data_10054 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first cold-shock domain of the human KIAA0885 protein (UNR protein) ; _BMRB_accession_number 10054 _BMRB_flat_file_name bmr10054.str _Entry_type original _Submission_date 2006-11-29 _Accession_date 2006-11-30 _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 Goroncy A. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Tomizawa T. . . 5 Kobayashi N. . . 6 Tochio N. . . 7 Inoue M. . . 8 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" 505 "13C chemical shifts" 377 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the first cold-shock domain of the human KIAA0885 protein (UNR protein) ; _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 Goroncy A. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Tomizawa T. . . 5 Kobayashi N. . . 6 Tochio N. . . 7 Inoue M. . . 8 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 'UNR protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UNR protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'First cold-shock domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GSSGSSGGYPNGTSAALRET GVIEKLLTSYGFIQCSERQA RLFFHCSQYNGNLQDLKVGD DVEFEVSSDRRTGKPIAVKL VKISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 TYR 10 PRO 11 ASN 12 GLY 13 THR 14 SER 15 ALA 16 ALA 17 LEU 18 ARG 19 GLU 20 THR 21 GLY 22 VAL 23 ILE 24 GLU 25 LYS 26 LEU 27 LEU 28 THR 29 SER 30 TYR 31 GLY 32 PHE 33 ILE 34 GLN 35 CYS 36 SER 37 GLU 38 ARG 39 GLN 40 ALA 41 ARG 42 LEU 43 PHE 44 PHE 45 HIS 46 CYS 47 SER 48 GLN 49 TYR 50 ASN 51 GLY 52 ASN 53 LEU 54 GLN 55 ASP 56 LEU 57 LYS 58 VAL 59 GLY 60 ASP 61 ASP 62 VAL 63 GLU 64 PHE 65 GLU 66 VAL 67 SER 68 SER 69 ASP 70 ARG 71 ARG 72 THR 73 GLY 74 LYS 75 PRO 76 ILE 77 ALA 78 VAL 79 LYS 80 LEU 81 VAL 82 LYS 83 ILE 84 SER 85 GLY 86 PRO 87 SER 88 SER 89 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WFQ "Solution Structure Of The First Cold-Shock Domain Of The Human Kiaa0885 Protein (Unr Protein)" 100.00 89 100.00 100.00 1.29e-56 DBJ BAE01840 "unnamed protein product [Macaca fascicularis]" 58.43 86 100.00 100.00 2.42e-29 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' . . . . plasmid P040114-45 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.09 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address BRUKER . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'DELAGLIO, FRANK' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.14 loop_ _Vendor _Address _Electronic_address 'JOHNSON, BRUCE, A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.899 loop_ _Vendor _Address _Electronic_address 'KOBAYASHI, NAOHIRO' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'GUENTERT, P.' . . stop_ loop_ _Task refinement 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_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 0.1 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_ _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 'UNR 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 1 1 GLY HA2 H 3.928 0.030 1 2 1 1 GLY HA3 H 3.928 0.030 1 3 1 1 GLY CA C 43.484 0.300 1 4 2 2 SER HA H 4.496 0.030 1 5 2 2 SER HB2 H 3.926 0.030 1 6 2 2 SER HB3 H 3.926 0.030 1 7 2 2 SER C C 174.723 0.300 1 8 2 2 SER CA C 58.418 0.300 1 9 2 2 SER CB C 63.861 0.300 1 10 3 3 SER H H 8.362 0.030 1 11 3 3 SER HA H 4.473 0.030 1 12 3 3 SER C C 173.992 0.300 1 13 3 3 SER CA C 58.418 0.300 1 14 3 3 SER CB C 64.035 0.300 1 15 3 3 SER N N 117.970 0.300 1 16 4 4 GLY H H 7.733 0.030 1 17 4 4 GLY HA2 H 4.042 0.030 1 18 4 4 GLY HA3 H 4.042 0.030 1 19 4 4 GLY C C 174.433 0.300 1 20 4 4 GLY CA C 45.788 0.300 1 21 4 4 GLY N N 116.838 0.300 1 22 5 5 SER H H 8.109 0.030 1 23 5 5 SER HA H 4.428 0.030 1 24 5 5 SER HB2 H 4.274 0.030 1 25 5 5 SER HB3 H 4.274 0.030 1 26 5 5 SER C C 174.624 0.300 1 27 5 5 SER CA C 61.849 0.300 1 28 5 5 SER CB C 70.040 0.300 1 29 5 5 SER N N 113.442 0.300 1 30 6 6 SER H H 8.363 0.030 1 31 6 6 SER HA H 4.519 0.030 1 32 6 6 SER HB2 H 3.875 0.030 1 33 6 6 SER HB3 H 3.875 0.030 1 34 6 6 SER C C 174.974 0.300 1 35 6 6 SER CA C 58.453 0.300 1 36 6 6 SER CB C 63.748 0.300 1 37 6 6 SER N N 118.145 0.300 1 38 7 7 GLY H H 8.483 0.030 1 39 7 7 GLY HA2 H 3.970 0.030 1 40 7 7 GLY HA3 H 3.970 0.030 1 41 7 7 GLY C C 174.451 0.300 1 42 7 7 GLY CA C 45.416 0.300 1 43 7 7 GLY N N 111.063 0.300 1 44 8 8 GLY H H 8.161 0.030 1 45 8 8 GLY HA2 H 3.869 0.030 1 46 8 8 GLY HA3 H 3.869 0.030 1 47 8 8 GLY C C 173.490 0.300 1 48 8 8 GLY CA C 44.961 0.300 1 49 8 8 GLY N N 108.266 0.300 1 50 9 9 TYR H H 8.103 0.030 1 51 9 9 TYR HA H 4.838 0.030 1 52 9 9 TYR HB2 H 3.077 0.030 2 53 9 9 TYR HB3 H 2.834 0.030 2 54 9 9 TYR HD1 H 7.157 0.030 1 55 9 9 TYR HD2 H 7.157 0.030 1 56 9 9 TYR HE1 H 6.862 0.030 1 57 9 9 TYR HE2 H 6.862 0.030 1 58 9 9 TYR C C 174.454 0.300 1 59 9 9 TYR CA C 55.864 0.300 1 60 9 9 TYR CB C 38.294 0.300 1 61 9 9 TYR CD1 C 133.413 0.300 1 62 9 9 TYR CD2 C 133.413 0.300 1 63 9 9 TYR CE1 C 118.324 0.300 1 64 9 9 TYR CE2 C 118.324 0.300 1 65 9 9 TYR N N 120.720 0.300 1 66 10 10 PRO HA H 3.821 0.030 1 67 10 10 PRO HB2 H 1.930 0.030 2 68 10 10 PRO HB3 H 1.621 0.030 2 69 10 10 PRO HG2 H 1.673 0.030 2 70 10 10 PRO HG3 H 1.752 0.030 2 71 10 10 PRO HD2 H 3.370 0.030 2 72 10 10 PRO HD3 H 3.493 0.030 2 73 10 10 PRO C C 175.904 0.300 1 74 10 10 PRO CA C 63.160 0.300 1 75 10 10 PRO CB C 33.932 0.300 1 76 10 10 PRO CG C 24.412 0.300 1 77 10 10 PRO CD C 49.882 0.300 1 78 11 11 ASN H H 8.623 0.030 1 79 11 11 ASN HA H 4.705 0.030 1 80 11 11 ASN HB2 H 2.889 0.030 2 81 11 11 ASN HB3 H 2.832 0.030 2 82 11 11 ASN HD21 H 6.972 0.030 2 83 11 11 ASN HD22 H 7.643 0.030 2 84 11 11 ASN C C 175.798 0.300 1 85 11 11 ASN CA C 53.563 0.300 1 86 11 11 ASN CB C 39.018 0.300 1 87 11 11 ASN N N 120.910 0.300 1 88 11 11 ASN ND2 N 112.956 0.300 1 89 12 12 GLY H H 8.393 0.030 1 90 12 12 GLY HA2 H 4.029 0.030 1 91 12 12 GLY HA3 H 4.029 0.030 1 92 12 12 GLY C C 174.409 0.300 1 93 12 12 GLY CA C 45.524 0.300 1 94 12 12 GLY N N 109.460 0.300 1 95 13 13 THR H H 8.298 0.030 1 96 13 13 THR HA H 4.554 0.030 1 97 13 13 THR HB H 3.914 0.030 1 98 13 13 THR HG2 H 1.204 0.030 1 99 13 13 THR C C 174.926 0.300 1 100 13 13 THR CA C 58.295 0.300 1 101 13 13 THR CB C 63.959 0.300 1 102 13 13 THR CG2 C 21.515 0.300 1 103 13 13 THR N N 115.868 0.300 1 104 14 14 SER H H 8.473 0.030 1 105 14 14 SER HA H 4.448 0.030 1 106 14 14 SER HB2 H 3.869 0.030 1 107 14 14 SER HB3 H 3.869 0.030 1 108 14 14 SER C C 173.995 0.300 1 109 14 14 SER CA C 58.330 0.300 1 110 14 14 SER CB C 63.884 0.300 1 111 14 14 SER N N 117.970 0.300 1 112 15 15 ALA H H 8.261 0.030 1 113 15 15 ALA HA H 4.284 0.030 1 114 15 15 ALA HB H 1.348 0.030 1 115 15 15 ALA C C 177.142 0.300 1 116 15 15 ALA CA C 52.331 0.300 1 117 15 15 ALA CB C 19.584 0.300 1 118 15 15 ALA N N 126.057 0.300 1 119 16 16 ALA H H 8.168 0.030 1 120 16 16 ALA HA H 4.280 0.030 1 121 16 16 ALA HB H 1.349 0.030 1 122 16 16 ALA C C 177.223 0.300 1 123 16 16 ALA CA C 52.296 0.300 1 124 16 16 ALA CB C 19.566 0.300 1 125 16 16 ALA N N 123.469 0.300 1 126 17 17 LEU H H 8.290 0.030 1 127 17 17 LEU HA H 4.333 0.030 1 128 17 17 LEU HB2 H 1.637 0.030 1 129 17 17 LEU HB3 H 1.637 0.030 1 130 17 17 LEU HG H 1.603 0.030 1 131 17 17 LEU HD1 H 0.948 0.030 1 132 17 17 LEU HD2 H 0.886 0.030 1 133 17 17 LEU C C 176.611 0.300 1 134 17 17 LEU CA C 55.072 0.300 1 135 17 17 LEU CB C 42.277 0.300 1 136 17 17 LEU CG C 27.116 0.300 1 137 17 17 LEU CD1 C 24.774 0.300 2 138 17 17 LEU CD2 C 23.929 0.300 2 139 17 17 LEU N N 122.504 0.300 1 140 18 18 ARG H H 8.099 0.030 1 141 18 18 ARG HA H 4.752 0.030 1 142 18 18 ARG HB2 H 1.581 0.030 1 143 18 18 ARG HB3 H 1.581 0.030 1 144 18 18 ARG HG2 H 1.591 0.030 2 145 18 18 ARG HG3 H 1.642 0.030 2 146 18 18 ARG HD2 H 3.107 0.030 2 147 18 18 ARG HD3 H 3.215 0.030 2 148 18 18 ARG HE H 7.544 0.030 1 149 18 18 ARG C C 175.644 0.300 1 150 18 18 ARG CA C 54.179 0.300 1 151 18 18 ARG CB C 30.203 0.300 1 152 18 18 ARG CG C 26.464 0.300 1 153 18 18 ARG CD C 42.036 0.300 1 154 18 18 ARG N N 121.882 0.300 1 155 18 18 ARG NE N 83.196 0.300 1 156 19 19 GLU H H 8.687 0.030 1 157 19 19 GLU HA H 4.659 0.030 1 158 19 19 GLU HB2 H 1.865 0.030 2 159 19 19 GLU HB3 H 1.442 0.030 2 160 19 19 GLU HG2 H 1.793 0.030 2 161 19 19 GLU HG3 H 1.929 0.030 2 162 19 19 GLU C C 173.414 0.300 1 163 19 19 GLU CA C 54.460 0.300 1 164 19 19 GLU CB C 33.926 0.300 1 165 19 19 GLU CG C 36.325 0.300 1 166 19 19 GLU N N 121.687 0.300 1 167 20 20 THR H H 8.094 0.030 1 168 20 20 THR HA H 5.510 0.030 1 169 20 20 THR HB H 4.369 0.030 1 170 20 20 THR HG2 H 1.155 0.030 1 171 20 20 THR C C 176.532 0.300 1 172 20 20 THR CA C 60.142 0.300 1 173 20 20 THR CB C 73.058 0.300 1 174 20 20 THR CG2 C 22.360 0.300 1 175 20 20 THR N N 105.992 0.300 1 176 21 21 GLY H H 9.011 0.030 1 177 21 21 GLY HA2 H 4.972 0.030 2 178 21 21 GLY HA3 H 4.111 0.030 2 179 21 21 GLY C C 171.019 0.300 1 180 21 21 GLY CA C 46.175 0.300 1 181 21 21 GLY N N 108.577 0.300 1 182 22 22 VAL H H 8.574 0.030 1 183 22 22 VAL HA H 5.360 0.030 1 184 22 22 VAL HB H 1.846 0.030 1 185 22 22 VAL HG1 H 0.953 0.030 1 186 22 22 VAL HG2 H 0.894 0.030 1 187 22 22 VAL C C 176.359 0.300 1 188 22 22 VAL CA C 59.403 0.300 1 189 22 22 VAL CB C 36.242 0.300 1 190 22 22 VAL CG1 C 21.032 0.300 2 191 22 22 VAL CG2 C 21.153 0.300 2 192 22 22 VAL N N 118.617 0.300 1 193 23 23 ILE H H 8.736 0.030 1 194 23 23 ILE HA H 3.989 0.030 1 195 23 23 ILE HB H 2.374 0.030 1 196 23 23 ILE HG12 H 1.447 0.030 2 197 23 23 ILE HG13 H 1.333 0.030 2 198 23 23 ILE HG2 H 0.804 0.030 1 199 23 23 ILE HD1 H 0.507 0.030 1 200 23 23 ILE C C 175.689 0.300 1 201 23 23 ILE CA C 61.338 0.300 1 202 23 23 ILE CB C 35.638 0.300 1 203 23 23 ILE CG1 C 26.211 0.300 1 204 23 23 ILE CG2 C 18.154 0.300 1 205 23 23 ILE CD1 C 11.082 0.300 1 206 23 23 ILE N N 124.153 0.300 1 207 24 24 GLU H H 9.461 0.030 1 208 24 24 GLU HA H 4.484 0.030 1 209 24 24 GLU HB2 H 2.014 0.030 1 210 24 24 GLU HB3 H 2.014 0.030 1 211 24 24 GLU HG2 H 2.376 0.030 2 212 24 24 GLU HG3 H 2.163 0.030 2 213 24 24 GLU C C 175.221 0.300 1 214 24 24 GLU CA C 57.257 0.300 1 215 24 24 GLU CB C 32.620 0.300 1 216 24 24 GLU CG C 36.121 0.300 1 217 24 24 GLU N N 133.659 0.300 1 218 25 25 LYS H H 7.746 0.030 1 219 25 25 LYS HA H 4.445 0.030 1 220 25 25 LYS HB2 H 1.906 0.030 2 221 25 25 LYS HB3 H 1.749 0.030 2 222 25 25 LYS HG2 H 1.380 0.030 2 223 25 25 LYS HG3 H 1.494 0.030 2 224 25 25 LYS HD2 H 1.741 0.030 2 225 25 25 LYS HD3 H 1.670 0.030 2 226 25 25 LYS HE2 H 2.953 0.030 1 227 25 25 LYS HE3 H 2.953 0.030 1 228 25 25 LYS C C 173.540 0.300 1 229 25 25 LYS CA C 55.676 0.300 1 230 25 25 LYS CB C 37.157 0.300 1 231 25 25 LYS CG C 25.016 0.300 1 232 25 25 LYS CD C 29.240 0.300 1 233 25 25 LYS CE C 41.998 0.300 1 234 25 25 LYS N N 117.182 0.300 1 235 26 26 LEU H H 8.699 0.030 1 236 26 26 LEU HA H 4.443 0.030 1 237 26 26 LEU HB2 H 1.566 0.030 2 238 26 26 LEU HB3 H 1.244 0.030 2 239 26 26 LEU HG H 1.350 0.030 1 240 26 26 LEU HD1 H 0.729 0.030 1 241 26 26 LEU HD2 H 0.751 0.030 1 242 26 26 LEU C C 174.213 0.300 1 243 26 26 LEU CA C 55.314 0.300 1 244 26 26 LEU CB C 45.339 0.300 1 245 26 26 LEU CG C 26.826 0.300 1 246 26 26 LEU CD1 C 25.136 0.300 2 247 26 26 LEU CD2 C 25.860 0.300 2 248 26 26 LEU N N 125.572 0.300 1 249 27 27 LEU H H 8.449 0.030 1 250 27 27 LEU HA H 4.647 0.030 1 251 27 27 LEU HB2 H 1.596 0.030 2 252 27 27 LEU HB3 H 0.751 0.030 2 253 27 27 LEU HG H 1.493 0.030 1 254 27 27 LEU HD1 H 0.804 0.030 1 255 27 27 LEU HD2 H 0.804 0.030 1 256 27 27 LEU C C 176.207 0.300 1 257 27 27 LEU CA C 53.511 0.300 1 258 27 27 LEU CB C 40.185 0.300 1 259 27 27 LEU CG C 28.275 0.300 1 260 27 27 LEU CD1 C 24.653 0.300 1 261 27 27 LEU CD2 C 24.653 0.300 1 262 27 27 LEU N N 129.132 0.300 1 263 28 28 THR H H 7.704 0.030 1 264 28 28 THR HA H 3.868 0.030 1 265 28 28 THR HB H 4.273 0.030 1 266 28 28 THR HG2 H 1.256 0.030 1 267 28 28 THR C C 175.706 0.300 1 268 28 28 THR CA C 66.540 0.300 1 269 28 28 THR CB C 68.230 0.300 1 270 28 28 THR CG2 C 22.118 0.300 1 271 28 28 THR N N 112.788 0.300 1 272 29 29 SER H H 8.192 0.030 1 273 29 29 SER HA H 4.590 0.030 1 274 29 29 SER HB2 H 4.141 0.030 2 275 29 29 SER HB3 H 3.921 0.030 2 276 29 29 SER C C 173.773 0.300 1 277 29 29 SER CA C 58.295 0.300 1 278 29 29 SER CB C 64.850 0.300 1 279 29 29 SER N N 111.664 0.300 1 280 30 30 TYR H H 7.021 0.030 1 281 30 30 TYR HA H 4.511 0.030 1 282 30 30 TYR HB2 H 2.704 0.030 2 283 30 30 TYR HB3 H 2.349 0.030 2 284 30 30 TYR HD1 H 6.617 0.030 1 285 30 30 TYR HD2 H 6.617 0.030 1 286 30 30 TYR HE1 H 6.806 0.030 1 287 30 30 TYR HE2 H 6.806 0.030 1 288 30 30 TYR C C 171.124 0.300 1 289 30 30 TYR CA C 55.585 0.300 1 290 30 30 TYR CB C 40.346 0.300 1 291 30 30 TYR CD1 C 134.379 0.300 1 292 30 30 TYR CD2 C 134.379 0.300 1 293 30 30 TYR CE1 C 117.962 0.300 1 294 30 30 TYR CE2 C 117.962 0.300 1 295 30 30 TYR N N 119.911 0.300 1 296 31 31 GLY H H 7.299 0.030 1 297 31 31 GLY HA2 H 3.532 0.030 2 298 31 31 GLY HA3 H 3.352 0.030 2 299 31 31 GLY C C 169.567 0.300 1 300 31 31 GLY CA C 45.049 0.300 1 301 31 31 GLY N N 104.546 0.300 1 302 32 32 PHE H H 8.466 0.030 1 303 32 32 PHE HA H 5.686 0.030 1 304 32 32 PHE HB2 H 2.883 0.030 2 305 32 32 PHE HB3 H 2.677 0.030 2 306 32 32 PHE HD1 H 6.964 0.030 1 307 32 32 PHE HD2 H 6.964 0.030 1 308 32 32 PHE HE1 H 7.519 0.030 1 309 32 32 PHE HE2 H 7.519 0.030 1 310 32 32 PHE HZ H 7.527 0.030 1 311 32 32 PHE C C 175.839 0.300 1 312 32 32 PHE CA C 56.588 0.300 1 313 32 32 PHE CB C 44.570 0.300 1 314 32 32 PHE CD1 C 131.482 0.300 1 315 32 32 PHE CD2 C 131.482 0.300 1 316 32 32 PHE CE1 C 131.482 0.300 1 317 32 32 PHE CE2 C 131.482 0.300 1 318 32 32 PHE CZ C 129.912 0.300 1 319 32 32 PHE N N 111.986 0.300 1 320 33 33 ILE H H 9.722 0.030 1 321 33 33 ILE HA H 4.612 0.030 1 322 33 33 ILE HB H 1.228 0.030 1 323 33 33 ILE HG12 H 1.453 0.030 2 324 33 33 ILE HG13 H 0.327 0.030 2 325 33 33 ILE HG2 H 0.511 0.030 1 326 33 33 ILE HD1 H -0.281 0.030 1 327 33 33 ILE C C 175.853 0.300 1 328 33 33 ILE CA C 59.403 0.300 1 329 33 33 ILE CB C 43.484 0.300 1 330 33 33 ILE CG1 C 28.605 0.300 1 331 33 33 ILE CG2 C 17.894 0.300 1 332 33 33 ILE CD1 C 14.755 0.300 1 333 33 33 ILE N N 124.165 0.300 1 334 34 34 GLN H H 9.175 0.030 1 335 34 34 GLN HA H 4.868 0.030 1 336 34 34 GLN HB2 H 2.164 0.030 2 337 34 34 GLN HB3 H 1.979 0.030 2 338 34 34 GLN HG2 H 2.374 0.030 1 339 34 34 GLN HG3 H 2.374 0.030 1 340 34 34 GLN HE21 H 7.756 0.030 2 341 34 34 GLN HE22 H 6.716 0.030 2 342 34 34 GLN C C 176.216 0.300 1 343 34 34 GLN CA C 54.566 0.300 1 344 34 34 GLN CB C 29.240 0.300 1 345 34 34 GLN CG C 32.982 0.300 1 346 34 34 GLN N N 125.548 0.300 1 347 34 34 GLN NE2 N 110.854 0.300 1 348 35 35 CYS H H 8.845 0.030 1 349 35 35 CYS HA H 4.612 0.030 1 350 35 35 CYS HB2 H 3.787 0.030 2 351 35 35 CYS HB3 H 3.193 0.030 2 352 35 35 CYS C C 175.018 0.300 1 353 35 35 CYS CA C 62.235 0.300 1 354 35 35 CYS CB C 28.771 0.300 1 355 35 35 CYS N N 127.998 0.300 1 356 36 36 SER H H 9.073 0.030 1 357 36 36 SER HA H 4.693 0.030 1 358 36 36 SER HB2 H 3.906 0.030 2 359 36 36 SER HB3 H 3.965 0.030 2 360 36 36 SER C C 175.581 0.300 1 361 36 36 SER CA C 60.493 0.300 1 362 36 36 SER CB C 63.643 0.300 1 363 36 36 SER N N 118.214 0.300 1 364 37 37 GLU H H 9.014 0.030 1 365 37 37 GLU HA H 4.468 0.030 1 366 37 37 GLU HB2 H 2.328 0.030 2 367 37 37 GLU HB3 H 2.087 0.030 2 368 37 37 GLU HG2 H 2.287 0.030 2 369 37 37 GLU HG3 H 2.249 0.030 2 370 37 37 GLU C C 175.537 0.300 1 371 37 37 GLU CA C 57.004 0.300 1 372 37 37 GLU CB C 29.723 0.300 1 373 37 37 GLU CG C 36.818 0.300 1 374 37 37 GLU N N 120.022 0.300 1 375 38 38 ARG H H 7.674 0.030 1 376 38 38 ARG HA H 4.529 0.030 1 377 38 38 ARG HB2 H 2.080 0.030 2 378 38 38 ARG HB3 H 1.714 0.030 2 379 38 38 ARG HG2 H 1.610 0.030 2 380 38 38 ARG HG3 H 1.361 0.030 2 381 38 38 ARG HD2 H 3.182 0.030 2 382 38 38 ARG HD3 H 3.258 0.030 2 383 38 38 ARG HE H 9.030 0.030 1 384 38 38 ARG C C 174.233 0.300 1 385 38 38 ARG CA C 54.319 0.300 1 386 38 38 ARG CB C 31.954 0.300 1 387 38 38 ARG CG C 26.540 0.300 1 388 38 38 ARG CD C 43.484 0.300 1 389 38 38 ARG N N 115.098 0.300 1 390 38 38 ARG NE N 85.946 0.300 1 391 39 39 GLN H H 8.500 0.030 1 392 39 39 GLN HA H 4.574 0.030 1 393 39 39 GLN HB2 H 2.031 0.030 2 394 39 39 GLN HB3 H 2.120 0.030 2 395 39 39 GLN HG2 H 2.355 0.030 1 396 39 39 GLN HG3 H 2.355 0.030 1 397 39 39 GLN HE21 H 7.603 0.030 2 398 39 39 GLN HE22 H 6.853 0.030 2 399 39 39 GLN C C 175.230 0.300 1 400 39 39 GLN CA C 55.340 0.300 1 401 39 39 GLN CB C 27.708 0.300 1 402 39 39 GLN CG C 34.105 0.300 1 403 39 39 GLN N N 119.911 0.300 1 404 39 39 GLN NE2 N 112.633 0.300 1 405 40 40 ALA H H 8.239 0.030 1 406 40 40 ALA HA H 4.506 0.030 1 407 40 40 ALA HB H 1.392 0.030 1 408 40 40 ALA C C 174.453 0.300 1 409 40 40 ALA CA C 52.658 0.300 1 410 40 40 ALA CB C 21.515 0.300 1 411 40 40 ALA N N 125.068 0.300 1 412 41 41 ARG H H 8.440 0.030 1 413 41 41 ARG HA H 5.394 0.030 1 414 41 41 ARG HB2 H 1.738 0.030 1 415 41 41 ARG HB3 H 1.738 0.030 1 416 41 41 ARG HG2 H 1.529 0.030 2 417 41 41 ARG HG3 H 1.459 0.030 2 418 41 41 ARG HD2 H 2.873 0.030 2 419 41 41 ARG HD3 H 2.951 0.030 2 420 41 41 ARG HE H 8.231 0.030 1 421 41 41 ARG C C 176.201 0.300 1 422 41 41 ARG CA C 54.496 0.300 1 423 41 41 ARG CB C 32.379 0.300 1 424 41 41 ARG CG C 28.275 0.300 1 425 41 41 ARG CD C 43.484 0.300 1 426 41 41 ARG N N 123.146 0.300 1 427 41 41 ARG NE N 85.946 0.300 1 428 42 42 LEU H H 9.261 0.030 1 429 42 42 LEU HA H 5.016 0.030 1 430 42 42 LEU HB2 H 1.392 0.030 2 431 42 42 LEU HB3 H 1.252 0.030 2 432 42 42 LEU HG H 1.451 0.030 1 433 42 42 LEU HD1 H 0.714 0.030 1 434 42 42 LEU HD2 H 0.770 0.030 1 435 42 42 LEU C C 175.464 0.300 1 436 42 42 LEU CA C 53.528 0.300 1 437 42 42 LEU CB C 46.321 0.300 1 438 42 42 LEU CG C 27.309 0.300 1 439 42 42 LEU CD1 C 27.671 0.300 2 440 42 42 LEU CD2 C 25.016 0.300 2 441 42 42 LEU N N 125.921 0.300 1 442 43 43 PHE H H 8.725 0.030 1 443 43 43 PHE HA H 4.504 0.030 1 444 43 43 PHE HB2 H 3.130 0.030 2 445 43 43 PHE HB3 H 2.932 0.030 2 446 43 43 PHE HD1 H 6.762 0.030 1 447 43 43 PHE HD2 H 6.762 0.030 1 448 43 43 PHE HE1 H 6.431 0.030 1 449 43 43 PHE HE2 H 6.431 0.030 1 450 43 43 PHE HZ H 6.732 0.030 1 451 43 43 PHE C C 173.665 0.300 1 452 43 43 PHE CA C 57.556 0.300 1 453 43 43 PHE CB C 41.167 0.300 1 454 43 43 PHE CD1 C 131.361 0.300 1 455 43 43 PHE CD2 C 131.361 0.300 1 456 43 43 PHE CE1 C 131.240 0.300 1 457 43 43 PHE CE2 C 131.240 0.300 1 458 43 43 PHE CZ C 129.309 0.300 1 459 43 43 PHE N N 126.301 0.300 1 460 44 44 PHE H H 7.481 0.030 1 461 44 44 PHE HA H 4.976 0.030 1 462 44 44 PHE HB2 H 2.713 0.030 1 463 44 44 PHE HB3 H 2.713 0.030 1 464 44 44 PHE HD1 H 6.599 0.030 1 465 44 44 PHE HD2 H 6.599 0.030 1 466 44 44 PHE HE1 H 6.698 0.030 1 467 44 44 PHE HE2 H 6.698 0.030 1 468 44 44 PHE HZ H 6.660 0.030 1 469 44 44 PHE C C 171.585 0.300 1 470 44 44 PHE CA C 56.043 0.300 1 471 44 44 PHE CB C 43.457 0.300 1 472 44 44 PHE CD1 C 132.930 0.300 1 473 44 44 PHE CD2 C 132.930 0.300 1 474 44 44 PHE CE1 C 129.067 0.300 1 475 44 44 PHE CE2 C 129.067 0.300 1 476 44 44 PHE CZ C 128.343 0.300 1 477 44 44 PHE N N 121.528 0.300 1 478 45 45 HIS H H 9.471 0.030 1 479 45 45 HIS HA H 4.476 0.030 1 480 45 45 HIS HB2 H 3.130 0.030 2 481 45 45 HIS HB3 H 3.247 0.030 2 482 45 45 HIS HD2 H 7.323 0.030 1 483 45 45 HIS HE1 H 8.053 0.030 1 484 45 45 HIS C C 177.995 0.300 1 485 45 45 HIS CA C 56.483 0.300 1 486 45 45 HIS CB C 32.657 0.300 1 487 45 45 HIS CD2 C 119.290 0.300 1 488 45 45 HIS CE1 C 138.966 0.300 1 489 45 45 HIS N N 119.911 0.300 1 490 46 46 CYS H H 8.283 0.030 1 491 46 46 CYS HA H 4.014 0.030 1 492 46 46 CYS HB2 H 3.036 0.030 2 493 46 46 CYS HB3 H 2.816 0.030 2 494 46 46 CYS C C 175.793 0.300 1 495 46 46 CYS CA C 61.813 0.300 1 496 46 46 CYS CB C 26.826 0.300 1 497 46 46 CYS N N 124.564 0.300 1 498 47 47 SER H H 9.013 0.030 1 499 47 47 SER HA H 4.443 0.030 1 500 47 47 SER HB2 H 4.166 0.030 1 501 47 47 SER HB3 H 4.166 0.030 1 502 47 47 SER C C 175.755 0.300 1 503 47 47 SER CA C 60.494 0.300 1 504 47 47 SER CB C 62.677 0.300 1 505 47 47 SER N N 117.000 0.300 1 506 48 48 GLN H H 8.171 0.030 1 507 48 48 GLN HA H 4.365 0.030 1 508 48 48 GLN HB2 H 2.781 0.030 2 509 48 48 GLN HB3 H 2.458 0.030 2 510 48 48 GLN HG2 H 3.077 0.030 2 511 48 48 GLN HG3 H 2.640 0.030 2 512 48 48 GLN HE21 H 7.838 0.030 2 513 48 48 GLN HE22 H 7.012 0.030 2 514 48 48 GLN C C 174.735 0.300 1 515 48 48 GLN CA C 55.551 0.300 1 516 48 48 GLN CB C 28.275 0.300 1 517 48 48 GLN CG C 34.310 0.300 1 518 48 48 GLN N N 119.098 0.300 1 519 48 48 GLN NE2 N 114.897 0.300 1 520 49 49 TYR H H 7.888 0.030 1 521 49 49 TYR HA H 4.845 0.030 1 522 49 49 TYR HB2 H 3.160 0.030 2 523 49 49 TYR HB3 H 2.648 0.030 2 524 49 49 TYR HD1 H 6.810 0.030 1 525 49 49 TYR HD2 H 6.810 0.030 1 526 49 49 TYR HE1 H 6.542 0.030 1 527 49 49 TYR HE2 H 6.542 0.030 1 528 49 49 TYR C C 174.306 0.300 1 529 49 49 TYR CA C 57.099 0.300 1 530 49 49 TYR CB C 39.259 0.300 1 531 49 49 TYR CD1 C 132.809 0.300 1 532 49 49 TYR CD2 C 132.809 0.300 1 533 49 49 TYR CE1 C 118.083 0.300 1 534 49 49 TYR CE2 C 118.083 0.300 1 535 49 49 TYR N N 120.720 0.300 1 536 50 50 ASN H H 8.077 0.030 1 537 50 50 ASN HA H 4.653 0.030 1 538 50 50 ASN HB2 H 2.723 0.030 1 539 50 50 ASN HB3 H 2.723 0.030 1 540 50 50 ASN HD21 H 7.287 0.030 2 541 50 50 ASN HD22 H 6.797 0.030 2 542 50 50 ASN C C 173.765 0.300 1 543 50 50 ASN CA C 52.613 0.300 1 544 50 50 ASN CB C 37.784 0.300 1 545 50 50 ASN N N 127.836 0.300 1 546 50 50 ASN ND2 N 111.177 0.300 1 547 51 51 GLY H H 6.782 0.030 1 548 51 51 GLY HA2 H 3.933 0.030 2 549 51 51 GLY HA3 H 3.550 0.030 2 550 51 51 GLY C C 171.673 0.300 1 551 51 51 GLY CA C 44.433 0.300 1 552 51 51 GLY N N 108.913 0.300 1 553 52 52 ASN H H 8.625 0.030 1 554 52 52 ASN HA H 4.856 0.030 1 555 52 52 ASN HB2 H 3.013 0.030 2 556 52 52 ASN HB3 H 2.827 0.030 2 557 52 52 ASN HD21 H 6.999 0.030 2 558 52 52 ASN HD22 H 7.677 0.030 2 559 52 52 ASN C C 177.007 0.300 1 560 52 52 ASN CA C 52.525 0.300 1 561 52 52 ASN CB C 38.414 0.300 1 562 52 52 ASN N N 118.455 0.300 1 563 52 52 ASN ND2 N 112.633 0.300 1 564 53 53 LEU H H 9.227 0.030 1 565 53 53 LEU HA H 4.018 0.030 1 566 53 53 LEU HB2 H 1.830 0.030 2 567 53 53 LEU HB3 H 1.791 0.030 2 568 53 53 LEU HG H 1.828 0.030 1 569 53 53 LEU HD1 H 0.982 0.030 1 570 53 53 LEU HD2 H 0.957 0.030 1 571 53 53 LEU C C 178.168 0.300 1 572 53 53 LEU CA C 57.969 0.300 1 573 53 53 LEU CB C 42.022 0.300 1 574 53 53 LEU CG C 27.280 0.300 1 575 53 53 LEU CD1 C 24.171 0.300 2 576 53 53 LEU CD2 C 25.060 0.300 2 577 53 53 LEU N N 130.717 0.300 1 578 54 54 GLN H H 8.296 0.030 1 579 54 54 GLN HA H 4.138 0.030 1 580 54 54 GLN HB2 H 2.114 0.030 2 581 54 54 GLN HB3 H 2.047 0.030 2 582 54 54 GLN HG2 H 2.432 0.030 2 583 54 54 GLN HG3 H 2.466 0.030 2 584 54 54 GLN HE21 H 7.633 0.030 2 585 54 54 GLN HE22 H 6.888 0.030 2 586 54 54 GLN C C 176.311 0.300 1 587 54 54 GLN CA C 57.750 0.300 1 588 54 54 GLN CB C 28.148 0.300 1 589 54 54 GLN CG C 34.310 0.300 1 590 54 54 GLN N N 115.084 0.300 1 591 54 54 GLN NE2 N 112.471 0.300 1 592 55 55 ASP H H 7.816 0.030 1 593 55 55 ASP HA H 4.641 0.030 1 594 55 55 ASP HB2 H 2.853 0.030 2 595 55 55 ASP HB3 H 2.716 0.030 2 596 55 55 ASP C C 175.315 0.300 1 597 55 55 ASP CA C 54.355 0.300 1 598 55 55 ASP CB C 41.862 0.300 1 599 55 55 ASP N N 117.279 0.300 1 600 56 56 LEU H H 7.365 0.030 1 601 56 56 LEU HA H 4.359 0.030 1 602 56 56 LEU HB2 H 1.505 0.030 2 603 56 56 LEU HB3 H 1.089 0.030 2 604 56 56 LEU HG H 1.152 0.030 1 605 56 56 LEU HD1 H 0.496 0.030 1 606 56 56 LEU HD2 H 0.136 0.030 1 607 56 56 LEU C C 174.481 0.300 1 608 56 56 LEU CA C 54.442 0.300 1 609 56 56 LEU CB C 43.416 0.300 1 610 56 56 LEU CG C 26.458 0.300 1 611 56 56 LEU CD1 C 23.084 0.300 2 612 56 56 LEU CD2 C 23.567 0.300 2 613 56 56 LEU N N 122.761 0.300 1 614 57 57 LYS H H 8.695 0.030 1 615 57 57 LYS HA H 4.571 0.030 1 616 57 57 LYS HB2 H 1.678 0.030 1 617 57 57 LYS HB3 H 1.678 0.030 1 618 57 57 LYS HG2 H 1.253 0.030 2 619 57 57 LYS HG3 H 1.398 0.030 2 620 57 57 LYS HD2 H 1.644 0.030 1 621 57 57 LYS HD3 H 1.644 0.030 1 622 57 57 LYS HE2 H 3.008 0.030 1 623 57 57 LYS HE3 H 3.008 0.030 1 624 57 57 LYS C C 176.231 0.300 1 625 57 57 LYS CA C 53.986 0.300 1 626 57 57 LYS CB C 35.930 0.300 1 627 57 57 LYS CG C 23.929 0.300 1 628 57 57 LYS CD C 28.878 0.300 1 629 57 57 LYS CE C 42.327 0.300 1 630 57 57 LYS N N 123.146 0.300 1 631 58 58 VAL H H 8.292 0.030 1 632 58 58 VAL HA H 3.287 0.030 1 633 58 58 VAL HB H 1.868 0.030 1 634 58 58 VAL HG1 H 0.961 0.030 1 635 58 58 VAL HG2 H 0.961 0.030 1 636 58 58 VAL C C 177.468 0.300 1 637 58 58 VAL CA C 65.401 0.300 1 638 58 58 VAL CB C 31.389 0.300 1 639 58 58 VAL CG1 C 23.251 0.300 2 640 58 58 VAL CG2 C 21.278 0.300 2 641 58 58 VAL N N 120.280 0.300 1 642 59 59 GLY H H 9.141 0.030 1 643 59 59 GLY HA2 H 4.484 0.030 2 644 59 59 GLY HA3 H 3.484 0.030 2 645 59 59 GLY C C 174.212 0.300 1 646 59 59 GLY CA C 44.609 0.300 1 647 59 59 GLY N N 116.484 0.300 1 648 60 60 ASP H H 8.013 0.030 1 649 60 60 ASP HA H 4.635 0.030 1 650 60 60 ASP HB2 H 2.845 0.030 2 651 60 60 ASP HB3 H 2.426 0.030 2 652 60 60 ASP C C 175.674 0.300 1 653 60 60 ASP CA C 55.392 0.300 1 654 60 60 ASP CB C 40.798 0.300 1 655 60 60 ASP N N 121.528 0.300 1 656 61 61 ASP H H 8.442 0.030 1 657 61 61 ASP HA H 5.310 0.030 1 658 61 61 ASP HB2 H 2.647 0.030 1 659 61 61 ASP HB3 H 2.647 0.030 1 660 61 61 ASP C C 176.158 0.300 1 661 61 61 ASP CA C 54.372 0.300 1 662 61 61 ASP CB C 42.271 0.300 1 663 61 61 ASP N N 120.357 0.300 1 664 62 62 VAL H H 8.930 0.030 1 665 62 62 VAL HA H 5.310 0.030 1 666 62 62 VAL HB H 2.043 0.030 1 667 62 62 VAL HG1 H 0.703 0.030 1 668 62 62 VAL HG2 H 0.601 0.030 1 669 62 62 VAL C C 172.950 0.300 1 670 62 62 VAL CA C 58.717 0.300 1 671 62 62 VAL CB C 36.830 0.300 1 672 62 62 VAL CG1 C 22.018 0.300 2 673 62 62 VAL CG2 C 17.989 0.300 2 674 62 62 VAL N N 114.745 0.300 1 675 63 63 GLU H H 9.115 0.030 1 676 63 63 GLU HA H 5.240 0.030 1 677 63 63 GLU HB2 H 1.857 0.030 1 678 63 63 GLU HB3 H 1.857 0.030 1 679 63 63 GLU HG2 H 2.098 0.030 2 680 63 63 GLU HG3 H 2.039 0.030 2 681 63 63 GLU C C 174.586 0.300 1 682 63 63 GLU CA C 53.739 0.300 1 683 63 63 GLU CB C 34.621 0.300 1 684 63 63 GLU CG C 38.052 0.300 1 685 63 63 GLU N N 122.175 0.300 1 686 64 64 PHE H H 8.390 0.030 1 687 64 64 PHE HA H 5.112 0.030 1 688 64 64 PHE HB2 H 3.205 0.030 2 689 64 64 PHE HB3 H 2.868 0.030 2 690 64 64 PHE HD1 H 6.596 0.030 1 691 64 64 PHE HD2 H 6.596 0.030 1 692 64 64 PHE HE1 H 6.823 0.030 1 693 64 64 PHE HE2 H 6.823 0.030 1 694 64 64 PHE HZ H 7.226 0.030 1 695 64 64 PHE C C 172.022 0.300 1 696 64 64 PHE CA C 56.483 0.300 1 697 64 64 PHE CB C 40.266 0.300 1 698 64 64 PHE CD1 C 131.964 0.300 1 699 64 64 PHE CD2 C 131.964 0.300 1 700 64 64 PHE CE1 C 130.757 0.300 1 701 64 64 PHE CE2 C 130.757 0.300 1 702 64 64 PHE CZ C 130.395 0.300 1 703 64 64 PHE N N 121.367 0.300 1 704 65 65 GLU H H 8.722 0.030 1 705 65 65 GLU HA H 4.996 0.030 1 706 65 65 GLU HB2 H 1.961 0.030 1 707 65 65 GLU HB3 H 1.961 0.030 1 708 65 65 GLU HG2 H 2.124 0.030 2 709 65 65 GLU HG3 H 2.068 0.030 2 710 65 65 GLU C C 174.980 0.300 1 711 65 65 GLU CA C 53.915 0.300 1 712 65 65 GLU CB C 33.380 0.300 1 713 65 65 GLU CG C 36.243 0.300 1 714 65 65 GLU N N 117.162 0.300 1 715 66 66 VAL H H 9.054 0.030 1 716 66 66 VAL HA H 4.763 0.030 1 717 66 66 VAL HB H 2.066 0.030 1 718 66 66 VAL HG1 H 1.054 0.030 1 719 66 66 VAL HG2 H 1.054 0.030 1 720 66 66 VAL C C 176.594 0.300 1 721 66 66 VAL CA C 62.886 0.300 1 722 66 66 VAL CB C 32.330 0.300 1 723 66 66 VAL CG1 C 22.840 0.300 2 724 66 66 VAL CG2 C 21.854 0.300 2 725 66 66 VAL N N 123.954 0.300 1 726 67 67 SER H H 9.136 0.030 1 727 67 67 SER HA H 4.833 0.030 1 728 67 67 SER HB2 H 3.787 0.030 2 729 67 67 SER HB3 H 3.496 0.030 2 730 67 67 SER C C 174.799 0.300 1 731 67 67 SER CA C 54.882 0.300 1 732 67 67 SER CB C 65.246 0.300 1 733 67 67 SER N N 123.292 0.300 1 734 68 68 SER H H 8.689 0.030 1 735 68 68 SER HA H 5.041 0.030 1 736 68 68 SER HB2 H 3.604 0.030 2 737 68 68 SER HB3 H 3.494 0.030 2 738 68 68 SER C C 173.701 0.300 1 739 68 68 SER CA C 56.993 0.300 1 740 68 68 SER CB C 65.091 0.300 1 741 68 68 SER N N 116.353 0.300 1 742 69 69 ASP H H 8.934 0.030 1 743 69 69 ASP HA H 4.566 0.030 1 744 69 69 ASP HB2 H 2.957 0.030 2 745 69 69 ASP HB3 H 2.566 0.030 2 746 69 69 ASP C C 177.799 0.300 1 747 69 69 ASP CA C 54.249 0.300 1 748 69 69 ASP CB C 42.966 0.300 1 749 69 69 ASP N N 125.572 0.300 1 750 70 70 ARG H H 8.971 0.030 1 751 70 70 ARG HA H 4.038 0.030 1 752 70 70 ARG HB2 H 1.905 0.030 1 753 70 70 ARG HB3 H 1.905 0.030 1 754 70 70 ARG HG2 H 1.728 0.030 1 755 70 70 ARG HG3 H 1.728 0.030 1 756 70 70 ARG HD2 H 3.240 0.030 1 757 70 70 ARG HD3 H 3.240 0.030 1 758 70 70 ARG HE H 8.265 0.030 1 759 70 70 ARG C C 177.374 0.300 1 760 70 70 ARG CA C 58.647 0.300 1 761 70 70 ARG CB C 30.059 0.300 1 762 70 70 ARG CG C 27.188 0.300 1 763 70 70 ARG CD C 43.067 0.300 1 764 70 70 ARG N N 127.998 0.300 1 765 70 70 ARG NE N 110.207 0.300 1 766 71 71 ARG H H 8.556 0.030 1 767 71 71 ARG HA H 4.292 0.030 1 768 71 71 ARG HB2 H 1.954 0.030 1 769 71 71 ARG HB3 H 1.954 0.030 1 770 71 71 ARG HG2 H 1.688 0.030 2 771 71 71 ARG HG3 H 1.573 0.030 2 772 71 71 ARG HD2 H 3.238 0.030 1 773 71 71 ARG HD3 H 3.238 0.030 1 774 71 71 ARG HE H 8.265 0.030 1 775 71 71 ARG C C 178.247 0.300 1 776 71 71 ARG CA C 58.418 0.300 1 777 71 71 ARG CB C 30.930 0.300 1 778 71 71 ARG CG C 27.550 0.300 1 779 71 71 ARG CD C 43.122 0.300 1 780 71 71 ARG N N 117.455 0.300 1 781 71 71 ARG NE N 110.207 0.300 1 782 72 72 THR H H 8.054 0.030 1 783 72 72 THR HA H 4.428 0.030 1 784 72 72 THR HB H 4.317 0.030 1 785 72 72 THR HG2 H 1.146 0.030 1 786 72 72 THR C C 176.536 0.300 1 787 72 72 THR CA C 61.953 0.300 1 788 72 72 THR CB C 71.368 0.300 1 789 72 72 THR CG2 C 21.153 0.300 1 790 72 72 THR N N 106.477 0.300 1 791 73 73 GLY H H 8.455 0.030 1 792 73 73 GLY HA2 H 4.191 0.030 2 793 73 73 GLY HA3 H 3.807 0.030 2 794 73 73 GLY C C 173.891 0.300 1 795 73 73 GLY CA C 45.778 0.300 1 796 73 73 GLY N N 111.339 0.300 1 797 74 74 LYS H H 7.641 0.030 1 798 74 74 LYS HA H 4.573 0.030 1 799 74 74 LYS HB2 H 1.836 0.030 2 800 74 74 LYS HB3 H 1.663 0.030 2 801 74 74 LYS HG2 H 1.441 0.030 1 802 74 74 LYS HG3 H 1.441 0.030 1 803 74 74 LYS HD2 H 1.629 0.030 1 804 74 74 LYS HD3 H 1.629 0.030 1 805 74 74 LYS HE2 H 2.903 0.030 1 806 74 74 LYS HE3 H 2.903 0.030 1 807 74 74 LYS C C 174.017 0.300 1 808 74 74 LYS CA C 54.589 0.300 1 809 74 74 LYS CB C 32.379 0.300 1 810 74 74 LYS CG C 24.854 0.300 1 811 74 74 LYS CD C 28.855 0.300 1 812 74 74 LYS CE C 42.234 0.300 1 813 74 74 LYS N N 121.205 0.300 1 814 75 75 PRO HA H 4.950 0.030 1 815 75 75 PRO HB2 H 2.220 0.030 2 816 75 75 PRO HB3 H 1.838 0.030 2 817 75 75 PRO HG2 H 2.182 0.030 2 818 75 75 PRO HG3 H 2.073 0.030 2 819 75 75 PRO HD2 H 3.697 0.030 2 820 75 75 PRO HD3 H 3.952 0.030 2 821 75 75 PRO C C 176.212 0.300 1 822 75 75 PRO CA C 62.992 0.300 1 823 75 75 PRO CB C 32.017 0.300 1 824 75 75 PRO CG C 27.691 0.300 1 825 75 75 PRO CD C 50.606 0.300 1 826 76 76 ILE H H 8.219 0.030 1 827 76 76 ILE HA H 5.017 0.030 1 828 76 76 ILE HB H 2.085 0.030 1 829 76 76 ILE HG12 H 1.241 0.030 2 830 76 76 ILE HG13 H 0.859 0.030 2 831 76 76 ILE HG2 H 0.992 0.030 1 832 76 76 ILE HD1 H 0.861 0.030 1 833 76 76 ILE C C 173.533 0.300 1 834 76 76 ILE CA C 59.901 0.300 1 835 76 76 ILE CB C 43.089 0.300 1 836 76 76 ILE CG1 C 25.981 0.300 1 837 76 76 ILE CG2 C 18.729 0.300 1 838 76 76 ILE CD1 C 13.910 0.300 1 839 76 76 ILE N N 116.688 0.300 1 840 77 77 ALA H H 8.685 0.030 1 841 77 77 ALA HA H 5.195 0.030 1 842 77 77 ALA HB H 0.787 0.030 1 843 77 77 ALA C C 175.951 0.300 1 844 77 77 ALA CA C 50.485 0.300 1 845 77 77 ALA CB C 21.756 0.300 1 846 77 77 ALA N N 124.440 0.300 1 847 78 78 VAL H H 9.176 0.030 1 848 78 78 VAL HA H 4.670 0.030 1 849 78 78 VAL HB H 2.385 0.030 1 850 78 78 VAL HG1 H 0.933 0.030 1 851 78 78 VAL HG2 H 0.776 0.030 1 852 78 78 VAL C C 174.602 0.300 1 853 78 78 VAL CA C 58.752 0.300 1 854 78 78 VAL CB C 36.012 0.300 1 855 78 78 VAL CG1 C 22.481 0.300 2 856 78 78 VAL CG2 C 18.976 0.300 2 857 78 78 VAL N N 112.123 0.300 1 858 79 79 LYS H H 9.127 0.030 1 859 79 79 LYS HA H 4.003 0.030 1 860 79 79 LYS HB2 H 1.798 0.030 2 861 79 79 LYS HB3 H 1.927 0.030 2 862 79 79 LYS HG2 H 1.468 0.030 1 863 79 79 LYS HG3 H 1.468 0.030 1 864 79 79 LYS HD2 H 1.706 0.030 1 865 79 79 LYS HD3 H 1.706 0.030 1 866 79 79 LYS HE2 H 3.017 0.030 2 867 79 79 LYS HE3 H 2.961 0.030 2 868 79 79 LYS C C 176.011 0.300 1 869 79 79 LYS CA C 57.366 0.300 1 870 79 79 LYS CB C 30.568 0.300 1 871 79 79 LYS CG C 25.740 0.300 1 872 79 79 LYS CD C 29.723 0.300 1 873 79 79 LYS CE C 42.409 0.300 1 874 79 79 LYS N N 117.323 0.300 1 875 80 80 LEU H H 8.094 0.030 1 876 80 80 LEU HA H 5.182 0.030 1 877 80 80 LEU HB2 H 1.515 0.030 2 878 80 80 LEU HB3 H 1.457 0.030 2 879 80 80 LEU HG H 1.302 0.030 1 880 80 80 LEU HD1 H -0.210 0.030 1 881 80 80 LEU HD2 H 0.430 0.030 1 882 80 80 LEU C C 177.729 0.300 1 883 80 80 LEU CA C 56.888 0.300 1 884 80 80 LEU CB C 45.900 0.300 1 885 80 80 LEU CG C 30.327 0.300 1 886 80 80 LEU CD1 C 26.458 0.300 2 887 80 80 LEU CD2 C 24.291 0.300 2 888 80 80 LEU N N 120.364 0.300 1 889 81 81 VAL H H 9.126 0.030 1 890 81 81 VAL HA H 4.454 0.030 1 891 81 81 VAL HB H 2.009 0.030 1 892 81 81 VAL HG1 H 0.868 0.030 1 893 81 81 VAL HG2 H 0.940 0.030 1 894 81 81 VAL C C 174.867 0.300 1 895 81 81 VAL CA C 60.617 0.300 1 896 81 81 VAL CB C 36.415 0.300 1 897 81 81 VAL CG1 C 20.791 0.300 2 898 81 81 VAL CG2 C 21.394 0.300 2 899 81 81 VAL N N 118.114 0.300 1 900 82 82 LYS H H 8.898 0.030 1 901 82 82 LYS HA H 4.695 0.030 1 902 82 82 LYS HB2 H 1.935 0.030 1 903 82 82 LYS HB3 H 1.935 0.030 1 904 82 82 LYS HG2 H 1.609 0.030 2 905 82 82 LYS HG3 H 1.356 0.030 2 906 82 82 LYS HD2 H 1.683 0.030 1 907 82 82 LYS HD3 H 1.683 0.030 1 908 82 82 LYS HE2 H 2.876 0.030 2 909 82 82 LYS HE3 H 2.986 0.030 2 910 82 82 LYS C C 176.600 0.300 1 911 82 82 LYS CA C 57.486 0.300 1 912 82 82 LYS CB C 33.465 0.300 1 913 82 82 LYS CG C 26.102 0.300 1 914 82 82 LYS CD C 29.723 0.300 1 915 82 82 LYS CE C 42.036 0.300 1 916 82 82 LYS N N 125.572 0.300 1 917 83 83 ILE H H 8.201 0.030 1 918 83 83 ILE HA H 4.396 0.030 1 919 83 83 ILE HB H 1.841 0.030 1 920 83 83 ILE HG12 H 1.332 0.030 2 921 83 83 ILE HG13 H 0.900 0.030 2 922 83 83 ILE HG2 H 0.874 0.030 1 923 83 83 ILE HD1 H 0.811 0.030 1 924 83 83 ILE C C 175.857 0.300 1 925 83 83 ILE CA C 60.866 0.300 1 926 83 83 ILE CB C 39.203 0.300 1 927 83 83 ILE CG1 C 26.951 0.300 1 928 83 83 ILE CG2 C 17.907 0.300 1 929 83 83 ILE CD1 C 13.302 0.300 1 930 83 83 ILE N N 123.578 0.300 1 931 84 84 SER H H 8.306 0.030 1 932 84 84 SER HA H 4.586 0.030 1 933 84 84 SER HB2 H 3.940 0.030 1 934 84 84 SER HB3 H 3.940 0.030 1 935 84 84 SER C C 174.088 0.300 1 936 84 84 SER CA C 58.331 0.300 1 937 84 84 SER CB C 64.125 0.300 1 938 84 84 SER N N 118.445 0.300 1 939 85 85 GLY H H 8.069 0.030 1 940 85 85 GLY HA2 H 3.795 0.030 1 941 85 85 GLY HA3 H 3.795 0.030 1 942 85 85 GLY C C 179.008 0.300 1 943 85 85 GLY CA C 46.245 0.300 1 944 85 85 GLY N N 116.838 0.300 1 945 86 86 PRO HA H 4.483 0.030 1 946 86 86 PRO HB2 H 2.310 0.030 2 947 86 86 PRO HB3 H 1.990 0.030 2 948 86 86 PRO HG2 H 2.028 0.030 1 949 86 86 PRO HG3 H 2.028 0.030 1 950 86 86 PRO HD2 H 3.635 0.030 1 951 86 86 PRO HD3 H 3.635 0.030 1 952 86 86 PRO C C 177.463 0.300 1 953 86 86 PRO CA C 63.273 0.300 1 954 86 86 PRO CB C 32.215 0.300 1 955 86 86 PRO CG C 27.188 0.300 1 956 86 86 PRO CD C 49.809 0.300 1 957 87 87 SER H H 8.579 0.030 1 958 87 87 SER HA H 4.479 0.030 1 959 87 87 SER HB2 H 3.918 0.030 1 960 87 87 SER HB3 H 3.918 0.030 1 961 87 87 SER C C 174.764 0.300 1 962 87 87 SER CA C 58.365 0.300 1 963 87 87 SER CB C 63.876 0.300 1 964 87 87 SER N N 116.293 0.300 1 965 88 88 SER H H 8.585 0.030 1 966 88 88 SER HA H 4.531 0.030 1 967 88 88 SER HB2 H 3.938 0.030 1 968 88 88 SER HB3 H 3.938 0.030 1 969 88 88 SER C C 175.079 0.300 1 970 88 88 SER CA C 58.576 0.300 1 971 88 88 SER CB C 63.820 0.300 1 972 88 88 SER N N 118.132 0.300 1 973 89 89 GLY H H 8.406 0.030 1 974 89 89 GLY HA2 H 3.970 0.030 1 975 89 89 GLY HA3 H 3.970 0.030 1 976 89 89 GLY C C 174.454 0.300 1 977 89 89 GLY CA C 45.471 0.300 1 978 89 89 GLY N N 110.739 0.300 1 stop_ save_