data_10093 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second CUT domain of human Homeobox protein Cux-2 ; _BMRB_accession_number 10093 _BMRB_flat_file_name bmr10093.str _Entry_type original _Submission_date 2007-01-24 _Accession_date 2007-01-24 _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 Nameki N. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Kigawa T. . . 5 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" 599 "13C chemical shifts" 432 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the second CUT domain of human Homeobox protein Cux-2' _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 Nameki N. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Kigawa T. . . 5 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 'Homeobox protein Cux-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Homeobox protein Cux-2' $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 'CUT domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSSGSSGQYELYMYREVDTL ELTRQVKEKLAKNGICQRIF GEKVLGLSQGSVSDMLSRPK PWSKLTQKGREPFIRMQLWL SDQLGQAVGQQPGASSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 TYR 10 GLU 11 LEU 12 TYR 13 MET 14 TYR 15 ARG 16 GLU 17 VAL 18 ASP 19 THR 20 LEU 21 GLU 22 LEU 23 THR 24 ARG 25 GLN 26 VAL 27 LYS 28 GLU 29 LYS 30 LEU 31 ALA 32 LYS 33 ASN 34 GLY 35 ILE 36 CYS 37 GLN 38 ARG 39 ILE 40 PHE 41 GLY 42 GLU 43 LYS 44 VAL 45 LEU 46 GLY 47 LEU 48 SER 49 GLN 50 GLY 51 SER 52 VAL 53 SER 54 ASP 55 MET 56 LEU 57 SER 58 ARG 59 PRO 60 LYS 61 PRO 62 TRP 63 SER 64 LYS 65 LEU 66 THR 67 GLN 68 LYS 69 GLY 70 ARG 71 GLU 72 PRO 73 PHE 74 ILE 75 ARG 76 MET 77 GLN 78 LEU 79 TRP 80 LEU 81 SER 82 ASP 83 GLN 84 LEU 85 GLY 86 GLN 87 ALA 88 VAL 89 GLY 90 GLN 91 GLN 92 PRO 93 GLY 94 ALA 95 SER 96 SER 97 GLY 98 PRO 99 SER 100 SER 101 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 1WH6 "Solution Structure Of The Second Cut Domain Of Human Homeobox Protein Cux-2" 100.00 101 100.00 100.00 1.06e-64 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 P040114-61 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 0.3 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Billeter, M.' . . 'Guntert, P.' . . 'Koradi, R.' . . 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 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated_NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated_NOESY' _Sample_label . 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 296 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 'Homeobox protein Cux-2' _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 4.011 0.030 1 2 1 1 GLY HA3 H 4.011 0.030 1 3 1 1 GLY C C 173.972 0.300 1 4 1 1 GLY CA C 45.441 0.300 1 5 2 2 SER H H 8.297 0.030 1 6 2 2 SER HA H 4.515 0.030 1 7 2 2 SER HB2 H 3.897 0.030 1 8 2 2 SER HB3 H 3.897 0.030 1 9 2 2 SER C C 174.645 0.300 1 10 2 2 SER CA C 58.423 0.300 1 11 2 2 SER CB C 64.007 0.300 1 12 2 2 SER N N 115.837 0.300 1 13 3 3 SER H H 8.338 0.030 1 14 3 3 SER HA H 4.492 0.030 1 15 3 3 SER HB2 H 3.885 0.030 1 16 3 3 SER HB3 H 3.885 0.030 1 17 3 3 SER C C 173.989 0.300 1 18 3 3 SER CA C 58.455 0.300 1 19 3 3 SER CB C 64.131 0.300 1 20 3 3 SER N N 117.869 0.300 1 21 4 4 GLY H H 8.054 0.030 1 22 4 4 GLY HA2 H 3.763 0.030 1 23 4 4 GLY HA3 H 3.763 0.030 1 24 4 4 GLY C C 179.004 0.300 1 25 4 4 GLY CA C 46.417 0.300 1 26 4 4 GLY N N 116.875 0.300 1 27 6 6 SER HA H 4.460 0.030 1 28 6 6 SER HB2 H 3.908 0.030 1 29 6 6 SER HB3 H 3.908 0.030 1 30 6 6 SER C C 175.022 0.300 1 31 6 6 SER CA C 58.885 0.300 1 32 6 6 SER CB C 63.719 0.300 1 33 7 7 GLY H H 8.484 0.030 1 34 7 7 GLY HA2 H 3.977 0.030 1 35 7 7 GLY HA3 H 3.977 0.030 1 36 7 7 GLY C C 173.989 0.300 1 37 7 7 GLY CA C 45.533 0.300 1 38 7 7 GLY N N 110.929 0.300 1 39 8 8 GLN H H 8.202 0.030 1 40 8 8 GLN HA H 4.205 0.030 1 41 8 8 GLN HB2 H 1.937 0.030 1 42 8 8 GLN HB3 H 1.937 0.030 1 43 8 8 GLN HG2 H 2.162 0.030 1 44 8 8 GLN HG3 H 2.162 0.030 1 45 8 8 GLN HE21 H 7.429 0.030 2 46 8 8 GLN HE22 H 6.835 0.030 2 47 8 8 GLN C C 176.188 0.300 1 48 8 8 GLN CA C 56.744 0.300 1 49 8 8 GLN CB C 29.257 0.300 1 50 8 8 GLN CG C 33.913 0.300 1 51 8 8 GLN N N 119.806 0.300 1 52 8 8 GLN NE2 N 112.091 0.300 1 53 9 9 TYR H H 8.220 0.030 1 54 9 9 TYR HA H 4.515 0.030 1 55 9 9 TYR HB2 H 2.956 0.030 2 56 9 9 TYR HB3 H 3.123 0.030 2 57 9 9 TYR HD1 H 7.049 0.030 1 58 9 9 TYR HD2 H 7.049 0.030 1 59 9 9 TYR HE1 H 6.760 0.030 1 60 9 9 TYR HE2 H 6.760 0.030 1 61 9 9 TYR C C 176.110 0.300 1 62 9 9 TYR CA C 58.611 0.300 1 63 9 9 TYR CB C 38.549 0.300 1 64 9 9 TYR CD1 C 133.036 0.300 1 65 9 9 TYR CD2 C 133.036 0.300 1 66 9 9 TYR CE1 C 118.145 0.300 1 67 9 9 TYR CE2 C 118.145 0.300 1 68 9 9 TYR N N 119.707 0.300 1 69 10 10 GLU H H 8.325 0.030 1 70 10 10 GLU HA H 4.112 0.030 1 71 10 10 GLU HB2 H 1.939 0.030 2 72 10 10 GLU HB3 H 2.010 0.030 2 73 10 10 GLU HG2 H 2.304 0.030 1 74 10 10 GLU HG3 H 2.304 0.030 1 75 10 10 GLU C C 177.244 0.300 1 76 10 10 GLU CA C 58.037 0.300 1 77 10 10 GLU CB C 29.942 0.300 1 78 10 10 GLU CG C 36.482 0.300 1 79 10 10 GLU N N 120.707 0.300 1 80 11 11 LEU H H 7.992 0.030 1 81 11 11 LEU HA H 4.156 0.030 1 82 11 11 LEU HB2 H 1.381 0.030 2 83 11 11 LEU HB3 H 1.567 0.030 2 84 11 11 LEU HG H 1.531 0.030 1 85 11 11 LEU HD1 H 0.869 0.030 1 86 11 11 LEU HD2 H 0.805 0.030 1 87 11 11 LEU C C 177.998 0.300 1 88 11 11 LEU CA C 56.428 0.300 1 89 11 11 LEU CB C 42.092 0.300 1 90 11 11 LEU CG C 27.052 0.300 1 91 11 11 LEU CD1 C 24.737 0.300 2 92 11 11 LEU CD2 C 23.911 0.300 2 93 11 11 LEU N N 120.126 0.300 1 94 12 12 TYR H H 7.879 0.030 1 95 12 12 TYR HA H 4.435 0.030 1 96 12 12 TYR HB2 H 2.937 0.030 2 97 12 12 TYR HB3 H 3.120 0.030 2 98 12 12 TYR HD1 H 7.075 0.030 1 99 12 12 TYR HD2 H 7.075 0.030 1 100 12 12 TYR HE1 H 6.763 0.030 1 101 12 12 TYR HE2 H 6.763 0.030 1 102 12 12 TYR C C 176.395 0.300 1 103 12 12 TYR CA C 58.568 0.300 1 104 12 12 TYR CB C 38.755 0.300 1 105 12 12 TYR CD1 C 133.090 0.300 1 106 12 12 TYR CD2 C 133.090 0.300 1 107 12 12 TYR CE1 C 118.244 0.300 1 108 12 12 TYR CE2 C 118.244 0.300 1 109 12 12 TYR N N 117.540 0.300 1 110 13 13 MET H H 7.788 0.030 1 111 13 13 MET HA H 4.251 0.030 1 112 13 13 MET HB2 H 1.840 0.030 2 113 13 13 MET HB3 H 1.737 0.030 2 114 13 13 MET HG2 H 2.239 0.030 1 115 13 13 MET HG3 H 2.239 0.030 1 116 13 13 MET HE H 1.995 0.030 1 117 13 13 MET C C 175.787 0.300 1 118 13 13 MET CA C 56.565 0.300 1 119 13 13 MET CB C 32.452 0.300 1 120 13 13 MET CG C 32.095 0.300 1 121 13 13 MET CE C 16.895 0.300 1 122 13 13 MET N N 119.357 0.300 1 123 14 14 TYR H H 7.904 0.030 1 124 14 14 TYR HA H 4.664 0.030 1 125 14 14 TYR HB2 H 2.863 0.030 2 126 14 14 TYR HB3 H 3.236 0.030 2 127 14 14 TYR HD1 H 7.142 0.030 1 128 14 14 TYR HD2 H 7.142 0.030 1 129 14 14 TYR HE1 H 6.816 0.030 1 130 14 14 TYR HE2 H 6.816 0.030 1 131 14 14 TYR C C 175.495 0.300 1 132 14 14 TYR CA C 57.624 0.300 1 133 14 14 TYR CB C 38.466 0.300 1 134 14 14 TYR CD1 C 133.361 0.300 1 135 14 14 TYR CD2 C 133.361 0.300 1 136 14 14 TYR CE1 C 118.300 0.300 1 137 14 14 TYR CE2 C 118.300 0.300 1 138 14 14 TYR N N 117.806 0.300 1 139 15 15 ARG H H 7.611 0.030 1 140 15 15 ARG HA H 4.320 0.030 1 141 15 15 ARG HB2 H 1.754 0.030 2 142 15 15 ARG HB3 H 1.665 0.030 2 143 15 15 ARG HG2 H 1.519 0.030 1 144 15 15 ARG HG3 H 1.519 0.030 1 145 15 15 ARG HD2 H 3.070 0.030 1 146 15 15 ARG HD3 H 3.070 0.030 1 147 15 15 ARG HE H 7.117 0.030 1 148 15 15 ARG C C 174.598 0.300 1 149 15 15 ARG CA C 55.650 0.300 1 150 15 15 ARG CB C 31.380 0.300 1 151 15 15 ARG CG C 27.036 0.300 1 152 15 15 ARG CD C 43.502 0.300 1 153 15 15 ARG N N 121.771 0.300 1 154 15 15 ARG NE N 84.597 0.300 1 155 16 16 GLU H H 8.143 0.030 1 156 16 16 GLU HA H 3.250 0.030 1 157 16 16 GLU HB2 H 1.705 0.030 1 158 16 16 GLU HB3 H 1.705 0.030 1 159 16 16 GLU HG2 H 2.032 0.030 1 160 16 16 GLU HG3 H 2.032 0.030 1 161 16 16 GLU C C 175.047 0.300 1 162 16 16 GLU CA C 56.633 0.300 1 163 16 16 GLU CB C 30.104 0.300 1 164 16 16 GLU CG C 35.876 0.300 1 165 16 16 GLU N N 121.212 0.300 1 166 17 17 VAL H H 5.353 0.030 1 167 17 17 VAL HA H 3.736 0.030 1 168 17 17 VAL HB H 0.645 0.030 1 169 17 17 VAL HG1 H 0.165 0.030 1 170 17 17 VAL HG2 H 0.379 0.030 1 171 17 17 VAL C C 173.978 0.300 1 172 17 17 VAL CA C 60.194 0.300 1 173 17 17 VAL CB C 34.305 0.300 1 174 17 17 VAL CG1 C 20.868 0.300 1 175 17 17 VAL CG2 C 20.868 0.300 1 176 18 18 ASP H H 8.361 0.030 1 177 18 18 ASP HA H 4.778 0.030 1 178 18 18 ASP HB2 H 2.554 0.030 2 179 18 18 ASP HB3 H 2.939 0.030 2 180 18 18 ASP C C 177.245 0.300 1 181 18 18 ASP CA C 52.581 0.300 1 182 18 18 ASP CB C 40.855 0.300 1 183 18 18 ASP N N 125.095 0.300 1 184 19 19 THR H H 8.764 0.030 1 185 19 19 THR HA H 3.771 0.030 1 186 19 19 THR HB H 3.968 0.030 1 187 19 19 THR HG2 H 0.890 0.030 1 188 19 19 THR C C 176.329 0.300 1 189 19 19 THR CA C 64.816 0.300 1 190 19 19 THR CB C 68.126 0.300 1 191 19 19 THR CG2 C 22.863 0.300 1 192 19 19 THR N N 117.398 0.300 1 193 20 20 LEU H H 7.963 0.030 1 194 20 20 LEU HA H 4.103 0.030 1 195 20 20 LEU HB2 H 1.887 0.030 2 196 20 20 LEU HB3 H 1.821 0.030 2 197 20 20 LEU HG H 1.615 0.030 1 198 20 20 LEU HD1 H 0.921 0.030 1 199 20 20 LEU HD2 H 0.935 0.030 1 200 20 20 LEU C C 178.727 0.300 1 201 20 20 LEU CA C 58.625 0.300 1 202 20 20 LEU CB C 41.291 0.300 1 203 20 20 LEU CG C 27.435 0.300 1 204 20 20 LEU CD1 C 24.856 0.300 2 205 20 20 LEU CD2 C 24.008 0.300 2 206 20 20 LEU N N 125.863 0.300 1 207 21 21 GLU H H 7.604 0.030 1 208 21 21 GLU HA H 4.247 0.030 1 209 21 21 GLU HB2 H 1.845 0.030 2 210 21 21 GLU HB3 H 1.954 0.030 2 211 21 21 GLU HG2 H 2.255 0.030 2 212 21 21 GLU HG3 H 2.329 0.030 2 213 21 21 GLU C C 178.630 0.300 1 214 21 21 GLU CA C 58.129 0.300 1 215 21 21 GLU CB C 29.362 0.300 1 216 21 21 GLU CG C 35.249 0.300 1 217 21 21 GLU N N 121.320 0.300 1 218 22 22 LEU H H 8.260 0.030 1 219 22 22 LEU HA H 4.251 0.030 1 220 22 22 LEU HB2 H 1.697 0.030 2 221 22 22 LEU HB3 H 1.852 0.030 2 222 22 22 LEU HG H 1.680 0.030 1 223 22 22 LEU HD1 H 0.978 0.030 1 224 22 22 LEU HD2 H 1.232 0.030 1 225 22 22 LEU C C 178.967 0.300 1 226 22 22 LEU CA C 58.357 0.300 1 227 22 22 LEU CB C 42.915 0.300 1 228 22 22 LEU CG C 27.641 0.300 1 229 22 22 LEU CD1 C 23.861 0.300 2 230 22 22 LEU CD2 C 27.767 0.300 2 231 22 22 LEU N N 119.303 0.300 1 232 23 23 THR H H 8.090 0.030 1 233 23 23 THR HA H 3.954 0.030 1 234 23 23 THR HB H 4.469 0.030 1 235 23 23 THR HG2 H 1.797 0.030 1 236 23 23 THR C C 177.051 0.300 1 237 23 23 THR CA C 66.599 0.300 1 238 23 23 THR CB C 69.198 0.300 1 239 23 23 THR CG2 C 23.528 0.300 1 240 23 23 THR N N 108.061 0.300 1 241 24 24 ARG H H 8.020 0.030 1 242 24 24 ARG HA H 4.001 0.030 1 243 24 24 ARG HB2 H 2.087 0.030 1 244 24 24 ARG HB3 H 2.087 0.030 1 245 24 24 ARG HG2 H 1.782 0.030 2 246 24 24 ARG HG3 H 1.539 0.030 2 247 24 24 ARG HD2 H 3.114 0.030 2 248 24 24 ARG HD3 H 3.294 0.030 2 249 24 24 ARG HE H 7.840 0.030 1 250 24 24 ARG C C 179.599 0.300 1 251 24 24 ARG CA C 60.637 0.300 1 252 24 24 ARG CB C 29.874 0.300 1 253 24 24 ARG CG C 27.352 0.300 1 254 24 24 ARG CD C 43.142 0.300 1 255 24 24 ARG N N 124.191 0.300 1 256 24 24 ARG NE N 83.219 0.300 1 257 25 25 GLN H H 8.245 0.030 1 258 25 25 GLN HA H 4.023 0.030 1 259 25 25 GLN HB2 H 2.164 0.030 2 260 25 25 GLN HB3 H 2.397 0.030 2 261 25 25 GLN HG2 H 2.725 0.030 2 262 25 25 GLN HG3 H 2.363 0.030 2 263 25 25 GLN HE21 H 7.701 0.030 2 264 25 25 GLN HE22 H 6.702 0.030 2 265 25 25 GLN C C 180.181 0.300 1 266 25 25 GLN CA C 59.470 0.300 1 267 25 25 GLN CB C 29.366 0.300 1 268 25 25 GLN CG C 34.584 0.300 1 269 25 25 GLN N N 118.874 0.300 1 270 25 25 GLN NE2 N 110.957 0.300 1 271 26 26 VAL H H 8.833 0.030 1 272 26 26 VAL HA H 3.805 0.030 1 273 26 26 VAL HB H 2.233 0.030 1 274 26 26 VAL HG1 H 0.606 0.030 1 275 26 26 VAL HG2 H 1.308 0.030 1 276 26 26 VAL C C 177.280 0.300 1 277 26 26 VAL CA C 67.200 0.300 1 278 26 26 VAL CB C 31.999 0.300 1 279 26 26 VAL CG1 C 21.699 0.300 2 280 26 26 VAL CG2 C 24.193 0.300 2 281 26 26 VAL N N 121.783 0.300 1 282 27 27 LYS H H 8.555 0.030 1 283 27 27 LYS HA H 3.794 0.030 1 284 27 27 LYS HB2 H 1.864 0.030 2 285 27 27 LYS HB3 H 2.022 0.030 2 286 27 27 LYS HG2 H 1.458 0.030 2 287 27 27 LYS HG3 H 1.744 0.030 2 288 27 27 LYS HD2 H 1.725 0.030 1 289 27 27 LYS HD3 H 1.725 0.030 1 290 27 27 LYS HE2 H 2.988 0.030 2 291 27 27 LYS HE3 H 2.896 0.030 2 292 27 27 LYS C C 179.769 0.300 1 293 27 27 LYS CA C 61.086 0.300 1 294 27 27 LYS CB C 32.040 0.300 1 295 27 27 LYS CG C 27.019 0.300 1 296 27 27 LYS CD C 29.430 0.300 1 297 27 27 LYS CE C 42.052 0.300 1 298 27 27 LYS N N 118.524 0.300 1 299 28 28 GLU H H 8.005 0.030 1 300 28 28 GLU HA H 4.148 0.030 1 301 28 28 GLU HB2 H 2.145 0.030 1 302 28 28 GLU HB3 H 2.145 0.030 1 303 28 28 GLU HG2 H 2.457 0.030 2 304 28 28 GLU HG3 H 2.239 0.030 2 305 28 28 GLU C C 178.457 0.300 1 306 28 28 GLU CA C 59.560 0.300 1 307 28 28 GLU CB C 29.630 0.300 1 308 28 28 GLU CG C 36.496 0.300 1 309 28 28 GLU N N 119.348 0.300 1 310 29 29 LYS H H 7.956 0.030 1 311 29 29 LYS HA H 4.114 0.030 1 312 29 29 LYS HB2 H 1.888 0.030 2 313 29 29 LYS HB3 H 2.065 0.030 2 314 29 29 LYS HG2 H 1.339 0.030 2 315 29 29 LYS HG3 H 1.220 0.030 2 316 29 29 LYS HD2 H 0.967 0.030 2 317 29 29 LYS HD3 H 1.422 0.030 2 318 29 29 LYS HE2 H 2.361 0.030 2 319 29 29 LYS HE3 H 2.570 0.030 2 320 29 29 LYS C C 179.489 0.300 1 321 29 29 LYS CA C 59.548 0.300 1 322 29 29 LYS CB C 32.001 0.300 1 323 29 29 LYS CG C 25.856 0.300 1 324 29 29 LYS CD C 29.458 0.300 1 325 29 29 LYS CE C 41.982 0.300 1 326 29 29 LYS N N 121.711 0.300 1 327 30 30 LEU H H 8.908 0.030 1 328 30 30 LEU HA H 4.034 0.030 1 329 30 30 LEU HB2 H 1.796 0.030 2 330 30 30 LEU HB3 H 1.687 0.030 2 331 30 30 LEU HG H 1.620 0.030 1 332 30 30 LEU HD1 H 0.169 0.030 1 333 30 30 LEU HD2 H 0.072 0.030 1 334 30 30 LEU C C 179.307 0.300 1 335 30 30 LEU CA C 58.747 0.300 1 336 30 30 LEU CB C 40.623 0.300 1 337 30 30 LEU CG C 25.606 0.300 1 338 30 30 LEU CD1 C 25.604 0.300 2 339 30 30 LEU CD2 C 22.614 0.300 2 340 30 30 LEU N N 120.014 0.300 1 341 31 31 ALA H H 7.755 0.030 1 342 31 31 ALA HA H 4.169 0.030 1 343 31 31 ALA HB H 1.524 0.030 1 344 31 31 ALA C C 181.444 0.300 1 345 31 31 ALA CA C 54.946 0.300 1 346 31 31 ALA CB C 18.025 0.300 1 347 31 31 ALA N N 119.716 0.300 1 348 32 32 LYS H H 8.232 0.030 1 349 32 32 LYS HA H 4.080 0.030 1 350 32 32 LYS HB2 H 1.964 0.030 2 351 32 32 LYS HB3 H 1.890 0.030 2 352 32 32 LYS HG2 H 1.483 0.030 2 353 32 32 LYS HG3 H 1.567 0.030 2 354 32 32 LYS HE2 H 2.981 0.030 1 355 32 32 LYS HE3 H 2.981 0.030 1 356 32 32 LYS C C 178.044 0.300 1 357 32 32 LYS CA C 58.887 0.300 1 358 32 32 LYS CB C 32.658 0.300 1 359 32 32 LYS CG C 25.098 0.300 1 360 32 32 LYS CD C 29.347 0.300 1 361 32 32 LYS CE C 42.314 0.300 1 362 32 32 LYS N N 118.972 0.300 1 363 33 33 ASN H H 7.822 0.030 1 364 33 33 ASN HA H 4.801 0.030 1 365 33 33 ASN HB2 H 2.741 0.030 2 366 33 33 ASN HB3 H 3.004 0.030 2 367 33 33 ASN HD21 H 7.431 0.030 2 368 33 33 ASN HD22 H 7.172 0.030 2 369 33 33 ASN C C 175.132 0.300 1 370 33 33 ASN CA C 53.441 0.300 1 371 33 33 ASN CB C 39.867 0.300 1 372 33 33 ASN N N 114.046 0.300 1 373 33 33 ASN ND2 N 111.624 0.300 1 374 34 34 GLY H H 7.838 0.030 1 375 34 34 GLY HA2 H 3.954 0.030 1 376 34 34 GLY HA3 H 3.954 0.030 1 377 34 34 GLY C C 174.573 0.300 1 378 34 34 GLY CA C 47.190 0.300 1 379 34 34 GLY N N 110.709 0.300 1 380 35 35 ILE H H 8.162 0.030 1 381 35 35 ILE HA H 4.165 0.030 1 382 35 35 ILE HB H 1.717 0.030 1 383 35 35 ILE HG12 H 1.531 0.030 2 384 35 35 ILE HG13 H 1.095 0.030 2 385 35 35 ILE HG2 H 0.940 0.030 1 386 35 35 ILE HD1 H 1.061 0.030 1 387 35 35 ILE C C 175.034 0.300 1 388 35 35 ILE CA C 60.095 0.300 1 389 35 35 ILE CB C 39.555 0.300 1 390 35 35 ILE CG1 C 27.276 0.300 1 391 35 35 ILE CG2 C 17.626 0.300 1 392 35 35 ILE CD1 C 13.715 0.300 1 393 35 35 ILE N N 121.026 0.300 1 394 36 36 CYS H H 8.561 0.030 1 395 36 36 CYS HA H 4.549 0.030 1 396 36 36 CYS HB2 H 3.090 0.030 2 397 36 36 CYS HB3 H 3.293 0.030 2 398 36 36 CYS C C 175.544 0.300 1 399 36 36 CYS CA C 57.370 0.300 1 400 36 36 CYS CB C 28.455 0.300 1 401 36 36 CYS N N 125.212 0.300 1 402 37 37 GLN H H 9.024 0.030 1 403 37 37 GLN HA H 3.713 0.030 1 404 37 37 GLN HB2 H 2.043 0.030 2 405 37 37 GLN HB3 H 1.970 0.030 2 406 37 37 GLN HG2 H 2.447 0.030 2 407 37 37 GLN HG3 H 2.045 0.030 2 408 37 37 GLN HE21 H 7.503 0.030 2 409 37 37 GLN HE22 H 6.865 0.030 2 410 37 37 GLN C C 177.960 0.300 1 411 37 37 GLN CA C 60.459 0.300 1 412 37 37 GLN CB C 28.472 0.300 1 413 37 37 GLN CG C 35.082 0.300 1 414 37 37 GLN N N 124.973 0.300 1 415 37 37 GLN NE2 N 109.367 0.300 1 416 38 38 ARG H H 8.827 0.030 1 417 38 38 ARG HA H 4.000 0.030 1 418 38 38 ARG HB2 H 1.838 0.030 2 419 38 38 ARG HB3 H 1.959 0.030 2 420 38 38 ARG HG2 H 1.488 0.030 2 421 38 38 ARG HG3 H 1.564 0.030 2 422 38 38 ARG HD2 H 3.096 0.030 2 423 38 38 ARG HD3 H 3.249 0.030 2 424 38 38 ARG HE H 7.425 0.030 1 425 38 38 ARG C C 178.445 0.300 1 426 38 38 ARG CA C 60.143 0.300 1 427 38 38 ARG CB C 30.186 0.300 1 428 38 38 ARG CG C 27.186 0.300 1 429 38 38 ARG CD C 43.166 0.300 1 430 38 38 ARG N N 119.531 0.300 1 431 38 38 ARG NE N 83.406 0.300 1 432 39 39 ILE H H 7.241 0.030 1 433 39 39 ILE HA H 3.864 0.030 1 434 39 39 ILE HB H 1.978 0.030 1 435 39 39 ILE HG12 H 1.249 0.030 2 436 39 39 ILE HG13 H 1.550 0.030 2 437 39 39 ILE HG2 H 0.954 0.030 1 438 39 39 ILE HD1 H 0.898 0.030 1 439 39 39 ILE C C 177.511 0.300 1 440 39 39 ILE CA C 63.605 0.300 1 441 39 39 ILE CB C 37.315 0.300 1 442 39 39 ILE CG1 C 29.094 0.300 1 443 39 39 ILE CG2 C 17.377 0.300 1 444 39 39 ILE CD1 C 12.057 0.300 1 445 39 39 ILE N N 120.428 0.300 1 446 40 40 PHE H H 7.895 0.030 1 447 40 40 PHE HA H 3.987 0.030 1 448 40 40 PHE HB2 H 2.799 0.030 2 449 40 40 PHE HB3 H 2.866 0.030 2 450 40 40 PHE HD1 H 6.424 0.030 1 451 40 40 PHE HD2 H 6.424 0.030 1 452 40 40 PHE HE1 H 5.870 0.030 1 453 40 40 PHE HE2 H 5.870 0.030 1 454 40 40 PHE HZ H 6.370 0.030 1 455 40 40 PHE C C 177.729 0.300 1 456 40 40 PHE CA C 60.922 0.300 1 457 40 40 PHE CB C 39.743 0.300 1 458 40 40 PHE CD1 C 131.049 0.300 1 459 40 40 PHE CD2 C 131.049 0.300 1 460 40 40 PHE CE1 C 130.172 0.300 1 461 40 40 PHE CE2 C 130.172 0.300 1 462 40 40 PHE CZ C 128.236 0.300 1 463 40 40 PHE N N 120.992 0.300 1 464 41 41 GLY H H 8.789 0.030 1 465 41 41 GLY HA2 H 3.111 0.030 2 466 41 41 GLY HA3 H 3.771 0.030 2 467 41 41 GLY C C 174.610 0.300 1 468 41 41 GLY CA C 48.001 0.300 1 469 41 41 GLY N N 105.274 0.300 1 470 42 42 GLU H H 7.972 0.030 1 471 42 42 GLU HA H 4.064 0.030 1 472 42 42 GLU HB2 H 1.978 0.030 2 473 42 42 GLU HB3 H 2.087 0.030 2 474 42 42 GLU HG2 H 2.401 0.030 2 475 42 42 GLU HG3 H 2.106 0.030 2 476 42 42 GLU C C 178.664 0.300 1 477 42 42 GLU CA C 59.409 0.300 1 478 42 42 GLU CB C 30.969 0.300 1 479 42 42 GLU CG C 36.412 0.300 1 480 42 42 GLU N N 120.415 0.300 1 481 43 43 LYS H H 8.653 0.030 1 482 43 43 LYS HA H 4.137 0.030 1 483 43 43 LYS HB2 H 1.795 0.030 2 484 43 43 LYS HB3 H 1.893 0.030 2 485 43 43 LYS HG2 H 1.437 0.030 2 486 43 43 LYS HG3 H 1.567 0.030 2 487 43 43 LYS HD2 H 1.617 0.030 1 488 43 43 LYS HD3 H 1.617 0.030 1 489 43 43 LYS HE2 H 2.930 0.030 2 490 43 43 LYS HE3 H 2.986 0.030 2 491 43 43 LYS C C 177.729 0.300 1 492 43 43 LYS CA C 57.864 0.300 1 493 43 43 LYS CB C 33.028 0.300 1 494 43 43 LYS CG C 25.357 0.300 1 495 43 43 LYS CD C 28.610 0.300 1 496 43 43 LYS CE C 42.173 0.300 1 497 43 43 LYS N N 115.425 0.300 1 498 44 44 VAL H H 7.716 0.030 1 499 44 44 VAL HA H 3.857 0.030 1 500 44 44 VAL HB H 1.164 0.030 1 501 44 44 VAL HG1 H 0.398 0.030 1 502 44 44 VAL HG2 H 0.644 0.030 1 503 44 44 VAL C C 176.964 0.300 1 504 44 44 VAL CA C 64.385 0.300 1 505 44 44 VAL CB C 31.010 0.300 1 506 44 44 VAL CG1 C 20.995 0.300 2 507 44 44 VAL CG2 C 21.703 0.300 2 508 44 44 VAL N N 116.884 0.300 1 509 45 45 LEU H H 6.656 0.030 1 510 45 45 LEU HA H 4.103 0.030 1 511 45 45 LEU HB2 H 1.218 0.030 2 512 45 45 LEU HB3 H 1.859 0.030 2 513 45 45 LEU HG H 0.681 0.030 1 514 45 45 LEU HD1 H 0.590 0.030 1 515 45 45 LEU HD2 H 0.506 0.030 1 516 45 45 LEU C C 176.928 0.300 1 517 45 45 LEU CA C 55.083 0.300 1 518 45 45 LEU CB C 41.968 0.300 1 519 45 45 LEU CG C 26.064 0.300 1 520 45 45 LEU CD1 C 26.822 0.300 2 521 45 45 LEU CD2 C 23.029 0.300 2 522 45 45 LEU N N 113.280 0.300 1 523 46 46 GLY H H 7.263 0.030 1 524 46 46 GLY HA2 H 3.805 0.030 2 525 46 46 GLY HA3 H 3.917 0.030 2 526 46 46 GLY C C 174.366 0.300 1 527 46 46 GLY CA C 46.822 0.300 1 528 46 46 GLY N N 108.363 0.300 1 529 47 47 LEU H H 7.624 0.030 1 530 47 47 LEU HA H 4.587 0.030 1 531 47 47 LEU HB2 H 1.161 0.030 2 532 47 47 LEU HB3 H 1.422 0.030 2 533 47 47 LEU HG H 1.390 0.030 1 534 47 47 LEU HD1 H 0.648 0.030 1 535 47 47 LEU HD2 H 0.790 0.030 1 536 47 47 LEU C C 176.406 0.300 1 537 47 47 LEU CA C 53.236 0.300 1 538 47 47 LEU CB C 46.129 0.300 1 539 47 47 LEU CG C 26.141 0.300 1 540 47 47 LEU CD1 C 26.306 0.300 2 541 47 47 LEU CD2 C 22.614 0.300 2 542 47 47 LEU N N 119.011 0.300 1 543 48 48 SER H H 8.327 0.030 1 544 48 48 SER HA H 4.366 0.030 1 545 48 48 SER HB2 H 3.984 0.030 2 546 48 48 SER HB3 H 4.131 0.030 2 547 48 48 SER C C 174.913 0.300 1 548 48 48 SER CA C 57.667 0.300 1 549 48 48 SER CB C 64.666 0.300 1 550 48 48 SER N N 115.361 0.300 1 551 49 49 GLN H H 8.837 0.030 1 552 49 49 GLN HA H 4.023 0.030 1 553 49 49 GLN HB2 H 2.048 0.030 1 554 49 49 GLN HB3 H 2.048 0.030 1 555 49 49 GLN HG2 H 2.350 0.030 1 556 49 49 GLN HG3 H 2.350 0.030 1 557 49 49 GLN HE21 H 7.518 0.030 2 558 49 49 GLN HE22 H 6.881 0.030 2 559 49 49 GLN C C 178.082 0.300 1 560 49 49 GLN CA C 58.894 0.300 1 561 49 49 GLN CB C 28.703 0.300 1 562 49 49 GLN CG C 33.586 0.300 1 563 49 49 GLN N N 121.294 0.300 1 564 49 49 GLN NE2 N 112.692 0.300 1 565 50 50 GLY H H 8.842 0.030 1 566 50 50 GLY HA2 H 3.929 0.030 2 567 50 50 GLY HA3 H 3.807 0.030 2 568 50 50 GLY C C 175.884 0.300 1 569 50 50 GLY CA C 46.507 0.300 1 570 50 50 GLY N N 108.638 0.300 1 571 51 51 SER H H 7.699 0.030 1 572 51 51 SER HA H 4.400 0.030 1 573 51 51 SER HB2 H 3.837 0.030 2 574 51 51 SER HB3 H 3.907 0.030 2 575 51 51 SER C C 176.709 0.300 1 576 51 51 SER CA C 60.837 0.300 1 577 51 51 SER CB C 63.348 0.300 1 578 51 51 SER N N 117.150 0.300 1 579 52 52 VAL H H 8.274 0.030 1 580 52 52 VAL HA H 3.610 0.030 1 581 52 52 VAL HB H 2.031 0.030 1 582 52 52 VAL HG1 H 0.922 0.030 1 583 52 52 VAL HG2 H 0.885 0.030 1 584 52 52 VAL C C 176.272 0.300 1 585 52 52 VAL CA C 65.928 0.300 1 586 52 52 VAL CB C 31.463 0.300 1 587 52 52 VAL CG1 C 21.117 0.300 2 588 52 52 VAL CG2 C 23.861 0.300 2 589 52 52 VAL N N 122.496 0.300 1 590 53 53 SER H H 8.177 0.030 1 591 53 53 SER HA H 4.145 0.030 1 592 53 53 SER HB2 H 3.965 0.030 1 593 53 53 SER HB3 H 3.965 0.030 1 594 53 53 SER C C 177.705 0.300 1 595 53 53 SER CA C 61.440 0.300 1 596 53 53 SER CB C 62.647 0.300 1 597 53 53 SER N N 115.423 0.300 1 598 54 54 ASP H H 7.796 0.030 1 599 54 54 ASP HA H 4.366 0.030 1 600 54 54 ASP HB2 H 2.725 0.030 1 601 54 54 ASP HB3 H 2.725 0.030 1 602 54 54 ASP C C 177.377 0.300 1 603 54 54 ASP CA C 57.664 0.300 1 604 54 54 ASP CB C 41.679 0.300 1 605 54 54 ASP N N 121.294 0.300 1 606 55 55 MET H H 7.662 0.030 1 607 55 55 MET HA H 4.091 0.030 1 608 55 55 MET HB2 H 1.848 0.030 2 609 55 55 MET HB3 H 2.100 0.030 2 610 55 55 MET HG2 H 2.419 0.030 2 611 55 55 MET HG3 H 2.553 0.030 2 612 55 55 MET HE H 1.699 0.030 1 613 55 55 MET C C 175.787 0.300 1 614 55 55 MET CA C 59.298 0.300 1 615 55 55 MET CB C 33.852 0.300 1 616 55 55 MET CG C 32.256 0.300 1 617 55 55 MET CE C 17.167 0.300 1 618 55 55 MET N N 118.513 0.300 1 619 56 56 LEU H H 7.821 0.030 1 620 56 56 LEU HA H 4.286 0.030 1 621 56 56 LEU HB2 H 1.301 0.030 2 622 56 56 LEU HB3 H 1.834 0.030 2 623 56 56 LEU HG H 1.850 0.030 1 624 56 56 LEU HD1 H 0.680 0.030 1 625 56 56 LEU HD2 H 0.797 0.030 1 626 56 56 LEU C C 178.057 0.300 1 627 56 56 LEU CA C 56.098 0.300 1 628 56 56 LEU CB C 41.803 0.300 1 629 56 56 LEU CG C 27.269 0.300 1 630 56 56 LEU CD1 C 25.523 0.300 2 631 56 56 LEU CD2 C 23.112 0.300 2 632 56 56 LEU N N 110.135 0.300 1 633 57 57 SER H H 7.809 0.030 1 634 57 57 SER HA H 4.538 0.030 1 635 57 57 SER HB2 H 3.939 0.030 1 636 57 57 SER HB3 H 3.939 0.030 1 637 57 57 SER C C 175.058 0.300 1 638 57 57 SER CA C 59.851 0.300 1 639 57 57 SER CB C 64.414 0.300 1 640 57 57 SER N N 112.042 0.300 1 641 58 58 ARG H H 8.169 0.030 1 642 58 58 ARG HA H 4.759 0.030 1 643 58 58 ARG HB2 H 1.732 0.030 2 644 58 58 ARG HB3 H 1.845 0.030 2 645 58 58 ARG HG2 H 1.569 0.030 1 646 58 58 ARG HG3 H 1.569 0.030 1 647 58 58 ARG HD2 H 3.209 0.030 1 648 58 58 ARG HD3 H 3.209 0.030 1 649 58 58 ARG HE H 7.274 0.030 1 650 58 58 ARG C C 172.425 0.300 1 651 58 58 ARG CA C 53.750 0.300 1 652 58 58 ARG CB C 30.427 0.300 1 653 58 58 ARG CG C 26.794 0.300 1 654 58 58 ARG CD C 43.356 0.300 1 655 58 58 ARG N N 121.109 0.300 1 656 58 58 ARG NE N 84.923 0.300 1 657 59 59 PRO HA H 4.709 0.030 1 658 59 59 PRO HB2 H 1.813 0.030 2 659 59 59 PRO HB3 H 2.844 0.030 2 660 59 59 PRO HG2 H 1.914 0.030 2 661 59 59 PRO HG3 H 2.198 0.030 2 662 59 59 PRO HD2 H 3.387 0.030 2 663 59 59 PRO HD3 H 3.451 0.030 2 664 59 59 PRO C C 177.984 0.300 1 665 59 59 PRO CA C 63.348 0.300 1 666 59 59 PRO CB C 31.257 0.300 1 667 59 59 PRO CG C 27.186 0.300 1 668 59 59 PRO CD C 50.045 0.300 1 669 60 60 LYS H H 8.504 0.030 1 670 60 60 LYS HA H 4.463 0.030 1 671 60 60 LYS HB2 H 1.638 0.030 1 672 60 60 LYS HB3 H 1.638 0.030 1 673 60 60 LYS HG2 H 1.559 0.030 2 674 60 60 LYS HG3 H 1.719 0.030 2 675 60 60 LYS HD2 H 1.700 0.030 2 676 60 60 LYS HD3 H 1.668 0.030 2 677 60 60 LYS HE2 H 3.033 0.030 1 678 60 60 LYS HE3 H 3.033 0.030 1 679 60 60 LYS C C 174.367 0.300 1 680 60 60 LYS CA C 54.821 0.300 1 681 60 60 LYS CB C 32.246 0.300 1 682 60 60 LYS CG C 25.885 0.300 1 683 60 60 LYS CD C 29.458 0.300 1 684 60 60 LYS CE C 42.415 0.300 1 685 60 60 LYS N N 123.979 0.300 1 686 61 61 PRO HA H 4.497 0.030 1 687 61 61 PRO HB2 H 1.859 0.030 2 688 61 61 PRO HB3 H 2.466 0.030 2 689 61 61 PRO HG2 H 1.993 0.030 2 690 61 61 PRO HG3 H 2.075 0.030 2 691 61 61 PRO HD2 H 3.425 0.030 2 692 61 61 PRO HD3 H 3.890 0.030 2 693 61 61 PRO C C 177.207 0.300 1 694 61 61 PRO CA C 62.383 0.300 1 695 61 61 PRO CB C 32.246 0.300 1 696 61 61 PRO CG C 27.762 0.300 1 697 61 61 PRO CD C 50.487 0.300 1 698 62 62 TRP H H 9.306 0.030 1 699 62 62 TRP HA H 4.077 0.030 1 700 62 62 TRP HB2 H 3.345 0.030 2 701 62 62 TRP HB3 H 3.709 0.030 2 702 62 62 TRP HD1 H 7.263 0.030 1 703 62 62 TRP HE1 H 10.143 0.030 1 704 62 62 TRP HE3 H 7.101 0.030 1 705 62 62 TRP HZ2 H 7.499 0.030 1 706 62 62 TRP HH2 H 7.084 0.030 1 707 62 62 TRP C C 179.101 0.300 1 708 62 62 TRP CA C 60.775 0.300 1 709 62 62 TRP CB C 30.927 0.300 1 710 62 62 TRP CD1 C 127.578 0.300 1 711 62 62 TRP CE3 C 120.330 0.300 1 712 62 62 TRP CZ2 C 115.789 0.300 1 713 62 62 TRP CZ3 C 120.875 0.300 1 714 62 62 TRP CH2 C 124.417 0.300 1 715 62 62 TRP N N 124.740 0.300 1 716 62 62 TRP NE1 N 130.263 0.300 1 717 63 63 SER H H 8.739 0.030 1 718 63 63 SER HA H 4.080 0.030 1 719 63 63 SER HB2 H 4.014 0.030 2 720 63 63 SER HB3 H 4.092 0.030 2 721 63 63 SER C C 175.399 0.300 1 722 63 63 SER CA C 60.417 0.300 1 723 63 63 SER CB C 62.895 0.300 1 724 63 63 SER N N 109.762 0.300 1 725 64 64 LYS H H 7.836 0.030 1 726 64 64 LYS HA H 4.446 0.030 1 727 64 64 LYS HB2 H 1.699 0.030 2 728 64 64 LYS HB3 H 2.088 0.030 2 729 64 64 LYS HG2 H 1.390 0.030 2 730 64 64 LYS HG3 H 1.513 0.030 2 731 64 64 LYS HD2 H 1.585 0.030 2 732 64 64 LYS HD3 H 1.658 0.030 2 733 64 64 LYS HE2 H 2.959 0.030 1 734 64 64 LYS HE3 H 2.959 0.030 1 735 64 64 LYS C C 175.969 0.300 1 736 64 64 LYS CA C 55.096 0.300 1 737 64 64 LYS CB C 32.905 0.300 1 738 64 64 LYS CG C 25.107 0.300 1 739 64 64 LYS CD C 28.489 0.300 1 740 64 64 LYS CE C 42.052 0.300 1 741 64 64 LYS N N 119.919 0.300 1 742 65 65 LEU H H 7.169 0.030 1 743 65 65 LEU HA H 4.526 0.030 1 744 65 65 LEU HB2 H 1.104 0.030 2 745 65 65 LEU HB3 H 1.424 0.030 2 746 65 65 LEU HG H 1.598 0.030 1 747 65 65 LEU HD1 H 0.600 0.030 1 748 65 65 LEU HD2 H 0.862 0.030 1 749 65 65 LEU C C 177.729 0.300 1 750 65 65 LEU CA C 53.677 0.300 1 751 65 65 LEU CB C 46.005 0.300 1 752 65 65 LEU CG C 25.337 0.300 1 753 65 65 LEU CD1 C 27.684 0.300 2 754 65 65 LEU CD2 C 24.027 0.300 2 755 65 65 LEU N N 121.247 0.300 1 756 66 66 THR H H 8.068 0.030 1 757 66 66 THR HA H 4.258 0.030 1 758 66 66 THR HB H 4.709 0.030 1 759 66 66 THR HG2 H 1.346 0.030 1 760 66 66 THR C C 174.743 0.300 1 761 66 66 THR CA C 60.417 0.300 1 762 66 66 THR CB C 71.217 0.300 1 763 66 66 THR CG2 C 21.949 0.300 1 764 66 66 THR N N 111.917 0.300 1 765 67 67 GLN H H 8.778 0.030 1 766 67 67 GLN HA H 3.759 0.030 1 767 67 67 GLN HB2 H 2.106 0.030 2 768 67 67 GLN HB3 H 2.043 0.030 2 769 67 67 GLN HG2 H 2.406 0.030 2 770 67 67 GLN HG3 H 2.350 0.030 2 771 67 67 GLN HE21 H 7.609 0.030 2 772 67 67 GLN HE22 H 6.873 0.030 2 773 67 67 GLN C C 178.991 0.300 1 774 67 67 GLN CA C 60.440 0.300 1 775 67 67 GLN CB C 27.838 0.300 1 776 67 67 GLN CG C 33.752 0.300 1 777 67 67 GLN N N 119.765 0.300 1 778 67 67 GLN NE2 N 111.662 0.300 1 779 68 68 LYS H H 8.301 0.030 1 780 68 68 LYS HA H 4.103 0.030 1 781 68 68 LYS HB2 H 1.714 0.030 2 782 68 68 LYS HB3 H 1.786 0.030 2 783 68 68 LYS HG2 H 1.445 0.030 1 784 68 68 LYS HG3 H 1.445 0.030 1 785 68 68 LYS HD2 H 1.679 0.030 1 786 68 68 LYS HD3 H 1.679 0.030 1 787 68 68 LYS HE2 H 2.969 0.030 1 788 68 68 LYS HE3 H 2.969 0.030 1 789 68 68 LYS C C 179.926 0.300 1 790 68 68 LYS CA C 58.804 0.300 1 791 68 68 LYS CB C 32.122 0.300 1 792 68 68 LYS CG C 24.941 0.300 1 793 68 68 LYS CD C 28.610 0.300 1 794 68 68 LYS CE C 42.052 0.300 1 795 68 68 LYS N N 117.904 0.300 1 796 69 69 GLY H H 7.930 0.030 1 797 69 69 GLY HA2 H 3.956 0.030 2 798 69 69 GLY HA3 H 3.850 0.030 2 799 69 69 GLY C C 175.496 0.300 1 800 69 69 GLY CA C 46.531 0.300 1 801 69 69 GLY N N 108.756 0.300 1 802 70 70 ARG H H 7.918 0.030 1 803 70 70 ARG HA H 4.097 0.030 1 804 70 70 ARG HB2 H 1.652 0.030 1 805 70 70 ARG HB3 H 1.652 0.030 1 806 70 70 ARG HG2 H 1.388 0.030 2 807 70 70 ARG HG3 H -0.141 0.030 2 808 70 70 ARG HD2 H 2.100 0.030 2 809 70 70 ARG HD3 H 2.319 0.030 2 810 70 70 ARG HE H 4.719 0.030 1 811 70 70 ARG C C 178.263 0.300 1 812 70 70 ARG CA C 58.642 0.300 1 813 70 70 ARG CB C 30.928 0.300 1 814 70 70 ARG CG C 28.848 0.300 1 815 70 70 ARG CD C 43.905 0.300 1 816 70 70 ARG N N 118.379 0.300 1 817 71 71 GLU H H 7.494 0.030 1 818 71 71 GLU HA H 4.062 0.030 1 819 71 71 GLU HB2 H 2.283 0.030 2 820 71 71 GLU HB3 H 2.134 0.030 2 821 71 71 GLU HG2 H 2.617 0.030 2 822 71 71 GLU HG3 H 2.191 0.030 2 823 71 71 GLU C C 175.265 0.300 1 824 71 71 GLU CA C 62.154 0.300 1 825 71 71 GLU CB C 27.302 0.300 1 826 71 71 GLU CG C 36.647 0.300 1 827 71 71 GLU N N 119.253 0.300 1 828 72 72 PRO HA H 4.251 0.030 1 829 72 72 PRO HB2 H 1.321 0.030 2 830 72 72 PRO HB3 H 2.065 0.030 2 831 72 72 PRO HG2 H 1.914 0.030 2 832 72 72 PRO HG3 H 2.000 0.030 2 833 72 72 PRO HD2 H 3.703 0.030 2 834 72 72 PRO HD3 H 3.987 0.030 2 835 72 72 PRO C C 178.494 0.300 1 836 72 72 PRO CA C 65.835 0.300 1 837 72 72 PRO CB C 31.010 0.300 1 838 72 72 PRO CG C 28.432 0.300 1 839 72 72 PRO CD C 49.879 0.300 1 840 73 73 PHE H H 7.055 0.030 1 841 73 73 PHE HA H 4.366 0.030 1 842 73 73 PHE HB2 H 3.164 0.030 2 843 73 73 PHE HB3 H 3.473 0.030 2 844 73 73 PHE HD1 H 7.496 0.030 1 845 73 73 PHE HD2 H 7.496 0.030 1 846 73 73 PHE HE1 H 7.395 0.030 1 847 73 73 PHE HE2 H 7.395 0.030 1 848 73 73 PHE HZ H 7.597 0.030 1 849 73 73 PHE C C 178.166 0.300 1 850 73 73 PHE CA C 61.833 0.300 1 851 73 73 PHE CB C 39.043 0.300 1 852 73 73 PHE CD1 C 131.645 0.300 1 853 73 73 PHE CD2 C 131.645 0.300 1 854 73 73 PHE CE1 C 131.827 0.300 1 855 73 73 PHE CE2 C 131.827 0.300 1 856 73 73 PHE CZ C 130.453 0.300 1 857 73 73 PHE N N 114.781 0.300 1 858 74 74 ILE H H 8.223 0.030 1 859 74 74 ILE HA H 3.752 0.030 1 860 74 74 ILE HB H 2.054 0.030 1 861 74 74 ILE HG12 H 1.162 0.030 2 862 74 74 ILE HG13 H 1.876 0.030 2 863 74 74 ILE HG2 H 0.745 0.030 1 864 74 74 ILE HD1 H 0.875 0.030 1 865 74 74 ILE C C 178.482 0.300 1 866 74 74 ILE CA C 65.513 0.300 1 867 74 74 ILE CB C 37.559 0.300 1 868 74 74 ILE CG1 C 29.014 0.300 1 869 74 74 ILE CG2 C 17.211 0.300 1 870 74 74 ILE CD1 C 13.352 0.300 1 871 74 74 ILE N N 122.589 0.300 1 872 75 75 ARG H H 8.135 0.030 1 873 75 75 ARG HA H 3.958 0.030 1 874 75 75 ARG HB2 H 1.697 0.030 2 875 75 75 ARG HB3 H 1.889 0.030 2 876 75 75 ARG HG2 H 1.822 0.030 2 877 75 75 ARG HG3 H 1.578 0.030 2 878 75 75 ARG HD2 H 3.189 0.030 1 879 75 75 ARG HD3 H 3.189 0.030 1 880 75 75 ARG HE H 7.404 0.030 1 881 75 75 ARG C C 179.417 0.300 1 882 75 75 ARG CA C 60.341 0.300 1 883 75 75 ARG CB C 29.856 0.300 1 884 75 75 ARG CG C 28.489 0.300 1 885 75 75 ARG CD C 43.505 0.300 1 886 75 75 ARG N N 118.015 0.300 1 887 75 75 ARG NE N 83.826 0.300 1 888 76 76 MET H H 8.306 0.030 1 889 76 76 MET HA H 4.048 0.030 1 890 76 76 MET HB2 H 2.995 0.030 2 891 76 76 MET HB3 H 2.724 0.030 2 892 76 76 MET HG2 H 2.632 0.030 2 893 76 76 MET HG3 H 2.074 0.030 2 894 76 76 MET HE H 1.584 0.030 1 895 76 76 MET C C 177.158 0.300 1 896 76 76 MET CA C 61.047 0.300 1 897 76 76 MET CB C 34.141 0.300 1 898 76 76 MET CG C 34.141 0.300 1 899 76 76 MET CE C 18.229 0.300 1 900 76 76 MET N N 117.958 0.300 1 901 77 77 GLN H H 8.158 0.030 1 902 77 77 GLN HA H 4.034 0.030 1 903 77 77 GLN HB2 H 2.260 0.030 1 904 77 77 GLN HB3 H 2.260 0.030 1 905 77 77 GLN HG2 H 2.429 0.030 2 906 77 77 GLN HG3 H 2.217 0.030 2 907 77 77 GLN HE21 H 7.008 0.030 2 908 77 77 GLN HE22 H 6.813 0.030 2 909 77 77 GLN C C 178.955 0.300 1 910 77 77 GLN CA C 59.714 0.300 1 911 77 77 GLN CB C 28.991 0.300 1 912 77 77 GLN CG C 34.999 0.300 1 913 77 77 GLN N N 119.802 0.300 1 914 77 77 GLN NE2 N 110.364 0.300 1 915 78 78 LEU H H 8.339 0.030 1 916 78 78 LEU HA H 4.044 0.030 1 917 78 78 LEU HB2 H 1.390 0.030 2 918 78 78 LEU HB3 H 1.962 0.030 2 919 78 78 LEU HG H 1.792 0.030 1 920 78 78 LEU HD1 H 0.850 0.030 1 921 78 78 LEU HD2 H 0.804 0.030 1 922 78 78 LEU C C 179.198 0.300 1 923 78 78 LEU CA C 58.050 0.300 1 924 78 78 LEU CB C 41.747 0.300 1 925 78 78 LEU CG C 26.770 0.300 1 926 78 78 LEU CD1 C 25.772 0.300 2 927 78 78 LEU CD2 C 22.946 0.300 2 928 78 78 LEU N N 120.802 0.300 1 929 79 79 TRP H H 8.495 0.030 1 930 79 79 TRP HA H 4.309 0.030 1 931 79 79 TRP HB2 H 3.301 0.030 2 932 79 79 TRP HB3 H 3.691 0.030 2 933 79 79 TRP HD1 H 7.475 0.030 1 934 79 79 TRP HE1 H 10.653 0.030 1 935 79 79 TRP HE3 H 7.566 0.030 1 936 79 79 TRP HZ2 H 7.293 0.030 1 937 79 79 TRP HH2 H 6.627 0.030 1 938 79 79 TRP C C 179.538 0.300 1 939 79 79 TRP CA C 61.883 0.300 1 940 79 79 TRP CB C 28.168 0.300 1 941 79 79 TRP CD1 C 128.168 0.300 1 942 79 79 TRP CE3 C 119.263 0.300 1 943 79 79 TRP CZ2 C 114.290 0.300 1 944 79 79 TRP CZ3 C 121.692 0.300 1 945 79 79 TRP CH2 C 123.691 0.300 1 946 79 79 TRP N N 121.154 0.300 1 947 79 79 TRP NE1 N 131.419 0.300 1 948 80 80 LEU H H 8.777 0.030 1 949 80 80 LEU HA H 3.473 0.030 1 950 80 80 LEU HB2 H 1.734 0.030 2 951 80 80 LEU HB3 H 1.932 0.030 2 952 80 80 LEU HG H 1.890 0.030 1 953 80 80 LEU HD1 H 0.901 0.030 1 954 80 80 LEU HD2 H 0.927 0.030 1 955 80 80 LEU C C 178.409 0.300 1 956 80 80 LEU CA C 58.139 0.300 1 957 80 80 LEU CB C 42.627 0.300 1 958 80 80 LEU CG C 26.604 0.300 1 959 80 80 LEU CD1 C 25.018 0.300 2 960 80 80 LEU CD2 C 25.665 0.300 2 961 80 80 LEU N N 121.453 0.300 1 962 81 81 SER H H 7.724 0.030 1 963 81 81 SER HA H 4.312 0.030 1 964 81 81 SER HB2 H 3.976 0.030 2 965 81 81 SER HB3 H 3.936 0.030 2 966 81 81 SER C C 174.379 0.300 1 967 81 81 SER CA C 59.177 0.300 1 968 81 81 SER CB C 63.440 0.300 1 969 81 81 SER N N 112.040 0.300 1 970 82 82 ASP H H 7.756 0.030 1 971 82 82 ASP HA H 4.442 0.030 1 972 82 82 ASP HB2 H 2.707 0.030 2 973 82 82 ASP HB3 H 2.772 0.030 2 974 82 82 ASP C C 176.600 0.300 1 975 82 82 ASP CA C 55.899 0.300 1 976 82 82 ASP CB C 39.751 0.300 1 977 82 82 ASP N N 119.368 0.300 1 978 83 83 GLN H H 8.202 0.030 1 979 83 83 GLN HA H 4.240 0.030 1 980 83 83 GLN HB2 H 1.721 0.030 2 981 83 83 GLN HB3 H 2.149 0.030 2 982 83 83 GLN HG2 H 1.865 0.030 2 983 83 83 GLN HG3 H 2.035 0.030 2 984 83 83 GLN HE21 H 7.156 0.030 2 985 83 83 GLN HE22 H 6.599 0.030 2 986 83 83 GLN C C 176.467 0.300 1 987 83 83 GLN CA C 55.813 0.300 1 988 83 83 GLN CB C 29.579 0.300 1 989 83 83 GLN CG C 33.503 0.300 1 990 83 83 GLN N N 116.638 0.300 1 991 83 83 GLN NE2 N 112.472 0.300 1 992 84 84 LEU H H 7.902 0.030 1 993 84 84 LEU HA H 4.320 0.030 1 994 84 84 LEU HB2 H 1.609 0.030 2 995 84 84 LEU HB3 H 1.694 0.030 2 996 84 84 LEU HG H 1.622 0.030 1 997 84 84 LEU HD1 H 0.973 0.030 1 998 84 84 LEU HD2 H 0.916 0.030 1 999 84 84 LEU C C 177.741 0.300 1 1000 84 84 LEU CA C 55.522 0.300 1 1001 84 84 LEU CB C 42.586 0.300 1 1002 84 84 LEU CG C 27.019 0.300 1 1003 84 84 LEU CD1 C 24.977 0.300 2 1004 84 84 LEU CD2 C 24.368 0.300 2 1005 84 84 LEU N N 120.732 0.300 1 1006 85 85 GLY H H 8.334 0.030 1 1007 85 85 GLY HA2 H 3.942 0.030 1 1008 85 85 GLY HA3 H 3.942 0.030 1 1009 85 85 GLY C C 174.366 0.300 1 1010 85 85 GLY CA C 45.774 0.300 1 1011 85 85 GLY N N 109.551 0.300 1 1012 86 86 GLN H H 8.144 0.030 1 1013 86 86 GLN HA H 4.303 0.030 1 1014 86 86 GLN HB2 H 1.940 0.030 2 1015 86 86 GLN HB3 H 2.085 0.030 2 1016 86 86 GLN HG2 H 2.320 0.030 1 1017 86 86 GLN HG3 H 2.320 0.030 1 1018 86 86 GLN HE21 H 7.498 0.030 2 1019 86 86 GLN HE22 H 6.812 0.030 2 1020 86 86 GLN C C 175.811 0.300 1 1021 86 86 GLN CA C 55.922 0.300 1 1022 86 86 GLN CB C 29.609 0.300 1 1023 86 86 GLN CG C 33.836 0.300 1 1024 86 86 GLN N N 119.407 0.300 1 1025 86 86 GLN NE2 N 112.273 0.300 1 1026 87 87 ALA H H 8.316 0.030 1 1027 87 87 ALA HA H 4.343 0.030 1 1028 87 87 ALA HB H 1.378 0.030 1 1029 87 87 ALA C C 177.790 0.300 1 1030 87 87 ALA CA C 52.567 0.300 1 1031 87 87 ALA CB C 19.228 0.300 1 1032 87 87 ALA N N 124.873 0.300 1 1033 88 88 VAL H H 8.090 0.030 1 1034 88 88 VAL HA H 4.091 0.030 1 1035 88 88 VAL HB H 2.088 0.030 1 1036 88 88 VAL HG1 H 0.945 0.030 1 1037 88 88 VAL HG2 H 0.945 0.030 1 1038 88 88 VAL C C 176.770 0.300 1 1039 88 88 VAL CA C 62.582 0.300 1 1040 88 88 VAL CB C 32.699 0.300 1 1041 88 88 VAL CG1 C 20.951 0.300 1 1042 88 88 VAL CG2 C 20.951 0.300 1 1043 88 88 VAL N N 119.072 0.300 1 1044 89 89 GLY H H 8.464 0.030 1 1045 89 89 GLY HA2 H 3.942 0.030 1 1046 89 89 GLY HA3 H 3.942 0.030 1 1047 89 89 GLY C C 173.918 0.300 1 1048 89 89 GLY CA C 45.345 0.300 1 1049 89 89 GLY N N 112.123 0.300 1 1050 90 90 GLN H H 8.182 0.030 1 1051 90 90 GLN HA H 4.326 0.030 1 1052 90 90 GLN HB2 H 1.950 0.030 2 1053 90 90 GLN HB3 H 2.089 0.030 2 1054 90 90 GLN HG2 H 2.320 0.030 1 1055 90 90 GLN HG3 H 2.320 0.030 1 1056 90 90 GLN HE21 H 7.533 0.030 2 1057 90 90 GLN HE22 H 6.844 0.030 2 1058 90 90 GLN C C 175.909 0.300 1 1059 90 90 GLN CA C 55.581 0.300 1 1060 90 90 GLN CB C 29.733 0.300 1 1061 90 90 GLN CG C 33.836 0.300 1 1062 90 90 GLN N N 119.642 0.300 1 1063 90 90 GLN NE2 N 112.541 0.300 1 1064 91 91 GLN H H 8.516 0.030 1 1065 91 91 GLN HA H 4.605 0.030 1 1066 91 91 GLN HB2 H 1.922 0.030 2 1067 91 91 GLN HB3 H 2.107 0.030 2 1068 91 91 GLN HG2 H 2.385 0.030 1 1069 91 91 GLN HG3 H 2.385 0.030 1 1070 91 91 GLN HE21 H 7.601 0.030 2 1071 91 91 GLN HE22 H 6.759 0.030 2 1072 91 91 GLN C C 174.173 0.300 1 1073 91 91 GLN CA C 53.750 0.300 1 1074 91 91 GLN CB C 28.785 0.300 1 1075 91 91 GLN CG C 33.454 0.300 1 1076 91 91 GLN N N 122.976 0.300 1 1077 91 91 GLN NE2 N 112.109 0.300 1 1078 92 92 PRO HA H 4.414 0.030 1 1079 92 92 PRO HB2 H 1.946 0.030 2 1080 92 92 PRO HB3 H 2.297 0.030 2 1081 92 92 PRO HG2 H 2.002 0.030 2 1082 92 92 PRO HG3 H 2.061 0.030 2 1083 92 92 PRO HD2 H 3.677 0.030 2 1084 92 92 PRO HD3 H 3.800 0.030 2 1085 92 92 PRO C C 177.571 0.300 1 1086 92 92 PRO CA C 63.551 0.300 1 1087 92 92 PRO CB C 32.081 0.300 1 1088 92 92 PRO CG C 27.518 0.300 1 1089 92 92 PRO CD C 50.695 0.300 1 1090 93 93 GLY H H 8.536 0.030 1 1091 93 93 GLY HA2 H 3.933 0.030 1 1092 93 93 GLY HA3 H 3.933 0.030 1 1093 93 93 GLY C C 174.027 0.300 1 1094 93 93 GLY CA C 45.244 0.300 1 1095 93 93 GLY N N 109.787 0.300 1 1096 94 94 ALA H H 8.126 0.030 1 1097 94 94 ALA HA H 4.343 0.030 1 1098 94 94 ALA HB H 1.387 0.030 1 1099 94 94 ALA C C 177.984 0.300 1 1100 94 94 ALA CA C 52.718 0.300 1 1101 94 94 ALA CB C 19.407 0.300 1 1102 94 94 ALA N N 123.698 0.300 1 1103 95 95 SER H H 8.395 0.030 1 1104 95 95 SER HA H 4.526 0.030 1 1105 95 95 SER HB2 H 3.908 0.030 1 1106 95 95 SER HB3 H 3.908 0.030 1 1107 95 95 SER C C 174.610 0.300 1 1108 95 95 SER CA C 58.446 0.300 1 1109 95 95 SER CB C 64.213 0.300 1 1110 95 95 SER N N 115.145 0.300 1 1111 96 96 SER H H 8.472 0.030 1 1112 96 96 SER HA H 4.513 0.030 1 1113 96 96 SER HB2 H 3.892 0.030 1 1114 96 96 SER HB3 H 3.892 0.030 1 1115 96 96 SER CA C 58.858 0.300 1 1116 96 96 SER CB C 63.966 0.300 1 1117 96 96 SER N N 117.911 0.300 1 1118 97 97 GLY H H 8.248 0.030 1 1119 97 97 GLY HA2 H 4.120 0.030 1 1120 97 97 GLY HA3 H 4.120 0.030 1 1121 97 97 GLY CA C 44.646 0.300 1 1122 97 97 GLY N N 110.585 0.300 1 1123 98 98 PRO HA H 4.469 0.030 1 1124 98 98 PRO HB2 H 1.962 0.030 2 1125 98 98 PRO HB3 H 2.294 0.030 2 1126 98 98 PRO HG2 H 2.002 0.030 1 1127 98 98 PRO HG3 H 2.002 0.030 1 1128 98 98 PRO HD2 H 3.608 0.030 1 1129 98 98 PRO HD3 H 3.608 0.030 1 1130 98 98 PRO C C 177.401 0.300 1 1131 98 98 PRO CA C 63.265 0.300 1 1132 98 98 PRO CB C 32.328 0.300 1 1133 98 98 PRO CG C 27.186 0.300 1 1134 98 98 PRO CD C 49.810 0.300 1 1135 99 99 SER H H 8.536 0.030 1 1136 99 99 SER C C 174.658 0.300 1 1137 99 99 SER CA C 58.693 0.300 1 1138 99 99 SER CB C 64.131 0.300 1 1139 99 99 SER N N 116.474 0.300 1 stop_ save_