data_11197 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the sixth PDZ domain of human InaD-like protein ; _BMRB_accession_number 11197 _BMRB_flat_file_name bmr11197.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Hayashi F. . . 3 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" 648 "13C chemical shifts" 481 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the sixth PDZ domain of human InaD-like 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 Inoue K. . . 2 Hayashi F. . . 3 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 'InaD-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; GSSGSSGPNFSHWGPPRIVE IFREPNVSLGISIVGGQTVI KRLKNGEELKGIFIKQVLED SPAGKTNALKTGDKILEVSG VDLQNASHSEAVEAIKNAGN PVVFIVQSLSSTPRVIP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ASN 10 PHE 11 SER 12 HIS 13 TRP 14 GLY 15 PRO 16 PRO 17 ARG 18 ILE 19 VAL 20 GLU 21 ILE 22 PHE 23 ARG 24 GLU 25 PRO 26 ASN 27 VAL 28 SER 29 LEU 30 GLY 31 ILE 32 SER 33 ILE 34 VAL 35 GLY 36 GLY 37 GLN 38 THR 39 VAL 40 ILE 41 LYS 42 ARG 43 LEU 44 LYS 45 ASN 46 GLY 47 GLU 48 GLU 49 LEU 50 LYS 51 GLY 52 ILE 53 PHE 54 ILE 55 LYS 56 GLN 57 VAL 58 LEU 59 GLU 60 ASP 61 SER 62 PRO 63 ALA 64 GLY 65 LYS 66 THR 67 ASN 68 ALA 69 LEU 70 LYS 71 THR 72 GLY 73 ASP 74 LYS 75 ILE 76 LEU 77 GLU 78 VAL 79 SER 80 GLY 81 VAL 82 ASP 83 LEU 84 GLN 85 ASN 86 ALA 87 SER 88 HIS 89 SER 90 GLU 91 ALA 92 VAL 93 GLU 94 ALA 95 ILE 96 LYS 97 ASN 98 ALA 99 GLY 100 ASN 101 PRO 102 VAL 103 VAL 104 PHE 105 ILE 106 VAL 107 GLN 108 SER 109 LEU 110 SER 111 SER 112 THR 113 PRO 114 ARG 115 VAL 116 ILE 117 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-12 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 2EHR "Solution Structure Of The Sixth Pdz Domain Of Human Inad- Like Protein" 100.00 117 100.00 100.00 3.04e-75 GB EHH61906 "hypothetical protein EGM_20048, partial [Macaca fascicularis]" 82.91 98 98.97 100.00 4.27e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060313-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.19mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.19 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060324 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9807 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PDZ domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 PRO HA H 4.373 0.030 1 2 8 8 PRO HB2 H 1.710 0.030 2 3 8 8 PRO HB3 H 2.163 0.030 2 4 8 8 PRO HD2 H 3.611 0.030 1 5 8 8 PRO HD3 H 3.611 0.030 1 6 8 8 PRO HG2 H 1.942 0.030 2 7 8 8 PRO HG3 H 1.981 0.030 2 8 8 8 PRO C C 176.612 0.300 1 9 8 8 PRO CA C 63.172 0.300 1 10 8 8 PRO CB C 32.054 0.300 1 11 8 8 PRO CD C 49.700 0.300 1 12 8 8 PRO CG C 27.068 0.300 1 13 9 9 ASN H H 8.446 0.030 1 14 9 9 ASN HA H 4.662 0.030 1 15 9 9 ASN HB2 H 2.667 0.030 2 16 9 9 ASN HB3 H 2.732 0.030 2 17 9 9 ASN HD21 H 6.895 0.030 2 18 9 9 ASN HD22 H 7.531 0.030 2 19 9 9 ASN C C 174.674 0.300 1 20 9 9 ASN CA C 53.065 0.300 1 21 9 9 ASN CB C 38.928 0.300 1 22 9 9 ASN N N 118.477 0.300 1 23 9 9 ASN ND2 N 113.034 0.300 1 24 10 10 PHE H H 8.153 0.030 1 25 10 10 PHE HA H 4.690 0.030 1 26 10 10 PHE HB2 H 2.924 0.030 2 27 10 10 PHE HB3 H 3.099 0.030 2 28 10 10 PHE HD1 H 7.152 0.030 1 29 10 10 PHE HD2 H 7.152 0.030 1 30 10 10 PHE HE1 H 7.270 0.030 1 31 10 10 PHE HE2 H 7.270 0.030 1 32 10 10 PHE C C 175.428 0.300 1 33 10 10 PHE CA C 57.517 0.300 1 34 10 10 PHE CB C 39.920 0.300 1 35 10 10 PHE CD1 C 131.561 0.300 1 36 10 10 PHE CD2 C 131.561 0.300 1 37 10 10 PHE CE1 C 129.557 0.300 1 38 10 10 PHE CE2 C 129.557 0.300 1 39 10 10 PHE N N 120.560 0.300 1 40 11 11 SER H H 8.220 0.030 1 41 11 11 SER HA H 4.494 0.030 1 42 11 11 SER HB2 H 3.630 0.030 2 43 11 11 SER HB3 H 3.737 0.030 2 44 11 11 SER C C 173.603 0.300 1 45 11 11 SER CA C 57.918 0.300 1 46 11 11 SER CB C 64.222 0.300 1 47 11 11 SER N N 116.667 0.300 1 48 12 12 HIS H H 8.343 0.030 1 49 12 12 HIS HA H 4.565 0.030 1 50 12 12 HIS HB2 H 2.965 0.030 2 51 12 12 HIS HB3 H 2.800 0.030 2 52 12 12 HIS HD2 H 6.784 0.030 1 53 12 12 HIS HE1 H 7.817 0.030 1 54 12 12 HIS C C 173.926 0.300 1 55 12 12 HIS CA C 56.148 0.300 1 56 12 12 HIS CB C 31.057 0.300 1 57 12 12 HIS CD2 C 120.323 0.300 1 58 12 12 HIS CE1 C 137.889 0.300 1 59 13 13 TRP H H 8.309 0.030 1 60 13 13 TRP HA H 4.850 0.030 1 61 13 13 TRP HB2 H 3.000 0.030 2 62 13 13 TRP HB3 H 3.267 0.030 2 63 13 13 TRP HD1 H 7.277 0.030 1 64 13 13 TRP HE1 H 10.185 0.030 1 65 13 13 TRP HE3 H 7.303 0.030 1 66 13 13 TRP HH2 H 7.481 0.030 1 67 13 13 TRP HZ2 H 7.574 0.030 1 68 13 13 TRP HZ3 H 7.384 0.030 1 69 13 13 TRP C C 177.402 0.300 1 70 13 13 TRP CA C 56.856 0.300 1 71 13 13 TRP CB C 31.617 0.300 1 72 13 13 TRP CD1 C 127.115 0.300 1 73 13 13 TRP CE3 C 120.129 0.300 1 74 13 13 TRP CH2 C 125.064 0.300 1 75 13 13 TRP CZ2 C 114.579 0.300 1 76 13 13 TRP CZ3 C 123.187 0.300 1 77 13 13 TRP N N 121.891 0.300 1 78 13 13 TRP NE1 N 128.269 0.300 1 79 14 14 GLY H H 9.195 0.030 1 80 14 14 GLY HA2 H 4.047 0.030 2 81 14 14 GLY HA3 H 4.383 0.030 2 82 14 14 GLY C C 177.429 0.300 1 83 14 14 GLY CA C 44.369 0.300 1 84 14 14 GLY N N 110.335 0.300 1 85 15 15 PRO HA H 4.816 0.030 1 86 15 15 PRO HB2 H 2.377 0.030 2 87 15 15 PRO HB3 H 1.930 0.030 2 88 15 15 PRO HD2 H 3.652 0.030 2 89 15 15 PRO HD3 H 3.706 0.030 2 90 15 15 PRO HG2 H 2.081 0.030 2 91 15 15 PRO HG3 H 2.114 0.030 2 92 15 15 PRO CA C 61.190 0.300 1 93 15 15 PRO CB C 30.778 0.300 1 94 15 15 PRO CD C 49.229 0.300 1 95 15 15 PRO CG C 27.380 0.300 1 96 16 16 PRO HA H 4.721 0.030 1 97 16 16 PRO HB2 H 1.746 0.030 2 98 16 16 PRO HB3 H 1.890 0.030 2 99 16 16 PRO HD2 H 3.648 0.030 2 100 16 16 PRO HD3 H 3.873 0.030 2 101 16 16 PRO HG2 H 2.070 0.030 2 102 16 16 PRO HG3 H 1.762 0.030 2 103 16 16 PRO C C 176.629 0.300 1 104 16 16 PRO CA C 62.675 0.300 1 105 16 16 PRO CB C 31.921 0.300 1 106 16 16 PRO CD C 50.352 0.300 1 107 16 16 PRO CG C 27.682 0.300 1 108 17 17 ARG H H 9.420 0.030 1 109 17 17 ARG HA H 4.744 0.030 1 110 17 17 ARG HB2 H 1.730 0.030 1 111 17 17 ARG HB3 H 1.730 0.030 1 112 17 17 ARG HD2 H 3.241 0.030 1 113 17 17 ARG HD3 H 3.241 0.030 1 114 17 17 ARG HE H 7.002 0.030 1 115 17 17 ARG HG2 H 1.626 0.030 1 116 17 17 ARG HG3 H 1.626 0.030 1 117 17 17 ARG C C 173.856 0.300 1 118 17 17 ARG CA C 54.346 0.300 1 119 17 17 ARG CB C 32.832 0.300 1 120 17 17 ARG CD C 43.442 0.300 1 121 17 17 ARG CG C 27.031 0.300 1 122 17 17 ARG N N 123.068 0.300 1 123 17 17 ARG NE N 84.593 0.300 1 124 18 18 ILE H H 8.386 0.030 1 125 18 18 ILE HA H 4.740 0.030 1 126 18 18 ILE HB H 1.676 0.030 1 127 18 18 ILE HD1 H 0.844 0.030 1 128 18 18 ILE HG12 H 0.959 0.030 2 129 18 18 ILE HG13 H 1.582 0.030 2 130 18 18 ILE HG2 H 0.798 0.030 1 131 18 18 ILE C C 176.735 0.300 1 132 18 18 ILE CA C 60.982 0.300 1 133 18 18 ILE CB C 39.153 0.300 1 134 18 18 ILE CD1 C 13.682 0.300 1 135 18 18 ILE CG1 C 28.375 0.300 1 136 18 18 ILE CG2 C 17.798 0.300 1 137 18 18 ILE N N 122.288 0.300 1 138 19 19 VAL H H 9.474 0.030 1 139 19 19 VAL HA H 4.288 0.030 1 140 19 19 VAL HB H 1.970 0.030 1 141 19 19 VAL HG1 H 0.889 0.030 1 142 19 19 VAL HG2 H 0.834 0.030 1 143 19 19 VAL C C 173.874 0.300 1 144 19 19 VAL CA C 61.913 0.300 1 145 19 19 VAL CB C 35.260 0.300 1 146 19 19 VAL CG1 C 20.924 0.300 2 147 19 19 VAL CG2 C 20.998 0.300 2 148 19 19 VAL N N 130.069 0.300 1 149 20 20 GLU H H 8.656 0.030 1 150 20 20 GLU HA H 4.979 0.030 1 151 20 20 GLU HB2 H 1.927 0.030 2 152 20 20 GLU HB3 H 1.683 0.030 2 153 20 20 GLU HG2 H 2.056 0.030 2 154 20 20 GLU HG3 H 1.879 0.030 2 155 20 20 GLU C C 175.629 0.300 1 156 20 20 GLU CA C 54.991 0.300 1 157 20 20 GLU CB C 31.930 0.300 1 158 20 20 GLU CG C 37.191 0.300 1 159 20 20 GLU N N 127.593 0.300 1 160 21 21 ILE H H 9.015 0.030 1 161 21 21 ILE HA H 4.379 0.030 1 162 21 21 ILE HB H 1.724 0.030 1 163 21 21 ILE HD1 H 0.673 0.030 1 164 21 21 ILE HG12 H 0.964 0.030 2 165 21 21 ILE HG13 H 1.565 0.030 2 166 21 21 ILE HG2 H 0.711 0.030 1 167 21 21 ILE C C 174.506 0.300 1 168 21 21 ILE CA C 60.192 0.300 1 169 21 21 ILE CB C 40.619 0.300 1 170 21 21 ILE CD1 C 14.414 0.300 1 171 21 21 ILE CG1 C 27.245 0.300 1 172 21 21 ILE CG2 C 18.446 0.300 1 173 21 21 ILE N N 123.278 0.300 1 174 22 22 PHE H H 8.902 0.030 1 175 22 22 PHE HA H 4.635 0.030 1 176 22 22 PHE HB2 H 2.946 0.030 2 177 22 22 PHE HB3 H 3.055 0.030 2 178 22 22 PHE HD1 H 7.276 0.030 1 179 22 22 PHE HD2 H 7.276 0.030 1 180 22 22 PHE HE1 H 7.251 0.030 1 181 22 22 PHE HE2 H 7.251 0.030 1 182 22 22 PHE HZ H 7.305 0.030 1 183 22 22 PHE C C 175.717 0.300 1 184 22 22 PHE CA C 58.114 0.300 1 185 22 22 PHE CB C 39.273 0.300 1 186 22 22 PHE CD1 C 131.682 0.300 1 187 22 22 PHE CD2 C 131.682 0.300 1 188 22 22 PHE CE1 C 131.432 0.300 1 189 22 22 PHE CE2 C 131.432 0.300 1 190 22 22 PHE CZ C 131.159 0.300 1 191 22 22 PHE N N 127.714 0.300 1 192 23 23 ARG H H 8.972 0.030 1 193 23 23 ARG HA H 4.254 0.030 1 194 23 23 ARG HB2 H 1.542 0.030 2 195 23 23 ARG HB3 H 1.713 0.030 2 196 23 23 ARG HD2 H 3.031 0.030 2 197 23 23 ARG HD3 H 3.146 0.030 2 198 23 23 ARG HE H 7.083 0.030 1 199 23 23 ARG HG2 H 1.711 0.030 2 200 23 23 ARG HG3 H 1.542 0.030 2 201 23 23 ARG C C 175.867 0.300 1 202 23 23 ARG CA C 55.894 0.300 1 203 23 23 ARG CB C 31.556 0.300 1 204 23 23 ARG CD C 43.986 0.300 1 205 23 23 ARG CG C 27.805 0.300 1 206 23 23 ARG N N 122.681 0.300 1 207 23 23 ARG NE N 85.051 0.300 1 208 24 24 GLU H H 8.353 0.030 1 209 24 24 GLU HA H 4.703 0.030 1 210 24 24 GLU HB2 H 2.084 0.030 2 211 24 24 GLU HB3 H 1.695 0.030 2 212 24 24 GLU HG2 H 2.315 0.030 1 213 24 24 GLU HG3 H 2.315 0.030 1 214 24 24 GLU C C 174.428 0.300 1 215 24 24 GLU CA C 53.712 0.300 1 216 24 24 GLU CB C 30.421 0.300 1 217 24 24 GLU CG C 36.291 0.300 1 218 24 24 GLU N N 123.004 0.300 1 219 25 25 PRO HA H 4.243 0.030 1 220 25 25 PRO HB2 H 1.877 0.030 2 221 25 25 PRO HB3 H 2.280 0.030 2 222 25 25 PRO HD2 H 3.706 0.030 2 223 25 25 PRO HD3 H 3.816 0.030 2 224 25 25 PRO HG2 H 2.010 0.030 2 225 25 25 PRO HG3 H 2.110 0.030 2 226 25 25 PRO C C 177.314 0.300 1 227 25 25 PRO CA C 64.025 0.300 1 228 25 25 PRO CB C 31.994 0.300 1 229 25 25 PRO CD C 50.565 0.300 1 230 25 25 PRO CG C 27.649 0.300 1 231 26 26 ASN H H 8.744 0.030 1 232 26 26 ASN HA H 4.376 0.030 1 233 26 26 ASN HB2 H 2.995 0.030 1 234 26 26 ASN HB3 H 2.995 0.030 1 235 26 26 ASN HD21 H 6.956 0.030 2 236 26 26 ASN HD22 H 7.625 0.030 2 237 26 26 ASN C C 174.032 0.300 1 238 26 26 ASN CA C 54.718 0.300 1 239 26 26 ASN CB C 37.846 0.300 1 240 26 26 ASN N N 113.970 0.300 1 241 26 26 ASN ND2 N 114.169 0.300 1 242 27 27 VAL H H 7.514 0.030 1 243 27 27 VAL HA H 4.410 0.030 1 244 27 27 VAL HB H 2.105 0.030 1 245 27 27 VAL HG1 H 0.878 0.030 1 246 27 27 VAL HG2 H 0.996 0.030 1 247 27 27 VAL C C 175.699 0.300 1 248 27 27 VAL CA C 60.892 0.300 1 249 27 27 VAL CB C 34.558 0.300 1 250 27 27 VAL CG1 C 20.620 0.300 2 251 27 27 VAL CG2 C 21.251 0.300 2 252 27 27 VAL N N 117.559 0.300 1 253 28 28 SER H H 8.532 0.030 1 254 28 28 SER HA H 4.478 0.030 1 255 28 28 SER HB2 H 4.035 0.030 2 256 28 28 SER HB3 H 3.926 0.030 2 257 28 28 SER C C 175.488 0.300 1 258 28 28 SER CA C 58.191 0.300 1 259 28 28 SER CB C 63.562 0.300 1 260 28 28 SER N N 120.610 0.300 1 261 29 29 LEU H H 8.661 0.030 1 262 29 29 LEU HA H 4.005 0.030 1 263 29 29 LEU HB2 H 1.857 0.030 2 264 29 29 LEU HB3 H 1.679 0.030 2 265 29 29 LEU HD1 H 0.957 0.030 1 266 29 29 LEU HD2 H 1.005 0.030 1 267 29 29 LEU HG H 1.825 0.030 1 268 29 29 LEU C C 177.314 0.300 1 269 29 29 LEU CA C 58.209 0.300 1 270 29 29 LEU CB C 43.325 0.300 1 271 29 29 LEU CD1 C 25.048 0.300 2 272 29 29 LEU CD2 C 25.423 0.300 2 273 29 29 LEU CG C 27.233 0.300 1 274 29 29 LEU N N 123.492 0.300 1 275 30 30 GLY H H 8.012 0.030 1 276 30 30 GLY HA2 H 4.857 0.030 2 277 30 30 GLY HA3 H 3.593 0.030 2 278 30 30 GLY C C 174.277 0.300 1 279 30 30 GLY CA C 45.063 0.300 1 280 30 30 GLY N N 99.730 0.300 1 281 31 31 ILE H H 7.242 0.030 1 282 31 31 ILE HA H 4.991 0.030 1 283 31 31 ILE HB H 1.565 0.030 1 284 31 31 ILE HD1 H 0.500 0.030 1 285 31 31 ILE HG12 H 1.364 0.030 2 286 31 31 ILE HG13 H 0.718 0.030 2 287 31 31 ILE HG2 H 0.712 0.030 1 288 31 31 ILE C C 174.909 0.300 1 289 31 31 ILE CA C 59.051 0.300 1 290 31 31 ILE CB C 41.629 0.300 1 291 31 31 ILE CD1 C 14.684 0.300 1 292 31 31 ILE CG1 C 27.093 0.300 1 293 31 31 ILE CG2 C 17.911 0.300 1 294 31 31 ILE N N 114.613 0.300 1 295 32 32 SER H H 8.611 0.030 1 296 32 32 SER HA H 5.049 0.030 1 297 32 32 SER HB2 H 3.886 0.030 2 298 32 32 SER HB3 H 3.939 0.030 2 299 32 32 SER C C 174.558 0.300 1 300 32 32 SER CA C 56.311 0.300 1 301 32 32 SER CB C 65.231 0.300 1 302 32 32 SER N N 120.673 0.300 1 303 33 33 ILE H H 8.987 0.030 1 304 33 33 ILE HA H 5.406 0.030 1 305 33 33 ILE HB H 1.894 0.030 1 306 33 33 ILE HD1 H 0.559 0.030 1 307 33 33 ILE HG12 H 1.021 0.030 2 308 33 33 ILE HG13 H 1.338 0.030 2 309 33 33 ILE HG2 H 0.641 0.030 1 310 33 33 ILE C C 174.786 0.300 1 311 33 33 ILE CA C 59.686 0.300 1 312 33 33 ILE CB C 42.314 0.300 1 313 33 33 ILE CD1 C 15.011 0.300 1 314 33 33 ILE CG1 C 25.339 0.300 1 315 33 33 ILE CG2 C 18.883 0.300 1 316 33 33 ILE N N 119.057 0.300 1 317 34 34 VAL H H 9.253 0.030 1 318 34 34 VAL HA H 4.640 0.030 1 319 34 34 VAL HB H 2.172 0.030 1 320 34 34 VAL HG1 H 0.957 0.030 1 321 34 34 VAL HG2 H 1.039 0.030 1 322 34 34 VAL C C 173.593 0.300 1 323 34 34 VAL CA C 60.440 0.300 1 324 34 34 VAL CB C 35.926 0.300 1 325 34 34 VAL CG1 C 20.882 0.300 2 326 34 34 VAL CG2 C 20.314 0.300 2 327 34 34 VAL N N 118.353 0.300 1 328 35 35 GLY H H 8.609 0.030 1 329 35 35 GLY HA2 H 4.542 0.030 2 330 35 35 GLY HA3 H 4.572 0.030 2 331 35 35 GLY C C 174.541 0.300 1 332 35 35 GLY CA C 44.430 0.300 1 333 35 35 GLY N N 110.730 0.300 1 334 36 36 GLY H H 8.356 0.030 1 335 36 36 GLY HA2 H 3.958 0.030 2 336 36 36 GLY HA3 H 4.228 0.030 2 337 36 36 GLY C C 174.348 0.300 1 338 36 36 GLY CA C 45.580 0.300 1 339 36 36 GLY N N 108.167 0.300 1 340 37 37 GLN H H 8.471 0.030 1 341 37 37 GLN HA H 4.408 0.030 1 342 37 37 GLN HB2 H 1.920 0.030 2 343 37 37 GLN HB3 H 2.100 0.030 2 344 37 37 GLN HE21 H 6.866 0.030 2 345 37 37 GLN HE22 H 7.483 0.030 2 346 37 37 GLN HG2 H 2.309 0.030 2 347 37 37 GLN HG3 H 2.269 0.030 2 348 37 37 GLN CA C 56.083 0.300 1 349 37 37 GLN CB C 29.644 0.300 1 350 37 37 GLN CG C 33.831 0.300 1 351 37 37 GLN N N 118.974 0.300 1 352 37 37 GLN NE2 N 112.558 0.300 1 353 38 38 THR H H 8.132 0.030 1 354 38 38 THR HA H 4.389 0.030 1 355 38 38 THR HB H 4.186 0.030 1 356 38 38 THR HG2 H 1.189 0.030 1 357 38 38 THR C C 174.190 0.300 1 358 38 38 THR CA C 61.929 0.300 1 359 38 38 THR CB C 69.698 0.300 1 360 38 38 THR CG2 C 21.685 0.300 1 361 38 38 THR N N 114.564 0.300 1 362 39 39 VAL H H 8.132 0.030 1 363 39 39 VAL HA H 4.064 0.030 1 364 39 39 VAL HB H 2.046 0.030 1 365 39 39 VAL HG1 H 0.914 0.030 1 366 39 39 VAL HG2 H 0.873 0.030 1 367 39 39 VAL C C 175.980 0.300 1 368 39 39 VAL CA C 62.820 0.300 1 369 39 39 VAL CB C 32.504 0.300 1 370 39 39 VAL CG1 C 21.125 0.300 2 371 39 39 VAL CG2 C 21.235 0.300 2 372 39 39 VAL N N 122.424 0.300 1 373 40 40 ILE H H 8.354 0.030 1 374 40 40 ILE HA H 4.159 0.030 1 375 40 40 ILE HB H 1.825 0.030 1 376 40 40 ILE HD1 H 0.821 0.030 1 377 40 40 ILE HG12 H 1.475 0.030 2 378 40 40 ILE HG13 H 1.167 0.030 2 379 40 40 ILE HG2 H 0.862 0.030 1 380 40 40 ILE C C 176.043 0.300 1 381 40 40 ILE CA C 61.363 0.300 1 382 40 40 ILE CB C 38.627 0.300 1 383 40 40 ILE CD1 C 12.933 0.300 1 384 40 40 ILE CG1 C 27.424 0.300 1 385 40 40 ILE CG2 C 17.618 0.300 1 386 40 40 ILE N N 124.784 0.300 1 387 41 41 LYS H H 8.118 0.030 1 388 41 41 LYS HA H 4.342 0.030 1 389 41 41 LYS HB2 H 1.778 0.030 2 390 41 41 LYS HB3 H 1.737 0.030 2 391 41 41 LYS HD2 H 1.611 0.030 1 392 41 41 LYS HD3 H 1.611 0.030 1 393 41 41 LYS HE2 H 2.912 0.030 1 394 41 41 LYS HE3 H 2.912 0.030 1 395 41 41 LYS HG2 H 1.364 0.030 2 396 41 41 LYS HG3 H 1.311 0.030 2 397 41 41 LYS C C 175.165 0.300 1 398 41 41 LYS CA C 56.149 0.300 1 399 41 41 LYS CB C 33.701 0.300 1 400 41 41 LYS CD C 29.057 0.300 1 401 41 41 LYS CE C 41.934 0.300 1 402 41 41 LYS CG C 24.733 0.300 1 403 41 41 LYS N N 123.521 0.300 1 404 42 42 ARG H H 8.362 0.030 1 405 42 42 ARG HA H 4.577 0.030 1 406 42 42 ARG HB2 H 1.701 0.030 2 407 42 42 ARG HB3 H 1.795 0.030 2 408 42 42 ARG HD2 H 3.178 0.030 1 409 42 42 ARG HD3 H 3.178 0.030 1 410 42 42 ARG HG2 H 1.567 0.030 1 411 42 42 ARG HG3 H 1.567 0.030 1 412 42 42 ARG C C 176.173 0.300 1 413 42 42 ARG CA C 55.682 0.300 1 414 42 42 ARG CB C 31.326 0.300 1 415 42 42 ARG CD C 43.293 0.300 1 416 42 42 ARG CG C 27.595 0.300 1 417 43 43 LEU H H 8.444 0.030 1 418 43 43 LEU HA H 4.420 0.030 1 419 43 43 LEU HB2 H 1.584 0.030 2 420 43 43 LEU HB3 H 1.820 0.030 2 421 43 43 LEU HD1 H 0.859 0.030 1 422 43 43 LEU HD2 H 0.805 0.030 1 423 43 43 LEU HG H 1.560 0.030 1 424 43 43 LEU C C 178.131 0.300 1 425 43 43 LEU CA C 54.611 0.300 1 426 43 43 LEU CB C 42.336 0.300 1 427 43 43 LEU CD1 C 25.199 0.300 2 428 43 43 LEU CD2 C 22.944 0.300 2 429 43 43 LEU CG C 27.200 0.300 1 430 43 43 LEU N N 122.995 0.300 1 431 44 44 LYS H H 8.479 0.030 1 432 45 45 ASN HA H 4.642 0.030 1 433 45 45 ASN HB2 H 2.972 0.030 2 434 45 45 ASN HB3 H 2.829 0.030 2 435 45 45 ASN HD21 H 6.956 0.030 2 436 45 45 ASN HD22 H 7.525 0.030 2 437 45 45 ASN C C 175.875 0.300 1 438 45 45 ASN CA C 53.182 0.300 1 439 45 45 ASN CB C 38.181 0.300 1 440 45 45 ASN ND2 N 111.599 0.300 1 441 46 46 GLY H H 8.313 0.030 1 442 46 46 GLY HA2 H 3.769 0.030 2 443 46 46 GLY HA3 H 4.157 0.030 2 444 46 46 GLY C C 174.242 0.300 1 445 46 46 GLY CA C 45.278 0.300 1 446 46 46 GLY N N 108.623 0.300 1 447 47 47 GLU H H 8.123 0.030 1 448 47 47 GLU HA H 4.275 0.030 1 449 47 47 GLU HB2 H 2.024 0.030 1 450 47 47 GLU HB3 H 2.024 0.030 1 451 47 47 GLU HG2 H 2.222 0.030 2 452 47 47 GLU HG3 H 2.281 0.030 2 453 47 47 GLU C C 175.980 0.300 1 454 47 47 GLU CA C 56.740 0.300 1 455 47 47 GLU CB C 30.580 0.300 1 456 47 47 GLU CG C 36.491 0.300 1 457 47 47 GLU N N 120.913 0.300 1 458 48 48 GLU H H 8.630 0.030 1 459 48 48 GLU HA H 4.445 0.030 1 460 48 48 GLU HB2 H 1.979 0.030 1 461 48 48 GLU HB3 H 1.979 0.030 1 462 48 48 GLU HG2 H 2.376 0.030 2 463 48 48 GLU HG3 H 2.149 0.030 2 464 48 48 GLU C C 176.033 0.300 1 465 48 48 GLU CA C 56.262 0.300 1 466 48 48 GLU CB C 30.940 0.300 1 467 48 48 GLU CG C 36.599 0.300 1 468 48 48 GLU N N 122.014 0.300 1 469 49 49 LEU H H 8.559 0.030 1 470 49 49 LEU HA H 4.582 0.030 1 471 49 49 LEU HB2 H 1.640 0.030 1 472 49 49 LEU HB3 H 1.640 0.030 1 473 49 49 LEU HD1 H 0.853 0.030 1 474 49 49 LEU HD2 H 0.820 0.030 1 475 49 49 LEU HG H 1.606 0.030 1 476 49 49 LEU C C 176.015 0.300 1 477 49 49 LEU CA C 54.703 0.300 1 478 49 49 LEU CB C 42.465 0.300 1 479 49 49 LEU CD1 C 25.276 0.300 2 480 49 49 LEU CD2 C 23.814 0.300 2 481 49 49 LEU CG C 27.077 0.300 1 482 49 49 LEU N N 124.740 0.300 1 483 50 50 LYS H H 8.326 0.030 1 484 50 50 LYS HA H 4.771 0.030 1 485 50 50 LYS HB2 H 1.941 0.030 2 486 50 50 LYS HB3 H 1.793 0.030 2 487 50 50 LYS HD2 H 1.694 0.030 1 488 50 50 LYS HD3 H 1.694 0.030 1 489 50 50 LYS HE2 H 2.980 0.030 1 490 50 50 LYS HE3 H 2.980 0.030 1 491 50 50 LYS HG2 H 1.401 0.030 2 492 50 50 LYS HG3 H 1.451 0.030 2 493 50 50 LYS C C 175.804 0.300 1 494 50 50 LYS CA C 56.024 0.300 1 495 50 50 LYS CB C 34.446 0.300 1 496 50 50 LYS CD C 29.195 0.300 1 497 50 50 LYS CE C 42.227 0.300 1 498 50 50 LYS CG C 24.811 0.300 1 499 50 50 LYS N N 122.813 0.300 1 500 51 51 GLY H H 8.408 0.030 1 501 51 51 GLY HA2 H 4.142 0.030 2 502 51 51 GLY HA3 H 3.695 0.030 2 503 51 51 GLY C C 171.451 0.300 1 504 51 51 GLY CA C 44.070 0.300 1 505 51 51 GLY N N 110.313 0.300 1 506 52 52 ILE H H 8.268 0.030 1 507 52 52 ILE HA H 4.588 0.030 1 508 52 52 ILE HB H 1.954 0.030 1 509 52 52 ILE HD1 H 0.545 0.030 1 510 52 52 ILE HG12 H 1.105 0.030 2 511 52 52 ILE HG13 H 1.710 0.030 2 512 52 52 ILE HG2 H 0.682 0.030 1 513 52 52 ILE C C 173.909 0.300 1 514 52 52 ILE CA C 57.295 0.300 1 515 52 52 ILE CB C 36.417 0.300 1 516 52 52 ILE CD1 C 8.696 0.300 1 517 52 52 ILE CG1 C 26.488 0.300 1 518 52 52 ILE CG2 C 18.554 0.300 1 519 52 52 ILE N N 121.063 0.300 1 520 53 53 PHE H H 8.899 0.030 1 521 53 53 PHE HA H 5.593 0.030 1 522 53 53 PHE HB2 H 2.596 0.030 2 523 53 53 PHE HB3 H 2.799 0.030 2 524 53 53 PHE HD1 H 7.139 0.030 1 525 53 53 PHE HD2 H 7.139 0.030 1 526 53 53 PHE HE1 H 7.205 0.030 1 527 53 53 PHE HE2 H 7.205 0.030 1 528 53 53 PHE HZ H 7.166 0.030 1 529 53 53 PHE C C 176.050 0.300 1 530 53 53 PHE CA C 54.941 0.300 1 531 53 53 PHE CB C 43.007 0.300 1 532 53 53 PHE CD1 C 132.204 0.300 1 533 53 53 PHE CD2 C 132.204 0.300 1 534 53 53 PHE CE1 C 130.672 0.300 1 535 53 53 PHE CE2 C 130.672 0.300 1 536 53 53 PHE CZ C 128.985 0.300 1 537 53 53 PHE N N 122.615 0.300 1 538 54 54 ILE H H 9.106 0.030 1 539 54 54 ILE HA H 3.980 0.030 1 540 54 54 ILE HB H 2.178 0.030 1 541 54 54 ILE HD1 H 0.687 0.030 1 542 54 54 ILE HG12 H 0.938 0.030 2 543 54 54 ILE HG13 H 1.677 0.030 2 544 54 54 ILE HG2 H 0.610 0.030 1 545 54 54 ILE C C 176.489 0.300 1 546 54 54 ILE CA C 62.503 0.300 1 547 54 54 ILE CB C 36.968 0.300 1 548 54 54 ILE CD1 C 13.353 0.300 1 549 54 54 ILE CG1 C 28.193 0.300 1 550 54 54 ILE CG2 C 17.987 0.300 1 551 54 54 ILE N N 119.830 0.300 1 552 55 55 LYS H H 9.517 0.030 1 553 55 55 LYS HA H 4.420 0.030 1 554 55 55 LYS HB2 H 1.668 0.030 2 555 55 55 LYS HB3 H 1.534 0.030 2 556 55 55 LYS HD2 H 1.568 0.030 2 557 55 55 LYS HD3 H 1.670 0.030 2 558 55 55 LYS HE2 H 2.955 0.030 1 559 55 55 LYS HE3 H 2.955 0.030 1 560 55 55 LYS HG2 H 1.291 0.030 2 561 55 55 LYS HG3 H 1.391 0.030 2 562 55 55 LYS C C 175.067 0.300 1 563 55 55 LYS CA C 57.229 0.300 1 564 55 55 LYS CB C 33.878 0.300 1 565 55 55 LYS CD C 29.221 0.300 1 566 55 55 LYS CE C 42.119 0.300 1 567 55 55 LYS CG C 24.830 0.300 1 568 55 55 LYS N N 133.006 0.300 1 569 56 56 GLN H H 7.546 0.030 1 570 56 56 GLN HA H 4.486 0.030 1 571 56 56 GLN HB2 H 1.891 0.030 2 572 56 56 GLN HB3 H 1.931 0.030 2 573 56 56 GLN HE21 H 6.856 0.030 2 574 56 56 GLN HE22 H 7.525 0.030 2 575 56 56 GLN HG2 H 2.088 0.030 2 576 56 56 GLN HG3 H 2.272 0.030 2 577 56 56 GLN C C 172.996 0.300 1 578 56 56 GLN CA C 55.148 0.300 1 579 56 56 GLN CB C 32.507 0.300 1 580 56 56 GLN CG C 33.906 0.300 1 581 56 56 GLN N N 117.103 0.300 1 582 56 56 GLN NE2 N 111.865 0.300 1 583 57 57 VAL H H 8.567 0.030 1 584 57 57 VAL HA H 4.593 0.030 1 585 57 57 VAL HB H 1.852 0.030 1 586 57 57 VAL HG1 H 0.618 0.030 1 587 57 57 VAL HG2 H 0.618 0.030 1 588 57 57 VAL C C 175.980 0.300 1 589 57 57 VAL CA C 60.560 0.300 1 590 57 57 VAL CB C 33.745 0.300 1 591 57 57 VAL CG1 C 21.235 0.300 2 592 57 57 VAL CG2 C 21.398 0.300 2 593 57 57 VAL N N 124.002 0.300 1 594 58 58 LEU H H 8.776 0.030 1 595 58 58 LEU HA H 4.321 0.030 1 596 58 58 LEU HB2 H 1.564 0.030 1 597 58 58 LEU HB3 H 1.564 0.030 1 598 58 58 LEU HD1 H 0.930 0.030 1 599 58 58 LEU HD2 H 0.860 0.030 1 600 58 58 LEU HG H 1.626 0.030 1 601 58 58 LEU C C 178.630 0.300 1 602 58 58 LEU CA C 54.837 0.300 1 603 58 58 LEU CB C 41.632 0.300 1 604 58 58 LEU CD1 C 24.814 0.300 2 605 58 58 LEU CD2 C 23.313 0.300 2 606 58 58 LEU CG C 27.054 0.300 1 607 58 58 LEU N N 129.020 0.300 1 608 59 59 GLU H H 9.315 0.030 1 609 59 59 GLU HA H 3.959 0.030 1 610 59 59 GLU HB2 H 2.050 0.030 2 611 59 59 GLU HB3 H 1.998 0.030 2 612 59 59 GLU HG2 H 2.341 0.030 1 613 59 59 GLU HG3 H 2.341 0.030 1 614 59 59 GLU C C 176.752 0.300 1 615 59 59 GLU CA C 59.954 0.300 1 616 59 59 GLU CB C 29.672 0.300 1 617 59 59 GLU CG C 36.425 0.300 1 618 59 59 GLU N N 128.692 0.300 1 619 60 60 ASP H H 8.736 0.030 1 620 60 60 ASP HA H 4.676 0.030 1 621 60 60 ASP HB2 H 2.626 0.030 2 622 60 60 ASP HB3 H 2.825 0.030 2 623 60 60 ASP C C 174.603 0.300 1 624 60 60 ASP CA C 53.435 0.300 1 625 60 60 ASP CB C 39.231 0.300 1 626 60 60 ASP N N 117.324 0.300 1 627 61 61 SER H H 7.594 0.030 1 628 61 61 SER HA H 4.841 0.030 1 629 61 61 SER HB2 H 3.816 0.030 2 630 61 61 SER HB3 H 4.190 0.030 2 631 61 61 SER CA C 57.172 0.300 1 632 61 61 SER CB C 64.057 0.300 1 633 61 61 SER N N 114.153 0.300 1 634 62 62 PRO HA H 4.293 0.030 1 635 62 62 PRO HB2 H 1.897 0.030 2 636 62 62 PRO HB3 H 2.709 0.030 2 637 62 62 PRO HD2 H 4.098 0.030 2 638 62 62 PRO HD3 H 3.817 0.030 2 639 62 62 PRO HG2 H 2.072 0.030 2 640 62 62 PRO HG3 H 2.313 0.030 2 641 62 62 PRO C C 179.245 0.300 1 642 62 62 PRO CA C 66.131 0.300 1 643 62 62 PRO CB C 32.438 0.300 1 644 62 62 PRO CD C 50.181 0.300 1 645 62 62 PRO CG C 28.177 0.300 1 646 63 63 ALA H H 8.271 0.030 1 647 63 63 ALA HA H 4.054 0.030 1 648 63 63 ALA HB H 1.223 0.030 1 649 63 63 ALA C C 180.649 0.300 1 650 63 63 ALA CA C 54.809 0.300 1 651 63 63 ALA CB C 20.048 0.300 1 652 63 63 ALA N N 115.583 0.300 1 653 64 64 GLY H H 8.560 0.030 1 654 64 64 GLY HA2 H 4.333 0.030 2 655 64 64 GLY HA3 H 3.669 0.030 2 656 64 64 GLY C C 177.016 0.300 1 657 64 64 GLY CA C 47.160 0.300 1 658 64 64 GLY N N 112.016 0.300 1 659 65 65 LYS H H 8.421 0.030 1 660 65 65 LYS HA H 4.225 0.030 1 661 65 65 LYS HB2 H 1.893 0.030 2 662 65 65 LYS HB3 H 2.004 0.030 2 663 65 65 LYS HD2 H 1.629 0.030 2 664 65 65 LYS HD3 H 1.733 0.030 2 665 65 65 LYS HE2 H 2.917 0.030 1 666 65 65 LYS HE3 H 2.917 0.030 1 667 65 65 LYS HG2 H 1.612 0.030 2 668 65 65 LYS HG3 H 1.682 0.030 2 669 65 65 LYS C C 178.034 0.300 1 670 65 65 LYS CA C 58.543 0.300 1 671 65 65 LYS CB C 32.704 0.300 1 672 65 65 LYS CD C 29.380 0.300 1 673 65 65 LYS CE C 41.947 0.300 1 674 65 65 LYS CG C 26.047 0.300 1 675 65 65 LYS N N 119.853 0.300 1 676 66 66 THR H H 7.256 0.030 1 677 66 66 THR HA H 4.242 0.030 1 678 66 66 THR HB H 4.307 0.030 1 679 66 66 THR HG2 H 1.491 0.030 1 680 66 66 THR C C 175.762 0.300 1 681 66 66 THR CA C 63.587 0.300 1 682 66 66 THR CB C 70.297 0.300 1 683 66 66 THR CG2 C 21.995 0.300 1 684 66 66 THR N N 106.490 0.300 1 685 67 67 ASN H H 7.809 0.030 1 686 67 67 ASN HA H 4.526 0.030 1 687 67 67 ASN HB2 H 2.806 0.030 2 688 67 67 ASN HB3 H 3.125 0.030 2 689 67 67 ASN HD21 H 6.836 0.030 2 690 67 67 ASN HD22 H 7.513 0.030 2 691 67 67 ASN C C 174.628 0.300 1 692 67 67 ASN CA C 54.799 0.300 1 693 67 67 ASN CB C 38.102 0.300 1 694 67 67 ASN N N 115.922 0.300 1 695 67 67 ASN ND2 N 112.597 0.300 1 696 68 68 ALA H H 7.978 0.030 1 697 68 68 ALA HA H 4.582 0.030 1 698 68 68 ALA HB H 1.340 0.030 1 699 68 68 ALA C C 176.524 0.300 1 700 68 68 ALA CA C 52.325 0.300 1 701 68 68 ALA CB C 21.935 0.300 1 702 68 68 ALA N N 119.123 0.300 1 703 69 69 LEU H H 8.004 0.030 1 704 69 69 LEU HA H 4.656 0.030 1 705 69 69 LEU HB2 H 1.566 0.030 2 706 69 69 LEU HB3 H 1.018 0.030 2 707 69 69 LEU HD1 H 0.683 0.030 1 708 69 69 LEU HD2 H 0.502 0.030 1 709 69 69 LEU HG H 1.433 0.030 1 710 69 69 LEU C C 174.972 0.300 1 711 69 69 LEU CA C 53.210 0.300 1 712 69 69 LEU CB C 45.393 0.300 1 713 69 69 LEU CD1 C 24.439 0.300 2 714 69 69 LEU CD2 C 26.310 0.300 2 715 69 69 LEU CG C 26.224 0.300 1 716 69 69 LEU N N 118.897 0.300 1 717 70 70 LYS H H 8.659 0.030 1 718 70 70 LYS HA H 4.582 0.030 1 719 70 70 LYS HB2 H 1.739 0.030 2 720 70 70 LYS HB3 H 1.859 0.030 2 721 70 70 LYS HD2 H 1.634 0.030 1 722 70 70 LYS HD3 H 1.634 0.030 1 723 70 70 LYS HE2 H 2.917 0.030 2 724 70 70 LYS HE3 H 3.003 0.030 2 725 70 70 LYS HG2 H 1.274 0.030 2 726 70 70 LYS HG3 H 1.376 0.030 2 727 70 70 LYS C C 175.278 0.300 1 728 70 70 LYS CA C 54.070 0.300 1 729 70 70 LYS CB C 35.774 0.300 1 730 70 70 LYS CD C 28.945 0.300 1 731 70 70 LYS CE C 42.408 0.300 1 732 70 70 LYS CG C 24.056 0.300 1 733 70 70 LYS N N 122.028 0.300 1 734 71 71 THR H H 8.427 0.030 1 735 71 71 THR HA H 3.468 0.030 1 736 71 71 THR HB H 3.931 0.030 1 737 71 71 THR HG2 H 1.271 0.030 1 738 71 71 THR C C 175.295 0.300 1 739 71 71 THR CA C 65.365 0.300 1 740 71 71 THR CB C 69.292 0.300 1 741 71 71 THR CG2 C 21.831 0.300 1 742 71 71 THR N N 116.310 0.300 1 743 72 72 GLY H H 9.176 0.030 1 744 72 72 GLY HA2 H 3.717 0.030 2 745 72 72 GLY HA3 H 4.497 0.030 2 746 72 72 GLY C C 174.295 0.300 1 747 72 72 GLY CA C 44.946 0.300 1 748 72 72 GLY N N 116.339 0.300 1 749 73 73 ASP H H 8.025 0.030 1 750 73 73 ASP HA H 5.029 0.030 1 751 73 73 ASP HB2 H 2.371 0.030 2 752 73 73 ASP HB3 H 2.717 0.030 2 753 73 73 ASP C C 175.190 0.300 1 754 73 73 ASP CA C 55.941 0.300 1 755 73 73 ASP CB C 41.096 0.300 1 756 73 73 ASP N N 121.221 0.300 1 757 74 74 LYS H H 8.944 0.030 1 758 74 74 LYS HA H 4.374 0.030 1 759 74 74 LYS HB2 H 1.075 0.030 2 760 74 74 LYS HB3 H 1.175 0.030 2 761 74 74 LYS HD2 H 0.944 0.030 2 762 74 74 LYS HD3 H 1.003 0.030 2 763 74 74 LYS HE2 H 2.159 0.030 2 764 74 74 LYS HE3 H 2.207 0.030 2 765 74 74 LYS HG2 H 0.453 0.030 2 766 74 74 LYS HG3 H 0.583 0.030 2 767 74 74 LYS C C 175.997 0.300 1 768 74 74 LYS CA C 55.160 0.300 1 769 74 74 LYS CB C 35.053 0.300 1 770 74 74 LYS CD C 29.169 0.300 1 771 74 74 LYS CE C 41.963 0.300 1 772 74 74 LYS CG C 24.707 0.300 1 773 74 74 LYS N N 123.074 0.300 1 774 75 75 ILE H H 8.525 0.030 1 775 75 75 ILE HA H 4.250 0.030 1 776 75 75 ILE HB H 1.434 0.030 1 777 75 75 ILE HD1 H 0.500 0.030 1 778 75 75 ILE HG12 H 0.590 0.030 2 779 75 75 ILE HG13 H 1.429 0.030 2 780 75 75 ILE HG2 H 0.683 0.030 1 781 75 75 ILE C C 174.716 0.300 1 782 75 75 ILE CA C 60.695 0.300 1 783 75 75 ILE CB C 38.162 0.300 1 784 75 75 ILE CD1 C 13.633 0.300 1 785 75 75 ILE CG1 C 26.539 0.300 1 786 75 75 ILE CG2 C 19.864 0.300 1 787 75 75 ILE N N 124.590 0.300 1 788 76 76 LEU H H 9.107 0.030 1 789 76 76 LEU HA H 4.067 0.030 1 790 76 76 LEU HB2 H 1.443 0.030 1 791 76 76 LEU HB3 H 1.443 0.030 1 792 76 76 LEU HD1 H 0.710 0.030 1 793 76 76 LEU HD2 H 0.626 0.030 1 794 76 76 LEU HG H 1.375 0.030 1 795 76 76 LEU C C 177.630 0.300 1 796 76 76 LEU CA C 56.322 0.300 1 797 76 76 LEU CB C 42.403 0.300 1 798 76 76 LEU CD1 C 24.691 0.300 2 799 76 76 LEU CD2 C 22.503 0.300 2 800 76 76 LEU CG C 27.797 0.300 1 801 76 76 LEU N N 126.530 0.300 1 802 77 77 GLU H H 7.547 0.030 1 803 77 77 GLU HA H 5.062 0.030 1 804 77 77 GLU HB2 H 1.953 0.030 2 805 77 77 GLU HB3 H 1.646 0.030 2 806 77 77 GLU HG2 H 1.840 0.030 1 807 77 77 GLU HG3 H 1.840 0.030 1 808 77 77 GLU C C 174.242 0.300 1 809 77 77 GLU CA C 54.810 0.300 1 810 77 77 GLU CB C 34.563 0.300 1 811 77 77 GLU CG C 36.997 0.300 1 812 77 77 GLU N N 117.083 0.300 1 813 78 78 VAL H H 8.229 0.030 1 814 78 78 VAL HA H 4.821 0.030 1 815 78 78 VAL HB H 1.569 0.030 1 816 78 78 VAL HG1 H 0.595 0.030 1 817 78 78 VAL HG2 H 0.349 0.030 1 818 78 78 VAL C C 174.769 0.300 1 819 78 78 VAL CA C 59.534 0.300 1 820 78 78 VAL CB C 34.464 0.300 1 821 78 78 VAL CG1 C 20.189 0.300 2 822 78 78 VAL CG2 C 22.459 0.300 2 823 78 78 VAL N N 120.900 0.300 1 824 79 79 SER H H 10.019 0.030 1 825 79 79 SER HA H 3.944 0.030 1 826 79 79 SER HB2 H 4.213 0.030 2 827 79 79 SER HB3 H 3.694 0.030 2 828 79 79 SER C C 174.541 0.300 1 829 79 79 SER CA C 59.599 0.300 1 830 79 79 SER CB C 63.828 0.300 1 831 79 79 SER N N 125.742 0.300 1 832 80 80 GLY H H 8.357 0.030 1 833 80 80 GLY HA2 H 3.573 0.030 2 834 80 80 GLY HA3 H 4.123 0.030 2 835 80 80 GLY C C 173.961 0.300 1 836 80 80 GLY CA C 45.088 0.300 1 837 80 80 GLY N N 104.777 0.300 1 838 81 81 VAL H H 8.236 0.030 1 839 81 81 VAL HA H 3.961 0.030 1 840 81 81 VAL HB H 2.158 0.030 1 841 81 81 VAL HG1 H 0.881 0.030 1 842 81 81 VAL HG2 H 0.760 0.030 1 843 81 81 VAL C C 174.769 0.300 1 844 81 81 VAL CA C 62.181 0.300 1 845 81 81 VAL CB C 31.702 0.300 1 846 81 81 VAL CG1 C 21.128 0.300 2 847 81 81 VAL CG2 C 20.894 0.300 2 848 81 81 VAL N N 123.490 0.300 1 849 82 82 ASP H H 8.553 0.030 1 850 82 82 ASP HA H 4.430 0.030 1 851 82 82 ASP HB2 H 2.731 0.030 1 852 82 82 ASP HB3 H 2.731 0.030 1 853 82 82 ASP C C 177.103 0.300 1 854 82 82 ASP CA C 55.172 0.300 1 855 82 82 ASP CB C 41.920 0.300 1 856 82 82 ASP N N 128.101 0.300 1 857 83 83 LEU H H 8.663 0.030 1 858 83 83 LEU HA H 4.610 0.030 1 859 83 83 LEU HB2 H 1.249 0.030 2 860 83 83 LEU HB3 H 1.643 0.030 2 861 83 83 LEU HD1 H 0.650 0.030 1 862 83 83 LEU HD2 H 0.560 0.030 1 863 83 83 LEU HG H 1.654 0.030 1 864 83 83 LEU C C 178.841 0.300 1 865 83 83 LEU CA C 53.457 0.300 1 866 83 83 LEU CB C 41.998 0.300 1 867 83 83 LEU CD1 C 25.805 0.300 2 868 83 83 LEU CD2 C 22.694 0.300 2 869 83 83 LEU CG C 26.039 0.300 1 870 83 83 LEU N N 126.643 0.300 1 871 84 84 GLN H H 8.978 0.030 1 872 84 84 GLN HA H 4.022 0.030 1 873 84 84 GLN HB2 H 2.066 0.030 2 874 84 84 GLN HB3 H 2.213 0.030 2 875 84 84 GLN HE21 H 6.819 0.030 2 876 84 84 GLN HE22 H 8.369 0.030 2 877 84 84 GLN HG2 H 2.061 0.030 2 878 84 84 GLN HG3 H 2.785 0.030 2 879 84 84 GLN C C 176.629 0.300 1 880 84 84 GLN CA C 60.300 0.300 1 881 84 84 GLN CB C 29.662 0.300 1 882 84 84 GLN CG C 36.194 0.300 1 883 84 84 GLN N N 123.010 0.300 1 884 84 84 GLN NE2 N 113.966 0.300 1 885 85 85 ASN H H 8.548 0.030 1 886 85 85 ASN HA H 4.980 0.030 1 887 85 85 ASN HB2 H 2.401 0.030 2 888 85 85 ASN HB3 H 2.901 0.030 2 889 85 85 ASN HD21 H 7.637 0.030 2 890 85 85 ASN HD22 H 6.845 0.030 2 891 85 85 ASN C C 174.242 0.300 1 892 85 85 ASN CA C 51.838 0.300 1 893 85 85 ASN CB C 39.643 0.300 1 894 85 85 ASN N N 115.303 0.300 1 895 85 85 ASN ND2 N 114.163 0.300 1 896 86 86 ALA H H 6.774 0.030 1 897 86 86 ALA HA H 4.500 0.030 1 898 86 86 ALA HB H 1.395 0.030 1 899 86 86 ALA C C 177.331 0.300 1 900 86 86 ALA CA C 51.797 0.300 1 901 86 86 ALA CB C 21.179 0.300 1 902 86 86 ALA N N 122.108 0.300 1 903 87 87 SER H H 8.667 0.030 1 904 87 87 SER HA H 4.668 0.030 1 905 87 87 SER HB2 H 4.017 0.030 2 906 87 87 SER HB3 H 4.411 0.030 2 907 87 87 SER C C 174.804 0.300 1 908 87 87 SER CA C 56.672 0.300 1 909 87 87 SER CB C 65.637 0.300 1 910 87 87 SER N N 115.713 0.300 1 911 88 88 HIS H H 9.088 0.030 1 912 88 88 HIS HA H 3.894 0.030 1 913 88 88 HIS HB2 H 3.352 0.030 2 914 88 88 HIS HB3 H 3.175 0.030 2 915 88 88 HIS HD2 H 6.745 0.030 1 916 88 88 HIS HE1 H 7.729 0.030 1 917 88 88 HIS C C 177.121 0.300 1 918 88 88 HIS CA C 61.829 0.300 1 919 88 88 HIS CB C 30.677 0.300 1 920 88 88 HIS CE1 C 138.170 0.300 1 921 88 88 HIS N N 121.317 0.300 1 922 89 89 SER H H 8.599 0.030 1 923 89 89 SER HA H 4.083 0.030 1 924 89 89 SER HB2 H 3.934 0.030 1 925 89 89 SER HB3 H 3.934 0.030 1 926 89 89 SER C C 177.454 0.300 1 927 89 89 SER CA C 61.688 0.300 1 928 89 89 SER CB C 62.309 0.300 1 929 89 89 SER N N 111.861 0.300 1 930 90 90 GLU H H 7.655 0.030 1 931 90 90 GLU HA H 3.965 0.030 1 932 90 90 GLU HB2 H 1.883 0.030 2 933 90 90 GLU HB3 H 2.299 0.030 2 934 90 90 GLU HG2 H 2.243 0.030 2 935 90 90 GLU HG3 H 2.302 0.030 2 936 90 90 GLU C C 179.543 0.300 1 937 90 90 GLU CA C 58.853 0.300 1 938 90 90 GLU CB C 30.052 0.300 1 939 90 90 GLU CG C 37.172 0.300 1 940 90 90 GLU N N 122.178 0.300 1 941 91 91 ALA H H 8.207 0.030 1 942 91 91 ALA HA H 3.966 0.030 1 943 91 91 ALA HB H 1.322 0.030 1 944 91 91 ALA C C 178.244 0.300 1 945 91 91 ALA CA C 54.938 0.300 1 946 91 91 ALA CB C 19.713 0.300 1 947 91 91 ALA N N 123.198 0.300 1 948 92 92 VAL H H 8.261 0.030 1 949 92 92 VAL HA H 3.404 0.030 1 950 92 92 VAL HB H 2.088 0.030 1 951 92 92 VAL HG1 H 0.939 0.030 1 952 92 92 VAL HG2 H 0.861 0.030 1 953 92 92 VAL C C 179.543 0.300 1 954 92 92 VAL CA C 67.062 0.300 1 955 92 92 VAL CB C 31.852 0.300 1 956 92 92 VAL CG1 C 21.287 0.300 2 957 92 92 VAL CG2 C 22.876 0.300 2 958 92 92 VAL N N 117.601 0.300 1 959 93 93 GLU H H 7.763 0.030 1 960 93 93 GLU HA H 3.960 0.030 1 961 93 93 GLU HB2 H 2.019 0.030 1 962 93 93 GLU HB3 H 2.019 0.030 1 963 93 93 GLU HG2 H 2.325 0.030 2 964 93 93 GLU HG3 H 2.284 0.030 2 965 93 93 GLU C C 177.647 0.300 1 966 93 93 GLU CA C 58.945 0.300 1 967 93 93 GLU CB C 29.310 0.300 1 968 93 93 GLU CG C 35.812 0.300 1 969 93 93 GLU N N 119.261 0.300 1 970 94 94 ALA H H 7.980 0.030 1 971 94 94 ALA HA H 4.075 0.030 1 972 94 94 ALA HB H 1.399 0.030 1 973 94 94 ALA C C 180.350 0.300 1 974 94 94 ALA CA C 54.810 0.300 1 975 94 94 ALA CB C 17.981 0.300 1 976 94 94 ALA N N 121.246 0.300 1 977 95 95 ILE H H 7.890 0.030 1 978 95 95 ILE HA H 3.469 0.030 1 979 95 95 ILE HB H 1.876 0.030 1 980 95 95 ILE HD1 H 0.807 0.030 1 981 95 95 ILE HG12 H 0.808 0.030 2 982 95 95 ILE HG13 H 2.002 0.030 2 983 95 95 ILE HG2 H 0.976 0.030 1 984 95 95 ILE C C 177.682 0.300 1 985 95 95 ILE CA C 65.587 0.300 1 986 95 95 ILE CB C 38.434 0.300 1 987 95 95 ILE CD1 C 13.436 0.300 1 988 95 95 ILE CG1 C 30.634 0.300 1 989 95 95 ILE CG2 C 17.805 0.300 1 990 95 95 ILE N N 117.031 0.300 1 991 96 96 LYS H H 7.952 0.030 1 992 96 96 LYS HA H 4.099 0.030 1 993 96 96 LYS HB2 H 1.902 0.030 1 994 96 96 LYS HB3 H 1.902 0.030 1 995 96 96 LYS HD2 H 1.644 0.030 2 996 96 96 LYS HD3 H 1.703 0.030 2 997 96 96 LYS HE2 H 2.947 0.030 1 998 96 96 LYS HE3 H 2.947 0.030 1 999 96 96 LYS HG2 H 1.412 0.030 2 1000 96 96 LYS HG3 H 1.558 0.030 2 1001 96 96 LYS C C 178.297 0.300 1 1002 96 96 LYS CA C 59.366 0.300 1 1003 96 96 LYS CB C 32.560 0.300 1 1004 96 96 LYS CD C 29.553 0.300 1 1005 96 96 LYS CE C 42.053 0.300 1 1006 96 96 LYS CG C 24.719 0.300 1 1007 96 96 LYS N N 120.129 0.300 1 1008 97 97 ASN H H 7.876 0.030 1 1009 97 97 ASN HA H 4.691 0.030 1 1010 97 97 ASN HB2 H 2.933 0.030 2 1011 97 97 ASN HB3 H 2.691 0.030 2 1012 97 97 ASN HD21 H 6.995 0.030 2 1013 97 97 ASN HD22 H 7.554 0.030 2 1014 97 97 ASN C C 175.155 0.300 1 1015 97 97 ASN CA C 53.192 0.300 1 1016 97 97 ASN CB C 38.947 0.300 1 1017 97 97 ASN N N 113.847 0.300 1 1018 97 97 ASN ND2 N 113.645 0.300 1 1019 98 98 ALA H H 7.068 0.030 1 1020 98 98 ALA HA H 4.201 0.030 1 1021 98 98 ALA HB H 1.524 0.030 1 1022 98 98 ALA C C 177.840 0.300 1 1023 98 98 ALA CA C 53.131 0.300 1 1024 98 98 ALA CB C 19.993 0.300 1 1025 98 98 ALA N N 123.132 0.300 1 1026 99 99 GLY H H 8.219 0.030 1 1027 99 99 GLY HA2 H 3.717 0.030 2 1028 99 99 GLY HA3 H 4.002 0.030 2 1029 99 99 GLY C C 171.381 0.300 1 1030 99 99 GLY CA C 44.439 0.300 1 1031 99 99 GLY N N 109.158 0.300 1 1032 100 100 ASN H H 8.005 0.030 1 1033 100 100 ASN HA H 5.027 0.030 1 1034 100 100 ASN HB2 H 2.605 0.030 2 1035 100 100 ASN HB3 H 2.824 0.030 2 1036 100 100 ASN HD21 H 7.555 0.030 2 1037 100 100 ASN HD22 H 6.949 0.030 2 1038 100 100 ASN C C 173.849 0.300 1 1039 100 100 ASN CA C 49.952 0.300 1 1040 100 100 ASN CB C 41.737 0.300 1 1041 100 100 ASN N N 117.585 0.300 1 1042 100 100 ASN ND2 N 112.147 0.300 1 1043 101 101 PRO HA H 4.871 0.030 1 1044 101 101 PRO HB2 H 1.080 0.030 2 1045 101 101 PRO HB3 H 0.469 0.030 2 1046 101 101 PRO HD2 H 3.590 0.030 2 1047 101 101 PRO HD3 H 3.161 0.030 2 1048 101 101 PRO HG2 H 1.358 0.030 2 1049 101 101 PRO HG3 H 1.470 0.030 2 1050 101 101 PRO C C 175.453 0.300 1 1051 101 101 PRO CA C 62.800 0.300 1 1052 101 101 PRO CB C 33.063 0.300 1 1053 101 101 PRO CD C 49.796 0.300 1 1054 101 101 PRO CG C 24.184 0.300 1 1055 102 102 VAL H H 8.908 0.030 1 1056 102 102 VAL HA H 3.564 0.030 1 1057 102 102 VAL HB H 1.936 0.030 1 1058 102 102 VAL HG1 H 0.464 0.030 1 1059 102 102 VAL HG2 H 0.921 0.030 1 1060 102 102 VAL C C 174.839 0.300 1 1061 102 102 VAL CA C 62.318 0.300 1 1062 102 102 VAL CB C 32.143 0.300 1 1063 102 102 VAL CG1 C 22.557 0.300 2 1064 102 102 VAL CG2 C 22.122 0.300 2 1065 102 102 VAL N N 121.346 0.300 1 1066 103 103 VAL H H 7.564 0.030 1 1067 103 103 VAL HA H 4.591 0.030 1 1068 103 103 VAL HB H 1.841 0.030 1 1069 103 103 VAL HG1 H 0.760 0.030 1 1070 103 103 VAL HG2 H 0.752 0.030 1 1071 103 103 VAL C C 175.875 0.300 1 1072 103 103 VAL CA C 61.683 0.300 1 1073 103 103 VAL CB C 32.562 0.300 1 1074 103 103 VAL CG1 C 21.807 0.300 2 1075 103 103 VAL CG2 C 20.806 0.300 2 1076 103 103 VAL N N 126.716 0.300 1 1077 104 104 PHE H H 9.449 0.030 1 1078 104 104 PHE HA H 5.184 0.030 1 1079 104 104 PHE HB2 H 3.041 0.030 2 1080 104 104 PHE HB3 H 2.833 0.030 2 1081 104 104 PHE HD1 H 7.101 0.030 1 1082 104 104 PHE HD2 H 7.101 0.030 1 1083 104 104 PHE HE1 H 6.920 0.030 1 1084 104 104 PHE HE2 H 6.920 0.030 1 1085 104 104 PHE HZ H 6.889 0.030 1 1086 104 104 PHE C C 175.155 0.300 1 1087 104 104 PHE CA C 56.802 0.300 1 1088 104 104 PHE CB C 42.144 0.300 1 1089 104 104 PHE CD1 C 130.825 0.300 1 1090 104 104 PHE CD2 C 130.825 0.300 1 1091 104 104 PHE CE1 C 130.402 0.300 1 1092 104 104 PHE CE2 C 130.402 0.300 1 1093 104 104 PHE CZ C 128.215 0.300 1 1094 104 104 PHE N N 127.603 0.300 1 1095 105 105 ILE H H 8.299 0.030 1 1096 105 105 ILE HA H 5.159 0.030 1 1097 105 105 ILE HB H 1.744 0.030 1 1098 105 105 ILE HD1 H 0.686 0.030 1 1099 105 105 ILE HG12 H 1.053 0.030 2 1100 105 105 ILE HG13 H 1.428 0.030 2 1101 105 105 ILE HG2 H 0.807 0.030 1 1102 105 105 ILE C C 176.629 0.300 1 1103 105 105 ILE CA C 61.059 0.300 1 1104 105 105 ILE CB C 37.307 0.300 1 1105 105 105 ILE CD1 C 12.197 0.300 1 1106 105 105 ILE CG1 C 27.231 0.300 1 1107 105 105 ILE CG2 C 18.060 0.300 1 1108 105 105 ILE N N 120.621 0.300 1 1109 106 106 VAL H H 9.040 0.030 1 1110 106 106 VAL HA H 5.673 0.030 1 1111 106 106 VAL HB H 2.018 0.030 1 1112 106 106 VAL HG1 H 0.859 0.030 1 1113 106 106 VAL HG2 H 0.760 0.030 1 1114 106 106 VAL C C 174.839 0.300 1 1115 106 106 VAL CA C 58.283 0.300 1 1116 106 106 VAL CB C 36.552 0.300 1 1117 106 106 VAL CG1 C 22.149 0.300 2 1118 106 106 VAL CG2 C 18.939 0.300 2 1119 106 106 VAL N N 120.629 0.300 1 1120 107 107 GLN H H 8.813 0.030 1 1121 107 107 GLN HA H 4.740 0.030 1 1122 107 107 GLN HB2 H 1.833 0.030 2 1123 107 107 GLN HB3 H 2.245 0.030 2 1124 107 107 GLN HE21 H 6.682 0.030 2 1125 107 107 GLN HE22 H 7.780 0.030 2 1126 107 107 GLN HG2 H 2.018 0.030 2 1127 107 107 GLN HG3 H 2.211 0.030 2 1128 107 107 GLN C C 174.892 0.300 1 1129 107 107 GLN CA C 55.049 0.300 1 1130 107 107 GLN CB C 34.881 0.300 1 1131 107 107 GLN CG C 35.315 0.300 1 1132 107 107 GLN N N 116.369 0.300 1 1133 107 107 GLN NE2 N 110.907 0.300 1 1134 108 108 SER H H 9.137 0.030 1 1135 108 108 SER HA H 5.334 0.030 1 1136 108 108 SER HB2 H 3.558 0.030 2 1137 108 108 SER HB3 H 4.006 0.030 2 1138 108 108 SER C C 174.418 0.300 1 1139 108 108 SER CA C 57.443 0.300 1 1140 108 108 SER CB C 65.064 0.300 1 1141 108 108 SER N N 117.492 0.300 1 1142 109 109 LEU H H 8.997 0.030 1 1143 109 109 LEU HA H 3.948 0.030 1 1144 109 109 LEU HB2 H 1.251 0.030 1 1145 109 109 LEU HB3 H 1.251 0.030 1 1146 109 109 LEU HD1 H 0.314 0.030 1 1147 109 109 LEU HD2 H 0.084 0.030 1 1148 109 109 LEU HG H 1.013 0.030 1 1149 109 109 LEU C C 177.735 0.300 1 1150 109 109 LEU CA C 55.587 0.300 1 1151 109 109 LEU CB C 42.182 0.300 1 1152 109 109 LEU CD1 C 24.062 0.300 2 1153 109 109 LEU CD2 C 23.801 0.300 2 1154 109 109 LEU CG C 26.511 0.300 1 1155 109 109 LEU N N 127.890 0.300 1 1156 110 110 SER H H 8.601 0.030 1 1157 110 110 SER HA H 4.469 0.030 1 1158 110 110 SER HB2 H 3.591 0.030 2 1159 110 110 SER HB3 H 3.639 0.030 2 1160 110 110 SER C C 174.235 0.300 1 1161 110 110 SER CA C 57.818 0.300 1 1162 110 110 SER CB C 64.032 0.300 1 1163 110 110 SER N N 120.039 0.300 1 1164 111 111 SER H H 7.293 0.030 1 1165 111 111 SER HA H 4.526 0.030 1 1166 111 111 SER HB2 H 3.782 0.030 2 1167 111 111 SER HB3 H 3.838 0.030 2 1168 111 111 SER C C 174.084 0.300 1 1169 111 111 SER CA C 58.077 0.300 1 1170 111 111 SER CB C 63.828 0.300 1 1171 112 112 THR H H 8.116 0.030 1 1172 112 112 THR HA H 4.558 0.030 1 1173 112 112 THR HB H 4.078 0.030 1 1174 112 112 THR HG2 H 1.196 0.030 1 1175 112 112 THR C C 172.532 0.300 1 1176 112 112 THR CA C 59.667 0.300 1 1177 112 112 THR CB C 69.792 0.300 1 1178 112 112 THR CG2 C 21.433 0.300 1 1179 112 112 THR N N 117.891 0.300 1 1180 113 113 PRO HA H 4.301 0.030 1 1181 113 113 PRO HB2 H 2.125 0.030 2 1182 113 113 PRO HB3 H 1.787 0.030 2 1183 113 113 PRO HD2 H 3.628 0.030 2 1184 113 113 PRO HD3 H 3.753 0.030 2 1185 113 113 PRO HG2 H 1.849 0.030 2 1186 113 113 PRO HG3 H 1.947 0.030 2 1187 113 113 PRO C C 176.384 0.300 1 1188 113 113 PRO CA C 62.983 0.300 1 1189 113 113 PRO CB C 32.034 0.300 1 1190 113 113 PRO CD C 50.930 0.300 1 1191 113 113 PRO CG C 27.283 0.300 1 1192 114 114 ARG H H 8.368 0.030 1 1193 114 114 ARG HA H 4.309 0.030 1 1194 114 114 ARG HB2 H 1.697 0.030 2 1195 114 114 ARG HB3 H 1.761 0.030 2 1196 114 114 ARG HD2 H 3.157 0.030 1 1197 114 114 ARG HD3 H 3.157 0.030 1 1198 114 114 ARG HG2 H 1.589 0.030 1 1199 114 114 ARG HG3 H 1.589 0.030 1 1200 114 114 ARG C C 175.892 0.300 1 1201 114 114 ARG CA C 55.814 0.300 1 1202 114 114 ARG CB C 31.078 0.300 1 1203 114 114 ARG CD C 43.408 0.300 1 1204 114 114 ARG CG C 27.132 0.300 1 1205 114 114 ARG N N 121.900 0.300 1 1206 115 115 VAL H H 8.244 0.030 1 1207 115 115 VAL HA H 4.069 0.030 1 1208 115 115 VAL HB H 1.968 0.030 1 1209 115 115 VAL HG1 H 0.877 0.030 1 1210 115 115 VAL HG2 H 0.835 0.030 1 1211 115 115 VAL C C 175.611 0.300 1 1212 115 115 VAL CA C 62.300 0.300 1 1213 115 115 VAL CB C 32.689 0.300 1 1214 115 115 VAL CG1 C 21.123 0.300 2 1215 115 115 VAL CG2 C 21.062 0.300 2 1216 115 115 VAL N N 122.800 0.300 1 1217 116 116 ILE H H 8.235 0.030 1 1218 116 116 ILE HA H 4.479 0.030 1 1219 116 116 ILE HB H 1.881 0.030 1 1220 116 116 ILE HD1 H 0.835 0.030 1 1221 116 116 ILE HG12 H 1.490 0.030 2 1222 116 116 ILE HG13 H 1.118 0.030 2 1223 116 116 ILE HG2 H 0.963 0.030 1 1224 116 116 ILE C C 173.691 0.300 1 1225 116 116 ILE CA C 58.182 0.300 1 1226 116 116 ILE CB C 38.590 0.300 1 1227 116 116 ILE CD1 C 12.617 0.300 1 1228 116 116 ILE CG1 C 26.810 0.300 1 1229 116 116 ILE CG2 C 17.163 0.300 1 1230 116 116 ILE N N 127.375 0.300 1 1231 117 117 PRO HA H 4.189 0.030 1 1232 117 117 PRO HB2 H 2.222 0.030 2 1233 117 117 PRO HB3 H 1.884 0.030 2 1234 117 117 PRO HD2 H 3.692 0.030 2 1235 117 117 PRO HD3 H 3.847 0.030 2 1236 117 117 PRO HG2 H 2.008 0.030 2 1237 117 117 PRO HG3 H 1.916 0.030 2 1238 117 117 PRO CB C 32.182 0.300 1 1239 117 117 PRO CD C 50.719 0.300 1 1240 117 117 PRO CG C 27.244 0.300 1 stop_ save_