data_11270 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Novel Identified Ubiquitin-like Domain in the Human Hypothetical Protein FLJ35834 ; _BMRB_accession_number 11270 _BMRB_flat_file_name bmr11270.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 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 624 "13C chemical shifts" 494 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Novel Identified Ubiquitin-like Domain in the Human Hypothetical Protein FLJ35834 ; _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 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 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 'FLJ35834 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like domain' $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 'ubiquitin-like domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSSGSSGQESVEDSLATVKV VLIPVGQEIVIPFKVDTILK YLKDHFSHLLGIPHSVLQIR YSGKILKNNETLVQHGVKPQ EIVQVEIFSTNPDLYPVRRI DGLTDVSQIITVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 GLU 10 SER 11 VAL 12 GLU 13 ASP 14 SER 15 LEU 16 ALA 17 THR 18 VAL 19 LYS 20 VAL 21 VAL 22 LEU 23 ILE 24 PRO 25 VAL 26 GLY 27 GLN 28 GLU 29 ILE 30 VAL 31 ILE 32 PRO 33 PHE 34 LYS 35 VAL 36 ASP 37 THR 38 ILE 39 LEU 40 LYS 41 TYR 42 LEU 43 LYS 44 ASP 45 HIS 46 PHE 47 SER 48 HIS 49 LEU 50 LEU 51 GLY 52 ILE 53 PRO 54 HIS 55 SER 56 VAL 57 LEU 58 GLN 59 ILE 60 ARG 61 TYR 62 SER 63 GLY 64 LYS 65 ILE 66 LEU 67 LYS 68 ASN 69 ASN 70 GLU 71 THR 72 LEU 73 VAL 74 GLN 75 HIS 76 GLY 77 VAL 78 LYS 79 PRO 80 GLN 81 GLU 82 ILE 83 VAL 84 GLN 85 VAL 86 GLU 87 ILE 88 PHE 89 SER 90 THR 91 ASN 92 PRO 93 ASP 94 LEU 95 TYR 96 PRO 97 VAL 98 ARG 99 ARG 100 ILE 101 ASP 102 GLY 103 LEU 104 THR 105 ASP 106 VAL 107 SER 108 GLN 109 ILE 110 ILE 111 THR 112 VAL 113 SER 114 GLY 115 PRO 116 SER 117 SER 118 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2DAF "Solution Structure Of The Novel Identified Ubiquitin-Like Domain In The Human Hypothetical Protein Flj35834" 100.00 118 100.00 100.00 7.99e-76 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 human 9606 Eukaryota Metazoa Homo sapiens 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 P050125-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.29mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.29 mM '[U-13C; U-15N]' d-Tris-HCl 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 20030801 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 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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 7.0 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 'ubiquitin-like domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.007 0.030 1 2 7 7 GLY HA3 H 4.007 0.030 1 3 7 7 GLY C C 173.983 0.300 1 4 7 7 GLY CA C 45.382 0.300 1 5 8 8 GLN H H 8.202 0.030 1 6 8 8 GLN HA H 4.405 0.030 1 7 8 8 GLN HB2 H 1.978 0.030 2 8 8 8 GLN HB3 H 2.158 0.030 2 9 8 8 GLN HG2 H 2.339 0.030 1 10 8 8 GLN HG3 H 2.339 0.030 1 11 8 8 GLN C C 175.168 0.300 1 12 8 8 GLN CA C 55.690 0.300 1 13 8 8 GLN CB C 29.710 0.300 1 14 8 8 GLN CG C 33.682 0.300 1 15 8 8 GLN N N 120.035 0.300 1 16 9 9 GLU H H 8.146 0.030 1 17 9 9 GLU C C 181.272 0.300 1 18 9 9 GLU CA C 58.364 0.300 1 19 9 9 GLU CB C 30.980 0.300 1 20 9 9 GLU N N 127.609 0.300 1 21 11 11 VAL HA H 4.111 0.030 1 22 11 11 VAL HB H 2.106 0.030 1 23 11 11 VAL HG1 H 0.873 0.030 1 24 11 11 VAL C C 176.523 0.300 1 25 11 11 VAL CA C 63.324 0.300 1 26 11 11 VAL CB C 32.424 0.300 1 27 11 11 VAL CG1 C 20.969 0.300 2 28 12 12 GLU H H 8.630 0.030 1 29 12 12 GLU HA H 4.238 0.030 1 30 12 12 GLU HB2 H 2.049 0.030 2 31 12 12 GLU HB3 H 1.938 0.030 2 32 12 12 GLU HG2 H 2.256 0.030 1 33 12 12 GLU HG3 H 2.256 0.030 1 34 12 12 GLU C C 176.523 0.300 1 35 12 12 GLU CA C 57.291 0.300 1 36 12 12 GLU CB C 29.823 0.300 1 37 12 12 GLU CG C 36.406 0.300 1 38 12 12 GLU N N 122.923 0.300 1 39 13 13 ASP H H 8.059 0.030 1 40 13 13 ASP HA H 4.594 0.030 1 41 13 13 ASP HB2 H 2.697 0.030 2 42 13 13 ASP HB3 H 2.732 0.030 2 43 13 13 ASP C C 176.497 0.300 1 44 13 13 ASP CA C 55.496 0.300 1 45 13 13 ASP CB C 41.386 0.300 1 46 13 13 ASP N N 120.685 0.300 1 47 14 14 SER H H 8.331 0.030 1 48 14 14 SER HA H 4.487 0.030 1 49 14 14 SER HB2 H 3.898 0.030 2 50 14 14 SER HB3 H 4.008 0.030 2 51 14 14 SER C C 173.620 0.300 1 52 14 14 SER CA C 58.082 0.300 1 53 14 14 SER CB C 63.879 0.300 1 54 14 14 SER N N 113.807 0.300 1 55 15 15 LEU H H 7.923 0.030 1 56 15 15 LEU HA H 4.421 0.030 1 57 15 15 LEU HB2 H 1.348 0.030 2 58 15 15 LEU HB3 H 1.777 0.030 2 59 15 15 LEU HD1 H 0.875 0.030 1 60 15 15 LEU HD2 H 0.685 0.030 1 61 15 15 LEU HG H 1.638 0.030 1 62 15 15 LEU C C 177.368 0.300 1 63 15 15 LEU CA C 55.866 0.300 1 64 15 15 LEU CB C 43.444 0.300 1 65 15 15 LEU CD1 C 25.528 0.300 2 66 15 15 LEU CD2 C 23.730 0.300 2 67 15 15 LEU CG C 26.644 0.300 1 68 15 15 LEU N N 122.138 0.300 1 69 16 16 ALA H H 8.829 0.030 1 70 16 16 ALA HA H 4.630 0.030 1 71 16 16 ALA HB H 1.300 0.030 1 72 16 16 ALA C C 175.941 0.300 1 73 16 16 ALA CA C 50.940 0.300 1 74 16 16 ALA CB C 20.995 0.300 1 75 16 16 ALA N N 125.836 0.300 1 76 17 17 THR H H 8.628 0.030 1 77 17 17 THR HA H 4.291 0.030 1 78 17 17 THR HB H 4.000 0.030 1 79 17 17 THR HG2 H 1.026 0.030 1 80 17 17 THR C C 172.194 0.300 1 81 17 17 THR CA C 63.324 0.300 1 82 17 17 THR CB C 69.424 0.300 1 83 17 17 THR CG2 C 22.075 0.300 1 84 17 17 THR N N 117.895 0.300 1 85 18 18 VAL H H 8.740 0.030 1 86 18 18 VAL HA H 4.520 0.030 1 87 18 18 VAL HB H 2.267 0.030 1 88 18 18 VAL HG1 H 0.620 0.030 1 89 18 18 VAL HG2 H 0.704 0.030 1 90 18 18 VAL C C 174.346 0.300 1 91 18 18 VAL CA C 60.967 0.300 1 92 18 18 VAL CB C 31.930 0.300 1 93 18 18 VAL CG1 C 22.785 0.300 2 94 18 18 VAL CG2 C 22.131 0.300 2 95 18 18 VAL N N 127.665 0.300 1 96 19 19 LYS H H 9.372 0.030 1 97 19 19 LYS HA H 4.598 0.030 1 98 19 19 LYS HB2 H 1.667 0.030 1 99 19 19 LYS HB3 H 1.667 0.030 1 100 19 19 LYS HD2 H 1.617 0.030 1 101 19 19 LYS HD3 H 1.617 0.030 1 102 19 19 LYS HE2 H 2.775 0.030 2 103 19 19 LYS HE3 H 2.802 0.030 2 104 19 19 LYS HG2 H 1.166 0.030 2 105 19 19 LYS HG3 H 1.296 0.030 2 106 19 19 LYS C C 174.225 0.300 1 107 19 19 LYS CA C 55.479 0.300 1 108 19 19 LYS CB C 32.588 0.300 1 109 19 19 LYS CD C 29.524 0.300 1 110 19 19 LYS CE C 41.856 0.300 1 111 19 19 LYS CG C 25.234 0.300 1 112 19 19 LYS N N 128.654 0.300 1 113 20 20 VAL H H 9.262 0.030 1 114 20 20 VAL HA H 4.215 0.030 1 115 20 20 VAL HB H 2.105 0.030 1 116 20 20 VAL HG1 H 0.104 0.030 1 117 20 20 VAL HG2 H 0.663 0.030 1 118 20 20 VAL C C 175.216 0.300 1 119 20 20 VAL CA C 61.460 0.300 1 120 20 20 VAL CB C 32.320 0.300 1 121 20 20 VAL CG1 C 21.081 0.300 2 122 20 20 VAL CG2 C 21.196 0.300 2 123 20 20 VAL N N 127.314 0.300 1 124 21 21 VAL H H 8.882 0.030 1 125 21 21 VAL HA H 4.663 0.030 1 126 21 21 VAL HB H 1.989 0.030 1 127 21 21 VAL HG1 H 0.775 0.030 1 128 21 21 VAL HG2 H 0.906 0.030 1 129 21 21 VAL C C 175.748 0.300 1 130 21 21 VAL CA C 61.178 0.300 1 131 21 21 VAL CB C 33.228 0.300 1 132 21 21 VAL CG1 C 20.969 0.300 2 133 21 21 VAL CG2 C 21.423 0.300 2 134 21 21 VAL N N 127.130 0.300 1 135 22 22 LEU H H 8.648 0.030 1 136 22 22 LEU HA H 4.490 0.030 1 137 22 22 LEU HB2 H 1.755 0.030 2 138 22 22 LEU HB3 H 1.208 0.030 2 139 22 22 LEU HD1 H 0.954 0.030 1 140 22 22 LEU HD2 H 0.725 0.030 1 141 22 22 LEU HG H 1.633 0.030 1 142 22 22 LEU C C 175.820 0.300 1 143 22 22 LEU CA C 54.071 0.300 1 144 22 22 LEU CB C 42.291 0.300 1 145 22 22 LEU CD1 C 25.988 0.300 2 146 22 22 LEU CD2 C 23.920 0.300 2 147 22 22 LEU CG C 27.026 0.300 1 148 22 22 LEU N N 126.682 0.300 1 149 23 23 ILE H H 8.833 0.030 1 150 23 23 ILE HA H 4.647 0.030 1 151 23 23 ILE HB H 2.239 0.030 1 152 23 23 ILE HD1 H 0.703 0.030 1 153 23 23 ILE HG12 H 1.576 0.030 2 154 23 23 ILE HG13 H 1.364 0.030 2 155 23 23 ILE HG2 H 0.853 0.030 1 156 23 23 ILE C C 177.032 0.300 1 157 23 23 ILE CA C 56.464 0.300 1 158 23 23 ILE CB C 38.903 0.300 1 159 23 23 ILE CD1 C 10.927 0.300 1 160 23 23 ILE CG1 C 26.644 0.300 1 161 23 23 ILE CG2 C 16.203 0.300 1 162 23 23 ILE N N 127.321 0.300 1 163 24 24 PRO HA H 4.880 0.030 1 164 24 24 PRO HB2 H 2.092 0.030 2 165 24 24 PRO HB3 H 2.407 0.030 2 166 24 24 PRO HD2 H 3.729 0.030 1 167 24 24 PRO HD3 H 3.729 0.030 1 168 24 24 PRO HG2 H 1.768 0.030 2 169 24 24 PRO HG3 H 2.131 0.030 2 170 24 24 PRO C C 176.618 0.300 1 171 24 24 PRO CA C 64.450 0.300 1 172 24 24 PRO CB C 33.575 0.300 1 173 24 24 PRO CD C 49.957 0.300 1 174 24 24 PRO CG C 24.506 0.300 1 175 25 25 VAL H H 6.852 0.030 1 176 25 25 VAL HA H 4.064 0.030 1 177 25 25 VAL HB H 2.231 0.030 1 178 25 25 VAL HG1 H 1.034 0.030 1 179 25 25 VAL HG2 H 0.868 0.030 1 180 25 25 VAL C C 176.739 0.300 1 181 25 25 VAL CA C 63.922 0.300 1 182 25 25 VAL CB C 31.930 0.300 1 183 25 25 VAL CG1 C 21.992 0.300 2 184 25 25 VAL CG2 C 20.969 0.300 2 185 25 25 VAL N N 117.833 0.300 1 186 26 26 GLY H H 9.045 0.030 1 187 26 26 GLY HA2 H 3.517 0.030 2 188 26 26 GLY HA3 H 4.133 0.030 2 189 26 26 GLY C C 173.645 0.300 1 190 26 26 GLY CA C 46.015 0.300 1 191 26 26 GLY N N 108.573 0.300 1 192 27 27 GLN H H 6.391 0.030 1 193 27 27 GLN HA H 4.339 0.030 1 194 27 27 GLN HB2 H 1.965 0.030 2 195 27 27 GLN HB3 H 1.804 0.030 2 196 27 27 GLN HE21 H 7.207 0.030 2 197 27 27 GLN HE22 H 7.387 0.030 2 198 27 27 GLN HG2 H 2.495 0.030 2 199 27 27 GLN HG3 H 2.152 0.030 2 200 27 27 GLN C C 173.137 0.300 1 201 27 27 GLN CA C 55.725 0.300 1 202 27 27 GLN CB C 30.504 0.300 1 203 27 27 GLN CG C 33.228 0.300 1 204 27 27 GLN N N 120.124 0.300 1 205 27 27 GLN NE2 N 107.488 0.300 1 206 28 28 GLU H H 8.649 0.030 1 207 28 28 GLU HA H 5.503 0.030 1 208 28 28 GLU HB2 H 1.858 0.030 2 209 28 28 GLU HB3 H 1.918 0.030 2 210 28 28 GLU HG2 H 1.927 0.030 2 211 28 28 GLU HG3 H 2.140 0.030 2 212 28 28 GLU C C 175.941 0.300 1 213 28 28 GLU CA C 54.458 0.300 1 214 28 28 GLU CB C 32.506 0.300 1 215 28 28 GLU CG C 37.315 0.300 1 216 28 28 GLU N N 126.633 0.300 1 217 29 29 ILE H H 9.588 0.030 1 218 29 29 ILE HA H 4.458 0.030 1 219 29 29 ILE HB H 1.894 0.030 1 220 29 29 ILE HD1 H 0.937 0.030 1 221 29 29 ILE HG12 H 1.508 0.030 2 222 29 29 ILE HG13 H 1.335 0.030 2 223 29 29 ILE HG2 H 1.041 0.030 1 224 29 29 ILE C C 174.176 0.300 1 225 29 29 ILE CA C 60.299 0.300 1 226 29 29 ILE CB C 41.222 0.300 1 227 29 29 ILE CD1 C 14.129 0.300 1 228 29 29 ILE CG1 C 28.234 0.300 1 229 29 29 ILE CG2 C 18.350 0.300 1 230 29 29 ILE N N 128.726 0.300 1 231 30 30 VAL H H 8.655 0.030 1 232 30 30 VAL HA H 4.933 0.030 1 233 30 30 VAL HB H 1.998 0.030 1 234 30 30 VAL HG1 H 0.796 0.030 1 235 30 30 VAL HG2 H 0.938 0.030 1 236 30 30 VAL C C 175.869 0.300 1 237 30 30 VAL CA C 62.177 0.300 1 238 30 30 VAL CB C 32.095 0.300 1 239 30 30 VAL CG1 C 22.104 0.300 2 240 30 30 VAL CG2 C 21.650 0.300 2 241 30 30 VAL N N 127.951 0.300 1 242 31 31 ILE H H 9.513 0.030 1 243 31 31 ILE HA H 5.027 0.030 1 244 31 31 ILE HB H 1.922 0.030 1 245 31 31 ILE HD1 H 0.684 0.030 1 246 31 31 ILE HG12 H 1.315 0.030 2 247 31 31 ILE HG13 H 1.576 0.030 2 248 31 31 ILE HG2 H 0.973 0.030 1 249 31 31 ILE C C 172.622 0.300 1 250 31 31 ILE CA C 57.027 0.300 1 251 31 31 ILE CB C 41.916 0.300 1 252 31 31 ILE CD1 C 13.360 0.300 1 253 31 31 ILE CG1 C 26.871 0.300 1 254 31 31 ILE CG2 C 17.290 0.300 1 255 31 31 ILE N N 127.273 0.300 1 256 32 32 PRO HA H 5.264 0.030 1 257 32 32 PRO HB2 H 1.919 0.030 2 258 32 32 PRO HB3 H 2.336 0.030 2 259 32 32 PRO HD2 H 3.810 0.030 2 260 32 32 PRO HD3 H 3.880 0.030 2 261 32 32 PRO HG2 H 2.188 0.030 2 262 32 32 PRO HG3 H 1.999 0.030 2 263 32 32 PRO C C 177.029 0.300 1 264 32 32 PRO CA C 61.776 0.300 1 265 32 32 PRO CB C 32.095 0.300 1 266 32 32 PRO CD C 51.044 0.300 1 267 32 32 PRO CG C 27.553 0.300 1 268 33 33 PHE H H 8.978 0.030 1 269 33 33 PHE HA H 4.582 0.030 1 270 33 33 PHE HB2 H 2.663 0.030 2 271 33 33 PHE HB3 H 2.856 0.030 2 272 33 33 PHE HD1 H 7.241 0.030 1 273 33 33 PHE HD2 H 7.241 0.030 1 274 33 33 PHE HE1 H 7.360 0.030 1 275 33 33 PHE HE2 H 7.360 0.030 1 276 33 33 PHE HZ H 7.336 0.030 1 277 33 33 PHE C C 174.176 0.300 1 278 33 33 PHE CA C 58.821 0.300 1 279 33 33 PHE CB C 45.033 0.300 1 280 33 33 PHE CD1 C 132.586 0.300 1 281 33 33 PHE CD2 C 132.586 0.300 1 282 33 33 PHE CE1 C 130.106 0.300 1 283 33 33 PHE CE2 C 130.106 0.300 1 284 33 33 PHE CZ C 131.243 0.300 1 285 33 33 PHE N N 124.885 0.300 1 286 34 34 LYS H H 7.808 0.030 1 287 34 34 LYS HA H 4.409 0.030 1 288 34 34 LYS HB2 H 1.598 0.030 2 289 34 34 LYS HB3 H 1.807 0.030 2 290 34 34 LYS HD2 H 1.548 0.030 1 291 34 34 LYS HD3 H 1.548 0.030 1 292 34 34 LYS HE2 H 2.900 0.030 1 293 34 34 LYS HE3 H 2.900 0.030 1 294 34 34 LYS HG2 H 1.376 0.030 1 295 34 34 LYS HG3 H 1.376 0.030 1 296 34 34 LYS C C 179.447 0.300 1 297 34 34 LYS CA C 57.414 0.300 1 298 34 34 LYS CB C 32.547 0.300 1 299 34 34 LYS CD C 29.524 0.300 1 300 34 34 LYS CE C 41.856 0.300 1 301 34 34 LYS CG C 26.218 0.300 1 302 34 34 LYS N N 127.757 0.300 1 303 35 35 VAL H H 8.519 0.030 1 304 35 35 VAL HA H 4.053 0.030 1 305 35 35 VAL HB H 2.290 0.030 1 306 35 35 VAL HG1 H 0.834 0.030 1 307 35 35 VAL HG2 H 0.920 0.030 1 308 35 35 VAL C C 173.838 0.300 1 309 35 35 VAL CA C 64.380 0.300 1 310 35 35 VAL CB C 31.190 0.300 1 311 35 35 VAL CG1 C 22.819 0.300 2 312 35 35 VAL CG2 C 18.019 0.300 2 313 35 35 VAL N N 113.863 0.300 1 314 36 36 ASP H H 8.077 0.030 1 315 36 36 ASP HA H 4.788 0.030 1 316 36 36 ASP HB2 H 2.474 0.030 2 317 36 36 ASP HB3 H 3.063 0.030 2 318 36 36 ASP C C 175.699 0.300 1 319 36 36 ASP CA C 52.207 0.300 1 320 36 36 ASP CB C 40.493 0.300 1 321 36 36 ASP N N 114.777 0.300 1 322 37 37 THR H H 7.002 0.030 1 323 37 37 THR HA H 4.480 0.030 1 324 37 37 THR HB H 3.503 0.030 1 325 37 37 THR HG2 H 1.360 0.030 1 326 37 37 THR C C 174.297 0.300 1 327 37 37 THR CA C 62.198 0.300 1 328 37 37 THR CB C 69.671 0.300 1 329 37 37 THR CG2 C 23.466 0.300 1 330 37 37 THR N N 117.747 0.300 1 331 38 38 ILE H H 8.548 0.030 1 332 38 38 ILE HA H 4.487 0.030 1 333 38 38 ILE HB H 2.734 0.030 1 334 38 38 ILE HD1 H 0.944 0.030 1 335 38 38 ILE HG12 H 1.587 0.030 1 336 38 38 ILE HG13 H 1.587 0.030 1 337 38 38 ILE HG2 H 1.009 0.030 1 338 38 38 ILE C C 178.117 0.300 1 339 38 38 ILE CA C 63.359 0.300 1 340 38 38 ILE CB C 37.352 0.300 1 341 38 38 ILE CD1 C 13.798 0.300 1 342 38 38 ILE CG1 C 25.963 0.300 1 343 38 38 ILE CG2 C 17.936 0.300 1 344 38 38 ILE N N 121.751 0.300 1 345 39 39 LEU H H 8.690 0.030 1 346 39 39 LEU HA H 4.022 0.030 1 347 39 39 LEU HB2 H 1.318 0.030 2 348 39 39 LEU HB3 H 1.965 0.030 2 349 39 39 LEU HD1 H 0.747 0.030 1 350 39 39 LEU HD2 H 0.760 0.030 1 351 39 39 LEU HG H 1.879 0.030 1 352 39 39 LEU C C 178.891 0.300 1 353 39 39 LEU CA C 57.730 0.300 1 354 39 39 LEU CB C 40.947 0.300 1 355 39 39 LEU CD1 C 26.792 0.300 2 356 39 39 LEU CD2 C 23.730 0.300 2 357 39 39 LEU CG C 28.613 0.300 1 358 39 39 LEU N N 122.623 0.300 1 359 40 40 LYS H H 8.769 0.030 1 360 40 40 LYS HA H 3.712 0.030 1 361 40 40 LYS HB2 H 1.213 0.030 2 362 40 40 LYS HB3 H 1.913 0.030 2 363 40 40 LYS HD2 H 1.166 0.030 2 364 40 40 LYS HD3 H 1.380 0.030 2 365 40 40 LYS HE2 H 2.548 0.030 1 366 40 40 LYS HE3 H 2.548 0.030 1 367 40 40 LYS HG2 H 1.107 0.030 2 368 40 40 LYS HG3 H 1.184 0.030 2 369 40 40 LYS C C 177.440 0.300 1 370 40 40 LYS CA C 59.595 0.300 1 371 40 40 LYS CB C 33.986 0.300 1 372 40 40 LYS CD C 28.688 0.300 1 373 40 40 LYS CE C 41.954 0.300 1 374 40 40 LYS CG C 24.243 0.300 1 375 40 40 LYS N N 122.041 0.300 1 376 41 41 TYR H H 7.645 0.030 1 377 41 41 TYR HA H 4.481 0.030 1 378 41 41 TYR HB2 H 3.081 0.030 2 379 41 41 TYR HB3 H 3.434 0.030 2 380 41 41 TYR HD1 H 7.511 0.030 1 381 41 41 TYR HD2 H 7.511 0.030 1 382 41 41 TYR HE1 H 6.923 0.030 1 383 41 41 TYR HE2 H 6.923 0.030 1 384 41 41 TYR C C 179.060 0.300 1 385 41 41 TYR CA C 61.882 0.300 1 386 41 41 TYR CB C 37.768 0.300 1 387 41 41 TYR CD1 C 133.336 0.300 1 388 41 41 TYR CD2 C 133.336 0.300 1 389 41 41 TYR CE1 C 118.347 0.300 1 390 41 41 TYR CE2 C 118.347 0.300 1 391 41 41 TYR N N 112.757 0.300 1 392 42 42 LEU H H 7.497 0.030 1 393 42 42 LEU HA H 4.193 0.030 1 394 42 42 LEU HB2 H 0.650 0.030 2 395 42 42 LEU HB3 H 1.703 0.030 2 396 42 42 LEU HD1 H 0.409 0.030 1 397 42 42 LEU HD2 H 0.542 0.030 1 398 42 42 LEU HG H 1.363 0.030 1 399 42 42 LEU C C 178.359 0.300 1 400 42 42 LEU CA C 57.906 0.300 1 401 42 42 LEU CB C 41.174 0.300 1 402 42 42 LEU CD1 C 25.073 0.300 2 403 42 42 LEU CD2 C 23.920 0.300 2 404 42 42 LEU CG C 27.098 0.300 1 405 42 42 LEU N N 122.466 0.300 1 406 43 43 LYS H H 7.804 0.030 1 407 43 43 LYS HA H 3.716 0.030 1 408 43 43 LYS HB2 H 1.807 0.030 1 409 43 43 LYS HB3 H 1.807 0.030 1 410 43 43 LYS HD2 H 1.643 0.030 2 411 43 43 LYS HD3 H 2.126 0.030 2 412 43 43 LYS HE2 H 2.553 0.030 2 413 43 43 LYS HE3 H 2.878 0.030 2 414 43 43 LYS HG2 H 1.182 0.030 2 415 43 43 LYS HG3 H 1.272 0.030 2 416 43 43 LYS C C 178.407 0.300 1 417 43 43 LYS CA C 60.967 0.300 1 418 43 43 LYS CB C 31.782 0.300 1 419 43 43 LYS CD C 28.391 0.300 1 420 43 43 LYS CE C 42.309 0.300 1 421 43 43 LYS CG C 26.379 0.300 1 422 43 43 LYS N N 119.135 0.300 1 423 44 44 ASP H H 8.990 0.030 1 424 44 44 ASP HA H 4.389 0.030 1 425 44 44 ASP HB2 H 2.838 0.030 2 426 44 44 ASP HB3 H 2.713 0.030 2 427 44 44 ASP C C 178.673 0.300 1 428 44 44 ASP CA C 57.730 0.300 1 429 44 44 ASP CB C 40.720 0.300 1 430 44 44 ASP N N 119.523 0.300 1 431 45 45 HIS H H 7.492 0.030 1 432 45 45 HIS HA H 4.418 0.030 1 433 45 45 HIS HB2 H 3.266 0.030 2 434 45 45 HIS HB3 H 3.364 0.030 2 435 45 45 HIS HD2 H 5.671 0.030 1 436 45 45 HIS HE1 H 8.023 0.030 1 437 45 45 HIS C C 177.875 0.300 1 438 45 45 HIS CA C 60.052 0.300 1 439 45 45 HIS CB C 30.958 0.300 1 440 45 45 HIS CD2 C 117.415 0.300 1 441 45 45 HIS CE1 C 138.077 0.300 1 442 45 45 HIS N N 119.735 0.300 1 443 46 46 PHE H H 7.790 0.030 1 444 46 46 PHE HA H 3.924 0.030 1 445 46 46 PHE HB2 H 2.749 0.030 2 446 46 46 PHE HB3 H 2.895 0.030 2 447 46 46 PHE HD1 H 7.335 0.030 1 448 46 46 PHE HD2 H 7.335 0.030 1 449 46 46 PHE HE1 H 7.191 0.030 1 450 46 46 PHE HE2 H 7.191 0.030 1 451 46 46 PHE HZ H 7.049 0.030 1 452 46 46 PHE C C 177.102 0.300 1 453 46 46 PHE CA C 63.570 0.300 1 454 46 46 PHE CB C 39.121 0.300 1 455 46 46 PHE CD1 C 130.994 0.300 1 456 46 46 PHE CD2 C 130.994 0.300 1 457 46 46 PHE CE1 C 131.172 0.300 1 458 46 46 PHE CE2 C 131.172 0.300 1 459 46 46 PHE CZ C 129.082 0.300 1 460 46 46 PHE N N 114.485 0.300 1 461 47 47 SER H H 8.980 0.030 1 462 47 47 SER HA H 4.304 0.030 1 463 47 47 SER HB2 H 3.972 0.030 2 464 47 47 SER HB3 H 4.085 0.030 2 465 47 47 SER C C 177.585 0.300 1 466 47 47 SER CA C 61.706 0.300 1 467 47 47 SER CB C 62.928 0.300 1 468 47 47 SER N N 117.585 0.300 1 469 48 48 HIS H H 7.610 0.030 1 470 48 48 HIS HA H 4.426 0.030 1 471 48 48 HIS HB2 H 3.265 0.030 1 472 48 48 HIS HB3 H 3.265 0.030 1 473 48 48 HIS HD2 H 7.031 0.030 1 474 48 48 HIS HE1 H 7.741 0.030 1 475 48 48 HIS C C 177.948 0.300 1 476 48 48 HIS CA C 59.102 0.300 1 477 48 48 HIS CB C 29.369 0.300 1 478 48 48 HIS CD2 C 120.270 0.300 1 479 48 48 HIS CE1 C 139.225 0.300 1 480 48 48 HIS N N 118.554 0.300 1 481 49 49 LEU H H 7.639 0.030 1 482 49 49 LEU HA H 3.903 0.030 1 483 49 49 LEU HB2 H 1.356 0.030 2 484 49 49 LEU HB3 H 1.524 0.030 2 485 49 49 LEU HD1 H 0.303 0.030 1 486 49 49 LEU HD2 H 0.715 0.030 1 487 49 49 LEU HG H 0.380 0.030 1 488 49 49 LEU C C 178.794 0.300 1 489 49 49 LEU CA C 57.625 0.300 1 490 49 49 LEU CB C 43.444 0.300 1 491 49 49 LEU CD1 C 24.828 0.300 2 492 49 49 LEU CD2 C 22.993 0.300 2 493 49 49 LEU CG C 24.706 0.300 1 494 49 49 LEU N N 118.166 0.300 1 495 50 50 LEU H H 8.453 0.030 1 496 50 50 LEU HA H 4.333 0.030 1 497 50 50 LEU HB2 H 1.701 0.030 2 498 50 50 LEU HB3 H 1.900 0.030 2 499 50 50 LEU HD1 H 0.981 0.030 1 500 50 50 LEU HD2 H 1.175 0.030 1 501 50 50 LEU HG H 1.975 0.030 1 502 50 50 LEU C C 177.972 0.300 1 503 50 50 LEU CA C 55.162 0.300 1 504 50 50 LEU CB C 43.671 0.300 1 505 50 50 LEU CD1 C 26.644 0.300 2 506 50 50 LEU CD2 C 24.372 0.300 2 507 50 50 LEU CG C 27.780 0.300 1 508 50 50 LEU N N 113.813 0.300 1 509 51 51 GLY H H 7.834 0.030 1 510 51 51 GLY HA2 H 3.910 0.030 2 511 51 51 GLY HA3 H 3.991 0.030 2 512 51 51 GLY C C 174.636 0.300 1 513 51 51 GLY CA C 46.824 0.300 1 514 51 51 GLY N N 109.062 0.300 1 515 52 52 ILE H H 7.251 0.030 1 516 52 52 ILE HA H 4.584 0.030 1 517 52 52 ILE HB H 1.399 0.030 1 518 52 52 ILE HD1 H 0.746 0.030 1 519 52 52 ILE HG12 H 0.877 0.030 2 520 52 52 ILE HG13 H 1.395 0.030 2 521 52 52 ILE HG2 H 0.848 0.030 1 522 52 52 ILE C C 172.622 0.300 1 523 52 52 ILE CA C 57.836 0.300 1 524 52 52 ILE CB C 41.855 0.300 1 525 52 52 ILE CD1 C 14.372 0.300 1 526 52 52 ILE CG1 C 25.736 0.300 1 527 52 52 ILE CG2 C 16.794 0.300 1 528 52 52 ILE N N 116.493 0.300 1 529 53 53 PRO HA H 4.216 0.030 1 530 53 53 PRO HB2 H 1.547 0.030 2 531 53 53 PRO HB3 H 2.231 0.030 2 532 53 53 PRO HD2 H 3.342 0.030 2 533 53 53 PRO HD3 H 2.417 0.030 2 534 53 53 PRO HG2 H 1.422 0.030 2 535 53 53 PRO HG3 H 1.663 0.030 2 536 53 53 PRO C C 177.368 0.300 1 537 53 53 PRO CA C 63.078 0.300 1 538 53 53 PRO CB C 32.342 0.300 1 539 53 53 PRO CD C 51.209 0.300 1 540 53 53 PRO CG C 27.326 0.300 1 541 54 54 HIS H H 8.448 0.030 1 542 54 54 HIS HA H 3.914 0.030 1 543 54 54 HIS HB2 H 3.082 0.030 2 544 54 54 HIS HB3 H 3.140 0.030 2 545 54 54 HIS HD2 H 7.166 0.030 1 546 54 54 HIS HE1 H 7.663 0.030 1 547 54 54 HIS C C 176.811 0.300 1 548 54 54 HIS CA C 60.334 0.300 1 549 54 54 HIS CB C 30.360 0.300 1 550 54 54 HIS CD2 C 119.920 0.300 1 551 54 54 HIS CE1 C 138.551 0.300 1 552 54 54 HIS N N 121.570 0.300 1 553 55 55 SER H H 7.133 0.030 1 554 55 55 SER HA H 4.078 0.030 1 555 55 55 SER HB2 H 3.579 0.030 2 556 55 55 SER HB3 H 3.832 0.030 2 557 55 55 SER C C 175.554 0.300 1 558 55 55 SER CA C 59.912 0.300 1 559 55 55 SER CB C 62.517 0.300 1 560 55 55 SER N N 109.962 0.300 1 561 56 56 VAL H H 7.330 0.030 1 562 56 56 VAL HA H 4.181 0.030 1 563 56 56 VAL HB H 2.181 0.030 1 564 56 56 VAL HG1 H 0.950 0.030 1 565 56 56 VAL HG2 H 0.771 0.030 1 566 56 56 VAL C C 174.370 0.300 1 567 56 56 VAL CA C 61.424 0.300 1 568 56 56 VAL CB C 32.259 0.300 1 569 56 56 VAL CG1 C 22.327 0.300 2 570 56 56 VAL CG2 C 20.943 0.300 2 571 56 56 VAL N N 117.682 0.300 1 572 57 57 LEU H H 7.136 0.030 1 573 57 57 LEU HA H 4.823 0.030 1 574 57 57 LEU HB2 H 0.990 0.030 2 575 57 57 LEU HB3 H 1.686 0.030 2 576 57 57 LEU HD1 H 0.600 0.030 1 577 57 57 LEU HD2 H 0.699 0.030 1 578 57 57 LEU HG H 1.584 0.030 1 579 57 57 LEU C C 176.376 0.300 1 580 57 57 LEU CA C 53.790 0.300 1 581 57 57 LEU CB C 44.428 0.300 1 582 57 57 LEU CD1 C 23.550 0.300 2 583 57 57 LEU CD2 C 26.190 0.300 2 584 57 57 LEU CG C 26.417 0.300 1 585 57 57 LEU N N 120.201 0.300 1 586 58 58 GLN H H 8.204 0.030 1 587 58 58 GLN HA H 4.421 0.030 1 588 58 58 GLN HB2 H 0.296 0.030 2 589 58 58 GLN HB3 H 1.343 0.030 2 590 58 58 GLN HE21 H 7.175 0.030 2 591 58 58 GLN HE22 H 6.696 0.030 2 592 58 58 GLN HG2 H 1.808 0.030 2 593 58 58 GLN HG3 H 1.957 0.030 2 594 58 58 GLN C C 173.306 0.300 1 595 58 58 GLN CA C 52.946 0.300 1 596 58 58 GLN CB C 31.930 0.300 1 597 58 58 GLN CG C 32.503 0.300 1 598 58 58 GLN N N 118.280 0.300 1 599 58 58 GLN NE2 N 112.250 0.300 1 600 59 59 ILE H H 8.333 0.030 1 601 59 59 ILE HA H 4.894 0.030 1 602 59 59 ILE HB H 1.510 0.030 1 603 59 59 ILE HD1 H 0.662 0.030 1 604 59 59 ILE HG12 H 1.393 0.030 2 605 59 59 ILE HG13 H 0.673 0.030 2 606 59 59 ILE HG2 H 0.657 0.030 1 607 59 59 ILE C C 174.056 0.300 1 608 59 59 ILE CA C 59.349 0.300 1 609 59 59 ILE CB C 40.235 0.300 1 610 59 59 ILE CD1 C 14.445 0.300 1 611 59 59 ILE CG1 C 27.326 0.300 1 612 59 59 ILE CG2 C 17.542 0.300 1 613 59 59 ILE N N 118.336 0.300 1 614 60 60 ARG H H 9.545 0.030 1 615 60 60 ARG HA H 5.482 0.030 1 616 60 60 ARG HB2 H 1.504 0.030 2 617 60 60 ARG HB3 H 2.011 0.030 2 618 60 60 ARG HD2 H 3.008 0.030 2 619 60 60 ARG HD3 H 3.085 0.030 2 620 60 60 ARG HG2 H 1.536 0.030 2 621 60 60 ARG HG3 H 1.370 0.030 2 622 60 60 ARG C C 174.201 0.300 1 623 60 60 ARG CA C 53.931 0.300 1 624 60 60 ARG CB C 35.302 0.300 1 625 60 60 ARG CD C 44.144 0.300 1 626 60 60 ARG CG C 26.871 0.300 1 627 60 60 ARG N N 127.757 0.300 1 628 61 61 TYR H H 9.240 0.030 1 629 61 61 TYR HA H 5.160 0.030 1 630 61 61 TYR HB2 H 2.521 0.030 2 631 61 61 TYR HB3 H 2.909 0.030 2 632 61 61 TYR HD1 H 7.162 0.030 1 633 61 61 TYR HD2 H 7.162 0.030 1 634 61 61 TYR HE1 H 6.931 0.030 1 635 61 61 TYR HE2 H 6.931 0.030 1 636 61 61 TYR C C 174.732 0.300 1 637 61 61 TYR CA C 55.408 0.300 1 638 61 61 TYR CB C 42.291 0.300 1 639 61 61 TYR CD1 C 132.760 0.300 1 640 61 61 TYR CD2 C 132.760 0.300 1 641 61 61 TYR CE1 C 117.906 0.300 1 642 61 61 TYR CE2 C 117.906 0.300 1 643 61 61 TYR N N 125.394 0.300 1 644 62 62 SER H H 9.396 0.030 1 645 62 62 SER HA H 3.750 0.030 1 646 62 62 SER HB2 H 2.841 0.030 2 647 62 62 SER HB3 H 3.766 0.030 2 648 62 62 SER C C 175.337 0.300 1 649 62 62 SER CA C 57.751 0.300 1 650 62 62 SER CB C 62.553 0.300 1 651 62 62 SER N N 126.156 0.300 1 652 63 63 GLY H H 8.666 0.030 1 653 63 63 GLY HA2 H 3.459 0.030 2 654 63 63 GLY HA3 H 4.174 0.030 2 655 63 63 GLY C C 173.645 0.300 1 656 63 63 GLY CA C 45.206 0.300 1 657 63 63 GLY N N 103.765 0.300 1 658 64 64 LYS H H 8.004 0.030 1 659 64 64 LYS HA H 4.625 0.030 1 660 64 64 LYS HB2 H 1.791 0.030 2 661 64 64 LYS HB3 H 1.863 0.030 2 662 64 64 LYS HD2 H 1.770 0.030 2 663 64 64 LYS HD3 H 1.872 0.030 2 664 64 64 LYS HE2 H 3.073 0.030 2 665 64 64 LYS HG2 H 1.448 0.030 2 666 64 64 LYS HG3 H 1.499 0.030 2 667 64 64 LYS C C 175.035 0.300 1 668 64 64 LYS CA C 54.810 0.300 1 669 64 64 LYS CB C 34.684 0.300 1 670 64 64 LYS CD C 29.358 0.300 1 671 64 64 LYS CE C 42.022 0.300 1 672 64 64 LYS CG C 24.601 0.300 1 673 64 64 LYS N N 122.029 0.300 1 674 65 65 ILE H H 8.620 0.030 1 675 65 65 ILE HA H 4.596 0.030 1 676 65 65 ILE HB H 1.957 0.030 1 677 65 65 ILE HD1 H 0.897 0.030 1 678 65 65 ILE HG12 H 1.450 0.030 2 679 65 65 ILE HG13 H 1.637 0.030 2 680 65 65 ILE HG2 H 0.877 0.030 1 681 65 65 ILE C C 176.908 0.300 1 682 65 65 ILE CA C 59.560 0.300 1 683 65 65 ILE CB C 36.333 0.300 1 684 65 65 ILE CD1 C 10.895 0.300 1 685 65 65 ILE CG1 C 27.326 0.300 1 686 65 65 ILE CG2 C 17.853 0.300 1 687 65 65 ILE N N 123.615 0.300 1 688 66 66 LEU H H 8.704 0.030 1 689 66 66 LEU HA H 4.409 0.030 1 690 66 66 LEU HB2 H 1.205 0.030 2 691 66 66 LEU HB3 H 1.509 0.030 2 692 66 66 LEU HD1 H 0.524 0.030 1 693 66 66 LEU HD2 H 0.202 0.030 1 694 66 66 LEU HG H 1.534 0.030 1 695 66 66 LEU C C 176.231 0.300 1 696 66 66 LEU CA C 53.966 0.300 1 697 66 66 LEU CB C 41.879 0.300 1 698 66 66 LEU CD1 C 25.282 0.300 2 699 66 66 LEU CD2 C 20.742 0.300 2 700 66 66 LEU CG C 26.417 0.300 1 701 66 66 LEU N N 128.918 0.300 1 702 67 67 LYS H H 8.502 0.030 1 703 67 67 LYS HA H 4.515 0.030 1 704 67 67 LYS HB2 H 1.671 0.030 2 705 67 67 LYS HB3 H 2.152 0.030 2 706 67 67 LYS HD2 H 1.801 0.030 1 707 67 67 LYS HD3 H 1.801 0.030 1 708 67 67 LYS HE2 H 3.078 0.030 1 709 67 67 LYS HE3 H 3.078 0.030 1 710 67 67 LYS HG2 H 1.463 0.030 2 711 67 67 LYS HG3 H 1.638 0.030 2 712 67 67 LYS C C 177.585 0.300 1 713 67 67 LYS CA C 55.444 0.300 1 714 67 67 LYS CB C 34.173 0.300 1 715 67 67 LYS CD C 28.779 0.300 1 716 67 67 LYS CE C 42.353 0.300 1 717 67 67 LYS CG C 25.468 0.300 1 718 67 67 LYS N N 122.517 0.300 1 719 68 68 ASN H H 8.518 0.030 1 720 68 68 ASN HA H 4.114 0.030 1 721 68 68 ASN HB2 H 2.651 0.030 2 722 68 68 ASN HB3 H 2.875 0.030 2 723 68 68 ASN HD21 H 7.617 0.030 1 724 68 68 ASN HD22 H 7.617 0.030 1 725 68 68 ASN C C 175.385 0.300 1 726 68 68 ASN CA C 54.986 0.300 1 727 68 68 ASN CB C 38.547 0.300 1 728 68 68 ASN N N 117.110 0.300 1 729 68 68 ASN ND2 N 111.182 0.300 1 730 69 69 ASN H H 8.081 0.030 1 731 69 69 ASN HA H 4.829 0.030 1 732 69 69 ASN HB2 H 2.826 0.030 2 733 69 69 ASN HB3 H 3.051 0.030 2 734 69 69 ASN HD21 H 6.909 0.030 2 735 69 69 ASN HD22 H 7.614 0.030 2 736 69 69 ASN C C 174.926 0.300 1 737 69 69 ASN CA C 52.875 0.300 1 738 69 69 ASN CB C 37.846 0.300 1 739 69 69 ASN N N 111.158 0.300 1 740 69 69 ASN ND2 N 112.610 0.300 1 741 70 70 GLU H H 7.597 0.030 1 742 70 70 GLU HA H 4.869 0.030 1 743 70 70 GLU HB2 H 2.068 0.030 2 744 70 70 GLU HB3 H 2.519 0.030 2 745 70 70 GLU C C 174.394 0.300 1 746 70 70 GLU CA C 55.197 0.300 1 747 70 70 GLU CB C 31.866 0.300 1 748 70 70 GLU N N 119.604 0.300 1 749 71 71 THR H H 7.658 0.030 1 750 71 71 THR HA H 4.783 0.030 1 751 71 71 THR HB H 5.168 0.030 1 752 71 71 THR HG2 H 0.973 0.030 1 753 71 71 THR C C 175.385 0.300 1 754 71 71 THR CA C 58.856 0.300 1 755 71 71 THR CB C 71.480 0.300 1 756 71 71 THR CG2 C 21.423 0.300 1 757 71 71 THR N N 106.765 0.300 1 758 72 72 LEU H H 9.762 0.030 1 759 72 72 LEU HA H 4.147 0.030 1 760 72 72 LEU HB2 H 1.205 0.030 2 761 72 72 LEU HB3 H 1.837 0.030 2 762 72 72 LEU HD1 H 0.451 0.030 1 763 72 72 LEU HD2 H 0.780 0.030 1 764 72 72 LEU HG H 2.208 0.030 1 765 72 72 LEU C C 181.018 0.300 1 766 72 72 LEU CA C 58.328 0.300 1 767 72 72 LEU CB C 40.317 0.300 1 768 72 72 LEU CD1 C 21.025 0.300 2 769 72 72 LEU CD2 C 26.367 0.300 2 770 72 72 LEU CG C 26.190 0.300 1 771 72 72 LEU N N 120.298 0.300 1 772 73 73 VAL H H 8.968 0.030 1 773 73 73 VAL HA H 4.433 0.030 1 774 73 73 VAL HB H 1.951 0.030 1 775 73 73 VAL HG1 H 1.066 0.030 1 776 73 73 VAL HG2 H 1.011 0.030 1 777 73 73 VAL C C 180.075 0.300 1 778 73 73 VAL CA C 65.118 0.300 1 779 73 73 VAL CB C 31.519 0.300 1 780 73 73 VAL CG1 C 22.514 0.300 2 781 73 73 VAL CG2 C 20.406 0.300 2 782 73 73 VAL N N 121.409 0.300 1 783 74 74 GLN H H 7.588 0.030 1 784 74 74 GLN HA H 4.126 0.030 1 785 74 74 GLN HB2 H 2.012 0.030 2 786 74 74 GLN HB3 H 2.337 0.030 2 787 74 74 GLN HE21 H 6.938 0.030 2 788 74 74 GLN HE22 H 7.415 0.030 2 789 74 74 GLN HG2 H 2.222 0.030 2 790 74 74 GLN HG3 H 2.419 0.030 2 791 74 74 GLN C C 176.981 0.300 1 792 74 74 GLN CA C 58.188 0.300 1 793 74 74 GLN CB C 28.600 0.300 1 794 74 74 GLN CG C 34.363 0.300 1 795 74 74 GLN N N 122.677 0.300 1 796 74 74 GLN NE2 N 110.516 0.300 1 797 75 75 HIS H H 7.562 0.030 1 798 75 75 HIS HA H 4.651 0.030 1 799 75 75 HIS HB2 H 2.852 0.030 2 800 75 75 HIS HB3 H 3.678 0.030 2 801 75 75 HIS HD2 H 7.228 0.030 1 802 75 75 HIS HE1 H 7.823 0.030 1 803 75 75 HIS C C 175.434 0.300 1 804 75 75 HIS CA C 56.816 0.300 1 805 75 75 HIS CB C 31.653 0.300 1 806 75 75 HIS CD2 C 117.561 0.300 1 807 75 75 HIS CE1 C 139.317 0.300 1 808 75 75 HIS N N 117.531 0.300 1 809 76 76 GLY H H 7.910 0.030 1 810 76 76 GLY HA2 H 4.289 0.030 2 811 76 76 GLY HA3 H 3.824 0.030 2 812 76 76 GLY C C 173.645 0.300 1 813 76 76 GLY CA C 46.050 0.300 1 814 76 76 GLY N N 107.902 0.300 1 815 77 77 VAL H H 7.477 0.030 1 816 77 77 VAL HA H 3.981 0.030 1 817 77 77 VAL HB H 1.540 0.030 1 818 77 77 VAL HG1 H 0.783 0.030 1 819 77 77 VAL C C 174.757 0.300 1 820 77 77 VAL CA C 63.008 0.300 1 821 77 77 VAL CB C 31.916 0.300 1 822 77 77 VAL CG1 C 21.877 0.300 2 823 77 77 VAL N N 122.758 0.300 1 824 78 78 LYS H H 8.282 0.030 1 825 78 78 LYS HB2 H 1.884 0.030 2 826 78 78 LYS HB3 H 1.550 0.030 2 827 78 78 LYS HG2 H 1.462 0.030 2 828 78 78 LYS HG3 H 1.569 0.030 2 829 78 78 LYS C C 173.664 0.300 1 830 78 78 LYS CA C 53.122 0.300 1 831 78 78 LYS CB C 32.547 0.300 1 832 78 78 LYS CG C 24.828 0.300 1 833 78 78 LYS N N 126.110 0.300 1 834 79 79 PRO HA H 3.880 0.030 1 835 79 79 PRO HB2 H 1.870 0.030 2 836 79 79 PRO HB3 H 2.295 0.030 2 837 79 79 PRO HD2 H 3.598 0.030 2 838 79 79 PRO HD3 H 3.808 0.030 2 839 79 79 PRO HG2 H 2.229 0.030 2 840 79 79 PRO HG3 H 1.801 0.030 2 841 79 79 PRO C C 176.642 0.300 1 842 79 79 PRO CA C 64.063 0.300 1 843 79 79 PRO CB C 31.930 0.300 1 844 79 79 PRO CD C 50.309 0.300 1 845 79 79 PRO CG C 28.613 0.300 1 846 80 80 GLN H H 9.035 0.030 1 847 80 80 GLN HA H 3.955 0.030 1 848 80 80 GLN HB2 H 2.326 0.030 2 849 80 80 GLN HB3 H 2.513 0.030 2 850 80 80 GLN HG2 H 2.331 0.030 2 851 80 80 GLN HG3 H 2.404 0.030 2 852 80 80 GLN C C 175.506 0.300 1 853 80 80 GLN CA C 58.504 0.300 1 854 80 80 GLN CB C 26.893 0.300 1 855 80 80 GLN CG C 35.152 0.300 1 856 80 80 GLN N N 113.173 0.300 1 857 81 81 GLU H H 7.645 0.030 1 858 81 81 GLU HA H 4.330 0.030 1 859 81 81 GLU HB2 H 2.001 0.030 2 860 81 81 GLU HB3 H 2.260 0.030 2 861 81 81 GLU HG2 H 2.206 0.030 2 862 81 81 GLU HG3 H 2.392 0.030 2 863 81 81 GLU C C 174.757 0.300 1 864 81 81 GLU CA C 57.203 0.300 1 865 81 81 GLU CB C 31.519 0.300 1 866 81 81 GLU CG C 37.995 0.300 1 867 81 81 GLU N N 120.763 0.300 1 868 82 82 ILE H H 8.230 0.030 1 869 82 82 ILE HA H 5.058 0.030 1 870 82 82 ILE HB H 1.763 0.030 1 871 82 82 ILE HD1 H 0.939 0.030 1 872 82 82 ILE HG12 H 0.986 0.030 2 873 82 82 ILE HG13 H 1.663 0.030 2 874 82 82 ILE HG2 H 0.837 0.030 1 875 82 82 ILE C C 176.521 0.300 1 876 82 82 ILE CA C 60.545 0.300 1 877 82 82 ILE CB C 38.919 0.300 1 878 82 82 ILE CD1 C 14.046 0.300 1 879 82 82 ILE CG1 C 28.007 0.300 1 880 82 82 ILE CG2 C 17.688 0.300 1 881 82 82 ILE N N 121.089 0.300 1 882 83 83 VAL H H 8.891 0.030 1 883 83 83 VAL HA H 4.742 0.030 1 884 83 83 VAL HB H 2.047 0.030 1 885 83 83 VAL HG1 H 0.683 0.030 1 886 83 83 VAL HG2 H 0.834 0.030 1 887 83 83 VAL C C 172.823 0.300 1 888 83 83 VAL CA C 59.278 0.300 1 889 83 83 VAL CB C 35.302 0.300 1 890 83 83 VAL CG1 C 20.465 0.300 2 891 83 83 VAL CG2 C 21.877 0.300 2 892 83 83 VAL N N 124.754 0.300 1 893 84 84 GLN H H 8.741 0.030 1 894 84 84 GLN HA H 5.638 0.030 1 895 84 84 GLN HB2 H 2.014 0.030 2 896 84 84 GLN HB3 H 2.146 0.030 2 897 84 84 GLN HE21 H 6.931 0.030 2 898 84 84 GLN HE22 H 7.681 0.030 2 899 84 84 GLN HG2 H 2.351 0.030 2 900 84 84 GLN HG3 H 2.216 0.030 2 901 84 84 GLN C C 175.627 0.300 1 902 84 84 GLN CA C 54.529 0.300 1 903 84 84 GLN CB C 31.355 0.300 1 904 84 84 GLN CG C 34.904 0.300 1 905 84 84 GLN N N 125.335 0.300 1 906 84 84 GLN NE2 N 113.407 0.300 1 907 85 85 VAL H H 8.959 0.030 1 908 85 85 VAL HA H 5.205 0.030 1 909 85 85 VAL HB H 2.094 0.030 1 910 85 85 VAL HG1 H 0.640 0.030 1 911 85 85 VAL HG2 H 0.514 0.030 1 912 85 85 VAL C C 174.128 0.300 1 913 85 85 VAL CA C 58.610 0.300 1 914 85 85 VAL CB C 34.659 0.300 1 915 85 85 VAL CG1 C 20.969 0.300 2 916 85 85 VAL CG2 C 20.278 0.300 2 917 85 85 VAL N N 118.941 0.300 1 918 86 86 GLU H H 9.040 0.030 1 919 86 86 GLU HA H 5.469 0.030 1 920 86 86 GLU HB2 H 2.001 0.030 2 921 86 86 GLU HB3 H 2.071 0.030 2 922 86 86 GLU HG2 H 2.241 0.030 1 923 86 86 GLU HG3 H 2.241 0.030 1 924 86 86 GLU C C 175.699 0.300 1 925 86 86 GLU CA C 54.494 0.300 1 926 86 86 GLU CB C 33.164 0.300 1 927 86 86 GLU CG C 36.633 0.300 1 928 86 86 GLU N N 119.619 0.300 1 929 87 87 ILE H H 8.606 0.030 1 930 87 87 ILE HA H 5.399 0.030 1 931 87 87 ILE HB H 1.154 0.030 1 932 87 87 ILE HD1 H 0.153 0.030 1 933 87 87 ILE HG12 H 0.837 0.030 2 934 87 87 ILE HG13 H 1.298 0.030 2 935 87 87 ILE HG2 H 0.565 0.030 1 936 87 87 ILE C C 172.847 0.300 1 937 87 87 ILE CA C 59.560 0.300 1 938 87 87 ILE CB C 41.174 0.300 1 939 87 87 ILE CD1 C 13.743 0.300 1 940 87 87 ILE CG1 C 28.303 0.300 1 941 87 87 ILE CG2 C 17.207 0.300 1 942 87 87 ILE N N 120.430 0.300 1 943 88 88 PHE H H 8.057 0.030 1 944 88 88 PHE HA H 5.187 0.030 1 945 88 88 PHE HB2 H 2.860 0.030 2 946 88 88 PHE HB3 H 3.210 0.030 2 947 88 88 PHE HD1 H 6.829 0.030 1 948 88 88 PHE HD2 H 6.829 0.030 1 949 88 88 PHE HE1 H 7.006 0.030 1 950 88 88 PHE HE2 H 7.006 0.030 1 951 88 88 PHE HZ H 7.118 0.030 1 952 88 88 PHE C C 172.025 0.300 1 953 88 88 PHE CA C 54.564 0.300 1 954 88 88 PHE CB C 41.962 0.300 1 955 88 88 PHE CD1 C 132.378 0.300 1 956 88 88 PHE CD2 C 132.378 0.300 1 957 88 88 PHE CE1 C 130.870 0.300 1 958 88 88 PHE CE2 C 130.870 0.300 1 959 88 88 PHE CZ C 129.670 0.300 1 960 88 88 PHE N N 120.395 0.300 1 961 89 89 SER H H 8.892 0.030 1 962 89 89 SER HA H 5.341 0.030 1 963 89 89 SER HB2 H 3.892 0.030 1 964 89 89 SER HB3 H 3.892 0.030 1 965 89 89 SER C C 176.739 0.300 1 966 89 89 SER CA C 54.423 0.300 1 967 89 89 SER CB C 66.135 0.300 1 968 89 89 SER N N 112.629 0.300 1 969 90 90 THR H H 9.337 0.030 1 970 90 90 THR HA H 4.456 0.030 1 971 90 90 THR HB H 4.638 0.030 1 972 90 90 THR HG2 H 1.286 0.030 1 973 90 90 THR C C 174.805 0.300 1 974 90 90 THR CA C 62.621 0.300 1 975 90 90 THR CB C 69.013 0.300 1 976 90 90 THR CG2 C 22.785 0.300 1 977 90 90 THR N N 116.849 0.300 1 978 91 91 ASN H H 8.200 0.030 1 979 91 91 ASN HA H 5.139 0.030 1 980 91 91 ASN HB2 H 2.767 0.030 2 981 91 91 ASN HB3 H 3.140 0.030 2 982 91 91 ASN HD21 H 7.950 0.030 2 983 91 91 ASN HD22 H 6.917 0.030 2 984 91 91 ASN C C 171.580 0.300 1 985 91 91 ASN CA C 50.624 0.300 1 986 91 91 ASN CB C 38.709 0.300 1 987 91 91 ASN N N 117.034 0.300 1 988 91 91 ASN ND2 N 111.709 0.300 1 989 92 92 PRO HA H 4.163 0.030 1 990 92 92 PRO HB2 H 2.057 0.030 2 991 92 92 PRO HB3 H 2.471 0.030 2 992 92 92 PRO HD2 H 3.818 0.030 2 993 92 92 PRO HD3 H 3.437 0.030 2 994 92 92 PRO HG2 H 2.050 0.030 2 995 92 92 PRO C C 176.304 0.300 1 996 92 92 PRO CA C 64.204 0.300 1 997 92 92 PRO CB C 32.547 0.300 1 998 92 92 PRO CD C 50.434 0.300 1 999 92 92 PRO CG C 27.041 0.300 1 1000 93 93 ASP H H 7.823 0.030 1 1001 93 93 ASP HA H 4.376 0.030 1 1002 93 93 ASP HB2 H 2.628 0.030 1 1003 93 93 ASP HB3 H 2.628 0.030 1 1004 93 93 ASP C C 176.618 0.300 1 1005 93 93 ASP CA C 56.745 0.300 1 1006 93 93 ASP CB C 40.646 0.300 1 1007 93 93 ASP N N 116.244 0.300 1 1008 94 94 LEU H H 6.784 0.030 1 1009 94 94 LEU HA H 4.157 0.030 1 1010 94 94 LEU HB2 H 0.840 0.030 2 1011 94 94 LEU HB3 H 1.106 0.030 2 1012 94 94 LEU HD1 H 0.772 0.030 1 1013 94 94 LEU HD2 H 0.697 0.030 1 1014 94 94 LEU HG H 0.994 0.030 1 1015 94 94 LEU C C 176.255 0.300 1 1016 94 94 LEU CA C 55.338 0.300 1 1017 94 94 LEU CB C 44.675 0.300 1 1018 94 94 LEU CD1 C 24.033 0.300 2 1019 94 94 LEU CD2 C 23.920 0.300 2 1020 94 94 LEU CG C 26.644 0.300 1 1021 94 94 LEU N N 117.379 0.300 1 1022 95 95 TYR H H 8.170 0.030 1 1023 95 95 TYR HA H 5.089 0.030 1 1024 95 95 TYR HB2 H 3.076 0.030 2 1025 95 95 TYR HB3 H 2.731 0.030 2 1026 95 95 TYR HD1 H 7.196 0.030 1 1027 95 95 TYR HD2 H 7.196 0.030 1 1028 95 95 TYR HE1 H 6.856 0.030 1 1029 95 95 TYR HE2 H 6.856 0.030 1 1030 95 95 TYR C C 171.217 0.300 1 1031 95 95 TYR CA C 54.283 0.300 1 1032 95 95 TYR CB C 40.266 0.300 1 1033 95 95 TYR CD1 C 134.022 0.300 1 1034 95 95 TYR CD2 C 134.022 0.300 1 1035 95 95 TYR CE1 C 118.226 0.300 1 1036 95 95 TYR CE2 C 118.226 0.300 1 1037 95 95 TYR N N 115.512 0.300 1 1038 96 96 PRO HA H 4.844 0.030 1 1039 96 96 PRO HB2 H 1.728 0.030 2 1040 96 96 PRO HB3 H 2.432 0.030 2 1041 96 96 PRO HD2 H 3.159 0.030 2 1042 96 96 PRO HD3 H 3.580 0.030 2 1043 96 96 PRO HG2 H 1.964 0.030 2 1044 96 96 PRO HG3 H 2.022 0.030 2 1045 96 96 PRO C C 177.972 0.300 1 1046 96 96 PRO CA C 62.726 0.300 1 1047 96 96 PRO CB C 31.602 0.300 1 1048 96 96 PRO CD C 49.802 0.300 1 1049 96 96 PRO CG C 26.710 0.300 1 1050 97 97 VAL H H 9.413 0.030 1 1051 97 97 VAL HA H 3.787 0.030 1 1052 97 97 VAL HB H 2.297 0.030 1 1053 97 97 VAL HG1 H 0.861 0.030 1 1054 97 97 VAL HG2 H 1.004 0.030 1 1055 97 97 VAL C C 174.491 0.300 1 1056 97 97 VAL CA C 63.887 0.300 1 1057 97 97 VAL CB C 32.013 0.300 1 1058 97 97 VAL CG1 C 23.012 0.300 2 1059 97 97 VAL CG2 C 22.558 0.300 2 1060 97 97 VAL N N 123.145 0.300 1 1061 98 98 ARG H H 7.429 0.030 1 1062 98 98 ARG HA H 4.585 0.030 1 1063 98 98 ARG HB2 H 1.916 0.030 2 1064 98 98 ARG HB3 H 1.748 0.030 2 1065 98 98 ARG HD2 H 3.231 0.030 1 1066 98 98 ARG HD3 H 3.231 0.030 1 1067 98 98 ARG HG2 H 1.569 0.030 2 1068 98 98 ARG HG3 H 1.635 0.030 2 1069 98 98 ARG C C 173.862 0.300 1 1070 98 98 ARG CA C 53.860 0.300 1 1071 98 98 ARG CB C 33.001 0.300 1 1072 98 98 ARG CD C 43.512 0.300 1 1073 98 98 ARG CG C 27.326 0.300 1 1074 98 98 ARG N N 126.302 0.300 1 1075 99 99 ARG H H 8.085 0.030 1 1076 99 99 ARG HA H 4.146 0.030 1 1077 99 99 ARG HB2 H 1.662 0.030 1 1078 99 99 ARG HB3 H 1.662 0.030 1 1079 99 99 ARG HD2 H 3.219 0.030 1 1080 99 99 ARG HD3 H 3.219 0.030 1 1081 99 99 ARG HG2 H 1.382 0.030 2 1082 99 99 ARG HG3 H 1.569 0.030 2 1083 99 99 ARG C C 176.908 0.300 1 1084 99 99 ARG CA C 56.851 0.300 1 1085 99 99 ARG CB C 31.185 0.300 1 1086 99 99 ARG CD C 43.217 0.300 1 1087 99 99 ARG CG C 28.448 0.300 1 1088 99 99 ARG N N 116.353 0.300 1 1089 100 100 ILE H H 9.652 0.030 1 1090 100 100 ILE HA H 4.241 0.030 1 1091 100 100 ILE HB H 1.795 0.030 1 1092 100 100 ILE HD1 H 0.896 0.030 1 1093 100 100 ILE HG12 H 1.683 0.030 2 1094 100 100 ILE HG13 H 1.029 0.030 2 1095 100 100 ILE HG2 H 0.920 0.030 1 1096 100 100 ILE C C 176.425 0.300 1 1097 100 100 ILE CA C 60.686 0.300 1 1098 100 100 ILE CB C 39.330 0.300 1 1099 100 100 ILE CD1 C 14.619 0.300 1 1100 100 100 ILE CG1 C 26.871 0.300 1 1101 100 100 ILE CG2 C 18.102 0.300 1 1102 100 100 ILE N N 125.159 0.300 1 1103 101 101 ASP H H 8.668 0.030 1 1104 101 101 ASP HA H 4.725 0.030 1 1105 101 101 ASP HB2 H 2.604 0.030 2 1106 101 101 ASP HB3 H 2.715 0.030 2 1107 101 101 ASP C C 176.691 0.300 1 1108 101 101 ASP CA C 54.705 0.300 1 1109 101 101 ASP CB C 42.208 0.300 1 1110 101 101 ASP N N 127.368 0.300 1 1111 102 102 GLY H H 8.420 0.030 1 1112 102 102 GLY HA2 H 3.943 0.030 2 1113 102 102 GLY HA3 H 3.991 0.030 2 1114 102 102 GLY C C 174.539 0.300 1 1115 102 102 GLY CA C 45.909 0.300 1 1116 102 102 GLY N N 108.384 0.300 1 1117 103 103 LEU H H 8.055 0.030 1 1118 103 103 LEU HA H 4.479 0.030 1 1119 103 103 LEU HB2 H 1.664 0.030 1 1120 103 103 LEU HB3 H 1.664 0.030 1 1121 103 103 LEU HD1 H 0.957 0.030 1 1122 103 103 LEU HD2 H 0.902 0.030 1 1123 103 103 LEU C C 177.658 0.300 1 1124 103 103 LEU CA C 55.127 0.300 1 1125 103 103 LEU CB C 42.208 0.300 1 1126 103 103 LEU CD1 C 25.963 0.300 2 1127 103 103 LEU CD2 C 23.466 0.300 2 1128 103 103 LEU CG C 26.958 0.300 1 1129 103 103 LEU N N 120.879 0.300 1 1130 104 104 THR H H 8.194 0.030 1 1131 104 104 THR HA H 4.381 0.030 1 1132 104 104 THR HB H 4.289 0.030 1 1133 104 104 THR HG2 H 1.230 0.030 1 1134 104 104 THR C C 174.394 0.300 1 1135 104 104 THR CA C 62.234 0.300 1 1136 104 104 THR CB C 70.000 0.300 1 1137 104 104 THR CG2 C 21.661 0.300 1 1138 104 104 THR N N 114.776 0.300 1 1139 105 105 ASP H H 8.403 0.030 1 1140 105 105 ASP HA H 4.733 0.030 1 1141 105 105 ASP HB2 H 2.732 0.030 2 1142 105 105 ASP HB3 H 2.696 0.030 2 1143 105 105 ASP C C 176.763 0.300 1 1144 105 105 ASP CA C 54.599 0.300 1 1145 105 105 ASP CB C 41.304 0.300 1 1146 105 105 ASP N N 122.194 0.300 1 1147 106 106 VAL H H 8.152 0.030 1 1148 106 106 VAL HA H 4.218 0.030 1 1149 106 106 VAL HB H 2.206 0.030 1 1150 106 106 VAL HG1 H 0.968 0.030 1 1151 106 106 VAL HG2 H 0.957 0.030 1 1152 106 106 VAL C C 176.401 0.300 1 1153 106 106 VAL CA C 62.675 0.300 1 1154 106 106 VAL CB C 32.259 0.300 1 1155 106 106 VAL CG1 C 21.330 0.300 2 1156 106 106 VAL CG2 C 20.288 0.300 2 1157 106 106 VAL N N 119.619 0.300 1 1158 107 107 SER H H 8.385 0.030 1 1159 107 107 SER HA H 4.225 0.030 1 1160 107 107 SER HB2 H 3.951 0.030 1 1161 107 107 SER HB3 H 3.951 0.030 1 1162 107 107 SER CA C 59.419 0.300 1 1163 107 107 SER CB C 63.833 0.300 1 1164 107 107 SER N N 118.050 0.300 1 1165 108 108 GLN H H 8.063 0.030 1 1166 108 108 GLN HA H 4.406 0.030 1 1167 108 108 GLN HB2 H 2.150 0.030 2 1168 108 108 GLN HB3 H 1.978 0.030 2 1169 108 108 GLN HG2 H 2.337 0.030 2 1170 108 108 GLN CA C 55.760 0.300 1 1171 108 108 GLN CB C 29.382 0.300 1 1172 108 108 GLN CG C 33.911 0.300 1 1173 108 108 GLN N N 120.685 0.300 1 1174 109 109 ILE H H 8.429 0.030 1 1175 109 109 ILE HA H 4.098 0.030 1 1176 109 109 ILE HB H 1.791 0.030 1 1177 109 109 ILE HD1 H 0.808 0.030 1 1178 109 109 ILE HG12 H 1.422 0.030 2 1179 109 109 ILE HG2 H 0.841 0.030 1 1180 109 109 ILE C C 175.990 0.300 1 1181 109 109 ILE CA C 61.249 0.300 1 1182 109 109 ILE CB C 38.590 0.300 1 1183 109 109 ILE CD1 C 13.135 0.300 1 1184 109 109 ILE CG2 C 17.522 0.300 1 1185 109 109 ILE N N 126.437 0.300 1 1186 110 110 ILE H H 8.293 0.030 1 1187 110 110 ILE HA H 4.208 0.030 1 1188 110 110 ILE HB H 1.867 0.030 1 1189 110 110 ILE HD1 H 0.808 0.030 1 1190 110 110 ILE HG2 H 0.851 0.030 1 1191 110 110 ILE CA C 61.073 0.300 1 1192 110 110 ILE CB C 38.449 0.300 1 1193 110 110 ILE CD1 C 13.053 0.300 1 1194 110 110 ILE CG2 C 17.688 0.300 1 1195 110 110 ILE N N 119.716 0.300 1 1196 111 111 THR H H 7.563 0.030 1 1197 111 111 THR HA H 4.283 0.030 1 1198 111 111 THR HB H 4.109 0.030 1 1199 111 111 THR HG2 H 1.081 0.030 1 1200 111 111 THR CA C 61.706 0.300 1 1201 111 111 THR CB C 69.588 0.300 1 1202 111 111 THR CG2 C 21.661 0.300 1 1203 111 111 THR N N 118.070 0.300 1 1204 112 112 VAL H H 7.550 0.030 1 1205 112 112 VAL HA H 4.253 0.030 1 1206 112 112 VAL HB H 2.007 0.030 1 1207 112 112 VAL HG1 H 0.790 0.030 1 1208 112 112 VAL HG2 H 0.790 0.030 1 1209 112 112 VAL C C 175.820 0.300 1 1210 112 112 VAL CA C 61.917 0.300 1 1211 112 112 VAL CB C 32.670 0.300 1 1212 112 112 VAL CG1 C 20.061 0.300 2 1213 112 112 VAL CG2 C 20.061 0.300 2 1214 112 112 VAL N N 126.037 0.300 1 1215 113 113 SER HA H 4.480 0.030 1 1216 113 113 SER HB2 H 3.847 0.030 1 1217 113 113 SER HB3 H 3.847 0.030 1 1218 113 113 SER C C 174.346 0.300 1 1219 113 113 SER CA C 58.258 0.300 1 1220 113 113 SER CB C 64.162 0.300 1 1221 114 114 GLY C C 171.702 0.300 1 1222 114 114 GLY CA C 44.537 0.300 1 stop_ save_