18 18 PHE HB3 H 2.968 0.030 2 120 18 18 PHE HD1 H 6.939 0.030 1 121 18 18 PHE HD2 H 6.939 0.030 1 122 18 18 PHE HE1 H 5.918 0.030 1 123 18 18 PHE HE2 H 5.918 0.030 1 124 18 18 PHE HZ H 5.710 0.030 1 125 18 18 PHE C C 176.148 0.300 1 126 18 18 PHE CA C 56.098 0.300 1 127 18 18 PHE CB C 42.553 0.300 1 128 18 18 PHE CD1 C 130.679 0.300 1 129 18 18 PHE CD2 C 130.679 0.300 1 130 18 18 PHE CE1 C 130.674 0.300 1 131 18 18 PHE CE2 C 130.674 0.300 1 132 18 18 PHE CZ C 128.590 0.300 1 133 18 18 PHE N N 122.563 0.300 1 134 19 19 GLY H H 9.222 0.030 1 135 19 19 GLY HA2 H 5.105 0.030 2 136 19 19 GLY HA3 H 3.994 0.030 2 137 19 19 GLY C C 176.631 0.300 1 138 19 19 GLY CA C 44.732 0.300 1 139 19 19 GLY N N 107.438 0.300 1 140 20 20 GLY H H 9.296 0.030 1 141 20 20 GLY HA2 H 4.037 0.030 2 142 20 20 GLY HA3 H 4.621 0.030 2 143 20 20 GLY C C 173.357 0.300 1 144 20 20 GLY CA C 46.414 0.300 1 145 20 20 GLY N N 110.942 0.300 1 146 21 21 GLY H H 9.302 0.030 1 147 21 21 GLY HA2 H 3.494 0.030 2 148 21 21 GLY HA3 H 4.684 0.030 2 149 21 21 GLY C C 177.587 0.300 1 150 21 21 GLY CA C 44.515 0.300 1 151 21 21 GLY N N 109.200 0.300 1 152 22 22 ALA H H 7.918 0.030 1 153 22 22 ALA HA H 4.177 0.030 1 154 22 22 ALA HB H 1.819 0.030 1 155 22 22 ALA C C 178.277 0.300 1 156 22 22 ALA CA C 54.890 0.300 1 157 22 22 ALA CB C 17.512 0.300 1 158 22 22 ALA N N 125.541 0.300 1 159 23 23 GLU H H 11.034 0.030 1 160 23 23 GLU HA H 4.022 0.030 1 161 23 23 GLU HB2 H 2.248 0.030 2 162 23 23 GLU HB3 H 1.547 0.030 2 163 23 23 GLU HG2 H 2.047 0.030 2 164 23 23 GLU HG3 H 2.345 0.030 2 165 23 23 GLU C C 178.451 0.300 1 166 23 23 GLU CA C 58.920 0.300 1 167 23 23 GLU CB C 26.848 0.300 1 168 23 23 GLU CG C 34.507 0.300 1 169 23 23 GLU N N 117.424 0.300 1 170 24 24 LEU H H 7.687 0.030 1 171 24 24 LEU HA H 4.016 0.030 1 172 24 24 LEU HB2 H 1.818 0.030 2 173 24 24 LEU HB3 H 1.582 0.030 2 174 24 24 LEU HD1 H 0.977 0.030 1 175 24 24 LEU HD2 H 0.888 0.030 1 176 24 24 LEU HG H 1.653 0.030 1 177 24 24 LEU C C 178.041 0.300 1 178 24 24 LEU CA C 56.823 0.300 1 179 24 24 LEU CB C 40.327 0.300 1 180 24 24 LEU CD1 C 24.919 0.300 2 181 24 24 LEU CD2 C 22.197 0.300 2 182 24 24 LEU CG C 27.423 0.300 1 183 24 24 LEU N N 123.647 0.300 1 184 25 25 LEU H H 7.623 0.030 1 185 25 25 LEU HA H 3.938 0.030 1 186 25 25 LEU HB2 H 1.219 0.030 2 187 25 25 LEU HB3 H 0.858 0.030 2 188 25 25 LEU HD1 H 0.768 0.030 1 189 25 25 LEU HD2 H 0.672 0.030 1 190 25 25 LEU HG H 1.571 0.030 1 191 25 25 LEU C C 174.546 0.300 1 192 25 25 LEU CA C 54.858 0.300 1 193 25 25 LEU CB C 39.809 0.300 1 194 25 25 LEU CD1 C 25.733 0.300 2 195 25 25 LEU CD2 C 22.546 0.300 2 196 25 25 LEU CG C 27.174 0.300 1 197 25 25 LEU N N 117.797 0.300 1 198 26 26 PHE H H 7.189 0.030 1 199 26 26 PHE HA H 4.353 0.030 1 200 26 26 PHE HB2 H 3.109 0.030 2 201 26 26 PHE HB3 H 2.552 0.030 2 202 26 26 PHE HD1 H 6.445 0.030 1 203 26 26 PHE HD2 H 6.445 0.030 1 204 26 26 PHE HE1 H 5.853 0.030 1 205 26 26 PHE HE2 H 5.853 0.030 1 206 26 26 PHE HZ H 5.093 0.030 1 207 26 26 PHE C C 176.907 0.300 1 208 26 26 PHE CA C 56.247 0.300 1 209 26 26 PHE CB C 38.995 0.300 1 210 26 26 PHE CD1 C 132.087 0.300 1 211 26 26 PHE CD2 C 132.087 0.300 1 212 26 26 PHE CE1 C 129.983 0.300 1 213 26 26 PHE CE2 C 129.983 0.300 1 214 26 26 PHE CZ C 128.245 0.300 1 215 26 26 PHE N N 118.324 0.300 1 216 27 27 ASP H H 9.013 0.030 1 217 27 27 ASP HA H 4.444 0.030 1 218 27 27 ASP HB2 H 3.201 0.030 2 219 27 27 ASP HB3 H 2.602 0.030 2 220 27 27 ASP C C 175.328 0.300 1 221 27 27 ASP CA C 55.384 0.300 1 222 27 27 ASP CB C 40.455 0.300 1 223 27 27 ASP N N 121.159 0.300 1 224 28 28 GLY H H 7.816 0.030 1 225 28 28 GLY HA2 H 4.199 0.030 2 226 28 28 GLY HA3 H 3.082 0.030 2 227 28 28 GLY C C 173.486 0.300 1 228 28 28 GLY CA C 45.680 0.300 1 229 28 28 GLY N N 102.758 0.300 1 230 29 29 VAL H H 7.476 0.030 1 231 29 29 VAL HA H 3.945 0.030 1 232 29 29 VAL HB H 2.279 0.030 1 233 29 29 VAL HG1 H 0.607 0.030 1 234 29 29 VAL HG2 H 1.037 0.030 1 235 29 29 VAL C C 176.414 0.300 1 236 29 29 VAL CA C 63.033 0.300 1 237 29 29 VAL CB C 31.613 0.300 1 238 29 29 VAL CG1 C 21.302 0.300 2 239 29 29 VAL CG2 C 21.108 0.300 2 240 29 29 VAL N N 122.285 0.300 1 241 30 30 LYS H H 8.481 0.030 1 242 30 30 LYS HA H 4.458 0.030 1 243 30 30 LYS HB2 H 2.202 0.030 2 244 30 30 LYS HB3 H 1.843 0.030 2 245 30 30 LYS HD2 H 1.837 0.030 2 246 30 30 LYS HD3 H 1.911 0.030 2 247 30 30 LYS HE2 H 3.070 0.030 2 248 30 30 LYS HE3 H 3.092 0.030 2 249 30 30 LYS HG2 H 1.548 0.030 2 250 30 30 LYS HG3 H 1.672 0.030 2 251 30 30 LYS C C 176.501 0.300 1 252 30 30 LYS CA C 60.195 0.300 1 253 30 30 LYS CB C 34.299 0.300 1 254 30 30 LYS CD C 29.640 0.300 1 255 30 30 LYS CE C 42.107 0.300 1 256 30 30 LYS CG C 26.541 0.300 1 257 30 30 LYS N N 127.267 0.300 1 258 31 31 LYS H H 7.639 0.030 1 259 31 31 LYS HA H 4.877 0.030 1 260 31 31 LYS HB2 H 1.648 0.030 2 261 31 31 LYS HB3 H 1.756 0.030 2 262 31 31 LYS HD2 H 1.620 0.030 2 263 31 31 LYS HD3 H 1.747 0.030 2 264 31 31 LYS HE2 H 2.910 0.030 1 265 31 31 LYS HE3 H 2.910 0.030 1 266 31 31 LYS HG2 H 1.214 0.030 2 267 31 31 LYS HG3 H 1.329 0.030 2 268 31 31 LYS C C 175.002 0.300 1 269 31 31 LYS CA C 56.682 0.300 1 270 31 31 LYS CB C 34.807 0.300 1 271 31 31 LYS CD C 28.916 0.300 1 272 31 31 LYS CE C 42.000 0.300 1 273 31 31 LYS CG C 25.518 0.300 1 274 31 31 LYS N N 116.078 0.300 1 275 32 32 HIS H H 9.081 0.030 1 276 32 32 HIS HA H 4.543 0.030 1 277 32 32 HIS HB2 H 2.869 0.030 1 278 32 32 HIS HB3 H 2.869 0.030 1 279 32 32 HIS HD2 H 6.836 0.030 1 280 32 32 HIS HE1 H 8.145 0.030 1 281 32 32 HIS C C 174.325 0.300 1 282 32 32 HIS CA C 55.137 0.300 1 283 32 32 HIS CB C 33.834 0.300 1 284 32 32 HIS CD2 C 118.548 0.300 1 285 32 32 HIS CE1 C 137.593 0.300 1 286 32 32 HIS N N 122.188 0.300 1 287 33 33 GLN H H 8.987 0.030 1 288 33 33 GLN HA H 4.712 0.030 1 289 33 33 GLN HB2 H 2.027 0.030 2 290 33 33 GLN HB3 H 1.962 0.030 2 291 33 33 GLN HE21 H 7.388 0.030 2 292 33 33 GLN HE22 H 6.788 0.030 2 293 33 33 GLN HG2 H 2.193 0.030 1 294 33 33 GLN HG3 H 2.193 0.030 1 295 33 33 GLN C C 174.972 0.300 1 296 33 33 GLN CA C 55.754 0.300 1 297 33 33 GLN CB C 29.187 0.300 1 298 33 33 GLN CG C 34.268 0.300 1 299 33 33 GLN N N 125.260 0.300 1 300 33 33 GLN NE2 N 111.339 0.300 1 301 34 34 VAL H H 8.771 0.030 1 302 34 34 VAL HA H 4.156 0.030 1 303 34 34 VAL HB H 1.661 0.030 1 304 34 34 VAL HG1 H 0.065 0.030 1 305 34 34 VAL HG2 H 0.628 0.030 1 306 34 34 VAL C C 172.951 0.300 1 307 34 34 VAL CA C 61.388 0.300 1 308 34 34 VAL CB C 34.081 0.300 1 309 34 34 VAL CG1 C 20.703 0.300 2 310 34 34 VAL CG2 C 20.551 0.300 2 311 34 34 VAL N N 126.254 0.300 1 312 35 35 ALA H H 8.119 0.030 1 313 35 35 ALA HA H 4.768 0.030 1 314 35 35 ALA HB H 1.181 0.030 1 315 35 35 ALA C C 175.914 0.300 1 316 35 35 ALA CA C 50.037 0.300 1 317 35 35 ALA CB C 18.782 0.300 1 318 35 35 ALA N N 130.355 0.300 1 319 36 36 LEU H H 8.537 0.030 1 320 36 36 LEU HA H 3.879 0.030 1 321 36 36 LEU HB2 H 0.831 0.030 2 322 36 36 LEU HB3 H -0.479 0.030 2 323 36 36 LEU HD1 H -0.385 0.030 1 324 36 36 LEU HD2 H -1.249 0.030 1 325 36 36 LEU HG H 0.592 0.030 1 326 36 36 LEU C C 174.818 0.300 1 327 36 36 LEU CA C 51.178 0.300 1 328 36 36 LEU CB C 39.416 0.300 1 329 36 36 LEU CD1 C 24.636 0.300 2 330 36 36 LEU CD2 C 19.954 0.300 2 331 36 36 LEU CG C 24.964 0.300 1 332 36 36 LEU N N 126.291 0.300 1 333 37 37 PRO HA H 4.473 0.030 1 334 37 37 PRO HB2 H 2.243 0.030 2 335 37 37 PRO HB3 H 2.405 0.030 2 336 37 37 PRO HD2 H 3.539 0.030 2 337 37 37 PRO HD3 H 3.825 0.030 2 338 37 37 PRO HG2 H 2.343 0.030 2 339 37 37 PRO HG3 H 2.411 0.030 2 340 37 37 PRO C C 176.959 0.300 1 341 37 37 PRO CA C 62.233 0.300 1 342 37 37 PRO CB C 32.542 0.300 1 343 37 37 PRO CD C 50.307 0.300 1 344 37 37 PRO CG C 27.308 0.300 1 345 38 38 GLY H H 8.565 0.030 1 346 38 38 GLY HA2 H 3.606 0.030 2 347 38 38 GLY HA3 H 4.140 0.030 2 348 38 38 GLY C C 173.889 0.300 1 349 38 38 GLY CA C 46.172 0.300 1 350 38 38 GLY N N 107.318 0.300 1 351 39 39 GLN H H 8.324 0.030 1 352 39 39 GLN HA H 4.712 0.030 1 353 39 39 GLN HB2 H 2.283 0.030 2 354 39 39 GLN HB3 H 1.871 0.030 2 355 39 39 GLN HE21 H 6.242 0.030 2 356 39 39 GLN HE22 H 5.157 0.030 2 357 39 39 GLN HG2 H 2.245 0.030 1 358 39 39 GLN HG3 H 2.245 0.030 1 359 39 39 GLN C C 174.726 0.300 1 360 39 39 GLN CA C 54.520 0.300 1 361 39 39 GLN CB C 30.194 0.300 1 362 39 39 GLN CG C 31.051 0.300 1 363 39 39 GLN N N 119.739 0.300 1 364 39 39 GLN NE2 N 108.588 0.300 1 365 40 40 GLU H H 8.576 0.030 1 366 40 40 GLU HA H 4.059 0.030 1 367 40 40 GLU HB2 H 1.953 0.030 2 368 40 40 GLU HB3 H 2.011 0.030 2 369 40 40 GLU HG2 H 2.295 0.030 2 370 40 40 GLU HG3 H 2.258 0.030 2 371 40 40 GLU C C 177.057 0.300 1 372 40 40 GLU CA C 59.167 0.300 1 373 40 40 GLU CB C 30.014 0.300 1 374 40 40 GLU CG C 36.654 0.300 1 375 40 40 GLU N N 119.401 0.300 1 376 41 41 GLU H H 7.795 0.030 1 377 41 41 GLU HA H 4.562 0.030 1 378 41 41 GLU HB2 H 1.629 0.030 2 379 41 41 GLU HB3 H 1.819 0.030 2 380 41 41 GLU HG2 H 2.162 0.030 1 381 41 41 GLU HG3 H 2.162 0.030 1 382 41 41 GLU C C 174.091 0.300 1 383 41 41 GLU CA C 53.880 0.300 1 384 41 41 GLU CB C 29.041 0.300 1 385 41 41 GLU CG C 35.885 0.300 1 386 41 41 GLU N N 118.246 0.300 1 387 42 42 PRO HA H 4.334 0.030 1 388 42 42 PRO HB2 H 2.268 0.030 2 389 42 42 PRO HB3 H 1.665 0.030 2 390 42 42 PRO HD2 H 3.529 0.030 2 391 42 42 PRO HD3 H 3.853 0.030 2 392 42 42 PRO HG2 H 1.954 0.030 2 393 42 42 PRO HG3 H 2.042 0.030 2 394 42 42 PRO C C 177.900 0.300 1 395 42 42 PRO CA C 62.809 0.300 1 396 42 42 PRO CB C 32.076 0.300 1 397 42 42 PRO CD C 50.389 0.300 1 398 42 42 PRO CG C 27.703 0.300 1 399 43 43 TRP H H 8.648 0.030 1 400 43 43 TRP HA H 4.402 0.030 1 401 43 43 TRP HB2 H 2.996 0.030 1 402 43 43 TRP HB3 H 2.996 0.030 1 403 43 43 TRP HD1 H 7.311 0.030 1 404 43 43 TRP HE1 H 10.246 0.030 1 405 43 43 TRP HE3 H 7.347 0.030 1 406 43 43 TRP HH2 H 7.308 0.030 1 407 43 43 TRP HZ2 H 7.409 0.030 1 408 43 43 TRP HZ3 H 7.035 0.030 1 409 43 43 TRP C C 175.894 0.300 1 410 43 43 TRP CA C 58.674 0.300 1 411 43 43 TRP CB C 29.969 0.300 1 412 43 43 TRP CD1 C 126.855 0.300 1 413 43 43 TRP CE3 C 119.155 0.300 1 414 43 43 TRP CH2 C 124.832 0.300 1 415 43 43 TRP CZ2 C 115.406 0.300 1 416 43 43 TRP CZ3 C 121.508 0.300 1 417 43 43 TRP N N 123.614 0.300 1 418 43 43 TRP NE1 N 129.187 0.300 1 419 44 44 ASP H H 8.140 0.030 1 420 44 44 ASP HA H 5.766 0.030 1 421 44 44 ASP HB2 H 3.283 0.030 2 422 44 44 ASP HB3 H 2.544 0.030 2 423 44 44 ASP C C 176.603 0.300 1 424 44 44 ASP CA C 51.395 0.300 1 425 44 44 ASP CB C 43.200 0.300 1 426 44 44 ASP N N 123.917 0.300 1 427 45 45 ILE H H 7.935 0.030 1 428 45 45 ILE HA H 4.157 0.030 1 429 45 45 ILE HB H 2.836 0.030 1 430 45 45 ILE HD1 H 1.026 0.030 1 431 45 45 ILE HG12 H 2.160 0.030 2 432 45 45 ILE HG13 H 1.993 0.030 2 433 45 45 ILE HG2 H 1.363 0.030 1 434 45 45 ILE C C 177.508 0.300 1 435 45 45 ILE CA C 63.792 0.300 1 436 45 45 ILE CB C 34.844 0.300 1 437 45 45 ILE CD1 C 10.580 0.300 1 438 45 45 ILE CG1 C 29.056 0.300 1 439 45 45 ILE CG2 C 17.901 0.300 1 440 45 45 ILE N N 119.668 0.300 1 441 46 46 ARG H H 8.754 0.030 1 442 46 46 ARG HA H 4.019 0.030 1 443 46 46 ARG HB2 H 2.193 0.030 2 444 46 46 ARG HB3 H 2.090 0.030 2 445 46 46 ARG HD2 H 3.346 0.030 2 446 46 46 ARG HD3 H 3.473 0.030 2 447 46 46 ARG HE H 7.664 0.030 1 448 46 46 ARG HG2 H 1.623 0.030 2 449 46 46 ARG HG3 H 1.744 0.030 2 450 46 46 ARG C C 179.027 0.300 1 451 46 46 ARG CA C 61.255 0.300 1 452 46 46 ARG CB C 30.908 0.300 1 453 46 46 ARG CD C 43.069 0.300 1 454 46 46 ARG CG C 28.922 0.300 1 455 46 46 ARG N N 121.189 0.300 1 456 46 46 ARG NE N 83.500 0.300 1 457 47 47 ASN H H 9.113 0.030 1 458 47 47 ASN HA H 4.810 0.030 1 459 47 47 ASN HB2 H 2.889 0.030 2 460 47 47 ASN HB3 H 3.064 0.030 2 461 47 47 ASN HD21 H 6.973 0.030 2 462 47 47 ASN HD22 H 8.012 0.030 2 463 47 47 ASN C C 179.462 0.300 1 464 47 47 ASN CA C 56.453 0.300 1 465 47 47 ASN CB C 38.894 0.300 1 466 47 47 ASN N N 117.613 0.300 1 467 47 47 ASN ND2 N 113.595 0.300 1 468 48 48 LEU H H 9.398 0.030 1 469 48 48 LEU HA H 4.630 0.030 1 470 48 48 LEU HB2 H 2.715 0.030 2 471 48 48 LEU HB3 H 1.832 0.030 2 472 48 48 LEU HD1 H 0.857 0.030 1 473 48 48 LEU HD2 H 1.102 0.030 1 474 48 48 LEU HG H 1.897 0.030 1 475 48 48 LEU C C 178.837 0.300 1 476 48 48 LEU CA C 58.838 0.300 1 477 48 48 LEU CB C 41.610 0.300 1 478 48 48 LEU CD1 C 23.000 0.300 2 479 48 48 LEU CD2 C 26.677 0.300 2 480 48 48 LEU CG C 27.423 0.300 1 481 48 48 LEU N N 126.482 0.300 1 482 49 49 LEU H H 8.988 0.030 1 483 49 49 LEU HA H 4.150 0.030 1 484 49 49 LEU HB2 H 2.321 0.030 2 485 49 49 LEU HB3 H 1.383 0.030 2 486 49 49 LEU HD1 H 0.829 0.030 1 487 49 49 LEU HD2 H 1.043 0.030 1 488 49 49 LEU HG H 2.252 0.030 1 489 49 49 LEU C C 179.042 0.300 1 490 49 49 LEU CA C 59.053 0.300 1 491 49 49 LEU CB C 41.147 0.300 1 492 49 49 LEU CD1 C 23.494 0.300 2 493 49 49 LEU CD2 C 26.787 0.300 2 494 49 49 LEU CG C 26.925 0.300 1 495 49 49 LEU N N 118.824 0.300 1 496 50 50 VAL H H 7.224 0.030 1 497 50 50 VAL HA H 3.660 0.030 1 498 50 50 VAL HB H 2.573 0.030 1 499 50 50 VAL HG1 H 1.115 0.030 1 500 50 50 VAL HG2 H 1.245 0.030 1 501 50 50 VAL C C 177.718 0.300 1 502 50 50 VAL CA C 67.118 0.300 1 503 50 50 VAL CB C 31.983 0.300 1 504 50 50 VAL CG1 C 21.684 0.300 2 505 50 50 VAL CG2 C 22.505 0.300 2 506 50 50 VAL N N 118.784 0.300 1 507 51 51 TRP H H 8.379 0.030 1 508 51 51 TRP HA H 4.093 0.030 1 509 51 51 TRP HB2 H 3.664 0.030 2 510 51 51 TRP HB3 H 3.887 0.030 2 511 51 51 TRP HD1 H 7.414 0.030 1 512 51 51 TRP HE1 H 10.241 0.030 1 513 51 51 TRP HE3 H 7.317 0.030 1 514 51 51 TRP HH2 H 7.193 0.030 1 515 51 51 TRP HZ2 H 7.442 0.030 1 516 51 51 TRP HZ3 H 6.796 0.030 1 517 51 51 TRP C C 180.414 0.300 1 518 51 51 TRP CA C 63.280 0.300 1 519 51 51 TRP CB C 29.422 0.300 1 520 51 51 TRP CD1 C 126.722 0.300 1 521 51 51 TRP CE3 C 119.579 0.300 1 522 51 51 TRP CH2 C 124.587 0.300 1 523 51 51 TRP CZ2 C 114.808 0.300 1 524 51 51 TRP CZ3 C 121.216 0.300 1 525 51 51 TRP N N 121.777 0.300 1 526 51 51 TRP NE1 N 129.731 0.300 1 527 52 52 ILE H H 9.701 0.030 1 528 52 52 ILE HA H 3.554 0.030 1 529 52 52 ILE HB H 2.315 0.030 1 530 52 52 ILE HD1 H 0.997 0.030 1 531 52 52 ILE HG12 H 1.157 0.030 2 532 52 52 ILE HG13 H 2.538 0.030 2 533 52 52 ILE HG2 H 0.949 0.030 1 534 52 52 ILE C C 178.464 0.300 1 535 52 52 ILE CA C 66.636 0.300 1 536 52 52 ILE CB C 38.534 0.300 1 537 52 52 ILE CD1 C 15.129 0.300 1 538 52 52 ILE CG1 C 29.836 0.300 1 539 52 52 ILE CG2 C 18.318 0.300 1 540 52 52 ILE N N 120.649 0.300 1 541 53 53 LYS H H 8.660 0.030 1 542 53 53 LYS HA H 3.979 0.030 1 543 53 53 LYS HB2 H 2.186 0.030 2 544 53 53 LYS HB3 H 1.995 0.030 2 545 53 53 LYS HD2 H 1.712 0.030 2 546 53 53 LYS HD3 H 1.778 0.030 2 547 53 53 LYS HE2 H 2.953 0.030 1 548 53 53 LYS HE3 H 2.953 0.030 1 549 53 53 LYS HG2 H 1.544 0.030 2 550 53 53 LYS HG3 H 1.479 0.030 2 551 53 53 LYS C C 176.823 0.300 1 552 53 53 LYS CA C 59.822 0.300 1 553 53 53 LYS CB C 32.215 0.300 1 554 53 53 LYS CD C 29.988 0.300 1 555 53 53 LYS CE C 41.918 0.300 1 556 53 53 LYS CG C 24.931 0.300 1 557 53 53 LYS N N 122.603 0.300 1 558 54 54 LYS H H 7.816 0.030 1 559 54 54 LYS HA H 4.107 0.030 1 560 54 54 LYS HB2 H 1.688 0.030 1 561 54 54 LYS HB3 H 1.688 0.030 1 562 54 54 LYS HD2 H 1.659 0.030 1 563 54 54 LYS HD3 H 1.659 0.030 1 564 54 54 LYS HE2 H 2.953 0.030 1 565 54 54 LYS HE3 H 2.953 0.030 1 566 54 54 LYS HG2 H 1.350 0.030 2 567 54 54 LYS HG3 H 1.535 0.030 2 568 54 54 LYS C C 177.835 0.300 1 569 54 54 LYS CA C 58.303 0.300 1 570 54 54 LYS CB C 33.834 0.300 1 571 54 54 LYS CD C 29.169 0.300 1 572 54 54 LYS CE C 42.164 0.300 1 573 54 54 LYS CG C 25.462 0.300 1 574 54 54 LYS N N 114.990 0.300 1 575 55 55 ASN H H 7.880 0.030 1 576 55 55 ASN HA H 4.529 0.030 1 577 55 55 ASN HB2 H 1.787 0.030 2 578 55 55 ASN HB3 H 0.886 0.030 2 579 55 55 ASN HD21 H 6.874 0.030 2 580 55 55 ASN HD22 H 5.534 0.030 2 581 55 55 ASN C C 174.666 0.300 1 582 55 55 ASN CA C 55.055 0.300 1 583 55 55 ASN CB C 40.713 0.300 1 584 55 55 ASN N N 112.461 0.300 1 585 55 55 ASN ND2 N 115.801 0.300 1 586 56 56 LEU H H 8.129 0.030 1 587 56 56 LEU HA H 4.698 0.030 1 588 56 56 LEU HB2 H 1.593 0.030 2 589 56 56 LEU HB3 H 1.703 0.030 2 590 56 56 LEU HD1 H 0.766 0.030 1 591 56 56 LEU HD2 H 0.817 0.030 1 592 56 56 LEU HG H 1.618 0.030 1 593 56 56 LEU C C 176.239 0.300 1 594 56 56 LEU CA C 55.160 0.300 1 595 56 56 LEU CB C 45.760 0.300 1 596 56 56 LEU CD1 C 24.607 0.300 2 597 56 56 LEU CD2 C 22.918 0.300 2 598 56 56 LEU CG C 26.925 0.300 1 599 56 56 LEU N N 117.350 0.300 1 600 57 57 LEU H H 7.316 0.030 1 601 57 57 LEU HA H 3.509 0.030 1 602 57 57 LEU HB2 H 1.953 0.030 2 603 57 57 LEU HB3 H 1.097 0.030 2 604 57 57 LEU HD1 H 0.323 0.030 1 605 57 57 LEU HD2 H 0.699 0.030 1 606 57 57 LEU HG H 1.363 0.030 1 607 57 57 LEU C C 176.202 0.300 1 608 57 57 LEU CA C 56.470 0.300 1 609 57 57 LEU CB C 43.161 0.300 1 610 57 57 LEU CD1 C 24.686 0.300 2 611 57 57 LEU CD2 C 26.945 0.300 2 612 57 57 LEU CG C 26.948 0.300 1 613 57 57 LEU N N 119.735 0.300 1 614 58 58 LYS H H 8.022 0.030 1 615 58 58 LYS HA H 4.374 0.030 1 616 58 58 LYS HB2 H 1.720 0.030 2 617 58 58 LYS HB3 H 1.793 0.030 2 618 58 58 LYS HD2 H 1.539 0.030 1 619 58 58 LYS HD3 H 1.539 0.030 1 620 58 58 LYS HE2 H 2.967 0.030 1 621 58 58 LYS HE3 H 2.967 0.030 1 622 58 58 LYS HG2 H 1.381 0.030 2 623 58 58 LYS HG3 H 1.412 0.030 2 624 58 58 LYS C C 176.402 0.300 1 625 58 58 LYS CA C 55.301 0.300 1 626 58 58 LYS CB C 32.950 0.300 1 627 58 58 LYS CD C 28.170 0.300 1 628 58 58 LYS CE C 42.000 0.300 1 629 58 58 LYS CG C 23.811 0.300 1 630 58 58 LYS N N 125.047 0.300 1 631 59 59 GLU H H 6.919 0.030 1 632 59 59 GLU HA H 4.461 0.030 1 633 59 59 GLU HB2 H 2.177 0.030 2 634 59 59 GLU HB3 H 1.562 0.030 2 635 59 59 GLU HG2 H 2.268 0.030 2 636 59 59 GLU HG3 H 2.175 0.030 2 637 59 59 GLU C C 173.792 0.300 1 638 59 59 GLU CA C 54.767 0.300 1 639 59 59 GLU CB C 33.132 0.300 1 640 59 59 GLU CG C 36.078 0.300 1 641 59 59 GLU N N 117.598 0.300 1 642 60 60 ARG H H 8.708 0.030 1 643 60 60 ARG HA H 4.271 0.030 1 644 60 60 ARG HB2 H 1.832 0.030 1 645 60 60 ARG HB3 H 1.832 0.030 1 646 60 60 ARG HD2 H 3.231 0.030 1 647 60 60 ARG HD3 H 3.231 0.030 1 648 60 60 ARG HE H 7.487 0.030 1 649 60 60 ARG HG2 H 1.707 0.030 1 650 60 60 ARG HG3 H 1.707 0.030 1 651 60 60 ARG C C 174.600 0.300 1 652 60 60 ARG CA C 55.175 0.300 1 653 60 60 ARG CB C 29.287 0.300 1 654 60 60 ARG CD C 43.530 0.300 1 655 60 60 ARG CG C 27.237 0.300 1 656 60 60 ARG N N 116.108 0.300 1 657 60 60 ARG NE N 84.882 0.300 1 658 61 61 PRO HA H 4.207 0.030 1 659 61 61 PRO HB2 H 2.079 0.030 2 660 61 61 PRO HB3 H 2.131 0.030 2 661 61 61 PRO HD2 H 3.631 0.030 2 662 61 61 PRO HD3 H 3.816 0.030 2 663 61 61 PRO HG2 H 2.135 0.030 2 664 61 61 PRO HG3 H 2.048 0.030 2 665 61 61 PRO C C 178.222 0.300 1 666 61 61 PRO CA C 65.354 0.300 1 667 61 61 PRO CB C 31.390 0.300 1 668 61 61 PRO CD C 50.575 0.300 1 669 61 61 PRO CG C 27.672 0.300 1 670 62 62 GLU H H 9.817 0.030 1 671 62 62 GLU HA H 4.627 0.030 1 672 62 62 GLU HB2 H 2.091 0.030 2 673 62 62 GLU HB3 H 2.157 0.030 2 674 62 62 GLU HG2 H 2.151 0.030 2 675 62 62 GLU HG3 H 2.434 0.030 2 676 62 62 GLU C C 177.250 0.300 1 677 62 62 GLU CA C 58.322 0.300 1 678 62 62 GLU CB C 27.672 0.300 1 679 62 62 GLU CG C 35.728 0.300 1 680 62 62 GLU N N 118.300 0.300 1 681 63 63 LEU H H 7.901 0.030 1 682 63 63 LEU HA H 4.276 0.030 1 683 63 63 LEU HB2 H 1.905 0.030 2 684 63 63 LEU HB3 H 1.606 0.030 2 685 63 63 LEU HD1 H 0.841 0.030 1 686 63 63 LEU HD2 H 0.925 0.030 1 687 63 63 LEU HG H 1.238 0.030 1 688 63 63 LEU C C 175.408 0.300 1 689 63 63 LEU CA C 55.900 0.300 1 690 63 63 LEU CB C 41.480 0.300 1 691 63 63 LEU CD1 C 22.197 0.300 2 692 63 63 LEU CD2 C 25.635 0.300 2 693 63 63 LEU CG C 27.921 0.300 1 694 63 63 LEU N N 119.734 0.300 1 695 64 64 PHE H H 8.256 0.030 1 696 64 64 PHE HA H 4.810 0.030 1 697 64 64 PHE HB2 H 2.888 0.030 2 698 64 64 PHE HB3 H 2.744 0.030 2 699 64 64 PHE HD1 H 7.082 0.030 1 700 64 64 PHE HD2 H 7.082 0.030 1 701 64 64 PHE HE1 H 6.882 0.030 1 702 64 64 PHE HE2 H 6.882 0.030 1 703 64 64 PHE C C 172.933 0.300 1 704 64 64 PHE CA C 58.756 0.300 1 705 64 64 PHE CB C 44.650 0.300 1 706 64 64 PHE CD1 C 131.519 0.300 1 707 64 64 PHE CD2 C 131.519 0.300 1 708 64 64 PHE CE1 C 130.087 0.300 1 709 64 64 PHE CE2 C 130.087 0.300 1 710 64 64 PHE N N 118.577 0.300 1 711 65 65 ILE H H 8.524 0.030 1 712 65 65 ILE HA H 4.458 0.030 1 713 65 65 ILE HB H 1.646 0.030 1 714 65 65 ILE HD1 H 0.780 0.030 1 715 65 65 ILE HG12 H 1.221 0.030 2 716 65 65 ILE HG13 H 1.377 0.030 2 717 65 65 ILE HG2 H 0.846 0.030 1 718 65 65 ILE C C 175.889 0.300 1 719 65 65 ILE CA C 58.633 0.300 1 720 65 65 ILE CB C 41.031 0.300 1 721 65 65 ILE CD1 C 13.130 0.300 1 722 65 65 ILE CG1 C 27.672 0.300 1 723 65 65 ILE CG2 C 18.052 0.300 1 724 65 65 ILE N N 118.499 0.300 1 725 66 66 GLN H H 8.335 0.030 1 726 66 66 GLN HA H 4.437 0.030 1 727 66 66 GLN HB2 H 1.757 0.030 2 728 66 66 GLN HB3 H 1.926 0.030 2 729 66 66 GLN HE21 H 7.601 0.030 2 730 66 66 GLN HE22 H 6.880 0.030 2 731 66 66 GLN HG2 H 2.235 0.030 1 732 66 66 GLN HG3 H 2.235 0.030 1 733 66 66 GLN C C 175.062 0.300 1 734 66 66 GLN CA C 55.342 0.300 1 735 66 66 GLN CB C 31.913 0.300 1 736 66 66 GLN CG C 34.186 0.300 1 737 66 66 GLN N N 126.491 0.300 1 738 66 66 GLN NE2 N 111.606 0.300 1 739 67 67 GLY H H 9.172 0.030 1 740 67 67 GLY HA2 H 4.012 0.030 2 741 67 67 GLY HA3 H 3.628 0.030 2 742 67 67 GLY C C 173.942 0.300 1 743 67 67 GLY CA C 47.103 0.300 1 744 67 67 GLY N N 118.892 0.300 1 745 68 68 ASP H H 8.704 0.030 1 746 68 68 ASP HA H 4.558 0.030 1 747 68 68 ASP HB2 H 2.801 0.030 2 748 68 68 ASP HB3 H 2.730 0.030 2 749 68 68 ASP C C 175.000 0.300 1 750 68 68 ASP CA C 53.746 0.300 1 751 68 68 ASP CB C 41.524 0.300 1 752 68 68 ASP N N 125.863 0.300 1 753 69 69 SER H H 7.714 0.030 1 754 69 69 SER HA H 4.965 0.030 1 755 69 69 SER HB2 H 3.816 0.030 2 756 69 69 SER HB3 H 4.019 0.030 2 757 69 69 SER C C 175.606 0.300 1 758 69 69 SER CA C 54.062 0.300 1 759 69 69 SER CB C 65.130 0.300 1 760 69 69 SER N N 112.070 0.300 1 761 70 70 VAL H H 8.194 0.030 1 762 70 70 VAL HA H 4.515 0.030 1 763 70 70 VAL HB H 1.945 0.030 1 764 70 70 VAL HG1 H 0.572 0.030 1 765 70 70 VAL HG2 H 0.809 0.030 1 766 70 70 VAL C C 176.694 0.300 1 767 70 70 VAL CA C 60.030 0.300 1 768 70 70 VAL CB C 33.364 0.300 1 769 70 70 VAL CG1 C 23.220 0.300 2 770 70 70 VAL CG2 C 18.595 0.300 2 771 70 70 VAL N N 111.183 0.300 1 772 71 71 ARG H H 7.775 0.030 1 773 71 71 ARG HA H 4.174 0.030 1 774 71 71 ARG HB2 H 1.496 0.030 1 775 71 71 ARG HB3 H 1.496 0.030 1 776 71 71 ARG HD2 H 3.000 0.030 2 777 71 71 ARG HD3 H 3.196 0.030 2 778 71 71 ARG HE H 7.084 0.030 1 779 71 71 ARG HG2 H 1.495 0.030 2 780 71 71 ARG HG3 H 1.542 0.030 2 781 71 71 ARG C C 172.806 0.300 1 782 71 71 ARG CA C 54.370 0.300 1 783 71 71 ARG CB C 29.452 0.300 1 784 71 71 ARG CD C 43.823 0.300 1 785 71 71 ARG CG C 25.954 0.300 1 786 71 71 ARG N N 122.662 0.300 1 787 71 71 ARG NE N 84.469 0.300 1 788 72 72 PRO HA H 4.413 0.030 1 789 72 72 PRO HB2 H 2.358 0.030 2 790 72 72 PRO HB3 H 1.849 0.030 2 791 72 72 PRO HD2 H 3.546 0.030 2 792 72 72 PRO HD3 H 3.836 0.030 2 793 72 72 PRO HG2 H 2.079 0.030 2 794 72 72 PRO HG3 H 2.164 0.030 2 795 72 72 PRO C C 177.358 0.300 1 796 72 72 PRO CA C 64.119 0.300 1 797 72 72 PRO CB C 31.556 0.300 1 798 72 72 PRO CD C 50.718 0.300 1 799 72 72 PRO CG C 28.069 0.300 1 800 73 73 GLY H H 8.878 0.030 1 801 73 73 GLY HA2 H 4.408 0.030 2 802 73 73 GLY HA3 H 3.551 0.030 2 803 73 73 GLY C C 174.522 0.300 1 804 73 73 GLY CA C 44.564 0.300 1 805 73 73 GLY N N 112.313 0.300 1 806 74 74 ILE H H 7.886 0.030 1 807 74 74 ILE HA H 4.824 0.030 1 808 74 74 ILE HB H 2.063 0.030 1 809 74 74 ILE HD1 H 1.053 0.030 1 810 74 74 ILE HG12 H 1.605 0.030 2 811 74 74 ILE HG13 H 1.235 0.030 2 812 74 74 ILE HG2 H 0.900 0.030 1 813 74 74 ILE C C 174.854 0.300 1 814 74 74 ILE CA C 60.113 0.300 1 815 74 74 ILE CB C 37.170 0.300 1 816 74 74 ILE CD1 C 12.143 0.300 1 817 74 74 ILE CG1 C 27.921 0.300 1 818 74 74 ILE CG2 C 17.381 0.300 1 819 74 74 ILE N N 122.487 0.300 1 820 75 75 LEU H H 9.201 0.030 1 821 75 75 LEU HA H 4.502 0.030 1 822 75 75 LEU HB2 H 1.535 0.030 2 823 75 75 LEU HB3 H 1.627 0.030 2 824 75 75 LEU HD1 H 0.883 0.030 1 825 75 75 LEU HD2 H 0.875 0.030 1 826 75 75 LEU HG H 1.654 0.030 1 827 75 75 LEU C C 175.431 0.300 1 828 75 75 LEU CA C 53.862 0.300 1 829 75 75 LEU CB C 43.044 0.300 1 830 75 75 LEU CD1 C 24.976 0.300 2 831 75 75 LEU CD2 C 23.165 0.300 2 832 75 75 LEU CG C 26.948 0.300 1 833 75 75 LEU N N 129.565 0.300 1 834 76 76 VAL H H 7.189 0.030 1 835 76 76 VAL HA H 4.399 0.030 1 836 76 76 VAL HB H -0.113 0.030 1 837 76 76 VAL HG1 H -0.235 0.030 1 838 76 76 VAL HG2 H -0.130 0.030 1 839 76 76 VAL C C 174.827 0.300 1 840 76 76 VAL CA C 60.788 0.300 1 841 76 76 VAL CB C 31.952 0.300 1 842 76 76 VAL CG1 C 20.111 0.300 2 843 76 76 VAL CG2 C 20.253 0.300 2 844 76 76 VAL N N 120.642 0.300 1 845 77 77 LEU H H 8.918 0.030 1 846 77 77 LEU HA H 5.063 0.030 1 847 77 77 LEU HB2 H 1.598 0.030 2 848 77 77 LEU HB3 H 0.924 0.030 2 849 77 77 LEU HD1 H 0.712 0.030 1 850 77 77 LEU HD2 H 0.670 0.030 1 851 77 77 LEU HG H 1.378 0.030 1 852 77 77 LEU C C 176.183 0.300 1 853 77 77 LEU CA C 53.100 0.300 1 854 77 77 LEU CB C 44.600 0.300 1 855 77 77 LEU CD1 C 25.212 0.300 2 856 77 77 LEU CD2 C 24.435 0.300 2 857 77 77 LEU CG C 28.182 0.300 1 858 77 77 LEU N N 127.524 0.300 1 859 78 78 ILE H H 9.323 0.030 1 860 78 78 ILE HA H 4.416 0.030 1 861 78 78 ILE HB H 1.361 0.030 1 862 78 78 ILE HD1 H 0.550 0.030 1 863 78 78 ILE HG12 H 1.260 0.030 2 864 78 78 ILE HG13 H 0.625 0.030 2 865 78 78 ILE HG2 H 0.311 0.030 1 866 78 78 ILE C C 176.113 0.300 1 867 78 78 ILE CA C 59.825 0.300 1 868 78 78 ILE CB C 38.872 0.300 1 869 78 78 ILE CD1 C 14.923 0.300 1 870 78 78 ILE CG1 C 27.423 0.300 1 871 78 78 ILE CG2 C 16.857 0.300 1 872 78 78 ILE N N 123.349 0.300 1 873 79 79 ASN H H 9.764 0.030 1 874 79 79 ASN HA H 4.290 0.030 1 875 79 79 ASN HB2 H 3.052 0.030 2 876 79 79 ASN HB3 H 2.757 0.030 2 877 79 79 ASN HD21 H 7.396 0.030 2 878 79 79 ASN HD22 H 7.471 0.030 2 879 79 79 ASN C C 175.060 0.300 1 880 79 79 ASN CA C 54.890 0.300 1 881 79 79 ASN CB C 37.330 0.300 1 882 79 79 ASN N N 128.280 0.300 1 883 79 79 ASN ND2 N 117.819 0.300 1 884 80 80 ASP H H 8.905 0.030 1 885 80 80 ASP HA H 3.987 0.030 1 886 80 80 ASP HB2 H 2.984 0.030 2 887 80 80 ASP HB3 H 2.869 0.030 2 888 80 80 ASP C C 173.926 0.300 1 889 80 80 ASP CA C 56.782 0.300 1 890 80 80 ASP CB C 40.116 0.300 1 891 80 80 ASP N N 108.491 0.300 1 892 81 81 ALA H H 7.956 0.030 1 893 81 81 ALA HA H 4.698 0.030 1 894 81 81 ALA HB H 1.379 0.030 1 895 81 81 ALA C C 176.186 0.300 1 896 81 81 ALA CA C 50.558 0.300 1 897 81 81 ALA CB C 21.168 0.300 1 898 81 81 ALA N N 123.716 0.300 1 899 82 82 ASP H H 8.581 0.030 1 900 82 82 ASP HA H 4.515 0.030 1 901 82 82 ASP HB2 H 2.855 0.030 2 902 82 82 ASP HB3 H 2.743 0.030 2 903 82 82 ASP C C 178.657 0.300 1 904 82 82 ASP CA C 55.384 0.300 1 905 82 82 ASP CB C 42.223 0.300 1 906 82 82 ASP N N 122.871 0.300 1 907 83 83 TRP H H 8.822 0.030 1 908 83 83 TRP HA H 4.368 0.030 1 909 83 83 TRP HB2 H 3.400 0.030 2 910 83 83 TRP HB3 H 2.871 0.030 2 911 83 83 TRP HD1 H 7.811 0.030 1 912 83 83 TRP HE1 H 10.510 0.030 1 913 83 83 TRP HE3 H 7.188 0.030 1 914 83 83 TRP HH2 H 7.392 0.030 1 915 83 83 TRP HZ2 H 7.521 0.030 1 916 83 83 TRP HZ3 H 6.908 0.030 1 917 83 83 TRP C C 177.843 0.300 1 918 83 83 TRP CA C 59.266 0.300 1 919 83 83 TRP CB C 28.077 0.300 1 920 83 83 TRP CD1 C 127.219 0.300 1 921 83 83 TRP CE3 C 118.859 0.300 1 922 83 83 TRP CH2 C 124.281 0.300 1 923 83 83 TRP CZ2 C 115.584 0.300 1 924 83 83 TRP CZ3 C 120.899 0.300 1 925 83 83 TRP N N 125.532 0.300 1 926 83 83 TRP NE1 N 131.065 0.300 1 927 84 84 GLU H H 9.511 0.030 1 928 84 84 GLU HA H 3.901 0.030 1 929 84 84 GLU HB2 H 2.039 0.030 1 930 84 84 GLU HB3 H 2.039 0.030 1 931 84 84 GLU HG2 H 2.477 0.030 2 932 84 84 GLU HG3 H 2.213 0.030 2 933 84 84 GLU C C 179.137 0.300 1 934 84 84 GLU CA C 59.417 0.300 1 935 84 84 GLU CB C 28.916 0.300 1 936 84 84 GLU CG C 36.371 0.300 1 937 84 84 GLU N N 126.539 0.300 1 938 85 85 LEU H H 8.169 0.030 1 939 85 85 LEU HA H 4.346 0.030 1 940 85 85 LEU HB2 H 1.977 0.030 2 941 85 85 LEU HB3 H 1.702 0.030 2 942 85 85 LEU HD1 H 0.943 0.030 1 943 85 85 LEU HD2 H 1.075 0.030 1 944 85 85 LEU HG H 1.785 0.030 1 945 85 85 LEU C C 178.237 0.300 1 946 85 85 LEU CA C 55.960 0.300 1 947 85 85 LEU CB C 41.937 0.300 1 948 85 85 LEU CD1 C 22.607 0.300 2 949 85 85 LEU CD2 C 25.507 0.300 2 950 85 85 LEU CG C 27.524 0.300 1 951 85 85 LEU N N 118.048 0.300 1 952 86 86 LEU H H 7.266 0.030 1 953 86 86 LEU HA H 4.658 0.030 1 954 86 86 LEU HB2 H 2.084 0.030 2 955 86 86 LEU HB3 H 1.336 0.030 2 956 86 86 LEU HD1 H 0.666 0.030 1 957 86 86 LEU HD2 H 0.856 0.030 1 958 86 86 LEU HG H 1.462 0.030 1 959 86 86 LEU C C 176.741 0.300 1 960 86 86 LEU CA C 54.561 0.300 1 961 86 86 LEU CB C 44.874 0.300 1 962 86 86 LEU CD1 C 26.372 0.300 2 963 86 86 LEU CD2 C 22.918 0.300 2 964 86 86 LEU CG C 26.998 0.300 1 965 86 86 LEU N N 117.621 0.300 1 966 87 87 GLY H H 7.515 0.030 1 967 87 87 GLY HA2 H 4.350 0.030 2 968 87 87 GLY HA3 H 3.625 0.030 2 969 87 87 GLY C C 174.390 0.300 1 970 87 87 GLY CA C 45.041 0.300 1 971 87 87 GLY N N 106.371 0.300 1 972 88 88 GLU H H 8.166 0.030 1 973 88 88 GLU HA H 2.696 0.030 1 974 88 88 GLU HB2 H 1.421 0.030 2 975 88 88 GLU HB3 H 0.954 0.030 2 976 88 88 GLU HG2 H 0.170 0.030 2 977 88 88 GLU HG3 H 1.152 0.030 2 978 88 88 GLU C C 175.566 0.300 1 979 88 88 GLU CA C 58.262 0.300 1 980 88 88 GLU CB C 27.435 0.300 1 981 88 88 GLU CG C 34.491 0.300 1 982 88 88 GLU N N 120.009 0.300 1 983 89 89 LEU H H 7.616 0.030 1 984 89 89 LEU HA H 4.042 0.030 1 985 89 89 LEU HB2 H 1.868 0.030 2 986 89 89 LEU HB3 H 1.391 0.030 2 987 89 89 LEU HD1 H 0.984 0.030 1 988 89 89 LEU HD2 H 1.314 0.030 1 989 89 89 LEU HG H 1.794 0.030 1 990 89 89 LEU C C 177.039 0.300 1 991 89 89 LEU CA C 57.825 0.300 1 992 89 89 LEU CB C 43.352 0.300 1 993 89 89 LEU CD1 C 26.134 0.300 2 994 89 89 LEU CD2 C 23.616 0.300 2 995 89 89 LEU CG C 26.925 0.300 1 996 89 89 LEU N N 121.773 0.300 1 997 90 90 ASP H H 7.722 0.030 1 998 90 90 ASP HA H 4.698 0.030 1 999 90 90 ASP HB2 H 2.953 0.030 2 1000 90 90 ASP HB3 H 2.587 0.030 2 1001 90 90 ASP C C 176.902 0.300 1 1002 90 90 ASP CA C 54.356 0.300 1 1003 90 90 ASP CB C 41.859 0.300 1 1004 90 90 ASP N N 111.832 0.300 1 1005 91 91 TYR H H 7.579 0.030 1 1006 91 91 TYR HA H 4.172 0.030 1 1007 91 91 TYR HB2 H 3.056 0.030 2 1008 91 91 TYR HB3 H 2.869 0.030 2 1009 91 91 TYR HD1 H 7.100 0.030 1 1010 91 91 TYR HD2 H 7.100 0.030 1 1011 91 91 TYR HE1 H 6.864 0.030 1 1012 91 91 TYR HE2 H 6.864 0.030 1 1013 91 91 TYR C C 174.496 0.300 1 1014 91 91 TYR CA C 60.362 0.300 1 1015 91 91 TYR CB C 36.919 0.300 1 1016 91 91 TYR CD1 C 133.024 0.300 1 1017 91 91 TYR CD2 C 133.024 0.300 1 1018 91 91 TYR CE1 C 118.328 0.300 1 1019 91 91 TYR CE2 C 118.328 0.300 1 1020 91 91 TYR N N 123.345 0.300 1 1021 92 92 GLN H H 7.645 0.030 1 1022 92 92 GLN HA H 4.346 0.030 1 1023 92 92 GLN HB2 H 1.731 0.030 2 1024 92 92 GLN HB3 H 1.833 0.030 2 1025 92 92 GLN HE21 H 7.747 0.030 2 1026 92 92 GLN HE22 H 6.828 0.030 2 1027 92 92 GLN HG2 H 2.583 0.030 2 1028 92 92 GLN HG3 H 2.121 0.030 2 1029 92 92 GLN C C 174.376 0.300 1 1030 92 92 GLN CA C 55.014 0.300 1 1031 92 92 GLN CB C 27.851 0.300 1 1032 92 92 GLN CG C 34.392 0.300 1 1033 92 92 GLN N N 126.873 0.300 1 1034 92 92 GLN NE2 N 111.542 0.300 1 1035 93 93 LEU H H 7.620 0.030 1 1036 93 93 LEU HA H 4.088 0.030 1 1037 93 93 LEU HB2 H 1.537 0.030 2 1038 93 93 LEU HB3 H 1.226 0.030 2 1039 93 93 LEU HD1 H 0.881 0.030 1 1040 93 93 LEU HD2 H 1.076 0.030 1 1041 93 93 LEU HG H 1.631 0.030 1 1042 93 93 LEU C C 175.763 0.300 1 1043 93 93 LEU CA C 55.534 0.300 1 1044 93 93 LEU CB C 43.266 0.300 1 1045 93 93 LEU CD1 C 27.326 0.300 2 1046 93 93 LEU CD2 C 24.473 0.300 2 1047 93 93 LEU CG C 27.606 0.300 1 1048 93 93 LEU N N 121.922 0.300 1 1049 94 94 GLN H H 8.762 0.030 1 1050 94 94 GLN HA H 4.441 0.030 1 1051 94 94 GLN HB2 H 2.091 0.030 2 1052 94 94 GLN HB3 H 2.032 0.030 2 1053 94 94 GLN HE21 H 6.851 0.030 2 1054 94 94 GLN HE22 H 7.230 0.030 2 1055 94 94 GLN HG2 H 2.487 0.030 2 1056 94 94 GLN HG3 H 2.360 0.030 2 1057 94 94 GLN C C 174.868 0.300 1 1058 94 94 GLN CA C 52.543 0.300 1 1059 94 94 GLN CB C 31.202 0.300 1 1060 94 94 GLN CG C 33.857 0.300 1 1061 94 94 GLN N N 120.087 0.300 1 1062 94 94 GLN NE2 N 114.239 0.300 1 1063 95 95 ASP H H 8.561 0.030 1 1064 95 95 ASP HA H 4.283 0.030 1 1065 95 95 ASP HB2 H 2.702 0.030 2 1066 95 95 ASP HB3 H 2.510 0.030 2 1067 95 95 ASP C C 177.505 0.300 1 1068 95 95 ASP CA C 56.964 0.300 1 1069 95 95 ASP CB C 41.888 0.300 1 1070 95 95 ASP N N 120.647 0.300 1 1071 96 96 GLN H H 9.299 0.030 1 1072 96 96 GLN HA H 3.615 0.030 1 1073 96 96 GLN HB2 H 2.340 0.030 2 1074 96 96 GLN HB3 H 2.445 0.030 2 1075 96 96 GLN HE21 H 6.724 0.030 2 1076 96 96 GLN HE22 H 7.726 0.030 2 1077 96 96 GLN HG2 H 2.252 0.030 2 1078 96 96 GLN HG3 H 2.338 0.030 2 1079 96 96 GLN C C 175.318 0.300 1 1080 96 96 GLN CA C 57.481 0.300 1 1081 96 96 GLN CB C 25.524 0.300 1 1082 96 96 GLN CG C 33.280 0.300 1 1083 96 96 GLN N N 116.628 0.300 1 1084 96 96 GLN NE2 N 113.803 0.300 1 1085 97 97 ASP H H 8.250 0.030 1 1086 97 97 ASP HA H 4.782 0.030 1 1087 97 97 ASP HB2 H 2.940 0.030 2 1088 97 97 ASP HB3 H 2.349 0.030 2 1089 97 97 ASP C C 174.926 0.300 1 1090 97 97 ASP CA C 56.288 0.300 1 1091 97 97 ASP CB C 42.254 0.300 1 1092 97 97 ASP N N 121.089 0.300 1 1093 98 98 SER H H 8.275 0.030 1 1094 98 98 SER HA H 5.287 0.030 1 1095 98 98 SER HB2 H 3.819 0.030 2 1096 98 98 SER HB3 H 3.675 0.030 2 1097 98 98 SER C C 173.329 0.300 1 1098 98 98 SER CA C 55.982 0.300 1 1099 98 98 SER CB C 64.409 0.300 1 1100 98 98 SER N N 113.497 0.300 1 1101 99 99 ILE H H 9.135 0.030 1 1102 99 99 ILE HA H 4.641 0.030 1 1103 99 99 ILE HB H 1.688 0.030 1 1104 99 99 ILE HD1 H 0.711 0.030 1 1105 99 99 ILE HG12 H 1.106 0.030 1 1106 99 99 ILE HG13 H 1.106 0.030 1 1107 99 99 ILE HG2 H 0.178 0.030 1 1108 99 99 ILE C C 173.134 0.300 1 1109 99 99 ILE CA C 59.619 0.300 1 1110 99 99 ILE CB C 39.098 0.300 1 1111 99 99 ILE CD1 C 14.333 0.300 1 1112 99 99 ILE CG1 C 28.523 0.300 1 1113 99 99 ILE CG2 C 19.677 0.300 1 1114 99 99 ILE N N 128.366 0.300 1 1115 100 100 LEU H H 8.908 0.030 1 1116 100 100 LEU HA H 4.968 0.030 1 1117 100 100 LEU HB2 H 1.549 0.030 2 1118 100 100 LEU HB3 H 1.241 0.030 2 1119 100 100 LEU HD1 H 0.618 0.030 1 1120 100 100 LEU HD2 H 0.755 0.030 1 1121 100 100 LEU HG H 1.265 0.030 1 1122 100 100 LEU C C 173.676 0.300 1 1123 100 100 LEU CA C 53.001 0.300 1 1124 100 100 LEU CB C 45.143 0.300 1 1125 100 100 LEU CD1 C 22.917 0.300 2 1126 100 100 LEU CD2 C 26.217 0.300 2 1127 100 100 LEU CG C 27.771 0.300 1 1128 100 100 LEU N N 131.040 0.300 1 1129 101 101 PHE H H 8.782 0.030 1 1130 101 101 PHE HA H 5.415 0.030 1 1131 101 101 PHE HB2 H 3.432 0.030 2 1132 101 101 PHE HB3 H 2.885 0.030 2 1133 101 101 PHE HD1 H 6.924 0.030 1 1134 101 101 PHE HD2 H 6.924 0.030 1 1135 101 101 PHE HE1 H 6.823 0.030 1 1136 101 101 PHE HE2 H 6.823 0.030 1 1137 101 101 PHE HZ H 6.830 0.030 1 1138 101 101 PHE C C 175.035 0.300 1 1139 101 101 PHE CA C 55.918 0.300 1 1140 101 101 PHE CB C 41.214 0.300 1 1141 101 101 PHE CD1 C 133.305 0.300 1 1142 101 101 PHE CD2 C 133.305 0.300 1 1143 101 101 PHE CE1 C 130.619 0.300 1 1144 101 101 PHE CE2 C 130.619 0.300 1 1145 101 101 PHE CZ C 128.036 0.300 1 1146 101 101 PHE N N 122.480 0.300 1 1147 102 102 ILE H H 9.105 0.030 1 1148 102 102 ILE HA H 4.627 0.030 1 1149 102 102 ILE HB H 1.683 0.030 1 1150 102 102 ILE HD1 H 0.791 0.030 1 1151 102 102 ILE HG12 H 1.373 0.030 2 1152 102 102 ILE HG13 H 0.914 0.030 2 1153 102 102 ILE HG2 H 0.824 0.030 1 1154 102 102 ILE C C 175.969 0.300 1 1155 102 102 ILE CA C 58.797 0.300 1 1156 102 102 ILE CB C 41.361 0.300 1 1157 102 102 ILE CD1 C 13.130 0.300 1 1158 102 102 ILE CG1 C 27.174 0.300 1 1159 102 102 ILE CG2 C 17.078 0.300 1 1160 102 102 ILE N N 121.486 0.300 1 1161 103 103 SER H H 8.086 0.030 1 1162 103 103 SER HA H 4.951 0.030 1 1163 103 103 SER HB2 H 4.008 0.030 2 1164 103 103 SER HB3 H 3.840 0.030 2 1165 103 103 SER C C 174.921 0.300 1 1166 103 103 SER CA C 58.098 0.300 1 1167 103 103 SER CB C 63.855 0.300 1 1168 103 103 SER N N 119.679 0.300 1 1169 104 104 THR H H 8.183 0.030 1 1170 104 104 THR HA H 4.660 0.030 1 1171 104 104 THR HB H 4.454 0.030 1 1172 104 104 THR HG2 H 1.255 0.030 1 1173 104 104 THR C C 174.821 0.300 1 1174 104 104 THR CA C 61.546 0.300 1 1175 104 104 THR CB C 70.133 0.300 1 1176 104 104 THR CG2 C 21.476 0.300 1 1177 104 104 THR N N 116.341 0.300 1 1178 105 105 LEU H H 8.140 0.030 1 1179 105 105 LEU HA H 4.359 0.030 1 1180 105 105 LEU HB2 H 1.520 0.030 2 1181 105 105 LEU HB3 H 1.576 0.030 2 1182 105 105 LEU HD1 H 0.910 0.030 1 1183 105 105 LEU HD2 H 0.927 0.030 1 1184 105 105 LEU HG H 1.591 0.030 1 1185 105 105 LEU C C 177.310 0.300 1 1186 105 105 LEU CA C 55.567 0.300 1 1187 105 105 LEU CB C 42.268 0.300 1 1188 105 105 LEU CD1 C 23.373 0.300 2 1189 105 105 LEU CD2 C 24.727 0.300 2 1190 105 105 LEU CG C 27.174 0.300 1 1191 105 105 LEU N N 122.752 0.300 1 1192 106 106 HIS H H 8.590 0.030 1 1193 106 106 HIS HA H 4.768 0.030 1 1194 106 106 HIS HB2 H 3.173 0.030 2 1195 106 106 HIS HB3 H 3.319 0.030 2 1196 106 106 HIS HD2 H 7.207 0.030 1 1197 106 106 HIS HE1 H 8.259 0.030 1 1198 106 106 HIS C C 175.445 0.300 1 1199 106 106 HIS CA C 55.754 0.300 1 1200 106 106 HIS CB C 29.804 0.300 1 1201 106 106 HIS CD2 C 120.318 0.300 1 1202 106 106 HIS CE1 C 137.216 0.300 1 1203 106 106 HIS N N 119.836 0.300 1 1204 107 107 GLY H H 8.429 0.030 1 1205 107 107 GLY C C 174.673 0.300 1 1206 107 107 GLY CA C 45.408 0.300 1 1207 107 107 GLY N N 110.204 0.300 1 stop_ save_